| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.4 | Very low | 59.7 | Low | 221 Ų | 221 | 171.9 Ų | 171.9 | 100% | 1.089 | 77% | 0.77 | S | S | * | * | 0 | 107.5 | 0 | -72.7 | -53.8 | -174.3 | 0 | 0 | 108.5 | |||||
| 2 | T | 41.5 | Very low | 61.1 | Low | 142 Ų | 142 | 162.8 Ų | 162.8 | 87% | 0.871 | 74% | 0.737 | S | S | * | * | trans | -83.3 | 110.8 | 176.3 | 47.5 | 0 | 0 | 0 | 0 | 108.4 | R4 | T2-R4 PolarHBondContact O-N 3.44Å; T2-R4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | Y | 42.5 | Very low | 62.3 | Low | 223 Ų | 223 | 162.2 Ų | 162.2 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | trans | -62.9 | 114.8 | 174 | -70.5 | -90.8 | 0 | 0 | 0 | 108.9 | R5 | Y3-R5 PolarHBondContact O-N 3.45Š| ||
| 4 | R | 56.3 | Low | 62.8 | Low | 231 Ų | 231 | 158.1 Ų | 158.1 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | trans | -63.9 | 115.5 | 161.5 | -83.2 | -171.9 | -179 | -178.4 | 1.3 | 106.3 | T2 D6 | T2-R4 PolarHBondContact O-N 3.44Å; T2-R4 VanDerWaalsContact O-N 3.16Å; R4-D6 PolarHBondContact O-N 3.39Å | ||
| 5 | R | 59.8 | Low | 63.4 | Low | 243 Ų | 243 | 153.3 Ų | 153.3 | 92% | 0.917 | 69% | 0.694 | S | S | * | * | trans | -66.1 | 116 | 162.9 | -103.7 | -175.7 | 171.9 | 102.1 | -2.2 | 106.8 | Y3 | Y3-R5 PolarHBondContact O-N 3.45Š| ||
| 6 | D | 65.7 | Low | 63.6 | Low | 153 Ų | 153 | 154.9 Ų | 154.9 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133.5 | 167.1 | -67.7 | -42.2 | 0 | 0 | 0 | 108.7 | R4 S8 | R4-D6 PolarHBondContact O-N 3.39Å; D6-S8 PolarHBondContact O-N 3.37Å |
| 7 | R | 70.2 | Confident | 63.5 | Low | 180 Ų | 180 | 152.7 Ų | 152.7 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.7 | 179.6 | -72.6 | -177.1 | -164.8 | -167.6 | 3.3 | 109.4 | V12 D15 | R7-V12 HydrophobicContact CB-CG2 4.31Å; R7-D15 IonicContact NH1-OD2 2.8Å |
| 8 | S | 73.2 | Confident | 63.1 | Low | 54 Ų | 54 | 151.1 Ų | 151.1 | 38% | 0.378 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 146.3 | 179.6 | 85.1 | 0 | 0 | 0 | 0 | 110 | D6 R10 E11 V12 | D6-S8 PolarHBondContact O-N 3.37Å; S8-R10 PolarHBondContact O-N 3.39Å; S8-E11 PolarHBondContact N-OE2 3.21Å; S8-E11 VanDerWaalsContact N-OE2 3.14Å; S8-E11 WeakPolarHBondContact O-CB 3.32Å; S8-E11 PolarHBondContact O-N 3.2Å; S8-E11 WeakPolarHBondContact OG-CG 3.46Å; S8-E11 PolarHBondContact OG-N 3.29Å; S8-V12 PolarHBondContact O-N 3.29Å |
| 9 | I | 71.8 | Confident | 62.6 | Low | 152 Ų | 152 | 151.5 Ų | 151.5 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -53.6 | -31 | 178.3 | -62.9 | 169.1 | 0 | 0 | 0 | 111 | V12 Y13 | I9-V12 PolarHBondContact O-N 3.13Å; I9-Y13 WeakPolarHBondContact O-CB 3.47Å; I9-Y13 PolarHBondContact O-N 3.26Å |
| 10 | R | 66.4 | Low | 61.8 | Low | 190 Ų | 190 | 152.5 Ų | 152.5 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.4 | -42.4 | 175.1 | -169.8 | 176.6 | -167.1 | 156.7 | 7.4 | 112.7 | S8 Y13 E14 | S8-R10 PolarHBondContact O-N 3.39Å; R10-Y13 PolarHBondContact O-N 3.35Å; R10-E14 PolarHBondContact O-N 3.14Å |
| 11 | E | 70.7 | Confident | 61 | Low | 102 Ų | 102 | 154.7 Ų | 154.7 | 48% | 0.477 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -67.3 | -38 | 177.5 | -69.3 | 165.7 | -179.1 | 0 | 0 | 111.4 | S8 Y13 E14 D15 | S8-E11 PolarHBondContact N-OE2 3.21Å; S8-E11 VanDerWaalsContact N-OE2 3.14Å; S8-E11 WeakPolarHBondContact O-CB 3.32Å; S8-E11 PolarHBondContact O-N 3.2Å; S8-E11 WeakPolarHBondContact OG-CG 3.46Å; S8-E11 PolarHBondContact OG-N 3.29Å; E11-Y13 VanDerWaalsContact C-N 3.29Å; E11-Y13 PolarHBondContact O-N 3.16Å; E11-E14 PolarHBondContact O-N 3.36Å; E11-D15 PolarHBondContact O-N 3.47Å |
| 12 | V | 76.6 | Confident | 61.2 | Low | 62 Ų | 62 | 150.1 Ų | 150.1 | 38% | 0.376 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.1 | -34.1 | 175.4 | 179 | 0 | 0 | 0 | 0 | 111.7 | R7 S8 I9 R16 | R7-V12 HydrophobicContact CB-CG2 4.31Å; S8-V12 PolarHBondContact O-N 3.29Å; I9-V12 PolarHBondContact O-N 3.13Å; V12-R16 WeakPolarHBondContact O-CB 3.5Å; V12-R16 PolarHBondContact O-N 3.04Å |
| 13 | Y | 76.4 | Confident | 61.2 | Low | 155 Ų | 155 | 146.1 Ų | 146.1 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.6 | -42.2 | 177.9 | -149.5 | -87.7 | 0 | 0 | 0 | 111.7 | I9 R10 E11 R16 F17 | I9-Y13 WeakPolarHBondContact O-CB 3.47Å; I9-Y13 PolarHBondContact O-N 3.26Å; R10-Y13 PolarHBondContact O-N 3.35Å; E11-Y13 VanDerWaalsContact C-N 3.29Å; E11-Y13 PolarHBondContact O-N 3.16Å; Y13-R16 PolarHBondContact O-N 2.88Å; Y13-F17 AromaticContact CD1-CD2 3.86Å; Y13-F17 HydrophobicContact CD1-CD2 3.86Å; Y13-F17 HydrophobicContact CD1-CE2 4.46Å; Y13-F17 HydrophobicContact CD2-CD2 4.33Å; Y13-F17 HydrophobicContact CD2-CE2 4.22Å; Y13-F17 AromaticContact CE1-CD2 3.76Å; Y13-F17 HydrophobicContact CE1-CD2 3.76Å; Y13-F17 HydrophobicContact CE1-CE2 4.13Å; Y13-F17 HydrophobicContact CE1-CG 4.29Å; Y13-F17 HydrophobicContact CE2-CD2 4.24Å; Y13-F17 AromaticContact CE2-CE2 3.88Å; Y13-F17 HydrophobicContact CE2-CE2 3.88Å; Y13-F17 HydrophobicContact CG-CD2 4.15Å; Y13-F17 AromaticContact CZ-CD2 3.97Å; Y13-F17 AromaticContact CZ-CE2 3.83Å; Y13-F17 WeakPolarHBondContact O-CD2 3.42Å; Y13-F17 PolarHBondContact O-N 2.95Å; Y13-F17 VanDerWaalsContact O-N 3.16Å |
| 14 | E | 69.4 | Low | 61.1 | Low | 105 Ų | 105 | 142.2 Ų | 142.2 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.7 | -45 | 175.8 | -77.3 | -173.1 | -174.9 | 0 | 0 | 112 | R10 E11 R16 F17 M18 | R10-E14 PolarHBondContact O-N 3.14Å; E11-E14 PolarHBondContact O-N 3.36Å; E14-R16 VanDerWaalsContact C-N 3.33Å; E14-R16 PolarHBondContact O-N 3.02Å; E14-F17 PolarHBondContact O-N 3.47Å; E14-M18 WeakPolarHBondContact O-CB 3.49Å; E14-M18 WeakPolarHBondContact O-CG 3.43Å; E14-M18 PolarHBondContact O-N 3.19Å |
| 15 | D | 71.9 | Confident | 60.2 | Low | 87 Ų | 87 | 141.8 Ų | 141.8 | 47% | 0.465 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 178.7 | -98.2 | -7.7 | 0 | 0 | 0 | 112.7 | R7 E11 | R7-D15 IonicContact NH1-OD2 2.8Å; E11-D15 PolarHBondContact O-N 3.47Å |
| 16 | R | 66.5 | Low | 59.5 | Low | 178 Ų | 178 | 136.3 Ų | 136.3 | 67% | 0.672 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.6 | -30 | -174.9 | -160.6 | -176 | -60.5 | -161.7 | 0.5 | 113.2 | V12 Y13 E14 | V12-R16 WeakPolarHBondContact O-CB 3.5Å; V12-R16 PolarHBondContact O-N 3.04Å; Y13-R16 PolarHBondContact O-N 2.88Å; E14-R16 VanDerWaalsContact C-N 3.33Å; E14-R16 PolarHBondContact O-N 3.02Å |
| 17 | F | 62.1 | Low | 58.5 | Low | 118 Ų | 118 | 140.9 Ų | 140.9 | 52% | 0.518 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -113.3 | -9.5 | -171.4 | -71 | -82 | 0 | 0 | 0 | 114.6 | Y13 E14 | Y13-F17 AromaticContact CD1-CD2 3.86Å; Y13-F17 HydrophobicContact CD1-CD2 3.86Å; Y13-F17 HydrophobicContact CD1-CE2 4.46Å; Y13-F17 HydrophobicContact CD2-CD2 4.33Å; Y13-F17 HydrophobicContact CD2-CE2 4.22Å; Y13-F17 AromaticContact CE1-CD2 3.76Å; Y13-F17 HydrophobicContact CE1-CD2 3.76Å; Y13-F17 HydrophobicContact CE1-CE2 4.13Å; Y13-F17 HydrophobicContact CE1-CG 4.29Å; Y13-F17 HydrophobicContact CE2-CD2 4.24Å; Y13-F17 AromaticContact CE2-CE2 3.88Å; Y13-F17 HydrophobicContact CE2-CE2 3.88Å; Y13-F17 HydrophobicContact CG-CD2 4.15Å; Y13-F17 AromaticContact CZ-CD2 3.97Å; Y13-F17 AromaticContact CZ-CE2 3.83Å; Y13-F17 WeakPolarHBondContact O-CD2 3.42Å; Y13-F17 PolarHBondContact O-N 2.95Å; Y13-F17 VanDerWaalsContact O-N 3.16Å; E14-F17 PolarHBondContact O-N 3.47Å |
| 18 | M | 56.8 | Low | 56.9 | Low | 124 Ų | 124 | 137 Ų | 137 | 61% | 0.611 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90 | -18.6 | 173.8 | -76.1 | -74.1 | -169.1 | 0 | 0 | 114.3 | E14 E20 | E14-M18 WeakPolarHBondContact O-CB 3.49Å; E14-M18 WeakPolarHBondContact O-CG 3.43Å; E14-M18 PolarHBondContact O-N 3.19Å; M18-E20 VanDerWaalsContact C-N 3.31Å; M18-E20 PolarHBondContact O-N 3.45Å |
| 19 | Q | 52.4 | Low | 55.2 | Low | 159 Ų | 159 | 139.1 Ų | 139.1 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -17.5 | -180 | -75.4 | 174.4 | 13.6 | 0 | 0 | 113.7 | ||
| 20 | E | 46.9 | Very low | 53.5 | Low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 5.7 | 176.8 | -76.4 | -164.9 | 157.2 | 0 | 0 | 114.4 | M18 P22 | M18-E20 VanDerWaalsContact C-N 3.31Å; M18-E20 PolarHBondContact O-N 3.45Å; E20-P22 WeakPolarHBondContact O-CD 3.45Å |
| 21 | R | 45.7 | Very low | 52.1 | Low | 199 Ų | 199 | 131 Ų | 131 | 75% | 0.751 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -93 | 106.4 | 175.7 | -149 | -178.7 | -166.6 | -171.8 | 5 | 110.1 | G23 | R21-G23 PolarHBondContact O-N 3.45Å; R21-G23 VanDerWaalsContact O-N 3.07Å |
| 22 | P | 43.3 | Very low | 50.6 | Low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | trans | -62.6 | 118 | 170.8 | 24.1 | -31.1 | 0 | 0 | 0 | 109.9 | E20 | E20-P22 WeakPolarHBondContact O-CD 3.45Š| ||
