| 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 | 35.4 | Very low | 37.2 | Very low | 244 Ų | 244 | 172.3 Ų | 172.3 | 100% | 1.202 | 88% | 0.876 | S | S | * | * | 0 | 148.5 | 0 | -75.1 | 163.7 | 61.7 | 0 | 0 | 109.1 | |||||
| 2 | L | 36.4 | Very low | 37.1 | Very low | 163 Ų | 163 | 167.8 Ų | 167.8 | 85% | 0.853 | 87% | 0.872 | S | S | * | * | trans | -84.5 | 155.1 | -174.8 | -58.2 | 106.5 | 0 | 0 | 0 | 112.8 | ||||
| 3 | S | 35 | Very low | 37.4 | Very low | 129 Ų | 129 | 171 Ų | 171 | 90% | 0.902 | 88% | 0.875 | S | S | * | * | -160.5 | 157.2 | 124.8 | -93.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 4 | R | 40.8 | Very low | 37.4 | Very low | 234 Ų | 234 | 167.4 Ų | 167.4 | 88% | 0.883 | 87% | 0.868 | S | S | * | * | trans | -93.4 | 150.9 | -161.9 | -76.7 | 171.4 | 166.5 | 173.8 | -4.8 | 114.4 | ||||
| 5 | K | 41.8 | Very low | 37.2 | Very low | 201 Ų | 201 | 162.3 Ų | 162.3 | 87% | 0.874 | 86% | 0.86 | S | S | * | * | trans | 14.2 | 135.5 | 139 | -61.2 | -174.2 | 174.5 | -173.6 | 0 | 118.8 | ||||
| 6 | K | 39.4 | Very low | 37 | Very low | 211 Ų | 211 | 162.7 Ų | 162.7 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | -140.2 | 139.5 | 129.1 | -119.3 | 177.9 | -178.3 | 179.5 | 0 | 110.4 | |||||
| 7 | S | 36.6 | Very low | 36.9 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 84% | 0.839 | 86% | 0.855 | S | S | * | * | trans | -92.1 | 152.5 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | K | 38 | Very low | 36.7 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 78% | 0.778 | 85% | 0.846 | S | S | * | * | trans | -130.7 | 128.3 | 148.3 | -162.2 | -171.5 | 178.3 | -145.2 | 0 | 108.4 | E10 | K8-E10 IonicContact NZ-OE2 2.8Å; K8-E10 PolarHBondContact NZ-OE2 3.41Å | ||
| 9 | N | 33.4 | Very low | 36.7 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | trans | -86.8 | 125.5 | 176.8 | -151.7 | 18.9 | 0 | 0 | 0 | 107.1 | ||||
| 10 | E | 33.3 | Very low | 36.8 | Very low | 157 Ų | 157 | 157.6 Ų | 157.6 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | trans | -147.3 | 134.6 | 164.1 | -144.5 | 162.7 | 144.1 | 0 | 0 | 109.7 | K8 | K8-E10 IonicContact NZ-OE2 2.8Å; K8-E10 PolarHBondContact NZ-OE2 3.41Å | ||
| 11 | A | 38.7 | Very low | 36.9 | Very low | 96 Ų | 96 | 161.2 Ų | 161.2 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | -84.9 | 137.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 12 | S | 36.5 | Very low | 37.5 | Very low | 118 Ų | 118 | 155.4 Ų | 155.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -149.9 | 112.3 | 163.3 | -76.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | K | 41.5 | Very low | 38.2 | Very low | 210 Ų | 210 | 156.7 Ų | 156.7 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -69.2 | 147.3 | 171.4 | -61.2 | 177.7 | 178.7 | -179.7 | 0 | 109.4 | ||||
| 14 | P | 37.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -124 | 131.6 | 149.6 | 32.6 | -21.2 | 0 | 0 | 0 | 113.2 | ||||
| 15 | A | 34 | Very low | 40.1 | Very low | 91 Ų | 91 | 157.2 Ų | 157.2 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 46.6 | 107 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | V17 | A15-V17 PolarHBondContact O-N 3.28Š| ||
| 16 | E | 33.5 | Very low | 40.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -56.7 | 96.6 | 159 | -178.7 | 173.9 | -165.7 | 0 | 0 | 112.4 | H18 | E16-H18 PolarHBondContact O-N 3.35Å; E16-H18 PolarHBondContact O-ND1 3.1Å | ||
| 17 | V | 35.1 | Very low | 41.6 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -70 | 102.9 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | A15 G19 | A15-V17 PolarHBondContact O-N 3.28Å; V17-G19 PolarHBondContact O-N 3.44Å | ||
| 18 | H | 33.6 | Very low | 42.8 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | -61.7 | 106.6 | 178.8 | -77 | 45.5 | 0 | 0 | 0 | 111.4 | E16 K20 | E16-H18 PolarHBondContact O-N 3.35Å; E16-H18 PolarHBondContact O-ND1 3.1Å; H18-K20 PolarHBondContact O-N 3.07Å | ||
| 19 | G | 37.3 | Very low | 43.7 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | -64.5 | 101.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V17 Y21 | V17-G19 PolarHBondContact O-N 3.44Å; G19-Y21 PolarHBondContact O-N 3.01Å; G19-Y21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | K | 38.6 | Very low | 44.9 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | trans | -67.6 | 106.4 | 173.3 | -68.5 | -172.7 | 178.8 | -177.7 | 0 | 109.6 | H18 V22 | H18-K20 PolarHBondContact O-N 3.07Å; K20-V22 PolarHBondContact O-N 3.01Å | ||
| 21 | Y | 39.4 | Very low | 46.3 | Very low | 234 Ų | 234 | 132.6 Ų | 132.6 | 92% | 0.918 | 70% | 0.702 | S | S | * | * | trans | -61.7 | 105.7 | 170.8 | -88.5 | -99.4 | 0 | 0 | 0 | 110.2 | G19 K23 | G19-Y21 PolarHBondContact O-N 3.01Å; G19-Y21 VanDerWaalsContact O-N 3.08Å; Y21-K23 PolarHBondContact O-N 3.24Å | ||
| 22 | V | 47 | Very low | 47.5 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -71.5 | 114.8 | 166.7 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | K20 K24 | K20-V22 PolarHBondContact O-N 3.01Å; V22-K24 PolarHBondContact O-N 3.07Å; V22-K24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | K | 50.9 | Low | 48.9 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | trans | -65.1 | 108.4 | 176.2 | -159.9 | 176.9 | -173.7 | -177.3 | 0 | 108 | Y21 E25 | Y21-K23 PolarHBondContact O-N 3.24Å; K23-E25 PolarHBondContact O-N 3.19Å; K23-E25 VanDerWaalsContact O-N 3.07Å | ||
| 24 | K | 55.2 | Low | 49.8 | Very low | 197 Ų | 197 | 124.5 Ų | 124.5 | 86% | 0.857 | 65% | 0.645 | S | S | * | * | trans | -75.2 | 98.3 | -177.6 | -54.2 | -175.8 | -173.1 | -178 | 0 | 108 | V22 | V22-K24 PolarHBondContact O-N 3.07Å; V22-K24 VanDerWaalsContact O-N 3.08Å | ||
| 25 | E | 61.3 | Low | 51.2 | Low | 178 Ų | 178 | 121.3 Ų | 121.3 | 83% | 0.832 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.1 | 177.4 | -60.1 | -159 | 149.6 | 0 | 0 | 110.5 | K23 S27 | K23-E25 PolarHBondContact O-N 3.19Å; K23-E25 VanDerWaalsContact O-N 3.07Å; E25-S27 PolarHBondContact O-N 3.08Å |
| 26 | T | 52.9 | Low | 52.2 | Low | 70 Ų | 70 | 121.3 Ų | 121.3 | 43% | 0.429 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 133.1 | 179.3 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | L30 M34 | T26-L30 HydrophobicContact CG2-CB 3.85Å; T26-L30 HydrophobicContact CG2-CD1 4.47Å; T26-M34 HydrophobicContact CG2-SD 4.26Å |
| 27 | S | 60.1 | Low | 53.3 | Low | 25 Ų | 25 | 120.3 Ų | 120.3 | 18% | 0.175 | 61% | 0.612 | C | S | . | * | P | Polyproline II helix | trans | -48.2 | 136 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | E25 L29 L30 R31 | E25-S27 PolarHBondContact O-N 3.08Å; S27-L29 PolarHBondContact O-N 3.05Å; S27-L29 VanDerWaalsContact O-N 3.1Å; S27-L30 PolarHBondContact O-N 3.01Å; S27-R31 PolarHBondContact O-N 3.01Å |
| 28 | P | 60.2 | Low | 54.5 | Low | 105 Ų | 105 | 117.8 Ų | 117.8 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -59.7 | -25.2 | -176.5 | 22.5 | -33.3 | 0 | 0 | 0 | 113.4 | R31 | P28-R31 WeakPolarHBondContact O-CB 3.12Å; P28-R31 PolarHBondContact O-N 3.03Å; P28-R31 VanDerWaalsContact O-N 3.13Å |
| 29 | L | 58.3 | Low | 55.6 | Low | 131 Ų | 131 | 113.8 Ų | 113.8 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -62.3 | -44.7 | 172.7 | -63.6 | 171.8 | 0 | 0 | 0 | 111.5 | S27 R31 | S27-L29 PolarHBondContact O-N 3.05Å; S27-L29 VanDerWaalsContact O-N 3.1Å; L29-R31 PolarHBondContact O-N 3.06Å; L29-R31 VanDerWaalsContact O-N 3.15Å |
| 30 | L | 59.2 | Low | 56.4 | Low | 14 Ų | 14 | 117.4 Ų | 117.4 | 7% | 0.073 | 57% | 0.571 | C | S | . | * | G | 310 helix | trans | -76.4 | 3.2 | 176.4 | -52.6 | 173.7 | 0 | 0 | 0 | 112.4 | T26 S27 R39 Y365 E368 L369 | T26-L30 HydrophobicContact CG2-CB 3.85Å; T26-L30 HydrophobicContact CG2-CD1 4.47Å; S27-L30 PolarHBondContact O-N 3.01Å; L30-R39 PolarHBondContact O-NH2 2.88Å; L30-Y365 HydrophobicContact CD2-CD2 4.32Å; L30-Y365 HydrophobicContact CD2-CE2 3.92Å; L30-E368 HydrophobicContact CD2-CB 4.08Å; L30-E368 WeakPolarHBondContact CD2-OE2 3.47Å; L30-L369 HydrophobicContact CD1-CD2 3.78Å; L30-L369 HydrophobicContact CD2-CD2 4.42Å |
| 31 | R | 62.3 | Low | 56.9 | Low | 167 Ų | 167 | 110.4 Ų | 110.4 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -73.6 | -28.2 | 175.6 | -164.8 | 172.1 | -178.1 | 175.3 | 0.6 | 112.9 | S27 P28 L29 R39 | S27-R31 PolarHBondContact O-N 3.01Å; P28-R31 WeakPolarHBondContact O-CB 3.12Å; P28-R31 PolarHBondContact O-N 3.03Å; P28-R31 VanDerWaalsContact O-N 3.13Å; L29-R31 PolarHBondContact O-N 3.06Å; L29-R31 VanDerWaalsContact O-N 3.15Å; R31-R39 PolarHBondContact O-NH2 3.15Å |
| 32 | N | 64.1 | Low | 57 | Low | 142 Ų | 142 | 105.4 Ų | 105.4 | 76% | 0.759 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -36.4 | 174.1 | 39.3 | -99 | 0 | 0 | 0 | 113.4 | ||
| 33 | L | 64.4 | Low | 57 | Low | 73 Ų | 73 | 105.2 Ų | 105.2 | 38% | 0.382 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -14.1 | -152.3 | -69.1 | 159.8 | 0 | 0 | 0 | 115.9 | Y365 E368 | L33-Y365 HydrophobicContact CB-CD2 4.16Å; L33-E368 WeakPolarHBondContact CD1-OE1 3.28Å; L33-E368 WeakPolarHBondContact CD1-OE2 3.44Å |
| 34 | M | 60.4 | Low | 56.7 | Low | 38 Ų | 38 | 103.3 Ų | 103.3 | 19% | 0.187 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -88.9 | 134.6 | 170.9 | -48.4 | -161.6 | 77.5 | 0 | 0 | 112.6 | T26 I38 R39 Y365 | T26-M34 HydrophobicContact CG2-SD 4.26Å; M34-I38 HydrophobicContact CE-CB 4.27Å; M34-I38 HydrophobicContact CE-CD1 3.88Å; M34-I38 HydrophobicContact CE-CG2 3.65Å; M34-I38 HydrophobicContact SD-CG2 4.34Å; M34-R39 VanDerWaalsContact CB-NH2 3.27Å; M34-R39 VanDerWaalsContact N-NH2 3.12Å; M34-R39 PolarHBondContact O-NE 2.77Å; M34-R39 PolarHBondContact O-NH2 3.17Å; M34-Y365 HydrophobicContact CE-CE1 4.39Å; M34-Y365 VanDerWaalsContact CE-OH 3.23Å; M34-Y365 WeakPolarHBondContact CE-OH 3.43Å; M34-Y365 HydrophobicContact CG-CE2 3.81Å; M34-Y365 HydrophobicContact SD-CE2 4.43Å; M34-Y365 PolarHBondContact SD-OH 2.92Å |
| 35 | P | 67.4 | Low | 56.1 | Low | 53 Ų | 53 | 99.4 Ų | 99.4 | 34% | 0.344 | 54% | 0.542 | S | S | . | . | trans | -52.3 | 147.6 | 168.3 | -29 | 36.3 | 0 | 0 | 0 | 114 | F37 I38 | P35-F37 VanDerWaalsContact C-N 3.3Å; P35-F37 HydrophobicContact CB-CD1 3.62Å; P35-F37 HydrophobicContact CB-CE1 3.3Å; P35-F37 HydrophobicContact CB-CZ 4.02Å; P35-F37 HydrophobicContact CG-CE1 4Å; P35-F37 HydrophobicContact CG-CZ 4.4Å; P35-F37 PolarHBondContact O-N 3.28Å; P35-I38 PolarHBondContact O-N 3.03Å; P35-I38 VanDerWaalsContact O-N 3.13Å | ||
| 36 | S | 54.5 | Low | 55 | Low | 91 Ų | 91 | 102.4 Ų | 102.4 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58 | -35.6 | -174 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | I38 R39 | S36-I38 PolarHBondContact O-N 2.92Å; S36-R39 WeakPolarHBondContact O-CB 3.07Å; S36-R39 PolarHBondContact O-N 3.08Å; S36-R39 VanDerWaalsContact O-N 3.07Å |
| 37 | F | 58.3 | Low | 54 | Low | 148 Ų | 148 | 110.1 Ų | 110.1 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.3 | -17 | 180 | 68.9 | -97.2 | 0 | 0 | 0 | 114.4 | P35 | P35-F37 VanDerWaalsContact C-N 3.3Å; P35-F37 HydrophobicContact CB-CD1 3.62Å; P35-F37 HydrophobicContact CB-CE1 3.3Å; P35-F37 HydrophobicContact CB-CZ 4.02Å; P35-F37 HydrophobicContact CG-CE1 4Å; P35-F37 HydrophobicContact CG-CZ 4.4Å; P35-F37 PolarHBondContact O-N 3.28Å |
| 38 | I | 58.8 | Low | 52.8 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 43% | 0.431 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -88.6 | -24.9 | 175.6 | -52.2 | 178.6 | 0 | 0 | 0 | 111.1 | M34 P35 S36 | M34-I38 HydrophobicContact CE-CB 4.27Å; M34-I38 HydrophobicContact CE-CD1 3.88Å; M34-I38 HydrophobicContact CE-CG2 3.65Å; M34-I38 HydrophobicContact SD-CG2 4.34Å; P35-I38 PolarHBondContact O-N 3.03Å; P35-I38 VanDerWaalsContact O-N 3.13Å; S36-I38 PolarHBondContact O-N 2.92Å |
| 39 | R | 56.7 | Low | 51.7 | Low | 66 Ų | 66 | 118 Ų | 118 | 25% | 0.249 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -72.9 | -36.3 | -178 | -55.5 | -168.4 | 171.2 | -65.6 | -15.3 | 112.6 | L30 R31 M34 S36 | L30-R39 PolarHBondContact O-NH2 2.88Å; R31-R39 PolarHBondContact O-NH2 3.15Å; M34-R39 VanDerWaalsContact CB-NH2 3.27Å; M34-R39 VanDerWaalsContact N-NH2 3.12Å; M34-R39 PolarHBondContact O-NE 2.77Å; M34-R39 PolarHBondContact O-NH2 3.17Å; S36-R39 WeakPolarHBondContact O-CB 3.07Å; S36-R39 PolarHBondContact O-N 3.08Å; S36-R39 VanDerWaalsContact O-N 3.07Å |
| 40 | H | 54.8 | Low | 50.5 | Low | 142 Ų | 142 | 114.8 Ų | 114.8 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -124.9 | 94.6 | -179.2 | -50.4 | -74 | 0 | 0 | 0 | 106.9 | ||
| 41 | G | 48.2 | Very low | 49.7 | Very low | 48 Ų | 48 | 120 Ų | 120 | 50% | 0.495 | 63% | 0.634 | S | S | . | * | trans | -56.3 | 162.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T43 | G41-T43 PolarHBondContact O-N 3.36Š| ||
| 42 | P | 41.8 | Very low | 48.7 | Very low | 129 Ų | 129 | 117.9 Ų | 117.9 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | trans | -49.2 | 111.3 | -164 | -29.5 | 35.1 | 0 | 0 | 0 | 113.6 | I44 | P42-I44 PolarHBondContact O-N 3.13Š| ||
| 43 | T | 47 | Very low | 47.4 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | trans | -75.1 | 95 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | G41 P45 | G41-T43 PolarHBondContact O-N 3.36Å; T43-P45 VanDerWaalsContact O-CD 3.28Å; T43-P45 WeakPolarHBondContact O-CD 3.16Å | ||
| 44 | I | 44.7 | Very low | 45.9 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 117.2 | 171 | -56.4 | 174.4 | 0 | 0 | 0 | 108.1 | P42 R46 | P42-I44 PolarHBondContact O-N 3.13Å; I44-R46 PolarHBondContact O-N 3.44Å |
| 45 | P | 41.8 | Very low | 44.7 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -68 | 122.2 | 175.7 | -17.2 | 32.3 | 0 | 0 | 0 | 109.8 | T43 | T43-P45 VanDerWaalsContact O-CD 3.28Å; T43-P45 WeakPolarHBondContact O-CD 3.16Å |
| 46 | R | 39.1 | Very low | 43 | Very low | 241 Ų | 241 | 133 Ų | 133 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.8 | 167.2 | -90 | -177.3 | 164.1 | 172.9 | -6 | 108.9 | I44 T48 | I44-R46 PolarHBondContact O-N 3.44Å; R46-T48 PolarHBondContact O-N 2.95Å |
| 47 | R | 31.7 | Very low | 42 | Very low | 231 Ų | 231 | 134 Ų | 134 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 132.1 | 168.2 | -99.6 | -175.4 | 169 | -148.3 | -0.2 | 109.8 | ||
| 48 | T | 35.3 | Very low | 40.7 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 121.3 | 165.1 | -53 | 0 | 0 | 0 | 0 | 107.9 | R46 | R46-T48 PolarHBondContact O-N 2.95Š|
| 49 | E | 35.9 | Very low | 39.4 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133.7 | 168.9 | -68 | -69.2 | 134 | 0 | 0 | 109.5 | ||
| 50 | G | 33.3 | Very low | 38.3 | Very low | 62 Ų | 62 | 138.5 Ų | 138.5 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -114.7 | 141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | P | 42.2 | Very low | 37.1 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 155.9 | -178.3 | 32.2 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 52 | P | 41.4 | Very low | 36.4 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 151.6 | -175.2 | 35.8 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 53 | P | 38.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -98 | 162.5 | 156.5 | 34.7 | -27.6 | 0 | 0 | 0 | 112.3 | ||
| 54 | E | 31.7 | Very low | 34.9 | Very low | 199 Ų | 199 | 140.3 Ų | 140.3 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -82.2 | 177 | -162.1 | -65.8 | 178.6 | 112.5 | 0 | 0 | 116.5 | ||||
| 55 | M | 35.4 | Very low | 34.2 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -69.9 | 143.6 | -175.9 | -49.2 | 178.2 | -164.9 | 0 | 0 | 113.5 | ||||
| 56 | A | 32.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -137.4 | 144 | 145.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 57 | S | 32.7 | Very low | 33.4 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -100.5 | 154.7 | -160.5 | 51.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 58 | S | 32.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 38.5 | 144.6 | 140.1 | -98.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 59 | S | 31.4 | Very low | 33.3 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 50% | 0.497 | 77% | 0.772 | S | S | . | * | cis | -179.9 | 174.8 | -11.5 | 33.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 60 | Y | 32.5 | Very low | 33.1 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 155.5 | 159.6 | 72.3 | -108.5 | 0 | 0 | 0 | 118.5 | ||||
| 61 | S | 30.4 | Very low | 33 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | -168.3 | 153.6 | -20.9 | -104.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 62 | V | 32.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 123.4 | 142.5 | 173.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 63 | A | 28.9 | Very low | 32 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | trans | -79.3 | 164.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 64 | N | 30.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | 167.7 | 154.2 | 123.8 | -93.7 | -16 | 0 | 0 | 0 | 108.2 | |||||
| 65 | S | 28.1 | Very low | 31.8 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | 167.8 | 128.7 | -12 | 171.9 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 66 | R | 33.3 | Very low | 31.7 | Very low | 211 Ų | 211 | 133 Ų | 133 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | 170.1 | 128.3 | 131.8 | -95.8 | -178.1 | 162.5 | 135.8 | 3.8 | 115.7 | ||||
| 67 | E | 32.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 136 Ų | 136 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | 66.9 | 95 | 133.7 | -68.6 | 158.8 | -152.7 | 0 | 0 | 122.5 | ||||
| 68 | S | 31.4 | Very low | 31.9 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | 104.8 | 144.2 | 105.3 | 81.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 69 | V | 33.8 | Very low | 32.1 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 72 | 87.2 | 159.6 | -159.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 70 | V | 31.8 | Very low | 32.6 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | 40.8 | 109.8 | 115.9 | -175.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 71 | S | 31.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | 52.2 | 130 | 129.8 | -156.8 | 0 | 0 | 0 | 0 | 122 | |||||