| 23 | G | 40.7 | Very low | 49.4 | Very low | 59 Ų | 59 | 138.5 Ų | 138.5 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | trans | 18 | 120.9 | 155 | 0 | 0 | 0 | 0 | 0 | 120.4 | R21 | R21-G23 PolarHBondContact O-N 3.45Å; R21-G23 VanDerWaalsContact O-N 3.07Å | ||
| 24 | T | 40.4 | Very low | 47.8 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | 40.8 | 95.8 | 121.9 | -30.6 | 0 | 0 | 0 | 0 | 116.9 | P26 | T24-P26 WeakPolarHBondContact O-CD 3.19Š| |||
| 25 | Y | 37.4 | Very low | 46.2 | Very low | 222 Ų | 222 | 150.3 Ų | 150.3 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | trans | -57.5 | 125.5 | 165.6 | -79.6 | -90.9 | 0 | 0 | 0 | 111.3 | R27 | Y25-R27 PolarHBondContact O-N 2.89Š| ||
| 26 | P | 45.4 | Very low | 44.7 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -78.4 | 120.3 | 162.8 | 30.6 | -27.6 | 0 | 0 | 0 | 108.5 | T24 | T24-P26 WeakPolarHBondContact O-CD 3.19Š| ||
| 27 | R | 44.2 | Very low | 43.9 | Very low | 249 Ų | 249 | 146.2 Ų | 146.2 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -109.1 | 112.5 | 169.1 | -172.5 | -176.5 | -154 | 178.2 | 7.7 | 109.6 | Y25 | Y25-R27 PolarHBondContact O-N 2.89Š| ||
| 28 | A | 37.4 | Very low | 42.8 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 156.6 | 136.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 29 | A | 36.4 | Very low | 42.2 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -157.8 | 149.1 | 25.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | G | 37.4 | Very low | 41.7 | Very low | 78 Ų | 78 | 151.3 Ų | 151.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 77.7 | 97.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 31 | A | 35.8 | Very low | 41.7 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | 173.2 | 116 | 126.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 32 | V | 40.1 | Very low | 41.5 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | 75.6 | 109.4 | 147 | -170.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 33 | E | 50.3 | Low | 41.7 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -43.9 | 129.9 | 166.8 | -56.9 | 170.5 | 139.6 | 0 | 0 | 113.7 | ||||
| 34 | R | 42.5 | Very low | 41.8 | Very low | 252 Ų | 252 | 155 Ų | 155 | 95% | 0.951 | 84% | 0.835 | S | S | * | * | trans | -150.7 | 87.9 | 137.7 | -73.2 | -150.7 | -178.1 | -142.1 | 0.2 | 109.7 | ||||
| 35 | R | 37.3 | Very low | 41.9 | Very low | 256 Ų | 256 | 160.1 Ų | 160.1 | 97% | 0.966 | 84% | 0.841 | S | S | * | * | trans | -84.9 | 112.9 | 168.3 | -151.2 | -176.3 | -164.7 | -173.9 | 3.9 | 107.1 | ||||
| 36 | G | 38.7 | Very low | 42.4 | Very low | 62 Ų | 62 | 153 Ų | 153 | 64% | 0.639 | 83% | 0.834 | S | S | * | * | trans | -117.9 | 128.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 37 | P | 51 | Low | 42.1 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | trans | -94 | 111 | -177.2 | 34.2 | -25.7 | 0 | 0 | 0 | 109.6 | ||||
| 38 | F | 38.2 | Very low | 41.7 | Very low | 209 Ų | 209 | 150.9 Ų | 150.9 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | -127.3 | 99.9 | 156.4 | -73.6 | -71.3 | 0 | 0 | 0 | 107.7 | ||||
| 39 | G | 43.7 | Very low | 41.7 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | -72.8 | 151.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 40 | R | 43 | Very low | 41.9 | Very low | 224 Ų | 224 | 155.2 Ų | 155.2 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | -67.8 | 129.9 | 175.5 | -158.9 | -175.7 | -167.2 | -178.3 | 1.9 | 109.2 | E42 | R40-E42 PolarHBondContact O-N 3.29Š| ||
| 41 | P | 47.4 | Very low | 42 | Very low | 127 Ų | 127 | 160.6 Ų | 160.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 58.5 | -168.7 | 37.2 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 42 | E | 41 | Very low | 42.4 | Very low | 164 Ų | 164 | 167.3 Ų | 167.3 | 77% | 0.766 | 84% | 0.844 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -8.6 | 179.5 | -84.9 | -93.1 | 148.2 | 0 | 0 | 114.6 | R40 | R40-E42 PolarHBondContact O-N 3.29Š|
| 43 | D | 47.5 | Very low | 42.6 | Very low | 153 Ų | 153 | 169.7 Ų | 169.7 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -112.8 | 12.7 | -168.8 | -64 | -54.1 | 0 | 0 | 0 | 116 | ||
| 44 | E | 42.8 | Very low | 42.6 | Very low | 185 Ų | 185 | 164.7 Ų | 164.7 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -100 | 31.1 | -171.5 | -154.7 | 101.9 | -136.8 | 0 | 0 | 115.6 | ||||
| 45 | Y | 42.6 | Very low | 42.7 | Very low | 249 Ų | 249 | 155.5 Ų | 155.5 | 98% | 0.976 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -114.8 | 47.3 | 173.5 | -80.4 | -80 | 0 | 0 | 0 | 113.3 | ||
| 46 | G | 48.4 | Very low | 43.5 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | -155.5 | 34.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 47 | R | 38 | Very low | 44.6 | Very low | 249 Ų | 249 | 156.9 Ų | 156.9 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -152.4 | 100.8 | 167.8 | -140.4 | 172.7 | -152.7 | -104 | 1.1 | 112.5 | ||||
| 48 | G | 36.8 | Very low | 44.7 | Very low | 85 Ų | 85 | 160.1 Ų | 160.1 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | trans | -64.4 | 149.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 49 | G | 36.7 | Very low | 46.1 | Very low | 66 Ų | 66 | 156.5 Ų | 156.5 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 175.1 | 95.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E51 | G49-E51 PolarHBondContact O-N 3.06Š| ||
| 50 | Y | 41.1 | Very low | 46.6 | Very low | 222 Ų | 222 | 157.9 Ų | 157.9 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -58 | 123.2 | 165.9 | 42.5 | -85.6 | 0 | 0 | 0 | 109 | ||||
| 51 | E | 40 | Very low | 47 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -151.7 | 106.8 | 155.2 | -119.6 | 164.4 | -162.1 | 0 | 0 | 109 | G49 E53 | G49-E51 PolarHBondContact O-N 3.06Å; E51-E53 PolarHBondContact O-N 3.49Å | ||
| 52 | Y | 43.3 | Very low | 47.3 | Very low | 235 Ų | 235 | 152.6 Ų | 152.6 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 105.2 | 168.6 | 177.3 | -93 | 0 | 0 | 0 | 106.7 | ||||
| 53 | E | 45.3 | Very low | 48.2 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -143 | 110.9 | 161.5 | -143.6 | 175.2 | -162.7 | 0 | 0 | 110.4 | E51 G55 | E51-E53 PolarHBondContact O-N 3.49Å; E53-G55 PolarHBondContact O-N 3.45Å | ||
| 54 | G | 50 | Low | 48.6 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -70.4 | 116.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 55 | G | 43.4 | Very low | 49.1 | Very low | 59 Ų | 59 | 139.4 Ų | 139.4 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -118.6 | 126 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | E53 R57 | E53-G55 PolarHBondContact O-N 3.45Å; G55-R57 PolarHBondContact O-N 3.34Å | ||
| 56 | P | 54.5 | Low | 49.6 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.5 | -177.3 | -16.8 | 29.3 | 0 | 0 | 0 | 112 | F58 | P56-F58 PolarHBondContact O-N 3.37Š|
| 57 | R | 61.8 | Low | 49.4 | Very low | 212 Ų | 212 | 139 Ų | 139 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 118.2 | 171.6 | -72.5 | -176.3 | 177.6 | -169.7 | -0.9 | 109.9 | G55 Y59 | G55-R57 PolarHBondContact O-N 3.34Å; R57-Y59 HydrophobicContact CB-CE2 4.13Å; R57-Y59 WeakPolarHBondContact O-CD2 3.45Å |
| 58 | F | 53.7 | Low | 49.2 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 119.8 | 175.9 | -169.2 | -96.4 | 0 | 0 | 0 | 110.3 | P56 P60 | P56-F58 PolarHBondContact O-N 3.37Å; F58-P60 HydrophobicContact CD1-CB 4.43Å; F58-P60 HydrophobicContact CE1-CB 4.15Å; F58-P60 WeakPolarHBondContact O-CD 3.4Å |
| 59 | Y | 67.8 | Low | 49.2 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 52% | 0.518 | 78% | 0.775 | S | S | . | * | trans | -103.9 | 104.1 | 174.6 | -69 | -87.4 | 0 | 0 | 0 | 109.4 | R57 N61 | R57-Y59 HydrophobicContact CB-CE2 4.13Å; R57-Y59 WeakPolarHBondContact O-CD2 3.45Å; Y59-N61 PolarHBondContact O-N 3.48Å; Y59-N61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | P | 53.3 | Low | 49.3 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -8.5 | -173.9 | 26.9 | -32.9 | 0 | 0 | 0 | 114.1 | F58 | F58-P60 HydrophobicContact CD1-CB 4.43Å; F58-P60 HydrophobicContact CE1-CB 4.15Å; F58-P60 WeakPolarHBondContact O-CD 3.4Å |
| 61 | N | 51.4 | Low | 49.3 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 51.3 | 177.8 | -82.5 | -18.3 | 0 | 0 | 0 | 112.1 | Y59 G63 | Y59-N61 PolarHBondContact O-N 3.48Å; Y59-N61 VanDerWaalsContact O-N 3.13Å; N61-G63 VanDerWaalsContact C-N 3.33Å; N61-G63 PolarHBondContact O-N 2.96Å |
| 62 | G | 54.6 | Low | 49.3 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 50.7 | 29.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 63 | G | 59.5 | Low | 49.3 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -143.2 | 62.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N61 | N61-G63 VanDerWaalsContact C-N 3.33Å; N61-G63 PolarHBondContact O-N 2.96Å | ||
| 64 | G | 56.8 | Low | 48.7 | Very low | 41 Ų | 41 | 136.4 Ų | 136.4 | 42% | 0.423 | 77% | 0.765 | S | S | . | * | trans | -69.8 | 161.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R66 | G64-R66 PolarHBondContact O-N 3.16Š| ||
| 65 | P | 53.2 | Low | 48.2 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 119.3 | -165.5 | -10.8 | 25.5 | 0 | 0 | 0 | 111.4 | G67 | P65-G67 PolarHBondContact O-N 3.49Š| ||
| 66 | R | 53.2 | Low | 48.3 | Very low | 249 Ų | 249 | 146.5 Ų | 146.5 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | -75.6 | 114.3 | 168.9 | -71.5 | -172.5 | 178.2 | -138.9 | 0.5 | 108.8 | G64 | G64-R66 PolarHBondContact O-N 3.16Š| ||
| 67 | G | 42.3 | Very low | 47.4 | Very low | 63 Ų | 63 | 146.6 Ų | 146.6 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -65.9 | 155.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P65 | P65-G67 PolarHBondContact O-N 3.49Š| ||
| 68 | F | 34.6 | Very low | 46.1 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 95% | 0.952 | 78% | 0.775 | S | S | * | * | trans | -29 | 129.3 | 172.2 | -63 | -95.9 | 0 | 0 | 0 | 115.5 | ||||
| 69 | H | 37.7 | Very low | 45.1 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -126.2 | 94.8 | 161.5 | -158.3 | 35 | 0 | 0 | 0 | 108.5 | ||||
| 70 | D | 38.4 | Very low | 43.9 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -82.4 | 163.2 | 161.3 | -136.8 | -54.8 | 0 | 0 | 0 | 108.5 | ||||
| 71 | D | 40.6 | Very low | 42.9 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | 88.3 | 96.7 | 175.5 | -50.1 | -47.3 | 0 | 0 | 0 | 118.7 | ||||
| 72 | Q | 39.4 | Very low | 42.1 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | 172.6 | 121.7 | 105.9 | -90.6 | 166.6 | 89.5 | 0 | 0 | 113.8 | |||||
| 73 | R | 43.2 | Very low | 42.1 | Very low | 254 Ų | 254 | 144.7 Ų | 144.7 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | trans | -79.3 | 144.7 | 162.4 | -69.1 | 173.8 | -131.8 | -101.9 | -6.6 | 109.7 | ||||
| 74 | G | 33.6 | Very low | 40.9 | Very low | 76 Ų | 76 | 149.1 Ų | 149.1 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 164.4 | 104.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 75 | Y | 39.1 | Very low | 40.3 | Very low | 233 Ų | 233 | 158.2 Ų | 158.2 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -90.6 | 145.7 | 152.4 | -93.7 | -85.9 | 0 | 0 | 0 | 107.9 | ||||
| 76 | P | 46.8 | Very low | 39.8 | Very low | 116 Ų | 116 | 162.7 Ų | 162.7 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | -154.8 | 156.2 | 98.8 | 34.3 | -12.9 | 0 | 0 | 0 | 118.6 | |||||
| 77 | V | 33.5 | Very low | 38.9 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 85.8 | 112.9 | 138.5 | 172 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 78 | E | 34.7 | Very low | 39 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -10.9 | 146.7 | 142 | -129.8 | 104.2 | -161.9 | 0 | 0 | 121 | ||||
| 79 | G | 34.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 155.1 Ų | 155.1 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 163.6 | 80 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 80 | H | 41.8 | Very low | 40.4 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | trans | -35.9 | 166.2 | 173.2 | -58.3 | -82.6 | 0 | 0 | 0 | 124.2 | ||||
| 81 | H | 33.2 | Very low | 40.4 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 101.8 | 133.9 | 148.7 | -51.5 | 96.3 | 0 | 0 | 0 | 117.7 | ||||
| 82 | F | 34.9 | Very low | 40.1 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | cis | -165.4 | -168.7 | 2.2 | -135.6 | -119.4 | 0 | 0 | 0 | 107.5 | ||||
| 83 | P | 53.2 | Low | 40 | Very low | 96 Ų | 96 | 157.1 Ų | 157.1 | 62% | 0.623 | 80% | 0.798 | S | S | * | * | -127 | 176.4 | -129.8 | 24.4 | 4.2 | 0 | 0 | 0 | 114 | |||||
| 84 | E | 34.8 | Very low | 39.6 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 179.4 | 123.5 | 145.6 | -117 | -175.3 | 143.5 | 0 | 0 | 110.9 | ||||
| 85 | R | 43.3 | Very low | 39.5 | Very low | 233 Ų | 233 | 156.9 Ų | 156.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | -162.6 | 107.3 | 128.5 | -80.8 | -119.5 | -174.5 | -70.1 | 1 | 110 | |||||
| 86 | R | 42.5 | Very low | 39.4 | Very low | 217 Ų | 217 | 155.2 Ų | 155.2 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | 7.2 | 119.4 | 151.9 | -76.8 | 169.8 | -168.6 | 164.6 | 6.2 | 117.6 | ||||
| 87 | A | 34.8 | Very low | 39.9 | Very low | 98 Ų | 98 | 155 Ų | 155 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | 97.6 | 107.2 | 68.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 88 | I | 44 | Very low | 39.8 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 169.4 | 170.3 | -41.1 | 172.8 | 0 | 0 | 0 | 108.6 | ||||
| 89 | P | 49.4 | Very low | 39.9 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | -146.2 | 165.8 | 89.7 | 35.2 | -15.9 | 0 | 0 | 0 | 116.3 | |||||
| 90 | P | 52.3 | Low | 40.2 | Very low | 110 Ų | 110 | 161.2 Ų | 161.2 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -107.8 | 174.3 | -170.4 | 38.5 | -26 | 0 | 0 | 0 | 114.4 | ||||
| 91 | A | 38.4 | Very low | 40.3 | Very low | 100 Ų | 100 | 159.9 Ų | 159.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 97.3 | 145.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 92 | R | 35.3 | Very low | 40.4 | Very low | 224 Ų | 224 | 162.3 Ų | 162.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 98.6 | 110.1 | 152.6 | -104.6 | -171.8 | -179 | 127.3 | 0.2 | 121.1 | ||||
| 93 | R | 36.3 | Very low | 40.4 | Very low | 241 Ų | 241 | 161.2 Ų | 161.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | 162.1 | 98.9 | 128.3 | -91.4 | -174.5 | 178.3 | -150.8 | 0.2 | 108.4 | |||||
| 94 | E | 35.5 | Very low | 39.8 | Very low | 154 Ų | 154 | 163.5 Ų | 163.5 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | 52.1 | 112.7 | 81.4 | -72.6 | -178.8 | -165.4 | 0 | 0 | 114.7 | |||||
| 95 | D | 32.5 | Very low | 40.6 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | trans | -165.7 | 113.1 | 130.4 | -82.4 | -32 | 0 | 0 | 0 | 110.9 | ||||
| 96 | F | 37 | Very low | 40.2 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | trans | -102.4 | -170.7 | 169.1 | -84.9 | -83.5 | 0 | 0 | 0 | 108.8 | ||||
| 97 | P | 55.5 | Low | 40.3 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -136 | 170.3 | -17.5 | 27 | -5.1 | 0 | 0 | 0 | 114.8 | ||||
| 98 | Y | 32.4 | Very low | 40.3 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | -162.7 | 129.7 | 128.1 | -150.3 | -122.6 | 0 | 0 | 0 | 115.9 | |||||
| 99 | R | 36.5 | Very low | 40.3 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 67.6 | 105.7 | 155.1 | -94 | -173.9 | -165.5 | 155.6 | 4.7 | 123.3 | ||||
| 100 | V | 40.3 | Very low | 39.6 | Very low | 133 Ų | 133 | 155.3 Ų | 155.3 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -68.6 | 159.5 | 157.3 | -168.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 101 | P | 43.7 | Very low | 39 | Very low | 114 Ų | 114 | 157.8 Ų | 157.8 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -141.7 | 166 | 40.2 | 40.6 | -17.8 | 0 | 0 | 0 | 116.1 | ||||
| 102 | R | 36.7 | Very low | 39.2 | Very low | 215 Ų | 215 | 161.5 Ų | 161.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | 173 | 137.9 | 51.9 | -171.4 | 159.9 | 177.4 | 167.4 | -0.4 | 110.3 | |||||
| 103 | E | 34.1 | Very low | 39.3 | Very low | 162 Ų | 162 | 160.8 Ų | 160.8 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | 67.1 | 103.6 | 155.4 | -56.9 | -95.6 | 152.1 | 0 | 0 | 120.4 | ||||
| 104 | D | 39.5 | Very low | 39.5 | Very low | 145 Ų | 145 | 153 Ų | 153 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | -101.3 | 176.9 | 129.4 | -139 | -8.4 | 0 | 0 | 0 | 104.9 | |||||
| 105 | P | 52.9 | Low | 39.7 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 50% | 0.5 | 80% | 0.798 | S | S | . | * | cis | -144.2 | -176 | -9.7 | 18 | 11.7 | 0 | 0 | 0 | 113.4 | ||||
| 106 | H | 35.3 | Very low | 40.4 | Very low | 177 Ų | 177 | 154 Ų | 154 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | 137.5 | 137.5 | 128.7 | -69 | -51.3 | 0 | 0 | 0 | 118.7 | |||||
| 107 | A | 43.1 | Very low | 40.7 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -56.9 | 155 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 108 | G | 34.6 | Very low | 40.4 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -170.3 | 118 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 109 | R | 44.5 | Very low | 41.7 | Very low | 245 Ų | 245 | 147.4 Ų | 147.4 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 152 | 165.3 | -63.8 | 178.3 | 175.8 | -158.9 | -0.7 | 110.9 | ||||