| 72 | R | 30.9 | Very low | 32.9 | Very low | 221 Ų | 221 | 144.5 Ų | 144.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | 160.1 | 113.3 | 105 | -167.9 | 173.4 | -164.9 | 170.9 | 3.4 | 114.8 | |||||
| 73 | N | 31.6 | Very low | 32.8 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 24 | 116.2 | 141.2 | -36.2 | -10.6 | 0 | 0 | 0 | 120.5 | ||||
| 74 | K | 34.4 | Very low | 33.1 | Very low | 206 Ų | 206 | 151.7 Ų | 151.7 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -160.3 | 153.7 | 145 | -65.5 | -165 | -175.3 | 174.7 | 0 | 108.6 | ||||
| 75 | S | 31 | Very low | 33.7 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | cis | -175.4 | 138.6 | -23.6 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 76 | V | 33.1 | Very low | 34 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | 57 | 112.6 | 132.3 | -178.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 77 | L | 37.3 | Very low | 33.9 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 62.2 | 131.5 | 145 | -60.4 | 170.5 | 0 | 0 | 0 | 122.4 | ||||
| 78 | R | 32.2 | Very low | 34 | Very low | 249 Ų | 249 | 152.8 Ų | 152.8 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | trans | -148.2 | 140.4 | 142.3 | -154.8 | 166.5 | -161.3 | 144.7 | 7.3 | 112.2 | ||||
| 79 | A | 35.4 | Very low | 34.1 | Very low | 88 Ų | 88 | 152 Ų | 152 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -96.3 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 80 | P | 43.9 | Very low | 34.2 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 168.2 | -142.5 | 36.6 | -37.5 | 0 | 0 | 0 | 116.4 | ||
| 81 | V | 34.3 | Very low | 34.4 | Very low | 147 Ų | 147 | 162.8 Ų | 162.8 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 140.5 | 174.1 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 82 | Q | 34.2 | Very low | 34.4 | Very low | 169 Ų | 169 | 165.9 Ų | 165.9 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 151.7 | -176.6 | -60.2 | 174.6 | -6.8 | 0 | 0 | 113.7 | ||
| 83 | R | 29.5 | Very low | 34.6 | Very low | 248 Ų | 248 | 160.1 Ų | 160.1 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -141.5 | 151.3 | 149.3 | -73.7 | -168 | 176.1 | 153.6 | -0.2 | 110.3 | ||||
| 84 | T | 34.6 | Very low | 34.9 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -134.4 | 177.2 | -172.9 | 55 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 85 | P | 43.2 | Very low | 35 | Very low | 105 Ų | 105 | 163.2 Ų | 163.2 | 68% | 0.682 | 82% | 0.823 | S | S | * | * | -133.3 | 122.3 | -54.5 | 34.4 | -18.5 | 0 | 0 | 0 | 111.5 | |||||
| 86 | H | 34.7 | Very low | 35.3 | Very low | 196 Ų | 196 | 166.8 Ų | 166.8 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -146 | 146.5 | 161 | -103.6 | -83.3 | 0 | 0 | 0 | 111.2 | ||||
| 87 | E | 31.8 | Very low | 35.5 | Very low | 189 Ų | 189 | 166.2 Ų | 166.2 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | 73.7 | 57.6 | 164 | -145.6 | 157.5 | -150.4 | 0 | 0 | 118.8 | ||||
| 88 | V | 33.5 | Very low | 35.5 | Very low | 153 Ų | 153 | 162.6 Ų | 162.6 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | trans | -129.2 | 96 | 144.6 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 89 | A | 34.1 | Very low | 35.9 | Very low | 92 Ų | 92 | 156.1 Ų | 156.1 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -154.4 | 73 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 90 | R | 35.2 | Very low | 36.4 | Very low | 255 Ų | 255 | 157.9 Ų | 157.9 | 96% | 0.962 | 82% | 0.821 | S | S | * | * | trans | -166.2 | 123.3 | 131.5 | -105.2 | 162.9 | -166.6 | 151.5 | 5.2 | 110.4 | ||||
| 91 | R | 37.5 | Very low | 36 | Very low | 227 Ų | 227 | 162.3 Ų | 162.3 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -96.7 | 156.4 | 179.6 | -138.2 | -176.7 | -168.2 | 162.1 | 1.2 | 108.6 | ||||
| 92 | E | 30.3 | Very low | 36.3 | Very low | 168 Ų | 168 | 163.3 Ų | 163.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | 71.5 | 82.2 | 135.5 | -158.3 | 152.2 | -144.3 | 0 | 0 | 118.6 | ||||
| 93 | S | 34.6 | Very low | 37 | Very low | 99 Ų | 99 | 160.9 Ų | 160.9 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | -173.5 | 135.4 | 141.6 | 55.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 94 | H | 38.1 | Very low | 37.2 | Very low | 160 Ų | 160 | 161.3 Ų | 161.3 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | cis | -139 | 135.8 | 21 | -65.6 | 69.3 | 0 | 0 | 0 | 110.6 | M96 | H94-M96 HydrophobicContact CB-SD 4.4Å; H94-M96 PolarHBondContact O-N 2.78Å | ||
| 95 | R | 36.4 | Very low | 36.9 | Very low | 247 Ų | 247 | 160.4 Ų | 160.4 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -86.6 | 93.7 | 171.4 | -169 | -176 | -162.4 | 173.5 | 4.5 | 107.8 | S97 | R95-S97 PolarHBondContact O-N 3.1Š| ||
| 96 | M | 37.5 | Very low | 36.6 | Very low | 170 Ų | 170 | 163.7 Ų | 163.7 | 84% | 0.837 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 123.2 | -178 | -68 | -61.9 | -92.1 | 0 | 0 | 111.2 | H94 | H94-M96 HydrophobicContact CB-SD 4.4Å; H94-M96 PolarHBondContact O-N 2.78Å |
| 97 | S | 37.5 | Very low | 36.5 | Very low | 112 Ų | 112 | 157.8 Ų | 157.8 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 142.8 | -177.2 | -47.3 | 0 | 0 | 0 | 0 | 112.3 | R95 | R95-S97 PolarHBondContact O-N 3.1Š|
| 98 | A | 37 | Very low | 36.5 | Very low | 92 Ų | 92 | 155.9 Ų | 155.9 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 99 | P | 41 | Very low | 36.7 | Very low | 112 Ų | 112 | 155 Ų | 155 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 143.5 | 171.5 | -10.4 | 26.7 | 0 | 0 | 0 | 111.1 | ||
| 100 | P | 44.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 155.4 Ų | 155.4 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80 | 142.6 | 177 | 32.3 | -33.8 | 0 | 0 | 0 | 112 | ||
| 101 | Y | 35.2 | Very low | 36.6 | Very low | 222 Ų | 222 | 150.9 Ų | 150.9 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74 | 136.3 | 168.2 | -68.9 | -95.1 | 0 | 0 | 0 | 111.1 | ||
| 102 | L | 41.9 | Very low | 36.3 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -140.2 | 146.5 | 151 | -78.9 | -176.9 | 0 | 0 | 0 | 109.9 | ||||
| 103 | P | 48.1 | Very low | 36.5 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -87.2 | 146.8 | -172.7 | 34.5 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 104 | R | 33 | Very low | 36.3 | Very low | 257 Ų | 257 | 155 Ų | 155 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 147.3 | 158.1 | -115.2 | -173 | -179.4 | -145.8 | -0.1 | 111.3 | ||||
| 105 | S | 29.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 150.6 Ų | 150.6 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 151.5 | -172.7 | -176.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 106 | L | 36.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 49.4 | 120.1 | 158.3 | -88 | 155.2 | 0 | 0 | 0 | 119.6 | ||||
| 107 | G | 33.8 | Very low | 35.2 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 150.8 | 81.5 | 156 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 108 | D | 31.8 | Very low | 34.9 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 72.5 | 142.8 | 131 | -133.2 | 17.5 | 0 | 0 | 0 | 125.2 | ||||
| 109 | L | 37.3 | Very low | 34.7 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 71% | 0.707 | 78% | 0.782 | S | S | * | * | trans | 61.7 | 104.9 | 155.5 | -68.9 | 165.4 | 0 | 0 | 0 | 125.2 | ||||
| 110 | S | 30.3 | Very low | 34.1 | Very low | 100 Ų | 100 | 147.7 Ų | 147.7 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 75.9 | 150.4 | 110.4 | -65.8 | 0 | 0 | 0 | 0 | 127 | |||||
| 111 | H | 36.1 | Very low | 33.6 | Very low | 160 Ų | 160 | 150 Ų | 150 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 88.9 | 108.1 | 160.7 | -82.6 | -83.4 | 0 | 0 | 0 | 122.5 | ||||
| 112 | E | 32.1 | Very low | 33.5 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 37.7 | 126.9 | 132.1 | -59.8 | 179.5 | 122.4 | 0 | 0 | 122.2 | ||||
| 113 | Y | 33.3 | Very low | 32.9 | Very low | 209 Ų | 209 | 145 Ų | 145 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | -166.6 | 158 | 100.3 | -146.8 | -107 | 0 | 0 | 0 | 115.1 | |||||
| 114 | R | 30.9 | Very low | 32.2 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 152 | -179.4 | 154.6 | -159.5 | -69.5 | -150.6 | -3.1 | 116.3 | ||||
| 115 | G | 27.8 | Very low | 32.2 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 146.4 | 98 | 150.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 116 | S | 29.7 | Very low | 32.9 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 59.7 | 108 | 78.3 | -167.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 117 | T | 32.3 | Very low | 32.8 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | 176 | 142 | 112 | 29.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 118 | Q | 30.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | trans | 57.7 | 105.4 | 144.7 | -63.1 | -175.6 | 39.9 | 0 | 0 | 121.5 | ||||
| 119 | S | 32 | Very low | 33.3 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 121.4 | 155.8 | 39.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 120 | F | 29.5 | Very low | 33.1 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 122 | 166.7 | -85.4 | -88 | 0 | 0 | 0 | 111 | ||
| 121 | L | 33.9 | Very low | 33.1 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 120.6 | 165.5 | -69.7 | 169.9 | 0 | 0 | 0 | 108.9 | ||
| 122 | T | 32.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | -111.5 | 106.1 | 166.9 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 123 | N | 29.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -71.8 | 135.9 | 169 | -171.7 | 14.9 | 0 | 0 | 0 | 109.5 | ||||
| 124 | V | 34.3 | Very low | 32.8 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -131.6 | 113.9 | 178.1 | -170.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 125 | G | 32.3 | Very low | 32.9 | Very low | 56 Ų | 56 | 134.5 Ų | 134.5 | 58% | 0.577 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 160.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 126 | P | 44.9 | Very low | 33.3 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 134 | -167.5 | 31.3 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 127 | M | 33.5 | Very low | 33.4 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 143.9 | 157.1 | -66.4 | -155.4 | 80.1 | 0 | 0 | 110.1 | ||
| 128 | S | 39.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102 | 127.7 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 129 | E | 36.2 | Very low | 33.6 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -143.7 | 138.6 | 163.4 | -160.4 | 160.1 | 100.7 | 0 | 0 | 110.3 | ||||
| 130 | N | 34 | Very low | 33.7 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -88.8 | 143.4 | -179.3 | -66.4 | -56.9 | 0 | 0 | 0 | 109.9 | ||||
| 131 | G | 30.9 | Very low | 33.8 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -174.9 | 74.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 132 | D | 29.6 | Very low | 34.4 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 94% | 0.941 | 81% | 0.806 | S | S | * | * | trans | 38 | 141.7 | 158.2 | -71.9 | -47 | 0 | 0 | 0 | 123.8 | ||||
| 133 | A | 31.5 | Very low | 34.4 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -101.1 | 133.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 134 | A | 32.6 | Very low | 34.7 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -112.6 | 101.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 135 | R | 33.7 | Very low | 34.5 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 128.9 | 172.1 | -68.8 | 179.1 | 174.6 | 178.3 | -2.2 | 109.6 | ||||
| 136 | Y | 36.9 | Very low | 34.5 | Very low | 224 Ų | 224 | 153.3 Ų | 153.3 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -114.8 | 122.3 | 159.2 | -79.9 | -79.7 | 0 | 0 | 0 | 110.3 | ||||
| 137 | Y | 30 | Very low | 34 | Very low | 202 Ų | 202 | 153.4 Ų | 153.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 143.7 | 176.1 | -113.2 | -109 | 0 | 0 | 0 | 110 | ||||
| 138 | Y | 33.7 | Very low | 34 | Very low | 226 Ų | 226 | 150.9 Ų | 150.9 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -136.6 | 141.5 | 146.3 | -114.1 | -89.2 | 0 | 0 | 0 | 108.9 | ||||
| 139 | P | 35.4 | Very low | 33.7 | Very low | 113 Ų | 113 | 152.4 Ų | 152.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -88.5 | 154 | -167.5 | -3.3 | 23.7 | 0 | 0 | 0 | 112.8 | ||||
| 140 | A | 32.6 | Very low | 33.6 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -115.8 | 178.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 141 | E | 32 | Very low | 33.4 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 89.1 | 152.5 | 176.7 | -55.2 | -56.3 | 149.6 | 0 | 0 | 117.2 | ||||
| 142 | P | 47.7 | Very low | 33.4 | Very low | 125 Ų | 125 | 154.2 Ų | 154.2 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | cis | -126.1 | 165.4 | 3.3 | 21.6 | 2.6 | 0 | 0 | 0 | 118.1 | ||||
| 143 | Y | 30.8 | Very low | 33.6 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | -47.3 | 157.5 | 168.3 | -138.1 | -117.7 | 0 | 0 | 0 | 118 | E145 | Y143-E145 HydrophobicContact CD1-CB 3.97Å; Y143-E145 HydrophobicContact CD1-CG 4.45Å; Y143-E145 HydrophobicContact CE1-CB 3.74Å; Y143-E145 HydrophobicContact CE1-CG 3.72Å; Y143-E145 WeakPolarHBondContact CE1-OE2 3.34Å | ||
| 144 | Y | 36 | Very low | 33.5 | Very low | 237 Ų | 237 | 158.9 Ų | 158.9 | 93% | 0.929 | 75% | 0.751 | S | S | * | * | trans | -142.8 | 147.8 | 139.6 | -134.1 | -85 | 0 | 0 | 0 | 110.6 | ||||
| 145 | E | 30.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 166 Ų | 166 | 56% | 0.556 | 76% | 0.759 | S | S | * | * | trans | -120.2 | 162.5 | -164.7 | -156.9 | -176.6 | 130.1 | 0 | 0 | 113.1 | Y143 | Y143-E145 HydrophobicContact CD1-CB 3.97Å; Y143-E145 HydrophobicContact CD1-CG 4.45Å; Y143-E145 HydrophobicContact CE1-CB 3.74Å; Y143-E145 HydrophobicContact CE1-CG 3.72Å; Y143-E145 WeakPolarHBondContact CE1-OE2 3.34Å | ||
| 146 | N | 32 | Very low | 33.4 | Very low | 114 Ų | 114 | 162.1 Ų | 162.1 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | trans | 76.5 | 144.2 | 160.4 | -86.5 | -61.7 | 0 | 0 | 0 | 117 | ||||
| 147 | Q | 34.8 | Very low | 33 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -158.8 | 145.5 | 8.9 | -157.6 | 155.2 | 91.1 | 0 | 0 | 114.4 | ||||
| 148 | Q | 32.5 | Very low | 33 | Very low | 137 Ų | 137 | 155.8 Ų | 155.8 | 64% | 0.64 | 75% | 0.745 | S | S | * | * | trans | 62.9 | 125.5 | 147.2 | -78 | 169.2 | 41.8 | 0 | 0 | 125.6 | ||||
| 149 | Q | 33.5 | Very low | 32.7 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | 91 | 108.8 | 128.6 | -72.8 | 174 | 32.8 | 0 | 0 | 123.6 | |||||
| 150 | Q | 34.4 | Very low | 32.6 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | 63.2 | 142.7 | 129.9 | -58.7 | -170.5 | 43.9 | 0 | 0 | 123 | |||||
| 151 | H | 31.1 | Very low | 32.8 | Very low | 155 Ų | 155 | 160.8 Ų | 160.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | 99.4 | 111.6 | 154.2 | -52 | -60.8 | 0 | 0 | 0 | 120 | ||||
| 152 | Q | 30.2 | Very low | 32.7 | Very low | 169 Ų | 169 | 160 Ų | 160 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 42.1 | 135.3 | 144.6 | -60.3 | -172.1 | 13.8 | 0 | 0 | 121.8 | R154 | Q152-R154 PolarHBondContact O-N 2.89Š| ||
| 153 | P | 34.5 | Very low | 31.9 | Very low | 136 Ų | 136 | 160.9 Ų | 160.9 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -75.6 | 112.4 | 167.1 | 32.1 | -31.7 | 0 | 0 | 0 | 110.9 | ||||
| 154 | R | 29.5 | Very low | 31.9 | Very low | 229 Ų | 229 | 163 Ų | 163 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -95.9 | 129.7 | 166.4 | -111.9 | -159.9 | 176.4 | -131.8 | 0.6 | 111.2 | Q152 | Q152-R154 PolarHBondContact O-N 2.89Š| ||
| 155 | R | 32.9 | Very low | 31.9 | Very low | 240 Ų | 240 | 162.9 Ų | 162.9 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | -62.3 | 131.5 | 160.7 | -69.9 | -179.2 | 171.5 | -172.1 | -3 | 110.1 | ||||
| 156 | V | 29.8 | Very low | 31.7 | Very low | 138 Ų | 138 | 166.1 Ų | 166.1 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -144.2 | 153.1 | 146.7 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 157 | Q | 28.4 | Very low | 31.7 | Very low | 155 Ų | 155 | 170.8 Ų | 170.8 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -114.1 | 147 | -168.2 | 173.4 | 176.4 | -18.4 | 0 | 0 | 110.9 | ||||
| 158 | E | 31.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 172.3 Ų | 172.3 | 64% | 0.64 | 78% | 0.781 | S | S | * | * | trans | 46.2 | 129.8 | 161 | -69.5 | 173.3 | 105.3 | 0 | 0 | 121.8 | ||||
| 159 | R | 26.4 | Very low | 31.2 | Very low | 244 Ų | 244 | 173.1 Ų | 173.1 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | -147.6 | 127.3 | 122.3 | -75 | -156.3 | -176.1 | -171.2 | 2.4 | 111.3 | |||||
| 160 | F | 32.7 | Very low | 31.1 | Very low | 159 Ų | 159 | 172.2 Ų | 172.2 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | trans | -72.7 | 162 | 157.8 | -85.2 | -97.2 | 0 | 0 | 0 | 110.9 | ||||
| 161 | P | 36.8 | Very low | 30.7 | Very low | 127 Ų | 127 | 172.5 Ų | 172.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -127.7 | 125.8 | 123.4 | 7.8 | 13.1 | 0 | 0 | 0 | 112.3 | |||||
| 162 | D | 31.2 | Very low | 30.9 | Very low | 144 Ų | 144 | 173 Ų | 173 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -77.9 | 135.1 | 155.5 | -78.7 | -64.1 | 0 | 0 | 0 | 109.2 | ||||
| 163 | D | 30.9 | Very low | 30.9 | Very low | 143 Ų | 143 | 170.2 Ų | 170.2 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -158.3 | 162.6 | 149.3 | -135.5 | -26.7 | 0 | 0 | 0 | 112 | ||||
| 164 | Y | 31.2 | Very low | 30.8 | Very low | 217 Ų | 217 | 173.9 Ų | 173.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 82.2 | 107.3 | -177.8 | -60.3 | -78.1 | 0 | 0 | 0 | 118.4 | ||||
| 165 | R | 34.6 | Very low | 31 | Very low | 234 Ų | 234 | 170 Ų | 170 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -101.2 | 168.1 | 164.8 | -67.5 | -172.1 | 178.3 | 108.7 | -4.2 | 111.9 | ||||
| 166 | Y | 27.2 | Very low | 30.7 | Very low | 187 Ų | 187 | 169.5 Ų | 169.5 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 96.5 | 109.5 | 135.9 | -125.3 | -92.2 | 0 | 0 | 0 | 118.8 | ||||
| 167 | Y | 32.1 | Very low | 31.1 | Very low | 212 Ų | 212 | 170.7 Ų | 170.7 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | -157.7 | 116.1 | 120.4 | -108.9 | -75.1 | 0 | 0 | 0 | 109.9 | |||||
| 168 | E | 25.9 | Very low | 32.5 | Very low | 170 Ų | 170 | 168.1 Ų | 168.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -142.4 | 134.3 | 153.8 | -164.5 | 171.4 | 170.3 | 0 | 0 | 107.2 | ||||
| 169 | H | 30.5 | Very low | 32.4 | Very low | 154 Ų | 154 | 170.9 Ų | 170.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -115.2 | 106.4 | -178.8 | -109.2 | 49.9 | 0 | 0 | 0 | 109.3 | ||||
| 170 | N | 30.5 | Very low | 32.8 | Very low | 125 Ų | 125 | 166.5 Ų | 166.5 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | 39.2 | 126.3 | 125.2 | -164.5 | 68.6 | 0 | 0 | 0 | 118.4 | |||||
| 171 | E | 27 | Very low | 32.8 | Very low | 148 Ų | 148 | 165.4 Ų | 165.4 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -153.6 | 144.3 | 131 | -102.1 | -36.8 | 158.3 | 0 | 0 | 115.7 | ||||
| 172 | H | 33.9 | Very low | 32.5 | Very low | 166 Ų | 166 | 167.6 Ų | 167.6 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 81.7 | 140.4 | 159 | -67.4 | 32.6 | 0 | 0 | 0 | 121.1 | ||||
| 173 | N | 30.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 166.2 Ų | 166.2 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | -144.2 | 142.3 | -157.7 | 160.6 | 54.7 | 0 | 0 | 0 | 110 | Q175 | N173-Q175 PolarHBondContact ND2-OE1 3.43Š| ||
| 174 | F | 32.4 | Very low | 33.3 | Very low | 213 Ų | 213 | 165.6 Ų | 165.6 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | trans | -146.9 | 156.5 | 161.2 | -93.3 | -72.4 | 0 | 0 | 0 | 111.5 | ||||
| 175 | Q | 33.6 | Very low | 33.3 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -138.8 | 138.5 | -141.2 | -150.8 | 141.7 | -7.7 | 0 | 0 | 112.9 | N173 | N173-Q175 PolarHBondContact ND2-OE1 3.43Š| ||
| 176 | R | 28.2 | Very low | 34.3 | Very low | 229 Ų | 229 | 153.5 Ų | 153.5 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 151.8 | 105.7 | 135.6 | -82.7 | 174.2 | -172.1 | -154.6 | 3.4 | 116.3 | ||||
| 177 | L | 37 | Very low | 34.4 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 67.1 | 157.1 | 118.3 | -72.8 | 166.7 | 0 | 0 | 0 | 121.8 | |||||
| 178 | P | 57.1 | Low | 34.5 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | -132.9 | -171.6 | -129.2 | 46.6 | -32.3 | 0 | 0 | 0 | 115.7 | |||||
| 179 | H | 30.6 | Very low | 36.3 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -164.8 | 169.2 | 143.1 | -107 | 75.3 | 0 | 0 | 0 | 112.6 | ||||
| 180 | Q | 35.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -127.4 | 156.2 | -139 | -103.3 | -176.3 | -2.2 | 0 | 0 | 115.6 | ||||
| 181 | H | 31.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 63% | 0.625 | 77% | 0.77 | S | S | * | * | trans | 55 | 136.4 | 152 | -56 | -61.7 | 0 | 0 | 0 | 121.1 | ||||
| 182 | H | 30.7 | Very low | 38 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | -169.9 | 170.2 | 65.7 | -83.9 | 89 | 0 | 0 | 0 | 114.2 | |||||
| 183 | S | 32.9 | Very low | 38 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -140.3 | 161.1 | 164.3 | -50.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 184 | P | 47.8 | Very low | 37.9 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -152.8 | -178.3 | 85.1 | 37 | -15.2 | 0 | 0 | 0 | 116.4 | |||||
| 185 | G | 31.2 | Very low | 38.1 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -86.5 | -143.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 186 | P | 53.9 | Low | 38.1 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | cis | -142.7 | 179.2 | 2.2 | 44 | -26.2 | 0 | 0 | 0 | 116.7 | ||||
| 187 | S | 30.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 138 Ų | 138 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -177.2 | 151.3 | 137.7 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 188 | R | 34.3 | Very low | 38.4 | Very low | 230 Ų | 230 | 135.4 Ų | 135.4 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -128.1 | 164.4 | -164.5 | -130.6 | -162.4 | 80 | -172.4 | 5.8 | 113.9 | ||||
| 189 | P | 63.6 | Low | 37.9 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 58% | 0.584 | 79% | 0.79 | S | S | * | * | trans | -121.5 | 170.3 | 170 | 42.3 | -32.7 | 0 | 0 | 0 | 115.5 | ||||
| 190 | P | 52.2 | Low | 37.8 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -104.6 | 169.8 | 135.2 | 39 | -32.9 | 0 | 0 | 0 | 111 | ||||
| 191 | S | 38.6 | Very low | 38.2 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | -121.5 | -177.3 | 0.6 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 192 | G | 31.9 | Very low | 38.3 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | cis | 109.9 | 138 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 193 | I | 35.6 | Very low | 38.2 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | cis | -152.4 | 152.1 | -6.2 | -63.3 | 95.8 | 0 | 0 | 0 | 105.2 | ||||
| 194 | G | 28.1 | Very low | 38.8 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | cis | -167.8 | -142.3 | 7.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 195 | R | 36.2 | Very low | 38.1 | Very low | 228 Ų | 228 | 134.6 Ų | 134.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | cis | -154.1 | 110.4 | -6.8 | 178.1 | -174.5 | -177.2 | 170.1 | 1.2 | 109.7 | ||||
| 196 | I | 34.4 | Very low | 38.1 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | 42.5 | 114.1 | 143.9 | -29.4 | 168.3 | 0 | 0 | 0 | 121.4 | ||||
| 197 | Q | 40.3 | Very low | 37.3 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | 18 | 137.5 | 142.6 | -49.2 | 176.4 | 11.8 | 0 | 0 | 122.5 | ||||
| 198 | A | 29.6 | Very low | 37.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -142.6 | 152 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 199 | K | 47.2 | Very low | 38.5 | Very low | 201 Ų | 201 | 125 Ų | 125 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -116.1 | 125.8 | -171.9 | 39.3 | 179.9 | 169.7 | -178.3 | 0 | 109.5 | ||||
| 200 | S | 28.7 | Very low | 37.5 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -157.2 | 137.7 | 166.2 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 201 | L | 44.7 | Very low | 37.5 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | trans | -78.8 | 147.8 | 168.7 | -69.3 | 162.8 | 0 | 0 | 0 | 109.9 | ||||
| 202 | G | 32 | Very low | 38.6 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | trans | 94.3 | 96.5 | 160 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 203 | N | 28.2 | Very low | 40.4 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | -155.7 | 135.6 | 125 | -163.8 | 15 | 0 | 0 | 0 | 110.9 | |||||
| 204 | L | 45.3 | Very low | 42.2 | Very low | 174 Ų | 174 | 121 Ų | 121 | 91% | 0.911 | 69% | 0.694 | S | S | * | * | trans | -97.3 | 94.4 | 176.3 | -80.1 | 160.7 | 0 | 0 | 0 | 109.5 | ||||
| 205 | S | 34 | Very low | 44.4 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | trans | -170.4 | 131.2 | 163.1 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 206 | S | 31.8 | Very low | 46.1 | Very low | 93 Ų | 93 | 112 Ų | 112 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | trans | 70 | 70.4 | 164 | -156.7 | 0 | 0 | 0 | 0 | 116.6 | T208 | S206-T208 PolarHBondContact O-N 3.09Å; S206-T208 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 207 | L | 37.4 | Very low | 48.1 | Very low | 164 Ų | 164 | 106.9 Ų | 106.9 | 86% | 0.859 | 64% | 0.641 | S | S | * | * | trans | -61.5 | 94.5 | 132.7 | -75.2 | 171.5 | 0 | 0 | 0 | 106.2 | ||||
| 208 | T | 38.9 | Very low | 50.1 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | trans | -58.8 | 144.7 | 177 | 39.6 | 0 | 0 | 0 | 0 | 109.8 | S206 E210 | S206-T208 PolarHBondContact O-N 3.09Å; S206-T208 WeakPolarHBondContact OG-CG2 3.43Å; T208-E210 PolarHBondContact O-N 3.22Å | ||
| 209 | G | 48.8 | Very low | 52.8 | Low | 19 Ų | 19 | 98 Ų | 98 | 20% | 0.196 | 58% | 0.583 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | 60.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K228 | G209-K228 PolarHBondContact O-NZ 3.48Å; G209-K228 VanDerWaalsContact O-NZ 3.17Å |
| 210 | E | 43.7 | Very low | 54.6 | Low | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.5 | -32.4 | 172.1 | -57.5 | -109.9 | 113.6 | 0 | 0 | 109.4 | T208 I212 K228 | T208-E210 PolarHBondContact O-N 3.22Å; E210-I212 PolarHBondContact O-N 2.77Å; E210-K228 IonicContact OE1-NZ 2.86Å; E210-K228 PolarHBondContact OE1-NZ 3.38Å |
| 211 | D | 51.9 | Low | 57.4 | Low | 129 Ų | 129 | 88.3 Ų | 88.3 | 69% | 0.69 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -76 | -7.8 | 176.7 | -63.4 | -44.8 | 0 | 0 | 0 | 113.8 | P213 | D211-P213 WeakPolarHBondContact O-CD 3.49Š|
| 212 | I | 61.8 | Low | 59.4 | Low | 62 Ų | 62 | 86.5 Ų | 86.5 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -90.6 | 115.6 | 176.3 | -55.8 | 172.6 | 0 | 0 | 0 | 107.8 | E210 L214 L244 | E210-I212 PolarHBondContact O-N 2.77Å; I212-L214 PolarHBondContact O-N 3.06Å; I212-L244 HydrophobicContact CG2-CD1 3.84Å |
| 213 | P | 69 | Low | 62.1 | Low | 104 Ų | 104 | 84.5 Ų | 84.5 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 131.2 | 177.7 | 26.6 | -33.4 | 0 | 0 | 0 | 110.4 | D211 | D211-P213 WeakPolarHBondContact O-CD 3.49Š|
| 214 | L | 73.3 | Confident | 64.6 | Low | 61 Ų | 61 | 86.4 Ų | 86.4 | 32% | 0.319 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 141.2 | 174.3 | -67.6 | 164.2 | 0 | 0 | 0 | 110.3 | I212 W218 L220 Y230 | I212-L214 PolarHBondContact O-N 3.06Å; L214-W218 HydrophobicContact CB-CB 4.19Å; L214-W218 HydrophobicContact CD2-CB 4.45Å; L214-L220 HydrophobicContact CD1-CB 3.84Å; L214-Y230 HydrophobicContact CD2-CD1 3.78Å; L214-Y230 HydrophobicContact CD2-CE1 4.04Å |
| 215 | P | 75.6 | Confident | 66.4 | Low | 29 Ų | 29 | 89 Ų | 89 | 19% | 0.188 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 158.6 | 171.7 | -21.1 | 32.3 | 0 | 0 | 0 | 112.2 | G217 W218 P243 | P215-G217 PolarHBondContact O-N 3.26Å; P215-W218 HydrophobicContact CB-CG 4.27Å; P215-W218 HydrophobicContact CG-CG 4.37Å; P215-W218 WeakPolarHBondContact O-CB 3.34Å; P215-W218 PolarHBondContact O-N 2.92Å; P215-P243 HydrophobicContact CG-CG 3.85Å |
| 216 | A | 71.4 | Confident | 68.7 | Low | 84 Ų | 84 | 87.4 Ų | 87.4 | 69% | 0.694 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 134.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W218 N234 | A216-W218 VanDerWaalsContact C-N 3.29Å; A216-W218 PolarHBondContact O-N 2.9Å; A216-N234 PolarHBondContact O-ND2 2.89Å; A216-N234 VanDerWaalsContact O-ND2 3.09Å |
| 217 | G | 75.8 | Confident | 71.2 | Confident | 32 Ų | 32 | 89.8 Ų | 89.8 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 5.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P215 H233 | P215-G217 PolarHBondContact O-N 3.26Å; G217-H233 VanDerWaalsContact O-CB 3.3Å; G217-H233 WeakPolarHBondContact O-CB 3.36Å; G217-H233 PolarHBondContact O-CD2 3.06Å; G217-H233 PolarHBondContact O-N 2.7Å |
| 218 | W | 82.9 | Confident | 73.3 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 16% | 0.159 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 145.9 | 171.1 | -71 | 64.5 | 0 | 0 | 0 | 111.8 | L214 P215 A216 I231 D232 H239 P243 | L214-W218 HydrophobicContact CB-CB 4.19Å; L214-W218 HydrophobicContact CD2-CB 4.45Å; P215-W218 HydrophobicContact CB-CG 4.27Å; P215-W218 HydrophobicContact CG-CG 4.37Å; P215-W218 WeakPolarHBondContact O-CB 3.34Å; P215-W218 PolarHBondContact O-N 2.92Å; A216-W218 VanDerWaalsContact C-N 3.29Å; A216-W218 PolarHBondContact O-N 2.9Å; W218-I231 CarbonylContact C-O 3.57Å; W218-I231 VanDerWaalsContact CA-O 3.27Å; W218-I231 WeakPolarHBondContact CA-O 3.47Å; W218-D232 HydrophobicContact CD2-CB 3.96Å; W218-D232 HydrophobicContact CE3-CB 4.19Å; W218-D232 HydrophobicContact CH2-CB 3.91Å; W218-D232 HydrophobicContact CZ2-CB 3.62Å; W218-D232 HydrophobicContact CZ3-CB 4.18Å; W218-D232 PolarHBondContact NE1-OD1 3.08Å; W218-H239 AromaticContact CH2-CE1 3.61Å; W218-H239 AromaticContact CH2-ND1 3.36Å; W218-H239 WeakPolarHBondContact CH2-ND1 3.34Å; W218-H239 HydrophobicContact CZ3-CB 4.29Å; W218-H239 AromaticContact CZ3-ND1 3.52Å; W218-P243 HydrophobicContact CD2-CB 4.34Å; W218-P243 HydrophobicContact CD2-CG 3.77Å; W218-P243 HydrophobicContact CE3-CB 4.21Å; W218-P243 HydrophobicContact CE3-CG 3.61Å; W218-P243 HydrophobicContact CG-CG 4.45Å; W218-P243 HydrophobicContact CH2-CB 3.67Å; W218-P243 HydrophobicContact CH2-CG 4.03Å; W218-P243 HydrophobicContact CZ2-CB 3.82Å; W218-P243 HydrophobicContact CZ2-CG 4.18Å; W218-P243 HydrophobicContact CZ3-CB 3.88Å; W218-P243 HydrophobicContact CZ3-CG 3.74Å |
| 219 | T | 85.2 | Confident | 75.4 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 37% | 0.368 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.5 | 175.2 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | Y230 I231 H233 | T219-Y230 CarbonylContact O-C 3.55Å; T219-Y230 WeakPolarHBondContact O-CA 3.23Å; T219-I231 PolarHBondContact N-O 2.93Å; T219-I231 PolarHBondContact O-N 3.22Å; T219-H233 WeakPolarHBondContact CB-NE2 3.45Å; T219-H233 PolarHBondContact OG1-CD2 2.94Å; T219-H233 PolarHBondContact OG1-NE2 3.27Å |
| 220 | L | 86.3 | Confident | 77.1 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 28% | 0.283 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129 | 178.2 | 177 | -179.3 | 0 | 0 | 0 | 107.7 | L214 W222 K228 Y230 | L214-L220 HydrophobicContact CD1-CB 3.84Å; L220-W222 HydrophobicContact CD2-CZ2 4.22Å; L220-W222 VanDerWaalsContact CD2-NE1 3.34Å; L220-K228 HydrophobicContact CD2-CG 4.16Å; L220-K228 HydrophobicContact CG-CD 4.37Å; L220-K228 HydrophobicContact CG-CG 4.19Å; L220-Y230 HydrophobicContact CG-CE1 4.49Å |
| 221 | D | 87.8 | Confident | 79 | Confident | 66 Ų | 66 | 78.3 Ų | 78.3 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 171.5 | 173.7 | -171 | 27.7 | 0 | 0 | 0 | 111.3 | Y229 I231 | D221-Y229 VanDerWaalsContact C-CD1 3.47Å; D221-Y229 VanDerWaalsContact C-CE1 3.46Å; D221-Y229 HydrophobicContact CB-CD1 4.25Å; D221-Y229 HydrophobicContact CB-CE1 3.56Å; D221-Y229 HydrophobicContact CB-CE2 4.43Å; D221-Y229 PolarHBondContact N-O 3.14Å; D221-Y229 WeakPolarHBondContact O-CD1 3.2Å; D221-Y229 PolarHBondContact O-N 3.13Å; D221-Y229 VanDerWaalsContact O-O 3.09Å; D221-Y229 WeakPolarHBondContact OD2-CE1 3.4Å; D221-Y229 VanDerWaalsContact OD2-CZ 3.28Å; D221-Y229 PolarHBondContact OD2-OH 3.43Å; D221-I231 HydrophobicContact CB-CD1 4.01Å |
| 222 | W | 86.6 | Confident | 80.5 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 51% | 0.511 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.4 | -174.3 | -59.8 | 85.5 | 0 | 0 | 0 | 110.7 | L220 K228 | L220-W222 HydrophobicContact CD2-CZ2 4.22Å; L220-W222 VanDerWaalsContact CD2-NE1 3.34Å; W222-K228 HydrophobicContact CD2-CB 4.45Å; W222-K228 HydrophobicContact CE3-CB 3.94Å; W222-K228 HydrophobicContact CH2-CB 3.98Å; W222-K228 HydrophobicContact CH2-CD 4.12Å; W222-K228 HydrophobicContact CH2-CG 4.26Å; W222-K228 HydrophobicContact CZ2-CB 4.46Å; W222-K228 HydrophobicContact CZ2-CD 4.27Å; W222-K228 HydrophobicContact CZ2-CG 4.33Å; W222-K228 HydrophobicContact CZ3-CB 3.7Å; W222-K228 HydrophobicContact CZ3-CG 4.43Å |
| 223 | T | 87.3 | Confident | 81.3 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | trans | -61.3 | 156 | 169.5 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | R225 G226 R227 Y229 W240 | T223-R225 PolarHBondContact O-N 3.21Å; T223-G226 PolarHBondContact O-N 3.35Å; T223-R227 PolarHBondContact N-O 3.28Å; T223-R227 WeakPolarHBondContact OG1-CA 3.24Å; T223-R227 WeakPolarHBondContact OG1-CB 3.39Å; T223-R227 PolarHBondContact OG1-N 2.92Å; T223-R227 VanDerWaalsContact OG1-N 3.11Å; T223-R227 PolarHBondContact OG1-O 3.38Å; T223-Y229 HydrophobicContact CG2-CD1 3.83Å; T223-Y229 HydrophobicContact CG2-CE1 4.23Å; T223-W240 HydrophobicContact CG2-CH2 3.93Å; T223-W240 HydrophobicContact CG2-CZ3 3.95Å | ||
| 224 | I | 82.3 | Confident | 81.7 | Confident | 184 Ų | 184 | 74.3 Ų | 74.3 | 94% | 0.944 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -11.6 | 174.6 | 64.1 | 172.2 | 0 | 0 | 0 | 114.8 | ||
| 225 | R | 83 | Confident | 82 | Confident | 230 Ų | 230 | 75.3 Ų | 75.3 | 87% | 0.868 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.8 | 176 | -62.2 | -178.5 | 64.2 | -175.2 | -0.5 | 113.3 | T223 R227 | T223-R225 PolarHBondContact O-N 3.21Å; R225-R227 VanDerWaalsContact C-N 3.3Å; R225-R227 PolarHBondContact O-N 3.08Å |
| 226 | G | 81.4 | Confident | 82.4 | Confident | 55 Ų | 55 | 80.6 Ų | 80.6 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 73.5 | 13.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T223 | T223-G226 PolarHBondContact O-N 3.35Š|
| 227 | R | 84.2 | Confident | 82.4 | Confident | 143 Ų | 143 | 79.2 Ų | 79.2 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | trans | -90.9 | 123.3 | 174.9 | -173.4 | 178.3 | -178.3 | -176.2 | 2.3 | 110.3 | T223 R225 W240 | T223-R227 PolarHBondContact N-O 3.28Å; T223-R227 WeakPolarHBondContact OG1-CA 3.24Å; T223-R227 WeakPolarHBondContact OG1-CB 3.39Å; T223-R227 PolarHBondContact OG1-N 2.92Å; T223-R227 VanDerWaalsContact OG1-N 3.11Å; T223-R227 PolarHBondContact OG1-O 3.38Å; R225-R227 VanDerWaalsContact C-N 3.3Å; R225-R227 PolarHBondContact O-N 3.08Å; R227-W240 HydrophobicContact CG-CE3 4.3Å; R227-W240 HydrophobicContact CG-CZ3 4.04Å | ||
| 228 | K | 83 | Confident | 82.8 | Confident | 34 Ų | 34 | 82.2 Ų | 82.2 | 15% | 0.148 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 138.2 | 171.8 | -166.8 | 171.8 | -174.6 | 168.9 | 0 | 110.9 | G209 E210 L220 W222 Y230 | G209-K228 PolarHBondContact O-NZ 3.48Å; G209-K228 VanDerWaalsContact O-NZ 3.17Å; E210-K228 IonicContact OE1-NZ 2.86Å; E210-K228 PolarHBondContact OE1-NZ 3.38Å; L220-K228 HydrophobicContact CD2-CG 4.16Å; L220-K228 HydrophobicContact CG-CD 4.37Å; L220-K228 HydrophobicContact CG-CG 4.19Å; W222-K228 HydrophobicContact CD2-CB 4.45Å; W222-K228 HydrophobicContact CE3-CB 3.94Å; W222-K228 HydrophobicContact CH2-CB 3.98Å; W222-K228 HydrophobicContact CH2-CD 4.12Å; W222-K228 HydrophobicContact CH2-CG 4.26Å; W222-K228 HydrophobicContact CZ2-CB 4.46Å; W222-K228 HydrophobicContact CZ2-CD 4.27Å; W222-K228 HydrophobicContact CZ2-CG 4.33Å; W222-K228 HydrophobicContact CZ3-CB 3.7Å; W222-K228 HydrophobicContact CZ3-CG 4.43Å; K228-Y230 WeakPolarHBondContact CE-OH 3.3Å; K228-Y230 HydrophobicContact CG-CE2 4.49Å |