| 110 | S | 34.3 | Very low | 42.9 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 174 | 152.1 | 150.8 | -85 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 111 | L | 39.8 | Very low | 43.3 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | cis | -172.3 | 153.7 | -12.7 | -168.2 | 73.3 | 0 | 0 | 0 | 103.3 | ||||
| 112 | E | 42.7 | Very low | 43.2 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -51.3 | 142.5 | 178.9 | -63.3 | -179.6 | 141.2 | 0 | 0 | 114.3 | ||||
| 113 | F | 38.3 | Very low | 43.6 | Very low | 208 Ų | 208 | 139 Ų | 139 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | -135.8 | 111.9 | 149.3 | -115.3 | -90.2 | 0 | 0 | 0 | 109.2 | ||||
| 114 | G | 39.8 | Very low | 44.3 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -71.6 | 127 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 115 | A | 40 | Very low | 44.6 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -140.6 | 110.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | V117 | A115-V117 PolarHBondContact O-N 3.14Š| ||
| 116 | R | 47.7 | Very low | 44 | Very low | 256 Ų | 256 | 145.1 Ų | 145.1 | 97% | 0.966 | 82% | 0.818 | S | S | * | * | trans | -62 | 122 | 171.6 | -72.6 | 176 | 173.4 | 166 | -2.4 | 109.5 | ||||
| 117 | V | 42.7 | Very low | 44.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -138.8 | 136.5 | 164.2 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | A115 | A115-V117 PolarHBondContact O-N 3.14Š| ||
| 118 | P | 50.5 | Low | 44.4 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 159.5 | -155.2 | 31.1 | -35.5 | 0 | 0 | 0 | 114 | ||
| 119 | P | 58.7 | Low | 44.7 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144.7 | 174.7 | 29 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 120 | P | 62.3 | Low | 44.9 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 152.3 | 174.2 | 28.7 | -33.8 | 0 | 0 | 0 | 110.9 | S122 | P120-S122 PolarHBondContact O-N 2.92Š|
| 121 | P | 47.4 | Very low | 45.2 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 128.7 | -175.1 | 25.1 | -33.2 | 0 | 0 | 0 | 111.1 | V123 | P121-V123 PolarHBondContact O-N 3.42Š|
| 122 | S | 41.9 | Very low | 45.3 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -53.5 | 102 | 173.8 | 42.1 | 0 | 0 | 0 | 0 | 112 | P120 R124 | P120-S122 PolarHBondContact O-N 2.92Å; S122-R124 VanDerWaalsContact C-N 3.32Å; S122-R124 PolarHBondContact O-N 3.15Å; S122-R124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | V | 44.5 | Very low | 45.4 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -81 | 90.5 | 160 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | P121 | P121-V123 PolarHBondContact O-N 3.42Š| ||
| 124 | R | 49.5 | Very low | 45.5 | Very low | 225 Ų | 225 | 135.2 Ų | 135.2 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | trans | -61.4 | 138.3 | 165.8 | -167.6 | 175.1 | -176.8 | -159.6 | 0.9 | 108.5 | S122 | S122-R124 VanDerWaalsContact C-N 3.32Å; S122-R124 PolarHBondContact O-N 3.15Å; S122-R124 VanDerWaalsContact O-N 3.15Å | ||
| 125 | S | 45.9 | Very low | 45.8 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 77.1 | 79.1 | 170 | 67.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 126 | Q | 40.7 | Very low | 46.1 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -128.7 | 123.4 | 141.5 | -80.1 | -83.9 | -24.6 | 0 | 0 | 105.9 | V128 | Q126-V128 PolarHBondContact O-N 3.46Š| ||
| 127 | G | 43.3 | Very low | 46.1 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -57.9 | 129.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y129 | G127-Y129 PolarHBondContact O-N 3.12Š| ||
| 128 | V | 42.3 | Very low | 46.5 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 90.9 | 164.7 | -178.1 | 0 | 0 | 0 | 0 | 106.2 | Q126 | Q126-V128 PolarHBondContact O-N 3.46Š| ||
| 129 | Y | 41 | Very low | 46.9 | Very low | 210 Ų | 210 | 128 Ų | 128 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -55.3 | 131.5 | 155.1 | -80 | -88.3 | 0 | 0 | 0 | 106 | G127 A131 | G127-Y129 PolarHBondContact O-N 3.12Å; Y129-A131 PolarHBondContact O-N 3.28Å | ||
| 130 | P | 49.3 | Very low | 46.8 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | trans | -54.6 | 125 | 165.8 | 23.9 | -29.7 | 0 | 0 | 0 | 106.1 | A132 | P130-A132 PolarHBondContact O-N 2.87Š| ||
| 131 | A | 41.8 | Very low | 46.9 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | -43.1 | 131.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y129 R133 | Y129-A131 PolarHBondContact O-N 3.28Å; A131-R133 PolarHBondContact O-N 3.44Å | ||
| 132 | A | 40.5 | Very low | 48.4 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -46.7 | 109.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | P130 S134 | P130-A132 PolarHBondContact O-N 2.87Å; A132-S134 PolarHBondContact O-N 2.91Å | ||
| 133 | R | 44.9 | Very low | 50.2 | Low | 238 Ų | 238 | 119.1 Ų | 119.1 | 90% | 0.898 | 66% | 0.664 | S | S | * | * | trans | -52.3 | 121.4 | 170.3 | -81.6 | -177.5 | 159.6 | 134.4 | -3.6 | 103.6 | A131 L135 | A131-R133 PolarHBondContact O-N 3.44Å; R133-L135 VanDerWaalsContact C-N 3.35Å; R133-L135 PolarHBondContact O-N 3.41Å | ||
| 134 | S | 39.9 | Very low | 51.9 | Low | 110 Ų | 110 | 112.9 Ų | 112.9 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -45.4 | 115.3 | 161.7 | 37.2 | 0 | 0 | 0 | 0 | 104.9 | A132 | A132-S134 PolarHBondContact O-N 2.91Š| ||
| 135 | L | 46.5 | Very low | 53.4 | Low | 147 Ų | 147 | 107.7 Ų | 107.7 | 77% | 0.77 | 61% | 0.612 | S | S | * | * | trans | -42.2 | 127.3 | 163.1 | -173.1 | 76 | 0 | 0 | 0 | 104.7 | R133 E137 | R133-L135 VanDerWaalsContact C-N 3.35Å; R133-L135 PolarHBondContact O-N 3.41Å; L135-E137 PolarHBondContact O-N 3.17Å | ||
| 136 | P | 47.4 | Very low | 55 | Low | 81 Ų | 81 | 104.8 Ų | 104.8 | 53% | 0.526 | 60% | 0.595 | S | S | . | * | trans | -51 | 124.7 | 177.3 | 21.3 | -30.4 | 0 | 0 | 0 | 106.3 | S138 G139 | P136-S138 CarbonylContact O-C 3.6Å; P136-S138 VanDerWaalsContact O-C 3.25Å; P136-S138 PolarHBondContact O-N 2.65Å; P136-G139 PolarHBondContact O-N 3.01Å | ||
| 137 | E | 47.8 | Very low | 56.9 | Low | 203 Ų | 203 | 96.7 Ų | 96.7 | 95% | 0.949 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -54.1 | -17.4 | 174.1 | -166.3 | 171.1 | 175.2 | 0 | 0 | 110.7 | L135 G139 | L135-E137 PolarHBondContact O-N 3.17Å; E137-G139 VanDerWaalsContact C-N 3.29Å; E137-G139 PolarHBondContact O-N 3.07Å; E137-G139 VanDerWaalsContact O-N 3.16Å |
| 138 | S | 50.7 | Low | 58.4 | Low | 38 Ų | 38 | 98.1 Ų | 98.1 | 27% | 0.266 | 54% | 0.543 | S | S | . | . | trans | -78.4 | 64.1 | 161 | -166.2 | 0 | 0 | 0 | 0 | 112.2 | P136 E140 | P136-S138 CarbonylContact O-C 3.6Å; P136-S138 VanDerWaalsContact O-C 3.25Å; P136-S138 PolarHBondContact O-N 2.65Å; S138-E140 WeakPolarHBondContact CB-OE1 3.29Å; S138-E140 PolarHBondContact O-N 2.79Å; S138-E140 WeakPolarHBondContact OG-CG 3.31Å; S138-E140 PolarHBondContact OG-OE1 2.9Å | ||
| 139 | G | 58.1 | Low | 60 | Low | 38 Ų | 38 | 95.2 Ų | 95.2 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | trans | -72.3 | 1.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P136 E137 T142 L143 | P136-G139 PolarHBondContact O-N 3.01Å; E137-G139 VanDerWaalsContact C-N 3.29Å; E137-G139 PolarHBondContact O-N 3.07Å; E137-G139 VanDerWaalsContact O-N 3.16Å; G139-T142 VanDerWaalsContact O-CB 3.28Å; G139-T142 WeakPolarHBondContact O-CB 3.27Å; G139-T142 PolarHBondContact O-N 2.85Å; G139-L143 PolarHBondContact O-N 3.41Å | ||
| 140 | E | 57.3 | Low | 61.5 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.6 | -46 | -171.9 | 63.3 | -162.8 | 165.7 | 0 | 0 | 112.9 | S138 T142 L143 Q317 | S138-E140 WeakPolarHBondContact CB-OE1 3.29Å; S138-E140 PolarHBondContact O-N 2.79Å; S138-E140 WeakPolarHBondContact OG-CG 3.31Å; S138-E140 PolarHBondContact OG-OE1 2.9Å; E140-T142 PolarHBondContact O-N 3.37Å; E140-L143 PolarHBondContact O-N 3.39Å; E140-Q317 HydrophobicContact CB-CG 4.48Å |
| 141 | D | 63.6 | Low | 61.9 | Low | 67 Ų | 67 | 89.4 Ų | 89.4 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -31.4 | 170.1 | -69.1 | -16.7 | 0 | 0 | 0 | 110.2 | L143 Q145 Q317 | D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.12Å; D141-Q145 WeakPolarHBondContact O-CB 3.44Å; D141-Q145 PolarHBondContact O-N 3.29Å; D141-Q317 PolarHBondContact OD1-NE2 2.94Å |
| 142 | T | 80.2 | Confident | 63 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -30.7 | -179.8 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | G139 E140 A146 | G139-T142 VanDerWaalsContact O-CB 3.28Å; G139-T142 WeakPolarHBondContact O-CB 3.27Å; G139-T142 PolarHBondContact O-N 2.85Å; E140-T142 PolarHBondContact O-N 3.37Å; T142-A146 WeakPolarHBondContact O-CA 3.39Å; T142-A146 WeakPolarHBondContact O-CB 3.43Å; T142-A146 PolarHBondContact O-N 3.33Å |
| 143 | L | 78.9 | Confident | 63.5 | Low | 53 Ų | 53 | 92.8 Ų | 92.8 | 28% | 0.277 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.9 | -49.7 | 178.8 | -179.8 | 67.2 | 0 | 0 | 0 | 111.9 | G139 E140 D141 Q145 A146 I147 R321 | G139-L143 PolarHBondContact O-N 3.41Å; E140-L143 PolarHBondContact O-N 3.39Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.12Å; L143-Q145 PolarHBondContact O-N 3.35Å; L143-A146 PolarHBondContact O-N 3.37Å; L143-A146 VanDerWaalsContact O-N 3.16Å; L143-I147 HydrophobicContact CD1-CD1 3.86Å; L143-I147 HydrophobicContact CD1-CG1 4.12Å; L143-I147 HydrophobicContact CD2-CD1 4.34Å; L143-I147 HydrophobicContact CG-CD1 3.71Å; L143-I147 HydrophobicContact CG-CG1 4.37Å; L143-I147 WeakPolarHBondContact O-CB 3.31Å; L143-I147 VanDerWaalsContact O-CG1 3.26Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 3.21Å; L143-R321 HydrophobicContact CD2-CB 4.35Å; L143-R321 HydrophobicContact CD2-CG 3.21Å |
| 144 | V | 79.8 | Confident | 64 | Low | 5 Ų | 5 | 89.3 Ų | 89.3 | 3% | 0.03 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | R148 V302 Q317 L320 | V144-R148 WeakPolarHBondContact O-CB 3.43Å; V144-R148 PolarHBondContact O-N 2.86Å; V144-V302 HydrophobicContact CG1-CG1 3.77Å; V144-V302 HydrophobicContact CG2-CG1 4.48Å; V144-Q317 HydrophobicContact CG2-CG 3.8Å; V144-L320 HydrophobicContact CG2-CD2 3.92Å |
| 145 | Q | 80.8 | Confident | 64.4 | Low | 115 Ų | 115 | 91.9 Ų | 91.9 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 175.7 | -168.1 | 167.6 | 33.3 | 0 | 0 | 112.9 | D141 L143 I147 R148 N149 | D141-Q145 WeakPolarHBondContact O-CB 3.44Å; D141-Q145 PolarHBondContact O-N 3.29Å; L143-Q145 PolarHBondContact O-N 3.35Å; Q145-I147 VanDerWaalsContact C-N 3.32Å; Q145-I147 PolarHBondContact O-N 3.3Å; Q145-R148 PolarHBondContact O-N 3.18Å; Q145-N149 WeakPolarHBondContact O-CB 3.14Å; Q145-N149 PolarHBondContact O-N 2.88Å; Q145-N149 PolarHBondContact O-ND2 2.92Å |
| 146 | A | 79.1 | Confident | 64.7 | Low | 47 Ų | 47 | 94.7 Ų | 94.7 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | T142 L143 N149 L150 | T142-A146 WeakPolarHBondContact O-CA 3.39Å; T142-A146 WeakPolarHBondContact O-CB 3.43Å; T142-A146 PolarHBondContact O-N 3.33Å; L143-A146 PolarHBondContact O-N 3.37Å; L143-A146 VanDerWaalsContact O-N 3.16Å; A146-N149 CarbonylContact O-C 3.25Å; A146-N149 WeakPolarHBondContact O-CA 3.13Å; A146-N149 WeakPolarHBondContact O-CB 3.35Å; A146-N149 PolarHBondContact O-N 3.37Å; A146-N149 VanDerWaalsContact O-N 3.09Å; A146-L150 PolarHBondContact O-N 3.24Å; A146-L150 VanDerWaalsContact O-N 3.17Å |
| 147 | I | 81.4 | Confident | 64.4 | Low | 11 Ų | 11 | 95.9 Ų | 95.9 | 6% | 0.056 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 177 | -71.3 | 166.7 | 0 | 0 | 0 | 110.8 | L143 Q145 N149 L150 L320 L324 | L143-I147 HydrophobicContact CD1-CD1 3.86Å; L143-I147 HydrophobicContact CD1-CG1 4.12Å; L143-I147 HydrophobicContact CD2-CD1 4.34Å; L143-I147 HydrophobicContact CG-CD1 3.71Å; L143-I147 HydrophobicContact CG-CG1 4.37Å; L143-I147 WeakPolarHBondContact O-CB 3.31Å; L143-I147 VanDerWaalsContact O-CG1 3.26Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 3.21Å; Q145-I147 VanDerWaalsContact C-N 3.32Å; Q145-I147 PolarHBondContact O-N 3.3Å; I147-N149 PolarHBondContact O-N 3.2Å; I147-N149 VanDerWaalsContact O-N 3.14Å; I147-L150 HydrophobicContact CB-CD1 4.25Å; I147-L150 HydrophobicContact CG1-CD1 4.24Å; I147-L150 HydrophobicContact CG2-CD1 4.28Å; I147-L150 WeakPolarHBondContact O-CB 3.38Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-L150 VanDerWaalsContact O-N 3.14Å; I147-L320 HydrophobicContact CD1-CD1 4.23Å; I147-L320 HydrophobicContact CD1-CD2 3.55Å; I147-L320 HydrophobicContact CD1-CG 3.97Å; I147-L324 HydrophobicContact CD1-CD1 3.4Å; I147-L324 VanDerWaalsContact CD1-CD1 3.4Å; I147-L324 HydrophobicContact CG1-CD1 4.35Å |
| 148 | R | 75.8 | Confident | 64.5 | Low | 93 Ų | 93 | 90.9 Ų | 90.9 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -25 | 174.2 | -172.9 | -177.5 | -76.5 | 174.3 | -2.3 | 112.5 | V144 Q145 K303 | V144-R148 WeakPolarHBondContact O-CB 3.43Å; V144-R148 PolarHBondContact O-N 2.86Å; Q145-R148 PolarHBondContact O-N 3.18Å; R148-K303 HydrophobicContact CG-CD 4.05Å; R148-K303 HydrophobicContact CG-CG 4.28Å |
| 149 | N | 76.2 | Confident | 64.3 | Low | 80 Ų | 80 | 99.1 Ų | 99.1 | 43% | 0.428 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -91.4 | -7.7 | -179.7 | -68.4 | -34 | 0 | 0 | 0 | 114.3 | Q145 A146 I147 D151 R152 | Q145-N149 WeakPolarHBondContact O-CB 3.14Å; Q145-N149 PolarHBondContact O-N 2.88Å; Q145-N149 PolarHBondContact O-ND2 2.92Å; A146-N149 CarbonylContact O-C 3.25Å; A146-N149 WeakPolarHBondContact O-CA 3.13Å; A146-N149 WeakPolarHBondContact O-CB 3.35Å; A146-N149 PolarHBondContact O-N 3.37Å; A146-N149 VanDerWaalsContact O-N 3.09Å; I147-N149 PolarHBondContact O-N 3.2Å; I147-N149 VanDerWaalsContact O-N 3.14Å; N149-D151 VanDerWaalsContact C-N 3.28Å; N149-D151 PolarHBondContact O-N 3.46Å; N149-R152 PolarHBondContact O-N 3.36Å |
| 150 | L | 70.5 | Confident | 64 | Low | 68 Ų | 68 | 106.8 Ų | 106.8 | 36% | 0.356 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -39.4 | 178.8 | -76.9 | 161.3 | 0 | 0 | 0 | 112 | A146 I147 R152 G153 C295 | A146-L150 PolarHBondContact O-N 3.24Å; A146-L150 VanDerWaalsContact O-N 3.17Å; I147-L150 HydrophobicContact CB-CD1 4.25Å; I147-L150 HydrophobicContact CG1-CD1 4.24Å; I147-L150 HydrophobicContact CG2-CD1 4.28Å; I147-L150 WeakPolarHBondContact O-CB 3.38Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-L150 VanDerWaalsContact O-N 3.14Å; L150-R152 PolarHBondContact O-N 3.44Å; L150-G153 PolarHBondContact O-N 2.96Å; L150-G153 VanDerWaalsContact O-N 3.07Å; L150-C295 HydrophobicContact CD1-CB 3.73Å |
| 151 | D | 59.3 | Low | 63.7 | Low | 135 Ų | 135 | 113 Ų | 113 | 72% | 0.722 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.6 | 179.5 | -169 | 35.8 | 0 | 0 | 0 | 114.6 | N149 | N149-D151 VanDerWaalsContact C-N 3.28Å; N149-D151 PolarHBondContact O-N 3.46Å |
| 152 | R | 63.8 | Low | 62.8 | Low | 215 Ų | 215 | 119.6 Ų | 119.6 | 81% | 0.811 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -1.8 | 179 | -73 | -178.1 | 173.1 | 174.6 | -2.4 | 114 | N149 L150 | N149-R152 PolarHBondContact O-N 3.36Å; L150-R152 PolarHBondContact O-N 3.44Å |
| 153 | G | 52.6 | Low | 61.2 | Low | 43 Ų | 43 | 120 Ų | 120 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -96.9 | -20.7 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L150 R156 | L150-G153 PolarHBondContact O-N 2.96Å; L150-G153 VanDerWaalsContact O-N 3.07Å; G153-R156 PolarHBondContact O-N 3.37Å |
| 154 | E | 53.6 | Low | 59.7 | Low | 166 Ų | 166 | 121.9 Ų | 121.9 | 78% | 0.776 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -30.4 | -165.2 | -150.9 | -177 | -169.9 | 0 | 0 | 113.6 | R156 | E154-R156 PolarHBondContact O-N 2.93Š|
| 155 | D | 49.6 | Very low | 58.2 | Low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 1.8 | 175.5 | -81.4 | -48.1 | 0 | 0 | 0 | 114.4 | D157 | D155-D157 PolarHBondContact O-N 2.9Š|
| 156 | R | 52.6 | Low | 56.3 | Low | 206 Ų | 206 | 132.6 Ų | 132.6 | 78% | 0.777 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -91.2 | 90.4 | 172.4 | -82 | -165.9 | 176.4 | -178.1 | 2.3 | 110.3 | G153 E154 | G153-R156 PolarHBondContact O-N 3.37Å; E154-R156 PolarHBondContact O-N 2.93Å |
| 157 | D | 40.2 | Very low | 55.1 | Low | 106 Ų | 106 | 135.7 Ų | 135.7 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | trans | -21.8 | 132.4 | 170.9 | -69.7 | -62.9 | 0 | 0 | 0 | 115.5 | D155 Y159 R160 | D155-D157 PolarHBondContact O-N 2.9Å; D157-Y159 PolarHBondContact O-N 3.13Å; D157-R160 PolarHBondContact O-N 3.05Å | ||
| 158 | P | 50.7 | Low | 53.5 | Low | 99 Ų | 99 | 141.1 Ų | 141.1 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -11.4 | 174.3 | 24.3 | -31.8 | 0 | 0 | 0 | 113.7 | ||
| 159 | Y | 46.8 | Very low | 52 | Low | 210 Ų | 210 | 144.4 Ų | 144.4 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -18.8 | 175.5 | -72.5 | -84.1 | 0 | 0 | 0 | 114.6 | D157 R161 | D157-Y159 PolarHBondContact O-N 3.13Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; Y159-R161 PolarHBondContact O-N 3.28Å |
| 160 | R | 51.7 | Low | 50.9 | Low | 200 Ų | 200 | 151.5 Ų | 151.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -78.1 | -11.2 | 178.7 | -89.3 | -101.2 | -172.2 | 149 | 1.9 | 113.6 | D157 K162 A163 | D157-R160 PolarHBondContact O-N 3.05Å; R160-K162 PolarHBondContact O-N 3.09Å; R160-K162 VanDerWaalsContact O-N 3.16Å; R160-A163 PolarHBondContact O-N 2.91Å |