| 229 | Y | 81.4 | Confident | 82.6 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 161.6 | 169.3 | 74.1 | -74.6 | 0 | 0 | 0 | 110 | D221 T223 I231 T238 | D221-Y229 VanDerWaalsContact C-CD1 3.47Å; D221-Y229 VanDerWaalsContact C-CE1 3.46Å; D221-Y229 HydrophobicContact CB-CD1 4.25Å; D221-Y229 HydrophobicContact CB-CE1 3.56Å; D221-Y229 HydrophobicContact CB-CE2 4.43Å; D221-Y229 PolarHBondContact N-O 3.14Å; D221-Y229 WeakPolarHBondContact O-CD1 3.2Å; D221-Y229 PolarHBondContact O-N 3.13Å; D221-Y229 VanDerWaalsContact O-O 3.09Å; D221-Y229 WeakPolarHBondContact OD2-CE1 3.4Å; D221-Y229 VanDerWaalsContact OD2-CZ 3.28Å; D221-Y229 PolarHBondContact OD2-OH 3.43Å; T223-Y229 HydrophobicContact CG2-CD1 3.83Å; T223-Y229 HydrophobicContact CG2-CE1 4.23Å; Y229-I231 HydrophobicContact CD2-CG1 4.09Å; Y229-I231 HydrophobicContact CE2-CD1 3.92Å; Y229-I231 HydrophobicContact CE2-CG1 3.63Å; Y229-T238 HydrophobicContact CD2-CG2 4.21Å; Y229-T238 HydrophobicContact CE2-CG2 4.11Å |
| 230 | Y | 84.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 87.9 Ų | 87.9 | 6% | 0.063 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.4 | -175.7 | -55.7 | -88.7 | 0 | 0 | 0 | 109.5 | L214 T219 L220 K228 T238 H239 S241 H242 | L214-Y230 HydrophobicContact CD2-CD1 3.78Å; L214-Y230 HydrophobicContact CD2-CE1 4.04Å; T219-Y230 CarbonylContact O-C 3.55Å; T219-Y230 WeakPolarHBondContact O-CA 3.23Å; L220-Y230 HydrophobicContact CG-CE1 4.49Å; K228-Y230 WeakPolarHBondContact CE-OH 3.3Å; K228-Y230 HydrophobicContact CG-CE2 4.49Å; Y230-T238 CarbonylContact O-C 3.52Å; Y230-T238 VanDerWaalsContact O-CA 3.28Å; Y230-T238 WeakPolarHBondContact O-CA 3.31Å; Y230-H239 PolarHBondContact N-O 2.98Å; Y230-H239 PolarHBondContact O-N 3.41Å; Y230-S241 WeakPolarHBondContact CD2-O 3.49Å; Y230-H242 HydrophobicContact CE1-CB 3.98Å; Y230-H242 AromaticContact CE1-CD2 3.53Å; Y230-H242 HydrophobicContact CE2-CB 3.99Å; Y230-H242 VanDerWaalsContact CE2-N 3.26Å; Y230-H242 AromaticContact CZ-CD2 3.95Å |
| 231 | I | 84.9 | Confident | 81.8 | Confident | 36 Ų | 36 | 88.2 Ų | 88.2 | 19% | 0.185 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.6 | -178.8 | -54 | 171.4 | 0 | 0 | 0 | 107.1 | W218 T219 D221 Y229 T238 | W218-I231 CarbonylContact C-O 3.57Å; W218-I231 VanDerWaalsContact CA-O 3.27Å; W218-I231 WeakPolarHBondContact CA-O 3.47Å; T219-I231 PolarHBondContact N-O 2.93Å; T219-I231 PolarHBondContact O-N 3.22Å; D221-I231 HydrophobicContact CB-CD1 4.01Å; Y229-I231 HydrophobicContact CD2-CG1 4.09Å; Y229-I231 HydrophobicContact CE2-CD1 3.92Å; Y229-I231 HydrophobicContact CE2-CG1 3.63Å; I231-T238 HydrophobicContact CG1-CG2 4.18Å |
| 232 | D | 83.5 | Confident | 81.1 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 5% | 0.053 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.7 | 170.4 | 178.5 | 21.2 | 0 | 0 | 0 | 109.5 | W218 N234 T235 N236 T237 | W218-D232 HydrophobicContact CD2-CB 3.96Å; W218-D232 HydrophobicContact CE3-CB 4.19Å; W218-D232 HydrophobicContact CH2-CB 3.91Å; W218-D232 HydrophobicContact CZ2-CB 3.62Å; W218-D232 HydrophobicContact CZ3-CB 4.18Å; W218-D232 PolarHBondContact NE1-OD1 3.08Å; D232-N234 PolarHBondContact O-N 2.89Å; D232-N234 VanDerWaalsContact OD1-CB 3.24Å; D232-N234 WeakPolarHBondContact OD1-CB 3.25Å; D232-N234 PolarHBondContact OD1-N 2.87Å; D232-N234 PolarHBondContact OD1-ND2 3.25Å; D232-T235 WeakPolarHBondContact OD2-CB 3.43Å; D232-T235 WeakPolarHBondContact OD2-CG2 3.43Å; D232-T235 PolarHBondContact OD2-N 3.37Å; D232-T235 PolarHBondContact OD2-OG1 3.07Å; D232-N236 WeakPolarHBondContact O-CA 3.35Å; D232-N236 PolarHBondContact O-N 3.23Å; D232-T237 PolarHBondContact N-O 3.47Å; D232-T237 PolarHBondContact O-N 3.31Å |
| 233 | H | 79.1 | Confident | 79.9 | Confident | 94 Ų | 94 | 80.3 Ų | 80.3 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.7 | 177.1 | -56.9 | -68.9 | 0 | 0 | 0 | 112.8 | G217 T219 | G217-H233 VanDerWaalsContact O-CB 3.3Å; G217-H233 WeakPolarHBondContact O-CB 3.36Å; G217-H233 PolarHBondContact O-CD2 3.06Å; G217-H233 PolarHBondContact O-N 2.7Å; T219-H233 WeakPolarHBondContact CB-NE2 3.45Å; T219-H233 PolarHBondContact OG1-CD2 2.94Å; T219-H233 PolarHBondContact OG1-NE2 3.27Å |
| 234 | N | 76.4 | Confident | 78.8 | Confident | 107 Ų | 107 | 80.1 Ų | 80.1 | 57% | 0.572 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -35.8 | 176.3 | -52.8 | -76.6 | 0 | 0 | 0 | 111.3 | A216 D232 | A216-N234 PolarHBondContact O-ND2 2.89Å; A216-N234 VanDerWaalsContact O-ND2 3.09Å; D232-N234 PolarHBondContact O-N 2.89Å; D232-N234 VanDerWaalsContact OD1-CB 3.24Å; D232-N234 WeakPolarHBondContact OD1-CB 3.25Å; D232-N234 PolarHBondContact OD1-N 2.87Å; D232-N234 PolarHBondContact OD1-ND2 3.25Å |
| 235 | T | 80.2 | Confident | 78 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -6.5 | 178.8 | 62.9 | 0 | 0 | 0 | 0 | 114 | D232 T237 | D232-T235 WeakPolarHBondContact OD2-CB 3.43Å; D232-T235 WeakPolarHBondContact OD2-CG2 3.43Å; D232-T235 PolarHBondContact OD2-N 3.37Å; D232-T235 PolarHBondContact OD2-OG1 3.07Å; T235-T237 PolarHBondContact OG1-OG1 3.5Å |
| 236 | N | 83.6 | Confident | 76.5 | Confident | 140 Ų | 140 | 73.2 Ų | 73.2 | 75% | 0.749 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 43.1 | -172.2 | -59.1 | -74.2 | 0 | 0 | 0 | 113.1 | D232 | D232-N236 WeakPolarHBondContact O-CA 3.35Å; D232-N236 PolarHBondContact O-N 3.23Å |
| 237 | T | 71.7 | Confident | 75.3 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 34% | 0.344 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 163.5 | -179.1 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | D232 T235 H239 | D232-T237 PolarHBondContact N-O 3.47Å; D232-T237 PolarHBondContact O-N 3.31Å; T235-T237 PolarHBondContact OG1-OG1 3.5Å; T237-H239 PolarHBondContact OG1-CE1 3.01Å |
| 238 | T | 84.3 | Confident | 74 | Confident | 94 Ų | 94 | 74.2 Ų | 74.2 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.7 | 178.4 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | Y229 Y230 I231 | Y229-T238 HydrophobicContact CD2-CG2 4.21Å; Y229-T238 HydrophobicContact CE2-CG2 4.11Å; Y230-T238 CarbonylContact O-C 3.52Å; Y230-T238 VanDerWaalsContact O-CA 3.28Å; Y230-T238 WeakPolarHBondContact O-CA 3.31Å; I231-T238 HydrophobicContact CG1-CG2 4.18Å |
| 239 | H | 77.7 | Confident | 73.3 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.3 | -170.4 | -62.8 | 93.3 | 0 | 0 | 0 | 111.2 | W218 Y230 T237 | W218-H239 AromaticContact CH2-CE1 3.61Å; W218-H239 AromaticContact CH2-ND1 3.36Å; W218-H239 WeakPolarHBondContact CH2-ND1 3.34Å; W218-H239 HydrophobicContact CZ3-CB 4.29Å; W218-H239 AromaticContact CZ3-ND1 3.52Å; Y230-H239 PolarHBondContact N-O 2.98Å; Y230-H239 PolarHBondContact O-N 3.41Å; T237-H239 PolarHBondContact OG1-CE1 3.01Å |
| 240 | W | 82.1 | Confident | 72.8 | Confident | 150 Ų | 150 | 75.1 Ų | 75.1 | 57% | 0.568 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -90.2 | -13.7 | 178.2 | -65.8 | 108.7 | 0 | 0 | 0 | 114 | T223 R227 | T223-W240 HydrophobicContact CG2-CH2 3.93Å; T223-W240 HydrophobicContact CG2-CZ3 3.95Å; R227-W240 HydrophobicContact CG-CE3 4.3Å; R227-W240 HydrophobicContact CG-CZ3 4.04Å |
| 241 | S | 73.5 | Confident | 72.1 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -116.9 | 152.9 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | Y230 | Y230-S241 WeakPolarHBondContact CD2-O 3.49Š|
| 242 | H | 71.9 | Confident | 71.5 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.009 | 43% | 0.427 | C | S | . | . | trans | -70.9 | 139.4 | 174.2 | -172.1 | -68.6 | 0 | 0 | 0 | 108.8 | Y230 L244 D245 | Y230-H242 HydrophobicContact CE1-CB 3.98Å; Y230-H242 AromaticContact CE1-CD2 3.53Å; Y230-H242 HydrophobicContact CE2-CB 3.99Å; Y230-H242 VanDerWaalsContact CE2-N 3.26Å; Y230-H242 AromaticContact CZ-CD2 3.95Å; H242-L244 PolarHBondContact ND1-N 2.87Å; H242-L244 PolarHBondContact O-N 3.37Å; H242-D245 HydrophobicContact CB-CB 3.86Å; H242-D245 PolarHBondContact O-N 3.27Å; H242-D245 VanDerWaalsContact O-N 3.1Å | ||
| 243 | P | 62.4 | Low | 71.3 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 2.5 | -176.5 | 25.5 | -38.3 | 0 | 0 | 0 | 116.4 | P215 W218 | P215-P243 HydrophobicContact CG-CG 3.85Å; W218-P243 HydrophobicContact CD2-CB 4.34Å; W218-P243 HydrophobicContact CD2-CG 3.77Å; W218-P243 HydrophobicContact CE3-CB 4.21Å; W218-P243 HydrophobicContact CE3-CG 3.61Å; W218-P243 HydrophobicContact CG-CG 4.45Å; W218-P243 HydrophobicContact CH2-CB 3.67Å; W218-P243 HydrophobicContact CH2-CG 4.03Å; W218-P243 HydrophobicContact CZ2-CB 3.82Å; W218-P243 HydrophobicContact CZ2-CG 4.18Å; W218-P243 HydrophobicContact CZ3-CB 3.88Å; W218-P243 HydrophobicContact CZ3-CG 3.74Å |
| 244 | L | 64.3 | Low | 71.4 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -0.7 | -176.9 | -60.7 | 178.1 | 0 | 0 | 0 | 112.9 | I212 H242 H277 | I212-L244 HydrophobicContact CG2-CD1 3.84Å; H242-L244 PolarHBondContact ND1-N 2.87Å; H242-L244 PolarHBondContact O-N 3.37Å; L244-H277 HydrophobicContact CD2-CB 4.36Å |
| 245 | D | 64.2 | Low | 71.5 | Confident | 73 Ų | 73 | 80 Ų | 80 | 39% | 0.39 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -47.9 | -166.9 | -166.4 | 15 | 0 | 0 | 0 | 111.8 | H242 | H242-D245 HydrophobicContact CB-CB 3.86Å; H242-D245 PolarHBondContact O-N 3.27Å; H242-D245 VanDerWaalsContact O-N 3.1Å |
| 246 | R | 52.9 | Low | 71.5 | Confident | 197 Ų | 197 | 77.7 Ų | 77.7 | 74% | 0.743 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -146.3 | 153.6 | 167.1 | -65.2 | -165.5 | 175.4 | -128.7 | -9.8 | 112.3 | G248 | R246-G248 PolarHBondContact O-N 3.33Š|
| 247 | E | 55 | Low | 71.2 | Confident | 189 Ų | 189 | 77.4 Ų | 77.4 | 88% | 0.883 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 64.8 | 12.1 | -179.2 | -74 | 103.9 | -157.1 | 0 | 0 | 118.8 | ||
| 248 | G | 56.8 | Low | 71.3 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | trans | -93.5 | 1.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | R246 H277 C279 | R246-G248 PolarHBondContact O-N 3.33Å; G248-H277 PolarHBondContact O-CE1 2.84Å; G248-C279 PolarHBondContact O-SG 3.14Å; G248-C279 VanDerWaalsContact O-SG 3.35Å | ||
| 249 | L | 69.4 | Low | 70.7 | Confident | 56 Ų | 56 | 77.6 Ų | 77.6 | 29% | 0.293 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -90.2 | 137 | -174.1 | -70 | 176.9 | 0 | 0 | 0 | 112 | W253 K255 Y265 H277 P278 | L249-W253 HydrophobicContact CB-CB 3.99Å; L249-W253 HydrophobicContact CD2-CB 4.24Å; L249-W253 HydrophobicContact CG-CB 4.49Å; L249-K255 HydrophobicContact CD1-CB 4.13Å; L249-Y265 HydrophobicContact CD1-CD1 4.36Å; L249-Y265 HydrophobicContact CD2-CD1 3.67Å; L249-Y265 HydrophobicContact CD2-CE1 3.99Å; L249-H277 WeakPolarHBondContact CD2-NE2 3.48Å; L249-P278 HydrophobicContact CD2-CG 3.6Å |
| 250 | P | 71.2 | Confident | 70.4 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 159.7 | 172.9 | -19.2 | 30.9 | 0 | 0 | 0 | 112.2 | G252 W253 P278 | P250-G252 PolarHBondContact O-N 3.36Å; P250-W253 HydrophobicContact CB-CG 4.39Å; P250-W253 HydrophobicContact CG-CG 4.38Å; P250-W253 WeakPolarHBondContact O-CB 3.39Å; P250-W253 PolarHBondContact O-N 3.12Å; P250-P278 VanDerWaalsContact CD-CG 3.42Å; P250-P278 HydrophobicContact CG-CB 4.11Å; P250-P278 HydrophobicContact CG-CG 4.1Å |
| 251 | P | 69.8 | Low | 70 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 75% | 0.753 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 132.7 | 174.4 | -25.8 | 34.9 | 0 | 0 | 0 | 111.7 | I269 | P251-I269 VanDerWaalsContact O-CD1 3.26Å; P251-I269 WeakPolarHBondContact O-CD1 3.44Å |
| 252 | G | 71 | Confident | 70.1 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -2.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P250 H268 | P250-G252 PolarHBondContact O-N 3.36Å; G252-H268 WeakPolarHBondContact O-CB 3.23Å; G252-H268 PolarHBondContact O-CD2 3.46Å; G252-H268 PolarHBondContact O-N 3.21Å |
| 253 | W | 79.1 | Confident | 70.4 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.4 | 176.2 | -71.2 | 69.5 | 0 | 0 | 0 | 112.4 | L249 P250 M266 D267 Q274 P278 | L249-W253 HydrophobicContact CB-CB 3.99Å; L249-W253 HydrophobicContact CD2-CB 4.24Å; L249-W253 HydrophobicContact CG-CB 4.49Å; P250-W253 HydrophobicContact CB-CG 4.39Å; P250-W253 HydrophobicContact CG-CG 4.38Å; P250-W253 WeakPolarHBondContact O-CB 3.39Å; P250-W253 PolarHBondContact O-N 3.12Å; W253-M266 CarbonylContact C-O 3.58Å; W253-M266 VanDerWaalsContact CA-O 3.29Å; W253-M266 WeakPolarHBondContact CA-O 3.41Å; W253-D267 HydrophobicContact CD2-CB 3.96Å; W253-D267 HydrophobicContact CE3-CB 4.2Å; W253-D267 HydrophobicContact CH2-CB 3.95Å; W253-D267 HydrophobicContact CZ2-CB 3.68Å; W253-D267 VanDerWaalsContact CZ2-OD2 3.23Å; W253-D267 WeakPolarHBondContact CZ2-OD2 3.35Å; W253-D267 HydrophobicContact CZ3-CB 4.2Å; W253-D267 PolarHBondContact NE1-OD2 2.88Å; W253-Q274 VanDerWaalsContact CH2-CD 3.46Å; W253-Q274 HydrophobicContact CH2-CG 4.02Å; W253-Q274 HydrophobicContact CZ3-CG 3.67Å; W253-P278 HydrophobicContact CD2-CB 3.89Å; W253-P278 HydrophobicContact CD2-CG 3.75Å; W253-P278 HydrophobicContact CE3-CB 3.83Å; W253-P278 HydrophobicContact CE3-CG 3.59Å; W253-P278 HydrophobicContact CG-CG 4.18Å; W253-P278 HydrophobicContact CH2-CB 4.02Å; W253-P278 HydrophobicContact CZ2-CB 4.07Å; W253-P278 HydrophobicContact CZ3-CB 3.89Å; W253-P278 HydrophobicContact CZ3-CG 4.08Å |
| 254 | E | 81.8 | Confident | 71.2 | Confident | 99 Ų | 99 | 79.1 Ų | 79.1 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.1 | 176.8 | -177.9 | 173.3 | -163 | 0 | 0 | 110.9 | V256 Y265 M266 H268 | E254-V256 HydrophobicContact CG-CG2 4.08Å; E254-Y265 CarbonylContact O-C 3.52Å; E254-Y265 VanDerWaalsContact O-CA 3.26Å; E254-Y265 WeakPolarHBondContact O-CA 3.16Å; E254-M266 PolarHBondContact N-O 3.43Å; E254-M266 PolarHBondContact O-N 3.28Å; E254-H268 WeakPolarHBondContact CB-NE2 3.45Å; E254-H268 IonicContact OE2-CD2 3.92Å; E254-H268 IonicContact OE2-CE1 2.61Å; E254-H268 PolarHBondContact OE2-CE1 2.78Å; E254-H268 IonicContact OE2-NE2 2.67Å; E254-H268 PolarHBondContact OE2-NE2 3.1Å |
| 255 | K | 79.6 | Confident | 72.2 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 30% | 0.296 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.4 | 168.9 | -177.2 | -162.8 | -175.8 | -157.5 | 0 | 108.6 | L249 E257 V263 Y265 | L249-K255 HydrophobicContact CD1-CB 4.13Å; K255-E257 VanDerWaalsContact CE-OE1 3.25Å; K255-E257 WeakPolarHBondContact CE-OE1 3.28Å; K255-E257 IonicContact NZ-OE1 2.66Å; K255-E257 PolarHBondContact NZ-OE1 3.21Å; K255-V263 HydrophobicContact CD-CG1 4.28Å; K255-V263 HydrophobicContact CG-CG1 3.95Å; K255-Y265 HydrophobicContact CB-CD1 3.99Å; K255-Y265 HydrophobicContact CB-CE1 3.89Å; K255-Y265 HydrophobicContact CD-CE1 4.44Å; K255-Y265 HydrophobicContact CG-CD1 4.2Å; K255-Y265 HydrophobicContact CG-CE1 3.76Å |
| 256 | V | 79.6 | Confident | 73 | Confident | 32 Ų | 32 | 76 Ų | 76 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136 | 178.6 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | E254 Y264 M266 | E254-V256 HydrophobicContact CG-CG2 4.08Å; V256-Y264 HydrophobicContact CB-CD1 4.35Å; V256-Y264 HydrophobicContact CB-CD2 4.34Å; V256-Y264 HydrophobicContact CB-CE1 3.9Å; V256-Y264 HydrophobicContact CB-CE2 3.91Å; V256-Y264 HydrophobicContact CG1-CE1 3.78Å; V256-Y264 HydrophobicContact CG1-CE2 4.26Å; V256-Y264 WeakPolarHBondContact CG1-OH 3.39Å; V256-Y264 HydrophobicContact CG2-CE2 4.37Å; V256-Y264 PolarHBondContact N-O 3.01Å; V256-Y264 PolarHBondContact O-N 2.86Å; V256-Y264 VanDerWaalsContact O-O 3.07Å; V256-M266 HydrophobicContact CG2-CB 4.42Å; V256-M266 HydrophobicContact CG2-CG 4.03Å; V256-M266 HydrophobicContact CG2-SD 3.88Å |
| 257 | E | 76.2 | Confident | 74.4 | Confident | 134 Ų | 134 | 67 Ų | 67 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 109.8 | 179.4 | -54.6 | -170.8 | 167.7 | 0 | 0 | 108.7 | K255 V263 | K255-E257 VanDerWaalsContact CE-OE1 3.25Å; K255-E257 WeakPolarHBondContact CE-OE1 3.28Å; K255-E257 IonicContact NZ-OE1 2.66Å; K255-E257 PolarHBondContact NZ-OE1 3.21Å; E257-V263 HydrophobicContact CG-CG2 4.22Å |
| 258 | S | 74.6 | Confident | 75.5 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 143.4 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | E260 F261 G262 | S258-E260 PolarHBondContact O-N 2.9Å; S258-E260 PolarHBondContact OG-N 3.26Å; S258-E260 VanDerWaalsContact OG-N 3.12Å; S258-F261 PolarHBondContact OG-N 3.31Å; S258-G262 PolarHBondContact N-O 3.33Å; S258-G262 WeakPolarHBondContact O-CA 3.42Å; S258-G262 PolarHBondContact O-N 2.91Å |
| 259 | A | 71.4 | Confident | 76.5 | Confident | 119 Ų | 119 | 67 Ų | 67 | 98% | 0.983 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 260 | E | 71.7 | Confident | 77 | Confident | 157 Ų | 157 | 68.9 Ų | 68.9 | 73% | 0.734 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -43.5 | -178.1 | -175.8 | 177.5 | -175.8 | 0 | 0 | 112 | S258 | S258-E260 PolarHBondContact O-N 2.9Å; S258-E260 PolarHBondContact OG-N 3.26Å; S258-E260 VanDerWaalsContact OG-N 3.12Å |
| 261 | F | 72.8 | Confident | 77.3 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -6.3 | -175.2 | -59.3 | -75.9 | 0 | 0 | 0 | 113.6 | S258 Y264 Y275 P292 | S258-F261 PolarHBondContact OG-N 3.31Å; F261-Y264 HydrophobicContact CB-CD1 4.45Å; F261-Y275 HydrophobicContact CB-CE1 4.18Å; F261-Y275 WeakPolarHBondContact CD1-OH 3.35Å; F261-Y275 VanDerWaalsContact O-CE1 3.23Å; F261-Y275 WeakPolarHBondContact O-CE1 3.34Å; F261-P292 HydrophobicContact CB-CG 4.32Å; F261-P292 HydrophobicContact CD1-CB 4.48Å; F261-P292 HydrophobicContact CD2-CB 3.96Å; F261-P292 HydrophobicContact CD2-CG 4.1Å; F261-P292 HydrophobicContact CE2-CB 4.07Å; F261-P292 HydrophobicContact CG-CB 4.2Å; F261-P292 HydrophobicContact CG-CG 4.06Å; F261-P292 HydrophobicContact CZ-CB 4.38Å |
| 262 | G | 76.4 | Confident | 77.8 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.8 | -147.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S258 | S258-G262 PolarHBondContact N-O 3.33Å; S258-G262 WeakPolarHBondContact O-CA 3.42Å; S258-G262 PolarHBondContact O-N 2.91Å |
| 263 | V | 78 | Confident | 78.3 | Confident | 61 Ų | 61 | 74 Ų | 74 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.3 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | K255 E257 Y265 | K255-V263 HydrophobicContact CD-CG1 4.28Å; K255-V263 HydrophobicContact CG-CG1 3.95Å; E257-V263 HydrophobicContact CG-CG2 4.22Å; V263-Y265 HydrophobicContact CG1-CE2 4.47Å |