| 161 | R | 50.1 | Low | 49.6 | Very low | 213 Ų | 213 | 156.3 Ų | 156.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -74.9 | 1 | -175.5 | -137.8 | -179.1 | -66.2 | 155 | -1.1 | 114.7 | Y159 | Y159-R161 VanDerWaalsContact C-N 3.29Å; Y159-R161 PolarHBondContact O-N 3.28Å |
| 162 | K | 45.4 | Very low | 48.8 | Very low | 206 Ų | 206 | 161.7 Ų | 161.7 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -88.7 | -0.4 | 171.3 | -76.8 | -96 | -174.2 | 176.1 | 0 | 114.4 | R160 | R160-K162 PolarHBondContact O-N 3.09Å; R160-K162 VanDerWaalsContact O-N 3.16Å |
| 163 | A | 46.7 | Very low | 47.6 | Very low | 87 Ų | 87 | 156.1 Ų | 156.1 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -125.3 | 71.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R160 | R160-A163 PolarHBondContact O-N 2.91Š| ||
| 164 | A | 46.8 | Very low | 47.4 | Very low | 91 Ų | 91 | 160.2 Ų | 160.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -152 | 57.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 165 | L | 49 | Very low | 46.9 | Very low | 158 Ų | 158 | 158.9 Ų | 158.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -110 | -1.2 | 164.5 | -75.9 | 174.9 | 0 | 0 | 0 | 113.4 | ||
| 166 | F | 40.9 | Very low | 46.6 | Very low | 187 Ų | 187 | 161.7 Ų | 161.7 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -146.1 | 132.7 | 176.3 | -68 | -80.1 | 0 | 0 | 0 | 111.7 | ||
| 167 | P | 53 | Low | 46.4 | Very low | 112 Ų | 112 | 163.6 Ų | 163.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 147.3 | 164.7 | 26.8 | -30.3 | 0 | 0 | 0 | 109.5 | L169 | P167-L169 PolarHBondContact O-N 3.03Š| ||
| 168 | P | 48.9 | Very low | 46.2 | Very low | 125 Ų | 125 | 166.5 Ų | 166.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -59 | 125.5 | 179.4 | 24.7 | -32.2 | 0 | 0 | 0 | 109.1 | R170 | P168-R170 PolarHBondContact O-N 3.49Š| ||
| 169 | L | 44.3 | Very low | 45.5 | Very low | 163 Ų | 163 | 168.4 Ų | 168.4 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -55.8 | 103.2 | 177.9 | -154.6 | 97.1 | 0 | 0 | 0 | 108 | P167 E171 | P167-L169 PolarHBondContact O-N 3.03Å; L169-E171 PolarHBondContact O-N 2.99Å | ||
| 170 | R | 52.3 | Low | 45.3 | Very low | 229 Ų | 229 | 162.6 Ų | 162.6 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -65.7 | 101.3 | 173 | -166.9 | 171.7 | -173 | 109.2 | -2 | 106.5 | P168 R172 | P168-R170 PolarHBondContact O-N 3.49Å; R170-R172 PolarHBondContact O-N 3.24Å | ||
| 171 | E | 43.2 | Very low | 44.8 | Very low | 169 Ų | 169 | 165.1 Ų | 165.1 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 132.8 | 173.9 | -75.4 | -173.8 | 158.6 | 0 | 0 | 109.5 | L169 S173 | L169-E171 PolarHBondContact O-N 2.99Å; E171-S173 PolarHBondContact O-N 2.91Å |
| 172 | R | 42.3 | Very low | 44.3 | Very low | 247 Ų | 247 | 160.6 Ų | 160.6 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -49 | 123.3 | -175.3 | -69.9 | -179.4 | 163.5 | 111.5 | -3.2 | 111.1 | R170 | R170-R172 PolarHBondContact O-N 3.24Š|
| 173 | S | 38.4 | Very low | 44.5 | Very low | 99 Ų | 99 | 156.3 Ų | 156.3 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 147.5 | 160.4 | -46.8 | 0 | 0 | 0 | 0 | 109.7 | E171 | E171-S173 PolarHBondContact O-N 2.91Š|
| 174 | P | 48.5 | Very low | 44.2 | Very low | 128 Ų | 128 | 160.9 Ų | 160.9 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79 | 147.5 | -150.3 | 30.7 | -35.8 | 0 | 0 | 0 | 114.6 | ||
| 175 | V | 43.5 | Very low | 44.1 | Very low | 139 Ų | 139 | 161.2 Ų | 161.2 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71 | 136.1 | 173.4 | 150.8 | 0 | 0 | 0 | 0 | 111.2 | R177 | V175-R177 PolarHBondContact O-N 2.88Š|
| 176 | R | 43.3 | Very low | 44 | Very low | 222 Ų | 222 | 165.1 Ų | 165.1 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -48 | 124.2 | 172.1 | -59.1 | 168.8 | 76.2 | 135 | 0.6 | 111.7 | ||
| 177 | R | 47.5 | Very low | 43.9 | Very low | 246 Ų | 246 | 162.3 Ų | 162.3 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | trans | -131.8 | 116 | 151.1 | -92.1 | -173.9 | 178.6 | 123.7 | -0.8 | 108.5 | V175 | V175-R177 PolarHBondContact O-N 2.88Š| ||
| 178 | E | 36.2 | Very low | 43.4 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 78% | 0.78 | 83% | 0.828 | S | S | * | * | trans | -75.2 | 163.8 | 160.8 | -72.9 | -167.4 | -173.3 | 0 | 0 | 110.3 | ||||
| 179 | V | 37.5 | Very low | 43.1 | Very low | 139 Ų | 139 | 159.8 Ų | 159.8 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | 102.1 | 91.6 | 171.6 | -166.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 180 | A | 42.6 | Very low | 43.1 | Very low | 88 Ų | 88 | 158.1 Ų | 158.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | 62.7 | 100.7 | 137 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 181 | R | 39.8 | Very low | 42.7 | Very low | 252 Ų | 252 | 153.9 Ų | 153.9 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | -175.8 | 110.1 | 112.2 | -98.2 | 174.2 | -178.1 | 165.7 | 1.5 | 110.3 | |||||
| 182 | S | 40.5 | Very low | 42.5 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -71.6 | 161.7 | 148.6 | -98.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 183 | P | 50.1 | Low | 42.7 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -140.5 | 157.6 | 26.3 | 39.2 | -20.7 | 0 | 0 | 0 | 115.8 | ||||
| 184 | H | 39.7 | Very low | 42.9 | Very low | 183 Ų | 183 | 151 Ų | 151 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | -178.5 | 127.5 | 124.8 | -149.7 | 68.2 | 0 | 0 | 0 | 112 | |||||
| 185 | S | 45.3 | Very low | 42.7 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | -73 | 152.3 | -174.7 | -49.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 186 | R | 47.2 | Very low | 42.5 | Very low | 240 Ų | 240 | 152.3 Ų | 152.3 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | 175 | 90.7 | 144.1 | -99.8 | 165.5 | 143.8 | -136.1 | -12.2 | 108.6 | ||||
| 187 | S | 38.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | 56.4 | 98.3 | 75.4 | -141.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 188 | G | 41.1 | Very low | 42.9 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | 124.9 | 151.3 | 90.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 189 | S | 43.1 | Very low | 42.9 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | cis | -160.1 | 148.3 | 20.5 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 190 | S | 44.8 | Very low | 43 | Very low | 127 Ų | 127 | 144 Ų | 144 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -80.6 | 136.8 | 156.4 | -53.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 191 | V | 44.4 | Very low | 43 | Very low | 141 Ų | 141 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -122.7 | 117 | 167.2 | -130.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 192 | S | 39 | Very low | 43.3 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -98.9 | 146 | -179 | 169.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 193 | S | 45.7 | Very low | 43 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 40.9 | 104.6 | 145 | -39.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 194 | R | 43.7 | Very low | 42.6 | Very low | 250 Ų | 250 | 142.2 Ų | 142.2 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | -139.1 | 109.8 | 147.3 | -73.2 | -171 | 174.6 | 133.5 | -0.9 | 109.8 | ||||
| 195 | G | 44.4 | Very low | 43 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -68.2 | 151.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 196 | Y | 39.3 | Very low | 42.5 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -139.4 | 107.8 | 161.1 | -137.8 | -94.6 | 0 | 0 | 0 | 108.7 | ||||
| 197 | S | 46.3 | Very low | 42 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -88.4 | 139.1 | 160.5 | -61.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 198 | P | 51.8 | Low | 41.8 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -130.5 | 116.6 | 148.7 | 32.3 | -17 | 0 | 0 | 0 | 109.6 | ||||
| 199 | D | 35.6 | Very low | 42.2 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -139.2 | 137.3 | 159.6 | -123.8 | -32.4 | 0 | 0 | 0 | 111.2 | ||||
| 200 | R | 40.1 | Very low | 41.9 | Very low | 203 Ų | 203 | 145.3 Ų | 145.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | 83.7 | 104.7 | 155.6 | -150.8 | 178.5 | -157.8 | -165.8 | 3.9 | 120.2 | ||||
| 201 | A | 42.3 | Very low | 41.5 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 171.6 | 107 | 115.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 202 | K | 45.6 | Very low | 41.1 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | 78.4 | 132 | 83.9 | -75.3 | 178.6 | -176.5 | -171.7 | 0 | 112.9 | |||||
| 203 | N | 36.1 | Very low | 40.6 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -170.8 | 149.1 | 5.8 | -78.2 | -38.5 | 0 | 0 | 0 | 109.6 | ||||
| 204 | L | 41.8 | Very low | 39.8 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | 174.2 | 155.1 | 132.6 | -95 | 149.8 | 0 | 0 | 0 | 110 | ||||