| 264 | Y | 80.5 | Confident | 78.4 | Confident | 22 Ų | 22 | 75 Ų | 75 | 9% | 0.086 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 169.9 | 171.3 | 66.1 | -80.3 | 0 | 0 | 0 | 111.5 | V256 F261 M266 A273 P292 | V256-Y264 HydrophobicContact CB-CD1 4.35Å; V256-Y264 HydrophobicContact CB-CD2 4.34Å; V256-Y264 HydrophobicContact CB-CE1 3.9Å; V256-Y264 HydrophobicContact CB-CE2 3.91Å; V256-Y264 HydrophobicContact CG1-CE1 3.78Å; V256-Y264 HydrophobicContact CG1-CE2 4.26Å; V256-Y264 WeakPolarHBondContact CG1-OH 3.39Å; V256-Y264 HydrophobicContact CG2-CE2 4.37Å; V256-Y264 PolarHBondContact N-O 3.01Å; V256-Y264 PolarHBondContact O-N 2.86Å; V256-Y264 VanDerWaalsContact O-O 3.07Å; F261-Y264 HydrophobicContact CB-CD1 4.45Å; Y264-M266 HydrophobicContact CD2-CG 4Å; Y264-M266 HydrophobicContact CE2-CG 3.58Å; Y264-M266 HydrophobicContact CE2-SD 3.83Å; Y264-A273 HydrophobicContact CD2-CB 4Å; Y264-A273 HydrophobicContact CE2-CB 4.28Å; Y264-P292 HydrophobicContact CD1-CG 4.27Å; Y264-P292 HydrophobicContact CD2-CG 4.07Å; Y264-P292 HydrophobicContact CE1-CG 4Å; Y264-P292 HydrophobicContact CE2-CG 3.75Å; Y264-P292 HydrophobicContact CG-CG 4.31Å |
| 265 | Y | 83.8 | Confident | 78.4 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.6 | -178.3 | -56.8 | -88.8 | 0 | 0 | 0 | 109.1 | L249 E254 K255 V263 A273 Q274 Y275 R276 H277 | L249-Y265 HydrophobicContact CD1-CD1 4.36Å; L249-Y265 HydrophobicContact CD2-CD1 3.67Å; L249-Y265 HydrophobicContact CD2-CE1 3.99Å; E254-Y265 CarbonylContact O-C 3.52Å; E254-Y265 VanDerWaalsContact O-CA 3.26Å; E254-Y265 WeakPolarHBondContact O-CA 3.16Å; K255-Y265 HydrophobicContact CB-CD1 3.99Å; K255-Y265 HydrophobicContact CB-CE1 3.89Å; K255-Y265 HydrophobicContact CD-CE1 4.44Å; K255-Y265 HydrophobicContact CG-CD1 4.2Å; K255-Y265 HydrophobicContact CG-CE1 3.76Å; V263-Y265 HydrophobicContact CG1-CE2 4.47Å; Y265-A273 CarbonylContact O-C 3.5Å; Y265-A273 WeakPolarHBondContact O-CA 3.36Å; Y265-Q274 PolarHBondContact N-O 2.93Å; Y265-Q274 PolarHBondContact O-N 3.39Å; Y265-Y275 WeakPolarHBondContact CD2-O 3.38Å; Y265-Y275 WeakPolarHBondContact CE2-O 3.13Å; Y265-R276 VanDerWaalsContact CD2-C 3.49Å; Y265-H277 HydrophobicContact CD2-CB 4.42Å; Y265-H277 HydrophobicContact CE1-CB 4.23Å; Y265-H277 AromaticContact CE1-CD2 3.46Å; Y265-H277 VanDerWaalsContact CE1-CD2 3.46Å; Y265-H277 WeakPolarHBondContact CE1-CD2 3.43Å; Y265-H277 HydrophobicContact CE2-CB 3.86Å; Y265-H277 AromaticContact CZ-CD2 3.69Å |
| 266 | M | 81.6 | Confident | 78.1 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.5 | 174.5 | -73.2 | -175.8 | 58.5 | 0 | 0 | 110.1 | W253 E254 V256 Y264 R272 A273 P294 | W253-M266 CarbonylContact C-O 3.58Å; W253-M266 VanDerWaalsContact CA-O 3.29Å; W253-M266 WeakPolarHBondContact CA-O 3.41Å; E254-M266 PolarHBondContact N-O 3.43Å; E254-M266 PolarHBondContact O-N 3.28Å; V256-M266 HydrophobicContact CG2-CB 4.42Å; V256-M266 HydrophobicContact CG2-CG 4.03Å; V256-M266 HydrophobicContact CG2-SD 3.88Å; Y264-M266 HydrophobicContact CD2-CG 4Å; Y264-M266 HydrophobicContact CE2-CG 3.58Å; Y264-M266 HydrophobicContact CE2-SD 3.83Å; M266-R272 CarbonylContact C-O 3.53Å; M266-R272 WeakPolarHBondContact CA-O 3.38Å; M266-A273 HydrophobicContact CG-CB 4.33Å; M266-P294 HydrophobicContact CE-CB 4.28Å |
| 267 | D | 82.4 | Confident | 78 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108 | 165.6 | -176.6 | -21.9 | 0 | 0 | 0 | 108.1 | W253 I269 N270 E271 R272 | W253-D267 HydrophobicContact CD2-CB 3.96Å; W253-D267 HydrophobicContact CE3-CB 4.2Å; W253-D267 HydrophobicContact CH2-CB 3.95Å; W253-D267 HydrophobicContact CZ2-CB 3.68Å; W253-D267 VanDerWaalsContact CZ2-OD2 3.23Å; W253-D267 WeakPolarHBondContact CZ2-OD2 3.35Å; W253-D267 HydrophobicContact CZ3-CB 4.2Å; W253-D267 PolarHBondContact NE1-OD2 2.88Å; D267-I269 VanDerWaalsContact C-N 3.29Å; D267-I269 WeakPolarHBondContact OD1-CA 3.34Å; D267-I269 WeakPolarHBondContact OD1-CB 3.38Å; D267-I269 PolarHBondContact OD1-N 2.79Å; D267-N270 PolarHBondContact OD1-N 2.96Å; D267-N270 PolarHBondContact OD2-ND2 3.39Å; D267-E271 VanDerWaalsContact O-CA 3.26Å; D267-E271 WeakPolarHBondContact O-CA 3.38Å; D267-E271 PolarHBondContact O-N 3.03Å; D267-R272 HydrophobicContact CB-CB 4.49Å; D267-R272 PolarHBondContact N-O 3.24Å; D267-R272 PolarHBondContact O-N 3.08Å; D267-R272 VanDerWaalsContact O-N 3.08Å |
| 268 | H | 77.4 | Confident | 77.9 | Confident | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.3 | 178.2 | -65.6 | -69.5 | 0 | 0 | 0 | 113.6 | G252 E254 | G252-H268 WeakPolarHBondContact O-CB 3.23Å; G252-H268 PolarHBondContact O-CD2 3.46Å; G252-H268 PolarHBondContact O-N 3.21Å; E254-H268 WeakPolarHBondContact CB-NE2 3.45Å; E254-H268 IonicContact OE2-CD2 3.92Å; E254-H268 IonicContact OE2-CE1 2.61Å; E254-H268 PolarHBondContact OE2-CE1 2.78Å; E254-H268 IonicContact OE2-NE2 2.67Å; E254-H268 PolarHBondContact OE2-NE2 3.1Å |
| 269 | I | 79.1 | Confident | 77.7 | Confident | 119 Ų | 119 | 69.9 Ų | 69.9 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -40.3 | 176.6 | -61.5 | 171.9 | 0 | 0 | 0 | 110 | P251 D267 | P251-I269 VanDerWaalsContact O-CD1 3.26Å; P251-I269 WeakPolarHBondContact O-CD1 3.44Å; D267-I269 VanDerWaalsContact C-N 3.29Å; D267-I269 WeakPolarHBondContact OD1-CA 3.34Å; D267-I269 WeakPolarHBondContact OD1-CB 3.38Å; D267-I269 PolarHBondContact OD1-N 2.79Å |
| 270 | N | 78.3 | Confident | 77.5 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 1.4 | -178.9 | -64.6 | -78.3 | 0 | 0 | 0 | 114 | D267 R272 | D267-N270 PolarHBondContact OD1-N 2.96Å; D267-N270 PolarHBondContact OD2-ND2 3.39Å; N270-R272 HydrophobicContact CB-CG 4.44Å; N270-R272 WeakPolarHBondContact O-CG 3.34Å; N270-R272 PolarHBondContact O-N 3.09Å |
| 271 | E | 78.8 | Confident | 77.1 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 52 | -176 | -58.4 | -174.8 | 123.6 | 0 | 0 | 112.3 | D267 P294 I296 | D267-E271 VanDerWaalsContact O-CA 3.26Å; D267-E271 WeakPolarHBondContact O-CA 3.38Å; D267-E271 PolarHBondContact O-N 3.03Å; E271-P294 HydrophobicContact CB-CG 4.5Å; E271-P294 WeakPolarHBondContact O-CG 3.42Å; E271-I296 WeakPolarHBondContact OE1-CD1 3.35Å |
| 272 | R | 78.9 | Confident | 76.4 | Confident | 173 Ų | 173 | 62.6 Ų | 62.6 | 65% | 0.653 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.9 | -176.2 | -74.8 | 171.4 | -168.4 | -156.5 | 0.7 | 112 | M266 D267 N270 | M266-R272 CarbonylContact C-O 3.53Å; M266-R272 WeakPolarHBondContact CA-O 3.38Å; D267-R272 HydrophobicContact CB-CB 4.49Å; D267-R272 PolarHBondContact N-O 3.24Å; D267-R272 PolarHBondContact O-N 3.08Å; D267-R272 VanDerWaalsContact O-N 3.08Å; N270-R272 HydrophobicContact CB-CG 4.44Å; N270-R272 WeakPolarHBondContact O-CG 3.34Å; N270-R272 PolarHBondContact O-N 3.09Å |
| 273 | A | 82.7 | Confident | 75.7 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y264 Y265 M266 P291 P292 | Y264-A273 HydrophobicContact CD2-CB 4Å; Y264-A273 HydrophobicContact CE2-CB 4.28Å; Y265-A273 CarbonylContact O-C 3.5Å; Y265-A273 WeakPolarHBondContact O-CA 3.36Å; M266-A273 HydrophobicContact CG-CB 4.33Å; A273-P291 HydrophobicContact CB-CB 4.01Å; A273-P291 WeakPolarHBondContact O-CB 3.36Å; A273-P291 WeakPolarHBondContact O-CG 3.24Å; A273-P292 VanDerWaalsContact CB-O 3.22Å; A273-P292 WeakPolarHBondContact CB-O 3.4Å |
| 274 | Q | 81.3 | Confident | 74.6 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 143 | 172 | 55.9 | 175.9 | 54.9 | 0 | 0 | 110.8 | W253 Y265 R276 | W253-Q274 VanDerWaalsContact CH2-CD 3.46Å; W253-Q274 HydrophobicContact CH2-CG 4.02Å; W253-Q274 HydrophobicContact CZ3-CG 3.67Å; Y265-Q274 PolarHBondContact N-O 2.93Å; Y265-Q274 PolarHBondContact O-N 3.39Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact NE2-O 3.27Å; Q274-R276 PolarHBondContact O-N 2.84Å |
| 275 | Y | 80.5 | Confident | 73.6 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 9% | 0.09 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -72 | -22.4 | 177.8 | -65.4 | -71.8 | 0 | 0 | 0 | 114.4 | F261 Y265 Q288 P289 P290 P291 | F261-Y275 HydrophobicContact CB-CE1 4.18Å; F261-Y275 WeakPolarHBondContact CD1-OH 3.35Å; F261-Y275 VanDerWaalsContact O-CE1 3.23Å; F261-Y275 WeakPolarHBondContact O-CE1 3.34Å; Y265-Y275 WeakPolarHBondContact CD2-O 3.38Å; Y265-Y275 WeakPolarHBondContact CE2-O 3.13Å; Y275-Q288 HydrophobicContact CD2-CG 3.76Å; Y275-Q288 HydrophobicContact CE2-CG 4.28Å; Y275-Q288 HydrophobicContact CG-CG 4.01Å; Y275-P289 WeakPolarHBondContact CE2-O 3.43Å; Y275-P290 WeakPolarHBondContact CE2-O 3.36Å; Y275-P290 PolarHBondContact OH-O 3.21Å; Y275-P291 HydrophobicContact CD2-CB 4.23Å; Y275-P291 HydrophobicContact CE2-CB 3.88Å |
| 276 | R | 74.7 | Confident | 72.1 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 42% | 0.415 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -87.3 | 133.6 | -177.3 | -179 | 162.7 | 151 | -130 | -19.4 | 110.2 | Y265 Q274 A280 P281 S282 | Y265-R276 VanDerWaalsContact CD2-C 3.49Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact NE2-O 3.27Å; Q274-R276 PolarHBondContact O-N 2.84Å; R276-A280 HydrophobicContact CG-CB 3.91Å; R276-A280 PolarHBondContact NE-O 3.08Å; R276-A280 PolarHBondContact NH2-O 3.14Å; R276-P281 PolarHBondContact NE-O 3.47Å; R276-P281 PolarHBondContact NH2-O 2.79Å; R276-S282 VanDerWaalsContact NH2-CA 3.34Å |
| 277 | H | 76.8 | Confident | 71.2 | Confident | 12 Ų | 12 | 92.5 Ų | 92.5 | 6% | 0.056 | 46% | 0.463 | C | S | . | . | trans | -57.9 | 134.2 | 173.9 | -173.6 | -81 | 0 | 0 | 0 | 109.7 | L244 G248 L249 Y265 C279 A280 | L244-H277 HydrophobicContact CD2-CB 4.36Å; G248-H277 PolarHBondContact O-CE1 2.84Å; L249-H277 WeakPolarHBondContact CD2-NE2 3.48Å; Y265-H277 HydrophobicContact CD2-CB 4.42Å; Y265-H277 HydrophobicContact CE1-CB 4.23Å; Y265-H277 AromaticContact CE1-CD2 3.46Å; Y265-H277 VanDerWaalsContact CE1-CD2 3.46Å; Y265-H277 WeakPolarHBondContact CE1-CD2 3.43Å; Y265-H277 HydrophobicContact CE2-CB 3.86Å; Y265-H277 AromaticContact CZ-CD2 3.69Å; H277-C279 PolarHBondContact ND1-N 3.19Å; H277-C279 VanDerWaalsContact ND1-N 3.18Å; H277-C279 PolarHBondContact O-N 2.92Å; H277-C279 VanDerWaalsContact O-N 3.12Å; H277-A280 HydrophobicContact CB-CB 4.14Å; H277-A280 WeakPolarHBondContact O-CB 3.29Å; H277-A280 PolarHBondContact O-N 3.44Å | ||
| 278 | P | 73.4 | Confident | 70.2 | Confident | 35 Ų | 35 | 97.3 Ų | 97.3 | 23% | 0.227 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36 | -175 | 18.7 | -32.6 | 0 | 0 | 0 | 113.4 | L249 P250 W253 | L249-P278 HydrophobicContact CD2-CG 3.6Å; P250-P278 VanDerWaalsContact CD-CG 3.42Å; P250-P278 HydrophobicContact CG-CB 4.11Å; P250-P278 HydrophobicContact CG-CG 4.1Å; W253-P278 HydrophobicContact CD2-CB 3.89Å; W253-P278 HydrophobicContact CD2-CG 3.75Å; W253-P278 HydrophobicContact CE3-CB 3.83Å; W253-P278 HydrophobicContact CE3-CG 3.59Å; W253-P278 HydrophobicContact CG-CG 4.18Å; W253-P278 HydrophobicContact CH2-CB 4.02Å; W253-P278 HydrophobicContact CZ2-CB 4.07Å; W253-P278 HydrophobicContact CZ3-CB 3.89Å; W253-P278 HydrophobicContact CZ3-CG 4.08Å |
| 279 | C | 71.3 | Confident | 69.7 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.2 | 179.4 | -47.4 | 0 | 0 | 0 | 0 | 115 | G248 H277 | G248-C279 PolarHBondContact O-SG 3.14Å; G248-C279 VanDerWaalsContact O-SG 3.35Å; H277-C279 PolarHBondContact ND1-N 3.19Å; H277-C279 VanDerWaalsContact ND1-N 3.18Å; H277-C279 PolarHBondContact O-N 2.92Å; H277-C279 VanDerWaalsContact O-N 3.12Å |
| 280 | A | 67.6 | Low | 69.3 | Low | 23 Ų | 23 | 95.9 Ų | 95.9 | 19% | 0.19 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -76.7 | 147.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | R276 H277 | R276-A280 HydrophobicContact CG-CB 3.91Å; R276-A280 PolarHBondContact NE-O 3.08Å; R276-A280 PolarHBondContact NH2-O 3.14Å; H277-A280 HydrophobicContact CB-CB 4.14Å; H277-A280 WeakPolarHBondContact O-CB 3.29Å; H277-A280 PolarHBondContact O-N 3.44Å |
| 281 | P | 62.8 | Low | 68.9 | Low | 76 Ų | 76 | 94 Ų | 94 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | trans | -62.8 | 151.8 | 176.8 | 26.5 | -34.8 | 0 | 0 | 0 | 112.9 | R276 V283 | R276-P281 PolarHBondContact NE-O 3.47Å; R276-P281 PolarHBondContact NH2-O 2.79Å; P281-V283 PolarHBondContact O-N 2.95Å | ||
| 282 | S | 57.3 | Low | 68.5 | Low | 100 Ų | 100 | 89 Ų | 89 | 70% | 0.699 | 46% | 0.463 | S | S | * | . | trans | -79.8 | 74.4 | -173.8 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | R276 | R276-S282 VanDerWaalsContact NH2-CA 3.34Š| ||
| 283 | V | 61.9 | Low | 68.2 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 61% | 0.606 | 46% | 0.464 | S | S | * | . | trans | -96.6 | 117.7 | 167.2 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | P281 R285 | P281-V283 PolarHBondContact O-N 2.95Å; V283-R285 PolarHBondContact O-N 3.41Å | ||
| 284 | P | 56.5 | Low | 67.1 | Low | 89 Ų | 89 | 87.3 Ų | 87.3 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | trans | -67.1 | 116.7 | 171.5 | -19 | 32.7 | 0 | 0 | 0 | 110.3 | Y286 | P284-Y286 HydrophobicContact CB-CD2 4.37Å; P284-Y286 HydrophobicContact CB-CE2 3.67Å | ||
| 285 | R | 58 | Low | 66 | Low | 218 Ų | 218 | 87.7 Ų | 87.7 | 82% | 0.823 | 48% | 0.48 | S | S | * | . | trans | -107.7 | 126.5 | 160.6 | -80.2 | -152 | 176.6 | -169.8 | 2.9 | 108.3 | V283 | V283-R285 PolarHBondContact O-N 3.41Š| ||
| 286 | Y | 53.7 | Low | 64.9 | Low | 209 Ų | 209 | 91.1 Ų | 91.1 | 82% | 0.82 | 50% | 0.499 | S | S | * | . | trans | -97 | -3.9 | -171.4 | -72.1 | -79 | 0 | 0 | 0 | 114.6 | P284 | P284-Y286 HydrophobicContact CB-CD2 4.37Å; P284-Y286 HydrophobicContact CB-CE2 3.67Å | ||
| 287 | D | 61.1 | Low | 63.8 | Low | 169 Ų | 169 | 93.8 Ų | 93.8 | 90% | 0.904 | 52% | 0.516 | S | S | * | . | trans | -101.2 | 11.2 | -173.2 | -88.3 | -43.2 | 0 | 0 | 0 | 115.1 | ||||
| 288 | Q | 61.6 | Low | 62.8 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 132.1 | -177.1 | -149.7 | 157.6 | 17.3 | 0 | 0 | 111 | Y275 | Y275-Q288 HydrophobicContact CD2-CG 3.76Å; Y275-Q288 HydrophobicContact CE2-CG 4.28Å; Y275-Q288 HydrophobicContact CG-CG 4.01Å |
| 289 | P | 68.3 | Low | 62.1 | Low | 83 Ų | 83 | 103.8 Ų | 103.8 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 168.5 | 174.7 | 24.2 | -34.4 | 0 | 0 | 0 | 111.6 | Y275 | Y275-P289 WeakPolarHBondContact CE2-O 3.43Š|
| 290 | P | 70.1 | Confident | 61.4 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 69% | 0.688 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.1 | 172 | 26.7 | -34.4 | 0 | 0 | 0 | 111.3 | Y275 | Y275-P290 WeakPolarHBondContact CE2-O 3.36Å; Y275-P290 PolarHBondContact OH-O 3.21Å |
| 291 | P | 69.3 | Low | 61.6 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 36% | 0.357 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 148.6 | 174.9 | 28.2 | -33.2 | 0 | 0 | 0 | 110.5 | A273 Y275 | A273-P291 HydrophobicContact CB-CB 4.01Å; A273-P291 WeakPolarHBondContact O-CB 3.36Å; A273-P291 WeakPolarHBondContact O-CG 3.24Å; Y275-P291 HydrophobicContact CD2-CB 4.23Å; Y275-P291 HydrophobicContact CE2-CB 3.88Å |
| 292 | P | 71.7 | Confident | 62.2 | Low | 12 Ų | 12 | 117 Ų | 117 | 8% | 0.078 | 63% | 0.627 | C | S | . | * | P | Polyproline II helix | trans | -61.1 | 147 | 176 | 26.9 | -34.6 | 0 | 0 | 0 | 110.2 | F261 Y264 A273 | F261-P292 HydrophobicContact CB-CG 4.32Å; F261-P292 HydrophobicContact CD1-CB 4.48Å; F261-P292 HydrophobicContact CD2-CB 3.96Å; F261-P292 HydrophobicContact CD2-CG 4.1Å; F261-P292 HydrophobicContact CE2-CB 4.07Å; F261-P292 HydrophobicContact CG-CB 4.2Å; F261-P292 HydrophobicContact CG-CG 4.06Å; F261-P292 HydrophobicContact CZ-CB 4.38Å; Y264-P292 HydrophobicContact CD1-CG 4.27Å; Y264-P292 HydrophobicContact CD2-CG 4.07Å; Y264-P292 HydrophobicContact CE1-CG 4Å; Y264-P292 HydrophobicContact CE2-CG 3.75Å; Y264-P292 HydrophobicContact CG-CG 4.31Å; A273-P292 VanDerWaalsContact CB-O 3.22Å; A273-P292 WeakPolarHBondContact CB-O 3.4Å |
| 293 | P | 71.1 | Confident | 63.3 | Low | 102 Ų | 102 | 117.6 Ų | 117.6 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.7 | 172.6 | 26.8 | -34.3 | 0 | 0 | 0 | 110.3 | V295 | P293-V295 PolarHBondContact O-N 3.06Š|
| 294 | P | 60.9 | Low | 63.8 | Low | 50 Ų | 50 | 117 Ų | 117 | 33% | 0.325 | 63% | 0.634 | S | S | . | * | trans | -60.9 | 109.7 | 179.6 | 28.6 | -38 | 0 | 0 | 0 | 110.3 | M266 E271 I296 | M266-P294 HydrophobicContact CE-CB 4.28Å; E271-P294 HydrophobicContact CB-CG 4.5Å; E271-P294 WeakPolarHBondContact O-CG 3.42Å; P294-I296 VanDerWaalsContact C-N 3.34Å; P294-I296 PolarHBondContact O-N 3.44Å | ||
| 295 | V | 58.3 | Low | 64.8 | Low | 79 Ų | 79 | 115.8 Ų | 115.8 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | trans | -80.9 | 88.7 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | P293 H297 | P293-V295 PolarHBondContact O-N 3.06Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 2.92Å; V295-H297 PolarHBondContact O-ND1 3.28Å | ||
| 296 | I | 56 | Low | 65.8 | Low | 94 Ų | 94 | 109.9 Ų | 109.9 | 48% | 0.482 | 61% | 0.612 | S | S | . | * | trans | -67.8 | 96 | 173.4 | -51.3 | 163.4 | 0 | 0 | 0 | 107.5 | E271 P294 Q298 | E271-I296 WeakPolarHBondContact OE1-CD1 3.35Å; P294-I296 VanDerWaalsContact C-N 3.34Å; P294-I296 PolarHBondContact O-N 3.44Å; I296-Q298 HydrophobicContact CG2-CG 3.76Å; I296-Q298 PolarHBondContact O-N 3.49Å | ||
| 297 | H | 53.1 | Low | 66.8 | Low | 166 Ų | 166 | 102.7 Ų | 102.7 | 77% | 0.769 | 58% | 0.584 | S | S | * | * | trans | -71.3 | 71.5 | 167.3 | -66.9 | 98.4 | 0 | 0 | 0 | 109.2 | V295 | V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 2.92Å; V295-H297 PolarHBondContact O-ND1 3.28Å | ||
| 298 | Q | 55 | Low | 67.3 | Low | 149 Ų | 149 | 100.8 Ų | 100.8 | 70% | 0.696 | 57% | 0.57 | S | S | * | * | trans | -56.4 | 128.4 | 160.4 | -63.8 | -166.6 | 2 | 0 | 0 | 106.7 | I296 M300 | I296-Q298 HydrophobicContact CG2-CG 3.76Å; I296-Q298 PolarHBondContact O-N 3.49Å; Q298-M300 PolarHBondContact O-N 3.03Å | ||
| 299 | P | 57.7 | Low | 67.8 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | trans | -62.3 | 105.8 | 169.6 | 26.1 | -31.6 | 0 | 0 | 0 | 106.3 | L301 | P299-L301 VanDerWaalsContact C-N 3.26Å; P299-L301 HydrophobicContact CB-CD1 4.33Å; P299-L301 HydrophobicContact CG-CD1 4.31Å; P299-L301 WeakPolarHBondContact O-CD1 3.15Å; P299-L301 PolarHBondContact O-N 3.43Å | ||
| 300 | M | 56.9 | Low | 68.2 | Low | 179 Ų | 179 | 98.1 Ų | 98.1 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | trans | -62.4 | 94 | 174.1 | -87 | -171 | 153.4 | 0 | 0 | 107.7 | Q298 V302 | Q298-M300 PolarHBondContact O-N 3.03Å; M300-V302 VanDerWaalsContact C-N 3.26Å; M300-V302 PolarHBondContact O-N 3.36Å | ||
| 301 | L | 72.3 | Confident | 68.9 | Low | 150 Ų | 150 | 101.9 Ų | 101.9 | 79% | 0.785 | 58% | 0.582 | S | S | * | * | trans | -64.5 | 93.4 | 169.3 | -95.2 | 73.1 | 0 | 0 | 0 | 107.1 | P299 P303 | P299-L301 VanDerWaalsContact C-N 3.26Å; P299-L301 HydrophobicContact CB-CD1 4.33Å; P299-L301 HydrophobicContact CG-CD1 4.31Å; P299-L301 WeakPolarHBondContact O-CD1 3.15Å; P299-L301 PolarHBondContact O-N 3.43Å; L301-P303 VanDerWaalsContact O-CD 3.27Å; L301-P303 WeakPolarHBondContact O-CD 3.35Å | ||
| 302 | V | 75.9 | Confident | 69.9 | Low | 129 Ų | 129 | 100.3 Ų | 100.3 | 78% | 0.782 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119.4 | 167.2 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | M300 | M300-V302 VanDerWaalsContact C-N 3.26Å; M300-V302 PolarHBondContact O-N 3.36Å |
| 303 | P | 79.1 | Confident | 71 | Confident | 112 Ų | 112 | 101.7 Ų | 101.7 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 149.5 | 179.5 | -25.3 | 35.5 | 0 | 0 | 0 | 111.3 | L301 | L301-P303 VanDerWaalsContact O-CD 3.27Å; L301-P303 WeakPolarHBondContact O-CD 3.35Å |
| 304 | A | 73.6 | Confident | 72.1 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 72% | 0.719 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 146.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P306 | A304-P306 WeakPolarHBondContact O-CD 3.49Š|
| 305 | N | 76.5 | Confident | 73.7 | Confident | 65 Ų | 65 | 104.9 Ų | 104.9 | 35% | 0.348 | 58% | 0.581 | S | S | . | * | trans | -50.7 | 114.6 | -178.2 | 177.4 | 14.7 | 0 | 0 | 0 | 110.9 | Y307 H308 | N305-Y307 PolarHBondContact O-N 3.01Å; N305-Y307 VanDerWaalsContact O-N 3.08Å; N305-Y307 WeakPolarHBondContact OD1-CD2 3.43Å; N305-Y307 PolarHBondContact OD1-N 3.29Å; N305-H308 PolarHBondContact ND2-CD2 3.45Å; N305-H308 PolarHBondContact ND2-NE2 2.94Å; N305-H308 WeakPolarHBondContact O-CB 3.24Å; N305-H308 PolarHBondContact O-N 3.39Å | ||
| 306 | P | 78.8 | Confident | 75.5 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -61.5 | -26.7 | -170.9 | 23.6 | -34.6 | 0 | 0 | 0 | 112.5 | A304 H308 | A304-P306 WeakPolarHBondContact O-CD 3.49Å; P306-H308 PolarHBondContact O-N 2.61Å |
| 307 | Y | 76.3 | Confident | 77.4 | Confident | 58 Ų | 58 | 99 Ų | 99 | 23% | 0.227 | 55% | 0.546 | C | S | . | . | G | 310 helix | trans | -73.1 | -7.8 | -179.2 | -48.2 | -54 | 0 | 0 | 0 | 114.1 | N305 A309 T342 M346 L349 | N305-Y307 PolarHBondContact O-N 3.01Å; N305-Y307 VanDerWaalsContact O-N 3.08Å; N305-Y307 WeakPolarHBondContact OD1-CD2 3.43Å; N305-Y307 PolarHBondContact OD1-N 3.29Å; Y307-A309 VanDerWaalsContact C-N 3.29Å; Y307-A309 PolarHBondContact O-N 3.18Å; Y307-T342 HydrophobicContact CE1-CG2 3.99Å; Y307-M346 HydrophobicContact CD1-CG 4.48Å; Y307-L349 WeakPolarHBondContact O-CD2 3.42Å |
| 308 | H | 70.5 | Confident | 79.4 | Confident | 129 Ų | 129 | 95.9 Ų | 95.9 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -68.2 | -27.7 | 176.1 | -72.4 | -172.2 | 0 | 0 | 0 | 113.2 | N305 P306 | N305-H308 PolarHBondContact ND2-CD2 3.45Å; N305-H308 PolarHBondContact ND2-NE2 2.94Å; N305-H308 WeakPolarHBondContact O-CB 3.24Å; N305-H308 PolarHBondContact O-N 3.39Å; P306-H308 PolarHBondContact O-N 2.61Å |
| 309 | A | 71.8 | Confident | 81.4 | Confident | 98 Ų | 98 | 91.6 Ų | 91.6 | 81% | 0.81 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -9.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y307 | Y307-A309 VanDerWaalsContact C-N 3.29Å; Y307-A309 PolarHBondContact O-N 3.18Å |
| 310 | A | 76.8 | Confident | 83.2 | Confident | 40 Ų | 40 | 88.8 Ų | 88.8 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -80.1 | 134.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | I312 M346 | A310-I312 PolarHBondContact O-N 2.94Å; A310-M346 HydrophobicContact CB-CE 4.06Å |
| 311 | E | 85.4 | Confident | 85 | Confident | 185 Ų | 185 | 89 Ų | 89 | 86% | 0.864 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 124.8 | 172.9 | -64.5 | -175.3 | 172.1 | 0 | 0 | 109.9 | P313 | E311-P313 WeakPolarHBondContact O-CD 3.28Š|
| 312 | I | 91.2 | Very high | 86.2 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 11% | 0.113 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -85 | 118.3 | -177.7 | -56.6 | 176.5 | 0 | 0 | 0 | 108.5 | A310 D314 L316 Q317 M346 L349 L350 | A310-I312 PolarHBondContact O-N 2.94Å; I312-D314 PolarHBondContact O-N 2.98Å; I312-L316 HydrophobicContact CG2-CD2 4.24Å; I312-Q317 HydrophobicContact CG2-CG 4.19Å; I312-Q317 PolarHBondContact O-NE2 2.91Å; I312-M346 HydrophobicContact CG1-CB 4.5Å; I312-M346 HydrophobicContact CG1-CG 4.43Å; I312-M346 HydrophobicContact CG2-CB 4.26Å; I312-L349 HydrophobicContact CD1-CD2 4.11Å; I312-L349 HydrophobicContact CD1-CG 4.37Å; I312-L350 HydrophobicContact CD1-CD2 3.73Å; I312-L350 HydrophobicContact CD1-CG 3.99Å; I312-L350 HydrophobicContact CG2-CD1 4.08Å; I312-L350 HydrophobicContact CG2-CD2 4.33Å; I312-L350 HydrophobicContact CG2-CG 4.26Å |
| 313 | P | 94.3 | Very high | 87.1 | Confident | 40 Ų | 40 | 81.1 Ų | 81.1 | 26% | 0.26 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 135.8 | -176.5 | -26.8 | 34.8 | 0 | 0 | 0 | 113 | E311 W315 L316 Q317 | E311-P313 WeakPolarHBondContact O-CD 3.28Å; P313-W315 VanDerWaalsContact C-N 3.26Å; P313-W315 HydrophobicContact CB-CG 4.38Å; P313-W315 PolarHBondContact O-N 3.17Å; P313-L316 HydrophobicContact CB-CB 4.48Å; P313-L316 WeakPolarHBondContact O-CB 3.35Å; P313-L316 PolarHBondContact O-N 2.9Å; P313-Q317 PolarHBondContact O-N 3.02Å |
| 314 | D | 93.7 | Very high | 87.9 | Confident | 120 Ų | 120 | 83 Ų | 83 | 64% | 0.642 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.2 | -37.2 | -176 | -68.1 | -38.5 | 0 | 0 | 0 | 113 | I312 L316 Q317 V318 | I312-D314 PolarHBondContact O-N 2.98Å; D314-L316 PolarHBondContact O-N 3.44Å; D314-Q317 WeakPolarHBondContact O-CB 3.07Å; D314-Q317 PolarHBondContact O-N 3.16Å; D314-Q317 VanDerWaalsContact O-N 3.08Å; D314-Q317 PolarHBondContact OD1-NE2 3.38Å; D314-Q317 VanDerWaalsContact OD1-NE2 3.14Å; D314-V318 WeakPolarHBondContact O-CG2 3.47Å; D314-V318 PolarHBondContact O-N 2.91Å |
| 315 | W | 95.6 | Very high | 89 | Confident | 100 Ų | 100 | 85 Ų | 85 | 38% | 0.379 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.2 | -33.3 | 176.6 | 72.8 | -98.7 | 0 | 0 | 0 | 112.3 | P313 V318 Y319 L330 W332 Y343 | P313-W315 VanDerWaalsContact C-N 3.26Å; P313-W315 HydrophobicContact CB-CG 4.38Å; P313-W315 PolarHBondContact O-N 3.17Å; W315-V318 PolarHBondContact O-N 3.07Å; W315-Y319 WeakPolarHBondContact O-CB 3.46Å; W315-Y319 PolarHBondContact O-N 2.97Å; W315-L330 HydrophobicContact CZ3-CD2 4.08Å; W315-W332 HydrophobicContact CH2-CZ3 4.46Å; W315-Y343 HydrophobicContact CH2-CD2 4.29Å; W315-Y343 HydrophobicContact CH2-CE2 4.26Å; W315-Y343 HydrophobicContact CH2-CG 4.49Å; W315-Y343 HydrophobicContact CZ2-CD1 4.3Å; W315-Y343 HydrophobicContact CZ2-CD2 4.43Å; W315-Y343 AromaticContact CZ2-CE1 3.95Å; W315-Y343 HydrophobicContact CZ2-CE1 3.95Å; W315-Y343 HydrophobicContact CZ2-CE2 4.07Å; W315-Y343 AromaticContact CZ2-CZ 3.83Å |
| 316 | L | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -74.5 | -32.5 | 177.8 | -167.9 | 65.9 | 0 | 0 | 0 | 111 | I312 P313 D314 Y319 A320 W332 Y343 M346 L347 | I312-L316 HydrophobicContact CG2-CD2 4.24Å; P313-L316 HydrophobicContact CB-CB 4.48Å; P313-L316 WeakPolarHBondContact O-CB 3.35Å; P313-L316 PolarHBondContact O-N 2.9Å; D314-L316 PolarHBondContact O-N 3.44Å; L316-Y319 HydrophobicContact CD1-CD1 4.2Å; L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 3.44Å; L316-W332 HydrophobicContact CD1-CH2 4.41Å; L316-Y343 HydrophobicContact CD2-CD1 4.13Å; L316-M346 HydrophobicContact CD2-CB 3.72Å; L316-M346 HydrophobicContact CD2-SD 4.21Å; L316-L347 HydrophobicContact CD1-CD1 4.19Å; L316-L347 HydrophobicContact CD1-CD2 3.8Å; L316-L347 HydrophobicContact CD1-CG 3.94Å; L316-L347 HydrophobicContact CD2-CG 4.32Å; L316-L347 HydrophobicContact CG-CD2 3.91Å; L316-L347 HydrophobicContact CG-CG 4.2Å |
| 317 | Q | 94.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 86.3 Ų | 86.3 | 23% | 0.234 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 170.4 | -53.6 | 179.6 | 42.3 | 0 | 0 | 112.6 | I312 P313 D314 R321 L350 | I312-Q317 HydrophobicContact CG2-CG 4.19Å; I312-Q317 PolarHBondContact O-NE2 2.91Å; P313-Q317 PolarHBondContact O-N 3.02Å; D314-Q317 WeakPolarHBondContact O-CB 3.07Å; D314-Q317 PolarHBondContact O-N 3.16Å; D314-Q317 VanDerWaalsContact O-N 3.08Å; D314-Q317 PolarHBondContact OD1-NE2 3.38Å; D314-Q317 VanDerWaalsContact OD1-NE2 3.14Å; Q317-R321 WeakPolarHBondContact O-CG 3.45Å; Q317-R321 PolarHBondContact O-N 2.99Å; Q317-L350 HydrophobicContact CG-CD1 4.3Å; Q317-L350 HydrophobicContact CG-CD2 4.34Å |
| 318 | V | 96.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 90.6 Ų | 90.6 | 61% | 0.606 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68 | -45.8 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | D314 W315 R321 A322 | D314-V318 WeakPolarHBondContact O-CG2 3.47Å; D314-V318 PolarHBondContact O-N 2.91Å; W315-V318 PolarHBondContact O-N 3.07Å; V318-R321 CarbonylContact O-C 3.57Å; V318-R321 PolarHBondContact O-N 2.93Å; V318-A322 PolarHBondContact O-N 2.67Å; V318-A322 VanDerWaalsContact O-N 3.08Å |
| 319 | Y | 96.2 | Very high | 92.6 | Very high | 59 Ų | 59 | 90.1 Ų | 90.1 | 23% | 0.231 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 174.5 | 168 | -93.8 | 0 | 0 | 0 | 112.1 | W315 L316 R321 A322 D327 L330 W332 L347 | W315-Y319 WeakPolarHBondContact O-CB 3.46Å; W315-Y319 PolarHBondContact O-N 2.97Å; L316-Y319 HydrophobicContact CD1-CD1 4.2Å; Y319-R321 PolarHBondContact O-N 3.34Å; Y319-R321 VanDerWaalsContact O-N 3.14Å; Y319-A322 VanDerWaalsContact O-CB 3.24Å; Y319-A322 WeakPolarHBondContact O-CB 3.29Å; Y319-A322 PolarHBondContact O-N 3.36Å; Y319-D327 WeakPolarHBondContact CE2-OD1 3.46Å; Y319-D327 PolarHBondContact OH-OD1 2.86Å; Y319-L330 HydrophobicContact CD2-CD2 3.72Å; Y319-L330 HydrophobicContact CE2-CD2 3.88Å; Y319-L330 HydrophobicContact CG-CD2 4.28Å; Y319-W332 HydrophobicContact CE1-CH2 4.33Å; Y319-W332 AromaticContact CE1-CZ2 3.88Å; Y319-W332 HydrophobicContact CE1-CZ2 3.88Å; Y319-W332 HydrophobicContact CE2-CZ2 4.01Å; Y319-W332 AromaticContact CZ-CZ2 3.58Å; Y319-L347 HydrophobicContact CD1-CD2 3.95Å; Y319-L347 HydrophobicContact CE1-CD1 4.01Å; Y319-L347 HydrophobicContact CE1-CD2 4.08Å |
| 320 | A | 95.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 87.6 Ų | 87.6 | 41% | 0.405 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.8 | -25.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L316 L347 L350 | L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 3.44Å; A320-L347 HydrophobicContact CB-CD2 4.04Å; A320-L350 HydrophobicContact CB-CD1 3.87Å |
| 321 | R | 95.4 | Very high | 94.6 | Very high | 184 Ų | 184 | 92.1 Ų | 92.1 | 69% | 0.694 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -2.9 | 175.5 | -64.3 | 177.3 | -175.5 | 117.7 | -0.9 | 113.2 | Q317 V318 Y319 | Q317-R321 WeakPolarHBondContact O-CG 3.45Å; Q317-R321 PolarHBondContact O-N 2.99Å; V318-R321 CarbonylContact O-C 3.57Å; V318-R321 PolarHBondContact O-N 2.93Å; Y319-R321 PolarHBondContact O-N 3.34Å; Y319-R321 VanDerWaalsContact O-N 3.14Å |
| 322 | A | 96.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 86.4 Ų | 86.4 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -74.8 | 142.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V318 Y319 L324 | V318-A322 PolarHBondContact O-N 2.67Å; V318-A322 VanDerWaalsContact O-N 3.08Å; Y319-A322 VanDerWaalsContact O-CB 3.24Å; Y319-A322 WeakPolarHBondContact O-CB 3.29Å; Y319-A322 PolarHBondContact O-N 3.36Å; A322-L324 PolarHBondContact O-N 3.14Å |
| 323 | P | 96.4 | Very high | 95.3 | Very high | 71 Ų | 71 | 93.2 Ų | 93.2 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | trans | -60.6 | 135 | 170.9 | -25.6 | 35.2 | 0 | 0 | 0 | 112.3 | K325 Y326 | P323-K325 HydrophobicContact CB-CD 4.47Å; P323-K325 HydrophobicContact CB-CG 3.75Å; P323-K325 PolarHBondContact O-N 2.8Å; P323-Y326 HydrophobicContact CB-CD2 4.41Å; P323-Y326 HydrophobicContact CG-CD2 4.44Å; P323-Y326 HydrophobicContact CG-CE2 4.45Å; P323-Y326 PolarHBondContact O-N 3.29Å | ||
| 324 | L | 94.9 | Very high | 95.3 | Very high | 151 Ų | 151 | 98.1 Ų | 98.1 | 79% | 0.791 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -50.6 | -26.5 | -179.5 | -61.2 | 177.1 | 0 | 0 | 0 | 114.8 | A322 Y326 D327 | A322-L324 PolarHBondContact O-N 3.14Å; L324-Y326 PolarHBondContact O-N 3.21Å; L324-D327 VanDerWaalsContact O-CB 3.23Å; L324-D327 WeakPolarHBondContact O-CB 3.18Å; L324-D327 PolarHBondContact O-N 2.86Å; L324-D327 VanDerWaalsContact O-N 3.08Å |
| 325 | K | 96.2 | Very high | 95.4 | Very high | 129 Ų | 129 | 95.7 Ų | 95.7 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -57 | -19.1 | 173.3 | 55.1 | 161.3 | 171.8 | 168.3 | 0 | 114.3 | P323 H328 | P323-K325 HydrophobicContact CB-CD 4.47Å; P323-K325 HydrophobicContact CB-CG 3.75Å; P323-K325 PolarHBondContact O-N 2.8Å; K325-H328 PolarHBondContact O-CE1 3.28Å; K325-H328 PolarHBondContact O-ND1 3.12Å |
| 326 | Y | 95.5 | Very high | 95.4 | Very high | 116 Ų | 116 | 97.6 Ų | 97.6 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -106.2 | -2.1 | 179.4 | -58.3 | -41 | 0 | 0 | 0 | 113.5 | P323 L324 H328 I329 | P323-Y326 HydrophobicContact CB-CD2 4.41Å; P323-Y326 HydrophobicContact CG-CD2 4.44Å; P323-Y326 HydrophobicContact CG-CE2 4.45Å; P323-Y326 PolarHBondContact O-N 3.29Å; L324-Y326 PolarHBondContact O-N 3.21Å; Y326-H328 VanDerWaalsContact C-N 3.29Å; Y326-H328 PolarHBondContact O-N 3.47Å; Y326-I329 WeakPolarHBondContact O-CG1 3.48Å; Y326-I329 WeakPolarHBondContact O-CG2 3.27Å; Y326-I329 PolarHBondContact O-N 3.33Å; Y326-I329 VanDerWaalsContact O-N 3.08Å |
| 327 | D | 92.2 | Very high | 95.4 | Very high | 70 Ų | 70 | 103.9 Ų | 103.9 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -53.7 | -45.3 | -175.4 | -171.3 | 47.4 | 0 | 0 | 0 | 112.7 | Y319 L324 I329 L330 | Y319-D327 WeakPolarHBondContact CE2-OD1 3.46Å; Y319-D327 PolarHBondContact OH-OD1 2.86Å; L324-D327 VanDerWaalsContact O-CB 3.23Å; L324-D327 WeakPolarHBondContact O-CB 3.18Å; L324-D327 PolarHBondContact O-N 2.86Å; L324-D327 VanDerWaalsContact O-N 3.08Å; D327-I329 PolarHBondContact O-N 3.48Å; D327-L330 PolarHBondContact O-N 2.83Å |
| 328 | H | 94.2 | Very high | 95.2 | Very high | 149 Ų | 149 | 104.5 Ų | 104.5 | 69% | 0.69 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -64.6 | -7 | -179.7 | 71.7 | -90.9 | 0 | 0 | 0 | 116 | K325 Y326 L330 | K325-H328 PolarHBondContact O-CE1 3.28Å; K325-H328 PolarHBondContact O-ND1 3.12Å; Y326-H328 VanDerWaalsContact C-N 3.29Å; Y326-H328 PolarHBondContact O-N 3.47Å; H328-L330 VanDerWaalsContact C-N 3.33Å |
| 329 | I | 95.6 | Very high | 95 | Very high | 119 Ų | 119 | 102.6 Ų | 102.6 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -79.5 | -20.6 | 178.1 | 80.8 | -169.7 | 0 | 0 | 0 | 112 | Y326 D327 | Y326-I329 WeakPolarHBondContact O-CG1 3.48Å; Y326-I329 WeakPolarHBondContact O-CG2 3.27Å; Y326-I329 PolarHBondContact O-N 3.33Å; Y326-I329 VanDerWaalsContact O-N 3.08Å; D327-I329 PolarHBondContact O-N 3.48Å |
| 330 | L | 95.2 | Very high | 94.9 | Very high | 45 Ų | 45 | 101.9 Ų | 101.9 | 24% | 0.236 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -88.6 | 117.5 | 178.4 | -173.7 | 58.2 | 0 | 0 | 0 | 109.7 | W315 Y319 D327 H328 W332 F335 | W315-L330 HydrophobicContact CZ3-CD2 4.08Å; Y319-L330 HydrophobicContact CD2-CD2 3.72Å; Y319-L330 HydrophobicContact CE2-CD2 3.88Å; Y319-L330 HydrophobicContact CG-CD2 4.28Å; D327-L330 PolarHBondContact O-N 2.83Å; H328-L330 VanDerWaalsContact C-N 3.33Å; L330-W332 HydrophobicContact CD2-CD2 4.22Å; L330-W332 HydrophobicContact CD2-CE3 4.35Å; L330-W332 HydrophobicContact CD2-CH2 3.58Å; L330-W332 HydrophobicContact CD2-CZ2 3.36Å; L330-W332 HydrophobicContact CD2-CZ3 4.06Å; L330-W332 HydrophobicContact CG-CD2 4.27Å; L330-W332 HydrophobicContact CG-CZ2 4.23Å; L330-W332 PolarHBondContact O-N 3.23Å; L330-F335 HydrophobicContact CD1-CE2 4.32Å |
| 331 | K | 95.9 | Very high | 94.7 | Very high | 134 Ų | 134 | 103.7 Ų | 103.7 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | trans | -93 | 91.8 | -178.1 | -64 | -176.2 | -180 | -176.4 | 0 | 110.4 | E333 L334 | K331-E333 PolarHBondContact O-N 3Å; K331-L334 HydrophobicContact CB-CD1 3.82Å; K331-L334 HydrophobicContact CB-CG 3.95Å; K331-L334 HydrophobicContact CD-CD1 4.36Å; K331-L334 PolarHBondContact O-N 3.16Å | ||
| 332 | W | 95 | Very high | 94.6 | Very high | 66 Ų | 66 | 97 Ų | 97 | 25% | 0.25 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -63.6 | -24.8 | -177.9 | -65.2 | 108.4 | 0 | 0 | 0 | 113.3 | W315 L316 Y319 L330 L334 F335 L340 Y343 | W315-W332 HydrophobicContact CH2-CZ3 4.46Å; L316-W332 HydrophobicContact CD1-CH2 4.41Å; Y319-W332 HydrophobicContact CE1-CH2 4.33Å; Y319-W332 AromaticContact CE1-CZ2 3.88Å; Y319-W332 HydrophobicContact CE1-CZ2 3.88Å; Y319-W332 HydrophobicContact CE2-CZ2 4.01Å; Y319-W332 AromaticContact CZ-CZ2 3.58Å; L330-W332 HydrophobicContact CD2-CD2 4.22Å; L330-W332 HydrophobicContact CD2-CE3 4.35Å; L330-W332 HydrophobicContact CD2-CH2 3.58Å; L330-W332 HydrophobicContact CD2-CZ2 3.36Å; L330-W332 HydrophobicContact CD2-CZ3 4.06Å; L330-W332 HydrophobicContact CG-CD2 4.27Å; L330-W332 HydrophobicContact CG-CZ2 4.23Å; L330-W332 PolarHBondContact O-N 3.23Å; W332-L334 PolarHBondContact O-N 3.06Å; W332-L334 VanDerWaalsContact O-N 3.12Å; W332-F335 HydrophobicContact CE3-CD2 4.31Å; W332-F335 HydrophobicContact CE3-CE2 4.46Å; W332-F335 PolarHBondContact O-N 3.38Å; W332-F335 VanDerWaalsContact O-N 3.14Å; W332-L340 HydrophobicContact CB-CD2 4.19Å; W332-L340 HydrophobicContact CD2-CD2 4.27Å; W332-L340 HydrophobicContact CE3-CD2 3.45Å; W332-L340 VanDerWaalsContact CE3-CD2 3.45Å; W332-L340 HydrophobicContact CZ3-CD2 4.15Å; W332-Y343 HydrophobicContact CZ3-CD2 4.35Å |
| 333 | E | 95.3 | Very high | 94.5 | Very high | 165 Ų | 165 | 97.1 Ų | 97.1 | 77% | 0.771 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -67.8 | -8.7 | 178.7 | -48.3 | 88.5 | 160 | 0 | 0 | 113.7 | K331 | K331-E333 PolarHBondContact O-N 3Š|