| 205 | P | 47.3 | Very low | 39.1 | Very low | 92 Ų | 92 | 152.3 Ų | 152.3 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | -133.4 | 168.1 | -111.9 | 43.2 | -26.5 | 0 | 0 | 0 | 116.1 | |||||
| 206 | F | 35.5 | Very low | 38.6 | Very low | 200 Ų | 200 | 156.4 Ų | 156.4 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | 63.9 | 135.4 | 168.8 | -68 | -83.7 | 0 | 0 | 0 | 116.4 | ||||
| 207 | S | 35.8 | Very low | 38.3 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -146.8 | 168.4 | 39.1 | -173.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 208 | T | 34.8 | Very low | 37.6 | Very low | 105 Ų | 105 | 157.6 Ų | 157.6 | 64% | 0.644 | 79% | 0.789 | S | S | * | * | trans | -65 | 141 | -165 | 51.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 209 | Q | 48.2 | Very low | 36.7 | Very low | 190 Ų | 190 | 158.9 Ų | 158.9 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | 174.3 | 131.2 | 106.5 | -93 | -178.9 | 3 | 0 | 0 | 111.9 | |||||
| 210 | Q | 37.8 | Very low | 36.5 | Very low | 201 Ų | 201 | 160.2 Ų | 160.2 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -93.3 | 157.1 | 171.5 | -57.1 | 174.8 | -10.4 | 0 | 0 | 108 | ||||
| 211 | G | 36.5 | Very low | 36.4 | Very low | 68 Ų | 68 | 155.8 Ų | 155.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | 168.8 | 159.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 212 | K | 36.7 | Very low | 36.2 | Very low | 207 Ų | 207 | 161.1 Ų | 161.1 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | 78.1 | 114.4 | 147.3 | -58.1 | -176.8 | -177.9 | 178.5 | 0 | 122.6 | ||||
| 213 | R | 27.4 | Very low | 35.8 | Very low | 229 Ų | 229 | 162.4 Ų | 162.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | 97.6 | 146 | 120.9 | -95.6 | -110.2 | -173.9 | -143.8 | 1.4 | 121.1 | |||||
| 214 | Y | 28.7 | Very low | 35.8 | Very low | 210 Ų | 210 | 163.2 Ų | 163.2 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | 70.6 | 140.2 | 168.2 | 97.3 | -86.3 | 0 | 0 | 0 | 117.1 | ||||
| 215 | E | 30.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 161.4 Ų | 161.4 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | cis | -166.8 | 179.3 | 2 | -153 | -175.4 | -172.2 | 0 | 0 | 109 | ||||
| 216 | E | 33.6 | Very low | 34.8 | Very low | 161 Ų | 161 | 166.5 Ų | 166.5 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | 80.7 | 101.4 | 154.8 | -76.7 | 178.1 | 158.8 | 0 | 0 | 120.9 | Y218 | E216-Y218 PolarHBondContact O-N 3.07Š| ||
| 217 | T | 31.8 | Very low | 35.2 | Very low | 149 Ų | 149 | 164.8 Ų | 164.8 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -53 | 112.8 | 156.5 | 32 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 218 | Y | 31.4 | Very low | 35.7 | Very low | 217 Ų | 217 | 165.4 Ų | 165.4 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -107.1 | 116.7 | 162.1 | -127.5 | -98.5 | 0 | 0 | 0 | 107.6 | E216 | E216-Y218 PolarHBondContact O-N 3.07Š| ||
| 219 | T | 32.8 | Very low | 35.6 | Very low | 135 Ų | 135 | 163.6 Ų | 163.6 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | 171.7 | 84.1 | 141 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 220 | E | 31.4 | Very low | 35 | Very low | 195 Ų | 195 | 162.7 Ų | 162.7 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -95.4 | 109.9 | 153.2 | -177.3 | 173.1 | -169.8 | 0 | 0 | 106.9 | ||||
| 221 | S | 38 | Very low | 35.2 | Very low | 109 Ų | 109 | 158.7 Ų | 158.7 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -160.4 | 80.7 | 177.1 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 222 | K | 38.3 | Very low | 35.3 | Very low | 200 Ų | 200 | 167 Ų | 167 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | 178.9 | 94.3 | 144.9 | -118.4 | -177.5 | 175.8 | -179.7 | 0 | 110 | ||||
| 223 | I | 36.9 | Very low | 35.4 | Very low | 172 Ų | 172 | 165.8 Ų | 165.8 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | -158.6 | 89.7 | 129.7 | -50.6 | -171.7 | 0 | 0 | 0 | 107.1 | |||||
| 224 | I | 36.2 | Very low | 35.5 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -126.4 | 117.1 | 154.5 | -64.5 | 176.1 | 0 | 0 | 0 | 104.3 | ||||
| 225 | D | 34.6 | Very low | 35.8 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | trans | 169.6 | 101.8 | 136.5 | -86.5 | -24.6 | 0 | 0 | 0 | 110 | ||||
| 226 | K | 35.2 | Very low | 37 | Very low | 200 Ų | 200 | 151.5 Ų | 151.5 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | 155.9 | 109.4 | 121.1 | -80.1 | 146.7 | -167.1 | -172.1 | 0 | 111.3 | |||||
| 227 | I | 43.3 | Very low | 36.9 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | trans | -108.7 | -178.6 | 158.6 | -33 | 179.4 | 0 | 0 | 0 | 107.2 | ||||
| 228 | P | 46.7 | Very low | 37.2 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | -122.6 | 178.7 | -94.7 | 38.2 | -21.2 | 0 | 0 | 0 | 114 | |||||
| 229 | G | 31 | Very low | 37.3 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | 149.6 | 150.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 230 | L | 37.5 | Very low | 37.8 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | 93.2 | 84.5 | 176 | -47.1 | -176.5 | 0 | 0 | 0 | 113.7 | ||||
| 231 | S | 41.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | 62.3 | 104 | 72.2 | -159.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 232 | R | 38.7 | Very low | 38 | Very low | 241 Ų | 241 | 144.1 Ų | 144.1 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -164.1 | 109.4 | 136.3 | -163.9 | 161.2 | -178.7 | 174.7 | -1.2 | 111.2 | ||||
| 233 | E | 37.7 | Very low | 37.9 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -55.2 | 151.8 | 164.4 | -66.4 | -70.9 | 161.9 | 0 | 0 | 112.5 | ||||
| 234 | G | 30 | Very low | 37.8 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 164.6 | 71.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 235 | S | 34.7 | Very low | 37.5 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 82.2 | 132.7 | 135.5 | -153.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 236 | P | 55 | Low | 37.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -97.5 | 154 | 173.9 | 38.3 | -30.8 | 0 | 0 | 0 | 112.1 | ||||
| 237 | Q | 32.5 | Very low | 37 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -147.3 | 122.9 | 155.7 | -73.4 | -151.2 | -6.5 | 0 | 0 | 112.7 | ||||
| 238 | S | 37 | Very low | 37.5 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -68.5 | 148.6 | 160 | -33.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | A | 34.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -177.6 | 137.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 240 | T | 44.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -60 | 150 | 170 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 241 | S | 33 | Very low | 37.5 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -145.5 | 122.3 | 161.8 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 242 | N | 39.2 | Very low | 37.2 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -125.4 | 128.8 | -179.2 | 41.9 | -45.6 | 0 | 0 | 0 | 107.4 | ||||
| 243 | K | 37.1 | Very low | 37.1 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -173.9 | 105 | 163.9 | -163 | 159.5 | -175.1 | 175.8 | 0 | 108.6 | ||||
| 244 | E | 34.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | 93 | 146 | 81.2 | -165 | -176.6 | 154.8 | 0 | 0 | 112.8 | |||||
| 245 | E | 30.3 | Very low | 37.3 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | 80.8 | 112.7 | 168.3 | -107.4 | 165 | 114.3 | 0 | 0 | 116.5 | ||||
| 246 | S | 26.6 | Very low | 38.1 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -158.8 | 147.7 | 53 | 59 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 247 | N | 32.5 | Very low | 37.2 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -134.8 | 174.8 | 160.4 | -141.2 | 9.5 | 0 | 0 | 0 | 107 | ||||
| 248 | P | 54.3 | Low | 37.7 | Very low | 93 Ų | 93 | 140 Ų | 140 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | cis | -140.5 | -157.7 | 6.1 | 45.3 | -22.4 | 0 | 0 | 0 | 113.2 | ||||
| 249 | P | 45.4 | Very low | 37.6 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -132.2 | 135.4 | 55.8 | 19.9 | 5.3 | 0 | 0 | 0 | 115.2 | |||||
| 250 | E | 34.5 | Very low | 38.4 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 65.6 | 109.6 | 99 | -82.8 | -174.9 | 167.9 | 0 | 0 | 117.6 | |||||
| 251 | A | 34.1 | Very low | 38.6 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | trans | -165.3 | 134.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 252 | E | 35.5 | Very low | 39.3 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -92.7 | 148.6 | -158.7 | -54.7 | 158.5 | 179 | 0 | 0 | 113.4 | ||||