| 334 | L | 95.4 | Very high | 94.4 | Very high | 143 Ų | 143 | 100 Ų | 100 | 75% | 0.749 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -85.7 | -10 | 175 | -58.8 | 179.8 | 0 | 0 | 0 | 113.4 | K331 W332 | K331-L334 HydrophobicContact CB-CD1 3.82Å; K331-L334 HydrophobicContact CB-CG 3.95Å; K331-L334 HydrophobicContact CD-CD1 4.36Å; K331-L334 PolarHBondContact O-N 3.16Å; W332-L334 PolarHBondContact O-N 3.06Å; W332-L334 VanDerWaalsContact O-N 3.12Å |
| 335 | F | 95.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 93.5 Ų | 93.5 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -99.3 | 157.7 | -179 | -64.3 | -90.3 | 0 | 0 | 0 | 111.8 | L330 W332 L340 Y343 | L330-F335 HydrophobicContact CD1-CE2 4.32Å; W332-F335 HydrophobicContact CE3-CD2 4.31Å; W332-F335 HydrophobicContact CE3-CE2 4.46Å; W332-F335 PolarHBondContact O-N 3.38Å; W332-F335 VanDerWaalsContact O-N 3.14Å; F335-L340 HydrophobicContact CB-CD2 3.85Å; F335-L340 HydrophobicContact CB-CG 4.02Å; F335-L340 HydrophobicContact CG-CD2 4.42Å; F335-Y343 AromaticContact CD1-CE2 3.76Å; F335-Y343 HydrophobicContact CD1-CE2 3.76Å; F335-Y343 AromaticContact CE1-CE2 3.97Å; F335-Y343 HydrophobicContact CE1-CE2 3.97Å; F335-Y343 HydrophobicContact CG-CE2 4.47Å |
| 336 | Q | 96.3 | Very high | 94.2 | Very high | 141 Ų | 141 | 88.1 Ų | 88.1 | 66% | 0.659 | 44% | 0.437 | S | S | * | . | trans | -76.2 | 151 | 173.4 | -51.5 | -171.5 | 17.9 | 0 | 0 | 110.4 | A338 D339 L340 | Q336-A338 VanDerWaalsContact C-N 3.27Å; Q336-A338 PolarHBondContact O-N 3.47Å; Q336-D339 WeakPolarHBondContact CB-OD2 3.4Å; Q336-D339 WeakPolarHBondContact O-CB 3.34Å; Q336-D339 PolarHBondContact O-N 2.9Å; Q336-L340 PolarHBondContact O-N 2.97Å | ||
| 337 | L | 95.1 | Very high | 94.1 | Very high | 131 Ų | 131 | 84.7 Ų | 84.7 | 69% | 0.686 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.9 | -39.8 | -178.3 | -173 | 62.6 | 0 | 0 | 0 | 112.8 | D339 L340 D341 | L337-D339 VanDerWaalsContact C-N 3.34Å; L337-D339 PolarHBondContact O-N 3.41Å; L337-L340 WeakPolarHBondContact O-CB 3.12Å; L337-L340 PolarHBondContact O-N 3.49Å; L337-D341 PolarHBondContact O-N 2.96Å |
| 338 | A | 91.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 88.2 Ų | 88.2 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q336 T342 | Q336-A338 VanDerWaalsContact C-N 3.27Å; Q336-A338 PolarHBondContact O-N 3.47Å; A338-T342 PolarHBondContact O-N 3.24Å; A338-T342 PolarHBondContact O-OG1 2.9Å |
| 339 | D | 92.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 81.9 Ų | 81.9 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 174.3 | -59.4 | -39.7 | 0 | 0 | 0 | 110.3 | Q336 L337 T342 Y343 | Q336-D339 WeakPolarHBondContact CB-OD2 3.4Å; Q336-D339 WeakPolarHBondContact O-CB 3.34Å; Q336-D339 PolarHBondContact O-N 2.9Å; L337-D339 VanDerWaalsContact C-N 3.34Å; L337-D339 PolarHBondContact O-N 3.41Å; D339-T342 WeakPolarHBondContact O-CB 3.39Å; D339-T342 PolarHBondContact O-N 3.36Å; D339-Y343 HydrophobicContact CB-CD2 4.45Å; D339-Y343 HydrophobicContact CB-CE2 3.9Å; D339-Y343 WeakPolarHBondContact O-CD2 3.39Å; D339-Y343 VanDerWaalsContact O-CG 3.26Å; D339-Y343 PolarHBondContact O-N 3.47Å |
| 340 | L | 94 | Very high | 94.2 | Very high | 44 Ų | 44 | 77.7 Ų | 77.7 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.2 | -66.6 | 174.5 | 0 | 0 | 0 | 112.1 | W332 F335 Q336 L337 T342 Y343 Q344 | W332-L340 HydrophobicContact CB-CD2 4.19Å; W332-L340 HydrophobicContact CD2-CD2 4.27Å; W332-L340 HydrophobicContact CE3-CD2 3.45Å; W332-L340 VanDerWaalsContact CE3-CD2 3.45Å; W332-L340 HydrophobicContact CZ3-CD2 4.15Å; F335-L340 HydrophobicContact CB-CD2 3.85Å; F335-L340 HydrophobicContact CB-CG 4.02Å; F335-L340 HydrophobicContact CG-CD2 4.42Å; Q336-L340 PolarHBondContact O-N 2.97Å; L337-L340 WeakPolarHBondContact O-CB 3.12Å; L337-L340 PolarHBondContact O-N 3.49Å; L340-T342 VanDerWaalsContact C-N 3.27Å; L340-T342 PolarHBondContact O-N 3.06Å; L340-Y343 PolarHBondContact O-N 3.16Å; L340-Q344 VanDerWaalsContact O-CB 3.29Å; L340-Q344 WeakPolarHBondContact O-CB 3.38Å; L340-Q344 PolarHBondContact O-N 2.95Å |
| 341 | D | 91.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 81.1 Ų | 81.1 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 174.2 | -77.5 | -41.4 | 0 | 0 | 0 | 111.9 | L337 G345 | L337-D341 PolarHBondContact O-N 2.96Å; D341-G345 PolarHBondContact O-N 3.24Å |
| 342 | T | 91.7 | Very high | 94.2 | Very high | 44 Ų | 44 | 78.9 Ų | 78.9 | 27% | 0.27 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -50.7 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | Y307 A338 D339 L340 Q344 G345 M346 | Y307-T342 HydrophobicContact CE1-CG2 3.99Å; A338-T342 PolarHBondContact O-N 3.24Å; A338-T342 PolarHBondContact O-OG1 2.9Å; D339-T342 WeakPolarHBondContact O-CB 3.39Å; D339-T342 PolarHBondContact O-N 3.36Å; L340-T342 VanDerWaalsContact C-N 3.27Å; L340-T342 PolarHBondContact O-N 3.06Å; T342-Q344 PolarHBondContact O-N 3.24Å; T342-G345 PolarHBondContact O-N 3.05Å; T342-M346 HydrophobicContact CG2-CE 3.79Å; T342-M346 HydrophobicContact CG2-SD 4.36Å; T342-M346 WeakPolarHBondContact O-CG 3.45Å; T342-M346 PolarHBondContact O-N 3.45Å |
| 343 | Y | 94.1 | Very high | 94.1 | Very high | 43 Ų | 43 | 80.7 Ų | 80.7 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 178.9 | -60.2 | -38.1 | 0 | 0 | 0 | 112.4 | W315 L316 W332 F335 D339 L340 G345 M346 L347 | W315-Y343 HydrophobicContact CH2-CD2 4.29Å; W315-Y343 HydrophobicContact CH2-CE2 4.26Å; W315-Y343 HydrophobicContact CH2-CG 4.49Å; W315-Y343 HydrophobicContact CZ2-CD1 4.3Å; W315-Y343 HydrophobicContact CZ2-CD2 4.43Å; W315-Y343 AromaticContact CZ2-CE1 3.95Å; W315-Y343 HydrophobicContact CZ2-CE1 3.95Å; W315-Y343 HydrophobicContact CZ2-CE2 4.07Å; W315-Y343 AromaticContact CZ2-CZ 3.83Å; L316-Y343 HydrophobicContact CD2-CD1 4.13Å; W332-Y343 HydrophobicContact CZ3-CD2 4.35Å; F335-Y343 AromaticContact CD1-CE2 3.76Å; F335-Y343 HydrophobicContact CD1-CE2 3.76Å; F335-Y343 AromaticContact CE1-CE2 3.97Å; F335-Y343 HydrophobicContact CE1-CE2 3.97Å; F335-Y343 HydrophobicContact CG-CE2 4.47Å; D339-Y343 HydrophobicContact CB-CD2 4.45Å; D339-Y343 HydrophobicContact CB-CE2 3.9Å; D339-Y343 WeakPolarHBondContact O-CD2 3.39Å; D339-Y343 VanDerWaalsContact O-CG 3.26Å; D339-Y343 PolarHBondContact O-N 3.47Å; L340-Y343 PolarHBondContact O-N 3.16Å; Y343-G345 VanDerWaalsContact C-N 3.33Å; Y343-G345 PolarHBondContact O-N 3.03Å; Y343-M346 HydrophobicContact CD1-SD 4.29Å; Y343-M346 PolarHBondContact O-N 2.91Å; Y343-L347 WeakPolarHBondContact O-CB 3.45Å; Y343-L347 WeakPolarHBondContact O-CG 3.43Å; Y343-L347 PolarHBondContact O-N 2.92Å |
| 344 | Q | 94.6 | Very high | 94.1 | Very high | 132 Ų | 132 | 78.7 Ų | 78.7 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 173.6 | -177.3 | 176 | -109.8 | 0 | 0 | 111.5 | L340 T342 L347 K348 | L340-Q344 VanDerWaalsContact O-CB 3.29Å; L340-Q344 WeakPolarHBondContact O-CB 3.38Å; L340-Q344 PolarHBondContact O-N 2.95Å; T342-Q344 PolarHBondContact O-N 3.24Å; Q344-L347 PolarHBondContact O-N 3.45Å; Q344-K348 PolarHBondContact O-N 3.03Å |
| 345 | G | 92.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 75.5 Ų | 75.5 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | D341 T342 Y343 K348 L349 | D341-G345 PolarHBondContact O-N 3.24Å; T342-G345 PolarHBondContact O-N 3.05Å; Y343-G345 VanDerWaalsContact C-N 3.33Å; Y343-G345 PolarHBondContact O-N 3.03Å; G345-K348 PolarHBondContact O-N 3.24Å; G345-L349 PolarHBondContact O-N 2.88Å |
| 346 | M | 94.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 76.9 Ų | 76.9 | 7% | 0.074 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176 | -68.9 | 176.1 | 176.2 | 0 | 0 | 113 | Y307 A310 I312 L316 T342 Y343 L349 L350 | Y307-M346 HydrophobicContact CD1-CG 4.48Å; A310-M346 HydrophobicContact CB-CE 4.06Å; I312-M346 HydrophobicContact CG1-CB 4.5Å; I312-M346 HydrophobicContact CG1-CG 4.43Å; I312-M346 HydrophobicContact CG2-CB 4.26Å; L316-M346 HydrophobicContact CD2-CB 3.72Å; L316-M346 HydrophobicContact CD2-SD 4.21Å; T342-M346 HydrophobicContact CG2-CE 3.79Å; T342-M346 HydrophobicContact CG2-SD 4.36Å; T342-M346 WeakPolarHBondContact O-CG 3.45Å; T342-M346 PolarHBondContact O-N 3.45Å; Y343-M346 HydrophobicContact CD1-SD 4.29Å; Y343-M346 PolarHBondContact O-N 2.91Å; M346-L349 WeakPolarHBondContact O-CB 3.26Å; M346-L349 PolarHBondContact O-N 3.22Å; M346-L349 VanDerWaalsContact O-N 3.16Å; M346-L350 PolarHBondContact O-N 3.03Å |
| 347 | L | 95.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 75 Ų | 75 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.2 | -74.6 | 170.8 | 0 | 0 | 0 | 111.5 | L316 Y319 A320 Y343 Q344 L349 L350 F351 | L316-L347 HydrophobicContact CD1-CD1 4.19Å; L316-L347 HydrophobicContact CD1-CD2 3.8Å; L316-L347 HydrophobicContact CD1-CG 3.94Å; L316-L347 HydrophobicContact CD2-CG 4.32Å; L316-L347 HydrophobicContact CG-CD2 3.91Å; L316-L347 HydrophobicContact CG-CG 4.2Å; Y319-L347 HydrophobicContact CD1-CD2 3.95Å; Y319-L347 HydrophobicContact CE1-CD1 4.01Å; Y319-L347 HydrophobicContact CE1-CD2 4.08Å; A320-L347 HydrophobicContact CB-CD2 4.04Å; Y343-L347 WeakPolarHBondContact O-CB 3.45Å; Y343-L347 WeakPolarHBondContact O-CG 3.43Å; Y343-L347 PolarHBondContact O-N 2.92Å; Q344-L347 PolarHBondContact O-N 3.45Å; L347-L349 VanDerWaalsContact C-N 3.26Å; L347-L349 PolarHBondContact O-N 3.39Å; L347-L350 PolarHBondContact O-N 3.04Å; L347-F351 PolarHBondContact O-N 3.08Å |
| 348 | K | 94.4 | Very high | 94.4 | Very high | 145 Ų | 145 | 72.7 Ų | 72.7 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 172.7 | -174.4 | 177.8 | 179.4 | -179.9 | 0 | 111.6 | Q344 G345 F351 M352 | Q344-K348 PolarHBondContact O-N 3.03Å; G345-K348 PolarHBondContact O-N 3.24Å; K348-F351 PolarHBondContact O-N 3.43Å; K348-M352 VanDerWaalsContact O-CG 3.24Å; K348-M352 WeakPolarHBondContact O-CG 3.35Å; K348-M352 PolarHBondContact O-N 2.77Å |
| 349 | L | 93.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 73.5 Ų | 73.5 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 176.2 | -178 | 59.2 | 0 | 0 | 0 | 112.7 | Y307 I312 G345 M346 L347 M352 K353 | Y307-L349 WeakPolarHBondContact O-CD2 3.42Å; I312-L349 HydrophobicContact CD1-CD2 4.11Å; I312-L349 HydrophobicContact CD1-CG 4.37Å; G345-L349 PolarHBondContact O-N 2.88Å; M346-L349 WeakPolarHBondContact O-CB 3.26Å; M346-L349 PolarHBondContact O-N 3.22Å; M346-L349 VanDerWaalsContact O-N 3.16Å; L347-L349 VanDerWaalsContact C-N 3.26Å; L347-L349 PolarHBondContact O-N 3.39Å; L349-M352 PolarHBondContact O-N 2.86Å; L349-K353 WeakPolarHBondContact O-CG 3.29Å; L349-K353 PolarHBondContact O-N 2.81Å |
| 350 | L | 94.4 | Very high | 95 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 172.4 | -72.3 | 177.7 | 0 | 0 | 0 | 111.3 | I312 Q317 A320 M346 L347 M352 K353 E354 | I312-L350 HydrophobicContact CD1-CD2 3.73Å; I312-L350 HydrophobicContact CD1-CG 3.99Å; I312-L350 HydrophobicContact CG2-CD1 4.08Å; I312-L350 HydrophobicContact CG2-CD2 4.33Å; I312-L350 HydrophobicContact CG2-CG 4.26Å; Q317-L350 HydrophobicContact CG-CD1 4.3Å; Q317-L350 HydrophobicContact CG-CD2 4.34Å; A320-L350 HydrophobicContact CB-CD1 3.87Å; M346-L350 PolarHBondContact O-N 3.03Å; L347-L350 PolarHBondContact O-N 3.04Å; L350-M352 PolarHBondContact O-N 3.22Å; L350-K353 PolarHBondContact O-N 3.01Å; L350-E354 PolarHBondContact O-N 3.42Å |
| 351 | F | 95.7 | Very high | 95.2 | Very high | 117 Ų | 117 | 77.9 Ų | 77.9 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 176.3 | 171.6 | -112.6 | 0 | 0 | 0 | 112.4 | L347 K348 K353 E354 L355 | L347-F351 PolarHBondContact O-N 3.08Å; K348-F351 PolarHBondContact O-N 3.43Å; F351-K353 PolarHBondContact O-N 3.05Å; F351-E354 PolarHBondContact O-N 2.85Å; F351-L355 HydrophobicContact CE1-CD1 4.16Å; F351-L355 HydrophobicContact CE2-CD1 4.37Å; F351-L355 HydrophobicContact CZ-CD1 3.76Å; F351-L355 VanDerWaalsContact O-CB 3.28Å; F351-L355 WeakPolarHBondContact O-CB 3.26Å; F351-L355 PolarHBondContact O-N 3.29Å |
| 352 | M | 95.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 80.7 Ų | 80.7 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.5 | -70.4 | -71.8 | 99.8 | 0 | 0 | 112.4 | K348 L349 L350 L355 E356 | K348-M352 VanDerWaalsContact O-CG 3.24Å; K348-M352 WeakPolarHBondContact O-CG 3.35Å; K348-M352 PolarHBondContact O-N 2.77Å; L349-M352 PolarHBondContact O-N 2.86Å; L350-M352 PolarHBondContact O-N 3.22Å; M352-L355 HydrophobicContact CE-CD1 4.34Å; M352-E356 WeakPolarHBondContact O-CB 3.17Å; M352-E356 PolarHBondContact O-N 2.93Å |
| 353 | K | 93.2 | Very high | 95.8 | Very high | 105 Ų | 105 | 82.9 Ų | 82.9 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.2 | -74 | 174.9 | 176.8 | 178.6 | 0 | 112.4 | L349 L350 F351 Q357 | L349-K353 WeakPolarHBondContact O-CG 3.29Å; L349-K353 PolarHBondContact O-N 2.81Å; L350-K353 PolarHBondContact O-N 3.01Å; F351-K353 PolarHBondContact O-N 3.05Å; K353-Q357 PolarHBondContact O-N 2.97Å |
| 354 | E | 95.3 | Very high | 96 | Very high | 123 Ų | 123 | 83.3 Ų | 83.3 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 176.8 | -176 | 168 | -162.5 | 0 | 0 | 111.6 | L350 F351 E356 Q357 I358 | L350-E354 PolarHBondContact O-N 3.42Å; F351-E354 PolarHBondContact O-N 2.85Å; E354-E356 PolarHBondContact O-N 3.28Å; E354-Q357 PolarHBondContact O-N 3.45Å; E354-I358 HydrophobicContact CG-CD1 4.11Å; E354-I358 WeakPolarHBondContact O-CG1 3.35Å; E354-I358 PolarHBondContact O-N 3.05Å |
| 355 | L | 97.2 | Very high | 96.2 | Very high | 75 Ų | 75 | 79.2 Ų | 79.2 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.1 | -172.7 | 153 | 0 | 0 | 0 | 111.6 | F351 M352 Q357 I358 V359 | F351-L355 HydrophobicContact CE1-CD1 4.16Å; F351-L355 HydrophobicContact CE2-CD1 4.37Å; F351-L355 HydrophobicContact CZ-CD1 3.76Å; F351-L355 VanDerWaalsContact O-CB 3.28Å; F351-L355 WeakPolarHBondContact O-CB 3.26Å; F351-L355 PolarHBondContact O-N 3.29Å; M352-L355 HydrophobicContact CE-CD1 4.34Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.08Å; L355-I358 PolarHBondContact O-N 2.94Å; L355-V359 HydrophobicContact CD2-CG2 4.04Å; L355-V359 WeakPolarHBondContact O-CG2 3.26Å; L355-V359 PolarHBondContact O-N 3.38Å |
| 356 | E | 96.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 84.4 Ų | 84.4 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 174.5 | -173.8 | -170.7 | 175.9 | 0 | 0 | 111.5 | M352 E354 V359 K360 | M352-E356 WeakPolarHBondContact O-CB 3.17Å; M352-E356 PolarHBondContact O-N 2.93Å; E354-E356 PolarHBondContact O-N 3.28Å; E356-V359 PolarHBondContact O-N 3.39Å; E356-K360 HydrophobicContact CG-CD 4.33Å; E356-K360 WeakPolarHBondContact O-CG 3.22Å; E356-K360 PolarHBondContact O-N 3Å; E356-K360 WeakPolarHBondContact OE1-CE 3.25Å; E356-K360 IonicContact OE1-NZ 2.79Å; E356-K360 PolarHBondContact OE1-NZ 2.83Å |
| 357 | Q | 96.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 88.3 Ų | 88.3 | 48% | 0.477 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.9 | -177 | 60.4 | 18.4 | 0 | 0 | 112.1 | K353 E354 L355 K360 L361 | K353-Q357 PolarHBondContact O-N 2.97Å; E354-Q357 PolarHBondContact O-N 3.45Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.08Å; Q357-K360 PolarHBondContact O-N 2.73Å; Q357-L361 HydrophobicContact CG-CD1 4.32Å; Q357-L361 VanDerWaalsContact O-CG 3.3Å; Q357-L361 WeakPolarHBondContact O-CG 3.37Å; Q357-L361 PolarHBondContact O-N 2.77Å |
| 358 | I | 97.9 | Very high | 96.8 | Very high | 83 Ų | 83 | 89.8 Ų | 89.8 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 174.4 | -68.9 | 165.4 | 0 | 0 | 0 | 110 | E354 L355 K360 L361 Y362 | E354-I358 HydrophobicContact CG-CD1 4.11Å; E354-I358 WeakPolarHBondContact O-CG1 3.35Å; E354-I358 PolarHBondContact O-N 3.05Å; L355-I358 PolarHBondContact O-N 2.94Å; I358-K360 VanDerWaalsContact C-N 3.34Å; I358-K360 PolarHBondContact O-N 2.84Å; I358-L361 PolarHBondContact O-N 2.85Å; I358-Y362 HydrophobicContact CG2-CD2 3.91Å; I358-Y362 HydrophobicContact CG2-CE2 4.06Å; I358-Y362 WeakPolarHBondContact O-CD2 3.39Å; I358-Y362 PolarHBondContact O-N 3.12Å |
| 359 | V | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 86 Ų | 86 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L355 E356 L361 Y362 E363 | L355-V359 HydrophobicContact CD2-CG2 4.04Å; L355-V359 WeakPolarHBondContact O-CG2 3.26Å; L355-V359 PolarHBondContact O-N 3.38Å; E356-V359 PolarHBondContact O-N 3.39Å; V359-L361 PolarHBondContact O-N 3.02Å; V359-Y362 PolarHBondContact O-N 3.39Å; V359-E363 PolarHBondContact O-N 3.34Å |
| 360 | K | 97.4 | Very high | 97.1 | Very high | 110 Ų | 110 | 89.1 Ų | 89.1 | 48% | 0.478 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.7 | -75.6 | 173.9 | -177.4 | 169.3 | 0 | 112.8 | E356 Q357 I358 A364 | E356-K360 HydrophobicContact CG-CD 4.33Å; E356-K360 WeakPolarHBondContact O-CG 3.22Å; E356-K360 PolarHBondContact O-N 3Å; E356-K360 WeakPolarHBondContact OE1-CE 3.25Å; E356-K360 IonicContact OE1-NZ 2.79Å; E356-K360 PolarHBondContact OE1-NZ 2.83Å; Q357-K360 PolarHBondContact O-N 2.73Å; I358-K360 VanDerWaalsContact C-N 3.34Å; I358-K360 PolarHBondContact O-N 2.84Å; K360-A364 WeakPolarHBondContact O-CB 3.42Å; K360-A364 PolarHBondContact O-N 2.87Å |
| 361 | L | 98.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 45% | 0.445 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 177.6 | -72.1 | 169.2 | 0 | 0 | 0 | 111.9 | Q357 I358 V359 Y365 | Q357-L361 HydrophobicContact CG-CD1 4.32Å; Q357-L361 VanDerWaalsContact O-CG 3.3Å; Q357-L361 WeakPolarHBondContact O-CG 3.37Å; Q357-L361 PolarHBondContact O-N 2.77Å; I358-L361 PolarHBondContact O-N 2.85Å; V359-L361 PolarHBondContact O-N 3.02Å; L361-Y365 WeakPolarHBondContact O-CB 3.23Å; L361-Y365 PolarHBondContact O-N 3.32Å |
| 362 | Y | 98.2 | Very high | 97.4 | Very high | 147 Ų | 147 | 88.5 Ų | 88.5 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 178.3 | -87.2 | -92.9 | 0 | 0 | 0 | 113.1 | I358 V359 R366 | I358-Y362 HydrophobicContact CG2-CD2 3.91Å; I358-Y362 HydrophobicContact CG2-CE2 4.06Å; I358-Y362 WeakPolarHBondContact O-CD2 3.39Å; I358-Y362 PolarHBondContact O-N 3.12Å; V359-Y362 PolarHBondContact O-N 3.39Å; Y362-R366 VanDerWaalsContact O-CB 3.29Å; Y362-R366 WeakPolarHBondContact O-CB 3.35Å; Y362-R366 PolarHBondContact O-N 2.66Å |
| 363 | E | 98.4 | Very high | 97.6 | Very high | 89 Ų | 89 | 89.5 Ų | 89.5 | 42% | 0.416 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 171.9 | -81.8 | -60.3 | 153 | 0 | 0 | 111.7 | V359 Y365 R366 Q367 | V359-E363 PolarHBondContact O-N 3.34Å; E363-Y365 PolarHBondContact O-N 2.79Å; E363-R366 WeakPolarHBondContact O-CB 3.08Å; E363-R366 PolarHBondContact O-N 3.4Å; E363-R366 IonicContact OE1-NH1 2.73Å; E363-R366 IonicContact OE2-CZ 3.39Å; E363-R366 IonicContact OE2-NH1 3.89Å; E363-R366 PolarHBondContact OE2-NH1 2.88Å; E363-Q367 WeakPolarHBondContact O-CG 3.46Å; E363-Q367 PolarHBondContact O-N 2.89Å |
| 364 | A | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 87.9 Ų | 87.9 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K360 R366 Q367 E368 | K360-A364 WeakPolarHBondContact O-CB 3.42Å; K360-A364 PolarHBondContact O-N 2.87Å; A364-R366 VanDerWaalsContact C-N 3.31Å; A364-R366 PolarHBondContact O-N 3.37Å; A364-Q367 PolarHBondContact O-N 2.77Å; A364-Q367 VanDerWaalsContact O-N 3.16Å; A364-E368 PolarHBondContact O-N 2.81Å |
| 365 | Y | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 83.6 Ų | 83.6 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 176 | -179.9 | -108.7 | 0 | 0 | 0 | 112.7 | L30 L33 M34 L361 E363 E368 L369 | L30-Y365 HydrophobicContact CD2-CD2 4.32Å; L30-Y365 HydrophobicContact CD2-CE2 3.92Å; L33-Y365 HydrophobicContact CB-CD2 4.16Å; M34-Y365 HydrophobicContact CE-CE1 4.39Å; M34-Y365 VanDerWaalsContact CE-OH 3.23Å; M34-Y365 WeakPolarHBondContact CE-OH 3.43Å; M34-Y365 HydrophobicContact CG-CE2 3.81Å; M34-Y365 HydrophobicContact SD-CE2 4.43Å; M34-Y365 PolarHBondContact SD-OH 2.92Å; L361-Y365 WeakPolarHBondContact O-CB 3.23Å; L361-Y365 PolarHBondContact O-N 3.32Å; E363-Y365 PolarHBondContact O-N 2.79Å; Y365-E368 PolarHBondContact O-N 2.82Å; Y365-L369 HydrophobicContact CD1-CD1 4.08Å; Y365-L369 HydrophobicContact CE1-CD1 3.5Å; Y365-L369 HydrophobicContact CE1-CG 4.15Å; Y365-L369 HydrophobicContact CE2-CG 4.42Å; Y365-L369 WeakPolarHBondContact O-CG 3.17Å; Y365-L369 PolarHBondContact O-N 3.42Å |
| 366 | R | 98.2 | Very high | 97.8 | Very high | 124 Ų | 124 | 86.3 Ų | 86.3 | 47% | 0.468 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 173.7 | 175.4 | 176.4 | 170.4 | -93 | -8.5 | 112 | Y362 E363 A364 L369 L370 | Y362-R366 VanDerWaalsContact O-CB 3.29Å; Y362-R366 WeakPolarHBondContact O-CB 3.35Å; Y362-R366 PolarHBondContact O-N 2.66Å; E363-R366 WeakPolarHBondContact O-CB 3.08Å; E363-R366 PolarHBondContact O-N 3.4Å; E363-R366 IonicContact OE1-NH1 2.73Å; E363-R366 IonicContact OE2-CZ 3.39Å; E363-R366 IonicContact OE2-NH1 3.89Å; E363-R366 PolarHBondContact OE2-NH1 2.88Å; A364-R366 VanDerWaalsContact C-N 3.31Å; A364-R366 PolarHBondContact O-N 3.37Å; R366-L369 PolarHBondContact O-N 2.79Å; R366-L370 HydrophobicContact CG-CD1 4.32Å; R366-L370 WeakPolarHBondContact O-CG 3.23Å; R366-L370 PolarHBondContact O-N 3.35Å |
| 367 | Q | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 86.2 Ų | 86.2 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.5 | -64.7 | -58.4 | -21.1 | 0 | 0 | 112.4 | E363 A364 L370 T371 | E363-Q367 WeakPolarHBondContact O-CG 3.46Å; E363-Q367 PolarHBondContact O-N 2.89Å; A364-Q367 PolarHBondContact O-N 2.77Å; A364-Q367 VanDerWaalsContact O-N 3.16Å; Q367-L370 PolarHBondContact O-N 2.95Å; Q367-T371 WeakPolarHBondContact O-CB 3.17Å; Q367-T371 PolarHBondContact O-N 3.18Å; Q367-T371 PolarHBondContact O-OG1 3.32Å |
| 368 | E | 98.1 | Very high | 97.8 | Very high | 75 Ų | 75 | 85.8 Ų | 85.8 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 173.9 | -72.3 | -171.7 | -178.2 | 0 | 0 | 112.4 | L30 L33 A364 Y365 L370 T371 E372 | L30-E368 HydrophobicContact CD2-CB 4.08Å; L30-E368 WeakPolarHBondContact CD2-OE2 3.47Å; L33-E368 WeakPolarHBondContact CD1-OE1 3.28Å; L33-E368 WeakPolarHBondContact CD1-OE2 3.44Å; A364-E368 PolarHBondContact O-N 2.81Å; Y365-E368 PolarHBondContact O-N 2.82Å; E368-L370 PolarHBondContact O-N 3.37Å; E368-T371 PolarHBondContact O-N 2.86Å; E368-E372 PolarHBondContact O-N 2.69Å |
| 369 | L | 97.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 88.1 Ų | 88.1 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.1 | -74 | 178.2 | 0 | 0 | 0 | 112.2 | L30 Y365 R366 T371 L373 | L30-L369 HydrophobicContact CD1-CD2 3.78Å; L30-L369 HydrophobicContact CD2-CD2 4.42Å; Y365-L369 HydrophobicContact CD1-CD1 4.08Å; Y365-L369 HydrophobicContact CE1-CD1 3.5Å; Y365-L369 HydrophobicContact CE1-CG 4.15Å; Y365-L369 HydrophobicContact CE2-CG 4.42Å; Y365-L369 WeakPolarHBondContact O-CG 3.17Å; Y365-L369 PolarHBondContact O-N 3.42Å; R366-L369 PolarHBondContact O-N 2.79Å; L369-T371 VanDerWaalsContact C-N 3.33Å; L369-L373 WeakPolarHBondContact O-CB 3.33Å; L369-L373 VanDerWaalsContact O-CG 3.24Å; L369-L373 WeakPolarHBondContact O-CG 3.14Å; L369-L373 PolarHBondContact O-N 3.34Å |
| 370 | L | 98.3 | Very high | 97.4 | Very high | 81 Ų | 81 | 89.6 Ų | 89.6 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.2 | -69.5 | 171.4 | 0 | 0 | 0 | 111.6 | R366 Q367 E368 L373 E374 | R366-L370 HydrophobicContact CG-CD1 4.32Å; R366-L370 WeakPolarHBondContact O-CG 3.23Å; R366-L370 PolarHBondContact O-N 3.35Å; Q367-L370 PolarHBondContact O-N 2.95Å; E368-L370 PolarHBondContact O-N 3.37Å; L370-L373 PolarHBondContact O-N 2.74Å; L370-E374 PolarHBondContact O-N 3.12Å |
| 371 | T | 98.2 | Very high | 97.1 | Very high | 96 Ų | 96 | 89.6 Ų | 89.6 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.7 | -43.8 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | Q367 E368 L369 L373 E374 A375 | Q367-T371 WeakPolarHBondContact O-CB 3.17Å; Q367-T371 PolarHBondContact O-N 3.18Å; Q367-T371 PolarHBondContact O-OG1 3.32Å; E368-T371 PolarHBondContact O-N 2.86Å; L369-T371 VanDerWaalsContact C-N 3.33Å; T371-L373 PolarHBondContact O-N 3.2Å; T371-E374 PolarHBondContact O-N 3.1Å; T371-A375 VanDerWaalsContact O-CB 3.31Å; T371-A375 WeakPolarHBondContact O-CB 3.33Å; T371-A375 PolarHBondContact O-N 2.8Å |
| 372 | E | 98.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 90.6 Ų | 90.6 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 175.5 | 173.6 | 60.4 | -168.7 | 0 | 0 | 112.1 | E368 R376 R379 | E368-E372 PolarHBondContact O-N 2.69Å; E372-R376 VanDerWaalsContact O-CG 3.25Å; E372-R376 WeakPolarHBondContact O-CG 3.46Å; E372-R376 PolarHBondContact O-N 3.01Å; E372-R376 IonicContact OE1-CZ 3.17Å; E372-R376 IonicContact OE1-NE 2.7Å; E372-R376 PolarHBondContact OE1-NE 3.42Å; E372-R376 IonicContact OE1-NH2 2.78Å; E372-R376 PolarHBondContact OE1-NH2 2.59Å; E372-R379 IonicContact OE1-NH2 3.5Å; E372-R379 IonicContact OE2-NH2 3.57Å |
| 373 | L | 97.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 90.7 Ų | 90.7 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.1 | -47 | 172.3 | -77.3 | 170.2 | 0 | 0 | 0 | 111.8 | L369 L370 T371 R376 K377 | L369-L373 WeakPolarHBondContact O-CB 3.33Å; L369-L373 VanDerWaalsContact O-CG 3.24Å; L369-L373 WeakPolarHBondContact O-CG 3.14Å; L369-L373 PolarHBondContact O-N 3.34Å; L370-L373 PolarHBondContact O-N 2.74Å; T371-L373 PolarHBondContact O-N 3.2Å; L373-R376 WeakPolarHBondContact O-CB 3.41Å; L373-R376 PolarHBondContact O-N 2.91Å; L373-K377 PolarHBondContact O-N 3.43Å |
| 374 | E | 97.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 93.2 Ų | 93.2 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177.8 | -172.8 | 56.6 | -145.2 | 0 | 0 | 111.3 | L370 T371 R376 K377 Q378 | L370-E374 PolarHBondContact O-N 3.12Å; T371-E374 PolarHBondContact O-N 3.1Å; E374-R376 VanDerWaalsContact C-N 3.29Å; E374-R376 PolarHBondContact O-N 3.11Å; E374-K377 WeakPolarHBondContact O-CB 3.17Å; E374-K377 PolarHBondContact O-N 3.17Å; E374-K377 VanDerWaalsContact O-N 3.14Å; E374-K377 IonicContact OE1-NZ 3.98Å; E374-K377 PolarHBondContact OE1-NZ 2.86Å; E374-K377 IonicContact OE2-NZ 2.95Å; E374-K377 PolarHBondContact OE2-NZ 2.89Å; E374-Q378 HydrophobicContact CG-CG 4.5Å; E374-Q378 WeakPolarHBondContact O-CG 3.36Å; E374-Q378 PolarHBondContact O-N 3.29Å; E374-Q378 PolarHBondContact OE1-NE2 2.87Å |
| 375 | A | 97.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 94.9 Ų | 94.9 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -33.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T371 R379 | T371-A375 VanDerWaalsContact O-CB 3.31Å; T371-A375 WeakPolarHBondContact O-CB 3.33Å; T371-A375 PolarHBondContact O-N 2.8Å; A375-R379 WeakPolarHBondContact O-CB 3.28Å; A375-R379 WeakPolarHBondContact O-CG 3.49Å; A375-R379 PolarHBondContact O-N 2.95Å; A375-R379 VanDerWaalsContact O-N 3.12Å; A375-R379 PolarHBondContact O-NE 2.86Å; A375-R379 VanDerWaalsContact O-NE 3.1Å |
| 376 | R | 96.6 | Very high | 94.4 | Very high | 133 Ų | 133 | 99.9 Ų | 99.9 | 50% | 0.502 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.8 | -45.2 | 171.3 | -74.6 | 171.1 | -172.2 | -164.9 | 2.7 | 111.9 | E372 L373 E374 R379 Q380 | E372-R376 VanDerWaalsContact O-CG 3.25Å; E372-R376 WeakPolarHBondContact O-CG 3.46Å; E372-R376 PolarHBondContact O-N 3.01Å; E372-R376 IonicContact OE1-CZ 3.17Å; E372-R376 IonicContact OE1-NE 2.7Å; E372-R376 PolarHBondContact OE1-NE 3.42Å; E372-R376 IonicContact OE1-NH2 2.78Å; E372-R376 PolarHBondContact OE1-NH2 2.59Å; L373-R376 WeakPolarHBondContact O-CB 3.41Å; L373-R376 PolarHBondContact O-N 2.91Å; E374-R376 VanDerWaalsContact C-N 3.29Å; E374-R376 PolarHBondContact O-N 3.11Å; R376-R379 PolarHBondContact O-N 3.37Å; R376-Q380 WeakPolarHBondContact O-CB 3.37Å; R376-Q380 PolarHBondContact O-N 3.41Å |
| 377 | K | 96.7 | Very high | 93.2 | Very high | 95 Ų | 95 | 98.9 Ų | 98.9 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.2 | 167.6 | 167.7 | 158 | -92.7 | 0 | 111.8 | L373 E374 Q380 Q381 | L373-K377 PolarHBondContact O-N 3.43Å; E374-K377 WeakPolarHBondContact O-CB 3.17Å; E374-K377 PolarHBondContact O-N 3.17Å; E374-K377 VanDerWaalsContact O-N 3.14Å; E374-K377 IonicContact OE1-NZ 3.98Å; E374-K377 PolarHBondContact OE1-NZ 2.86Å; E374-K377 IonicContact OE2-NZ 2.95Å; E374-K377 PolarHBondContact OE2-NZ 2.89Å; K377-Q380 PolarHBondContact O-N 3.12Å; K377-Q381 WeakPolarHBondContact O-CG 3.49Å; K377-Q381 PolarHBondContact O-N 2.73Å |
| 378 | Q | 95.7 | Very high | 91.5 | Very high | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 175.5 | -69.8 | 177.8 | 14.4 | 0 | 0 | 112.2 | E374 Q380 Q381 Q382 | E374-Q378 HydrophobicContact CG-CG 4.5Å; E374-Q378 WeakPolarHBondContact O-CG 3.36Å; E374-Q378 PolarHBondContact O-N 3.29Å; E374-Q378 PolarHBondContact OE1-NE2 2.87Å; Q378-Q380 VanDerWaalsContact C-N 3.27Å; Q378-Q380 PolarHBondContact O-N 2.88Å; Q378-Q381 PolarHBondContact O-N 2.8Å; Q378-Q382 WeakPolarHBondContact O-CB 3.32Å; Q378-Q382 VanDerWaalsContact O-CG 3.28Å; Q378-Q382 WeakPolarHBondContact O-CG 3.4Å; Q378-Q382 PolarHBondContact O-N 3.26Å |
| 379 | R | 94.8 | Very high | 89.7 | Confident | 131 Ų | 131 | 102.9 Ų | 102.9 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.5 | -39.8 | 173.6 | -78.7 | 179.9 | -69.1 | -154.2 | -0.6 | 112.2 | E372 A375 R376 W383 | E372-R379 IonicContact OE1-NH2 3.5Å; E372-R379 IonicContact OE2-NH2 3.57Å; A375-R379 WeakPolarHBondContact O-CB 3.28Å; A375-R379 WeakPolarHBondContact O-CG 3.49Å; A375-R379 PolarHBondContact O-N 2.95Å; A375-R379 VanDerWaalsContact O-N 3.12Å; A375-R379 PolarHBondContact O-NE 2.86Å; A375-R379 VanDerWaalsContact O-NE 3.1Å; R376-R379 PolarHBondContact O-N 3.37Å; R379-W383 WeakPolarHBondContact O-CB 3.18Å; R379-W383 PolarHBondContact O-N 3.37Å |
| 380 | Q | 93.3 | Very high | 87.7 | Confident | 111 Ų | 111 | 108.2 Ų | 108.2 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 176.5 | -175.7 | 178.1 | 21 | 0 | 0 | 112 | R376 K377 Q378 W383 Y384 | R376-Q380 WeakPolarHBondContact O-CB 3.37Å; R376-Q380 PolarHBondContact O-N 3.41Å; K377-Q380 PolarHBondContact O-N 3.12Å; Q378-Q380 VanDerWaalsContact C-N 3.27Å; Q378-Q380 PolarHBondContact O-N 2.88Å; Q380-W383 WeakPolarHBondContact O-CB 3.24Å; Q380-W383 PolarHBondContact O-N 3.48Å; Q380-Y384 HydrophobicContact CG-CD2 3.89Å; Q380-Y384 HydrophobicContact CG-CE2 3.51Å; Q380-Y384 WeakPolarHBondContact O-CD2 3.38Å; Q380-Y384 PolarHBondContact O-N 2.99Å |
| 381 | Q | 92.2 | Very high | 85.4 | Confident | 110 Ų | 110 | 107 Ų | 107 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.5 | -73.6 | 175 | -11.6 | 0 | 0 | 111.8 | K377 Q378 W383 Y384 A385 | K377-Q381 WeakPolarHBondContact O-CG 3.49Å; K377-Q381 PolarHBondContact O-N 2.73Å; Q378-Q381 PolarHBondContact O-N 2.8Å; Q381-W383 VanDerWaalsContact C-N 3.31Å; Q381-W383 PolarHBondContact O-N 2.99Å; Q381-Y384 PolarHBondContact O-N 2.79Å; Q381-A385 WeakPolarHBondContact O-CB 3.19Å; Q381-A385 PolarHBondContact O-N 3.09Å |
| 382 | Q | 91 | Very high | 83.2 | Confident | 107 Ų | 107 | 113.4 Ų | 113.4 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 174.5 | -71.6 | 169.4 | 0.8 | 0 | 0 | 112 | Q378 A385 Q386 | Q378-Q382 WeakPolarHBondContact O-CB 3.32Å; Q378-Q382 VanDerWaalsContact O-CG 3.28Å; Q378-Q382 WeakPolarHBondContact O-CG 3.4Å; Q378-Q382 PolarHBondContact O-N 3.26Å; Q382-A385 PolarHBondContact O-N 3.37Å; Q382-Q386 WeakPolarHBondContact O-CB 3.27Å; Q382-Q386 WeakPolarHBondContact O-CG 3.43Å; Q382-Q386 PolarHBondContact O-N 2.87Å; Q382-Q386 VanDerWaalsContact O-N 3.09Å; Q382-Q386 PolarHBondContact O-NE2 2.76Å |
| 383 | W | 90.3 | Very high | 80.9 | Confident | 149 Ų | 149 | 115.1 Ų | 115.1 | 56% | 0.564 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65 | -43 | 175.8 | -175.9 | 88.5 | 0 | 0 | 0 | 111.9 | R379 Q380 Q381 Q386 Q387 | R379-W383 WeakPolarHBondContact O-CB 3.18Å; R379-W383 PolarHBondContact O-N 3.37Å; Q380-W383 WeakPolarHBondContact O-CB 3.24Å; Q380-W383 PolarHBondContact O-N 3.48Å; Q381-W383 VanDerWaalsContact C-N 3.31Å; Q381-W383 PolarHBondContact O-N 2.99Å; W383-Q386 PolarHBondContact O-N 2.83Å; W383-Q387 VanDerWaalsContact CH2-NE2 3.25Å; W383-Q387 VanDerWaalsContact CZ2-NE2 3.26Å |
| 384 | Y | 88.6 | Confident | 78.5 | Confident | 142 Ų | 142 | 113.4 Ų | 113.4 | 56% | 0.557 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67 | -38.9 | 173.9 | -74.8 | -63.7 | 0 | 0 | 0 | 112.7 | Q380 Q381 Q386 Q387 | Q380-Y384 HydrophobicContact CG-CD2 3.89Å; Q380-Y384 HydrophobicContact CG-CE2 3.51Å; Q380-Y384 WeakPolarHBondContact O-CD2 3.38Å; Q380-Y384 PolarHBondContact O-N 2.99Å; Q381-Y384 PolarHBondContact O-N 2.79Å; Y384-Q386 VanDerWaalsContact C-N 3.27Å; Y384-Q386 PolarHBondContact O-N 2.83Å; Y384-Q387 WeakPolarHBondContact O-CB 3.3Å; Y384-Q387 PolarHBondContact O-N 2.99Å |
| 385 | A | 85 | Confident | 76.3 | Confident | 86 Ų | 86 | 117.9 Ų | 117.9 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.8 | -25 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q381 Q382 | Q381-A385 WeakPolarHBondContact O-CB 3.19Å; Q381-A385 PolarHBondContact O-N 3.09Å; Q382-A385 PolarHBondContact O-N 3.37Å |
| 386 | Q | 79.4 | Confident | 73.6 | Confident | 152 Ų | 152 | 129 Ų | 129 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -7.5 | 175.5 | -76.3 | 169.4 | 87.3 | 0 | 0 | 113.8 | Q382 W383 Y384 P388 | Q382-Q386 WeakPolarHBondContact O-CB 3.27Å; Q382-Q386 WeakPolarHBondContact O-CG 3.43Å; Q382-Q386 PolarHBondContact O-N 2.87Å; Q382-Q386 VanDerWaalsContact O-N 3.09Å; Q382-Q386 PolarHBondContact O-NE2 2.76Å; W383-Q386 PolarHBondContact O-N 2.83Å; Y384-Q386 VanDerWaalsContact C-N 3.27Å; Y384-Q386 PolarHBondContact O-N 2.83Å; Q386-P388 WeakPolarHBondContact O-CD 3.42Å |
| 387 | Q | 71.7 | Confident | 72.5 | Confident | 103 Ų | 103 | 128.8 Ų | 128.8 | 48% | 0.481 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -67.5 | 118.2 | 170.4 | -69.6 | -73.2 | -9.1 | 0 | 0 | 108.4 | W383 Y384 N389 | W383-Q387 VanDerWaalsContact CH2-NE2 3.25Å; W383-Q387 VanDerWaalsContact CZ2-NE2 3.26Å; Y384-Q387 WeakPolarHBondContact O-CB 3.3Å; Y384-Q387 PolarHBondContact O-N 2.99Å; Q387-N389 PolarHBondContact O-N 3.39Å |
| 388 | P | 64 | Low | 71.2 | Confident | 99 Ų | 99 | 130.5 Ų | 130.5 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | trans | -61.8 | 128.1 | 176.2 | 25.9 | -33 | 0 | 0 | 0 | 108.3 | Q386 K390 | Q386-P388 WeakPolarHBondContact O-CD 3.42Å; P388-K390 VanDerWaalsContact C-N 3.27Å; P388-K390 PolarHBondContact O-N 2.82Å | ||
| 389 | N | 58.8 | Low | 69.8 | Low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 69% | 0.694 | S | S | * | * | trans | -62.7 | 94.1 | 172 | -174.5 | 8.5 | 0 | 0 | 0 | 108 | Q387 G391 | Q387-N389 PolarHBondContact O-N 3.39Å; N389-G391 PolarHBondContact O-N 3.17Å; N389-G391 PolarHBondContact OD1-N 2.8Å | ||
| 390 | K | 56.6 | Low | 68.4 | Low | 177 Ų | 177 | 132.7 Ų | 132.7 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | -71 | 65.9 | 167.2 | -75.9 | -171.9 | 175.9 | -178.3 | 0 | 108.5 | P388 Y392 | P388-K390 VanDerWaalsContact C-N 3.27Å; P388-K390 PolarHBondContact O-N 2.82Å; K390-Y392 PolarHBondContact O-N 3.15Å; K390-Y392 VanDerWaalsContact O-N 3.1Å | ||
| 391 | G | 49.7 | Very low | 66.8 | Low | 56 Ų | 56 | 134.1 Ų | 134.1 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | trans | -55.3 | 115.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | N389 G393 | N389-G391 PolarHBondContact O-N 3.17Å; N389-G391 PolarHBondContact OD1-N 2.8Å; G391-G393 PolarHBondContact O-N 2.86Å | ||
| 392 | Y | 52.8 | Low | 65.1 | Low | 229 Ų | 229 | 135.7 Ų | 135.7 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | trans | -67.2 | 79.8 | 167.4 | -83.2 | -101.2 | 0 | 0 | 0 | 107.7 | K390 G394 | K390-Y392 PolarHBondContact O-N 3.15Å; K390-Y392 VanDerWaalsContact O-N 3.1Å; Y392-G394 VanDerWaalsContact C-N 3.26Å; Y392-G394 PolarHBondContact O-N 2.58Å | ||
| 393 | G | 48.4 | Very low | 63.3 | Low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -64.7 | 93.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107 | G391 N395 | G391-G393 PolarHBondContact O-N 2.86Å; G393-N395 PolarHBondContact O-N 3Å; G393-N395 VanDerWaalsContact O-N 3.09Å | ||
| 394 | G | 48.3 | Very low | 61.2 | Low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -64.5 | 108.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y392 M396 | Y392-G394 VanDerWaalsContact C-N 3.26Å; Y392-G394 PolarHBondContact O-N 2.58Å; G394-M396 PolarHBondContact O-N 3.44Å | ||
| 395 | N | 50.5 | Low | 58.9 | Low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -76.6 | 101.8 | 151.3 | -95.9 | -15.8 | 0 | 0 | 0 | 107.4 | G393 | G393-N395 PolarHBondContact O-N 3Å; G393-N395 VanDerWaalsContact O-N 3.09Å | ||
| 396 | M | 41.5 | Very low | 56.5 | Low | 265 Ų | 265 | 141 Ų | 141 | 100% | 1.305 | 79% | 0.785 | S | S | * | * | trans | -171 | 0 | 144.5 | -104.8 | 176.9 | -167.9 | 0 | 0 | 110.2 | G394 | G394-M396 PolarHBondContact O-N 3.44Š|
Retrieved 396 of 396 residues in 203.9 ms
(Link to these results)