| 253 | K | 37.5 | Very low | 39.7 | Very low | 168 Ų | 168 | 141 Ų | 141 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | 154 | 135.4 | 114.2 | -91 | -174.8 | 176.4 | -174.8 | 0 | 115.3 | |||||
| 254 | E | 33.2 | Very low | 40.3 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 74.8 | 100.7 | 145.1 | -71.4 | 174.4 | 172.1 | 0 | 0 | 120.2 | ||||
| 255 | E | 38.3 | Very low | 41.2 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -76.6 | 168.3 | 142.7 | -90 | -168.6 | -174 | 0 | 0 | 110.3 | ||||
| 256 | P | 52 | Low | 42.4 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | -137 | 171.2 | 18.2 | 31.5 | -9.3 | 0 | 0 | 0 | 115.1 | ||||
| 257 | I | 35.2 | Very low | 44 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | 157.2 | 108.3 | 138.7 | -76.6 | 152.8 | 0 | 0 | 0 | 111.1 | ||||
| 258 | V | 43.8 | Very low | 45.4 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | trans | 44.7 | 105.6 | 140.8 | -168.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 259 | T | 35.2 | Very low | 46.1 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | 175 | 118.3 | 123.6 | 31.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 260 | P | 49.6 | Very low | 47.5 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | trans | -126.7 | 94.5 | 152.2 | 34.2 | -19.4 | 0 | 0 | 0 | 109.6 | ||||
| 261 | V | 49 | Very low | 49.9 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | -135.6 | 10.4 | 170.8 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 262 | T | 47.6 | Very low | 52.4 | Low | 109 Ų | 109 | 124.4 Ų | 124.4 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -120.4 | 0.2 | -172.8 | 51.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 263 | E | 48.5 | Very low | 54.9 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -90 | -31.6 | 175.7 | -78.1 | -146.6 | 143 | 0 | 0 | 114.4 | S265 | E263-S265 PolarHBondContact O-N 3.14Š|
| 264 | D | 48.7 | Very low | 57.6 | Low | 127 Ų | 127 | 121 Ų | 121 | 68% | 0.679 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.1 | -29.7 | -174.5 | -65 | -49.6 | 0 | 0 | 0 | 113.3 | K266 S268 | D264-K266 PolarHBondContact O-N 3.05Å; D264-S268 PolarHBondContact O-N 3.17Å; D264-S268 PolarHBondContact O-OG 3.09Å |
| 265 | S | 52.5 | Low | 60.4 | Low | 81 Ų | 81 | 120.5 Ų | 120.5 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.6 | -30 | -177.2 | -145.1 | 0 | 0 | 0 | 0 | 112.9 | E263 S268 T269 | E263-S265 PolarHBondContact O-N 3.14Å; S265-S268 PolarHBondContact O-OG 3.06Å; S265-T269 WeakPolarHBondContact O-CG2 3.21Å; S265-T269 PolarHBondContact O-N 3.33Å; S265-T269 PolarHBondContact O-OG1 3.49Å |
| 266 | K | 56.6 | Low | 63.1 | Low | 139 Ų | 139 | 115.6 Ų | 115.6 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.3 | -39.6 | 177.6 | -68.6 | 176.7 | -176.7 | 169.7 | 0 | 112.2 | D264 S268 T269 E270 | D264-K266 PolarHBondContact O-N 3.05Å; K266-S268 PolarHBondContact O-N 3.14Å; K266-T269 PolarHBondContact O-N 2.97Å; K266-T269 PolarHBondContact O-OG1 2.83Å; K266-E270 WeakPolarHBondContact O-CB 3.42Å; K266-E270 VanDerWaalsContact O-CG 3.24Å; K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 3.16Å |
| 267 | K | 59.7 | Low | 65.2 | Low | 144 Ų | 144 | 114.2 Ų | 114.2 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.4 | -37.1 | 176 | -88.3 | 176.6 | 178.5 | 166.7 | 0 | 112.7 | N271 | K267-N271 WeakPolarHBondContact O-CB 3.26Å; K267-N271 PolarHBondContact O-N 2.73Å |
| 268 | S | 62.8 | Low | 68 | Low | 62 Ų | 62 | 113.8 Ų | 113.8 | 43% | 0.434 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.5 | -37.7 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | D264 S265 K266 L272 | D264-S268 PolarHBondContact O-N 3.17Å; D264-S268 PolarHBondContact O-OG 3.09Å; S265-S268 PolarHBondContact O-OG 3.06Å; K266-S268 PolarHBondContact O-N 3.14Å; S268-L272 PolarHBondContact O-N 3.31Å |
| 269 | T | 68.6 | Low | 70.6 | Confident | 80 Ų | 80 | 109.5 Ų | 109.5 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.1 | -41.2 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | S265 K266 N271 L272 E273 | S265-T269 WeakPolarHBondContact O-CG2 3.21Å; S265-T269 PolarHBondContact O-N 3.33Å; S265-T269 PolarHBondContact O-OG1 3.49Å; K266-T269 PolarHBondContact O-N 2.97Å; K266-T269 PolarHBondContact O-OG1 2.83Å; T269-N271 VanDerWaalsContact C-N 3.32Å; T269-N271 PolarHBondContact O-N 2.95Å; T269-L272 PolarHBondContact O-N 3.4Å; T269-E273 PolarHBondContact O-N 3.34Å |
| 270 | E | 75.1 | Confident | 73.6 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 175.5 | -74.1 | 171.4 | -178.1 | 0 | 0 | 111.6 | K266 E273 E274 | K266-E270 WeakPolarHBondContact O-CB 3.42Å; K266-E270 VanDerWaalsContact O-CG 3.24Å; K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 3.16Å; E270-E273 PolarHBondContact O-N 2.96Å; E270-E274 VanDerWaalsContact O-CB 3.27Å; E270-E274 WeakPolarHBondContact O-CB 3.26Å; E270-E274 PolarHBondContact O-N 2.89Å |
| 271 | N | 84.5 | Confident | 75.9 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.5 | -163.1 | -47.3 | 0 | 0 | 0 | 112.6 | K267 T269 R275 | K267-N271 WeakPolarHBondContact O-CB 3.26Å; K267-N271 PolarHBondContact O-N 2.73Å; T269-N271 VanDerWaalsContact C-N 3.32Å; T269-N271 PolarHBondContact O-N 2.95Å; N271-R275 WeakPolarHBondContact O-CB 3.36Å; N271-R275 VanDerWaalsContact O-CG 3.23Å; N271-R275 WeakPolarHBondContact O-CG 3.46Å; N271-R275 PolarHBondContact O-N 3.03Å; N271-R275 PolarHBondContact OD1-NE 3.34Å; N271-R275 PolarHBondContact OD1-NH2 2.75Å |
| 272 | L | 86.7 | Confident | 78.2 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 174.7 | -77.7 | 169.3 | 0 | 0 | 0 | 111.9 | S268 T269 E274 R275 R276 | S268-L272 PolarHBondContact O-N 3.31Å; T269-L272 PolarHBondContact O-N 3.4Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-R275 PolarHBondContact O-N 3.22Å; L272-R276 WeakPolarHBondContact O-CB 3.31Å; L272-R276 PolarHBondContact O-N 3.47Å |
| 273 | E | 88.9 | Confident | 80.7 | Confident | 126 Ų | 126 | 95.9 Ų | 95.9 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -38.3 | 175.7 | -170.2 | 168 | -172.8 | 0 | 0 | 111.5 | T269 E270 R276 T277 | T269-E273 PolarHBondContact O-N 3.34Å; E270-E273 PolarHBondContact O-N 2.96Å; E273-R276 PolarHBondContact O-N 2.93Å; E273-T277 WeakPolarHBondContact O-CB 3.48Å; E273-T277 VanDerWaalsContact O-CG2 3.27Å; E273-T277 WeakPolarHBondContact O-CG2 3.45Å; E273-T277 PolarHBondContact O-N 3.2Å; E273-T277 PolarHBondContact O-OG1 3.04Å |
| 274 | E | 92.6 | Very high | 83 | Confident | 132 Ų | 132 | 90.1 Ų | 90.1 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 173 | -171.5 | 174.1 | -161.9 | 0 | 0 | 111.8 | E270 L272 R276 T277 M278 | E270-E274 VanDerWaalsContact O-CB 3.27Å; E270-E274 WeakPolarHBondContact O-CB 3.26Å; E270-E274 PolarHBondContact O-N 2.89Å; L272-E274 VanDerWaalsContact C-N 3.33Å; E274-R276 VanDerWaalsContact C-N 3.34Å; E274-R276 PolarHBondContact O-N 3.38Å; E274-T277 WeakPolarHBondContact CA-OG1 3.37Å; E274-T277 PolarHBondContact O-N 3.36Å; E274-T277 PolarHBondContact O-OG1 2.94Å; E274-M278 VanDerWaalsContact O-CB 3.26Å; E274-M278 WeakPolarHBondContact O-CB 3.4Å; E274-M278 PolarHBondContact O-N 2.91Å |
| 275 | R | 92.2 | Very high | 85.4 | Confident | 163 Ų | 163 | 90.4 Ų | 90.4 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 174.7 | -73.9 | 173.3 | -166.8 | -165.4 | 1.2 | 112 | N271 L272 M278 A279 | N271-R275 WeakPolarHBondContact O-CB 3.36Å; N271-R275 VanDerWaalsContact O-CG 3.23Å; N271-R275 WeakPolarHBondContact O-CG 3.46Å; N271-R275 PolarHBondContact O-N 3.03Å; N271-R275 PolarHBondContact OD1-NE 3.34Å; N271-R275 PolarHBondContact OD1-NH2 2.75Å; L272-R275 PolarHBondContact O-N 3.22Å; R275-M278 PolarHBondContact O-N 3.26Å; R275-A279 WeakPolarHBondContact O-CB 3.5Å; R275-A279 PolarHBondContact O-N 3.39Å |
| 276 | R | 95.2 | Very high | 87.6 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 30% | 0.302 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -52 | 176.6 | 179.8 | -173.3 | -177.4 | -93.1 | 0.7 | 111.2 | L272 E273 E274 M278 A279 I280 D343 | L272-R276 WeakPolarHBondContact O-CB 3.31Å; L272-R276 PolarHBondContact O-N 3.47Å; E273-R276 PolarHBondContact O-N 2.93Å; E274-R276 VanDerWaalsContact C-N 3.34Å; E274-R276 PolarHBondContact O-N 3.38Å; R276-M278 VanDerWaalsContact C-N 3.3Å; R276-M278 PolarHBondContact O-N 3.25Å; R276-A279 PolarHBondContact O-N 3.13Å; R276-I280 HydrophobicContact CG-CD1 3.82Å; R276-I280 VanDerWaalsContact O-CG1 3.27Å; R276-I280 WeakPolarHBondContact O-CG1 3.48Å; R276-I280 PolarHBondContact O-N 3.28Å; R276-D343 IonicContact CZ-OD1 3.24Å; R276-D343 VanDerWaalsContact CZ-OD1 3.24Å; R276-D343 IonicContact CZ-OD2 3.93Å; R276-D343 IonicContact NE-OD1 2.66Å; R276-D343 PolarHBondContact NE-OD1 3.03Å; R276-D343 IonicContact NH2-OD1 2.96Å; R276-D343 PolarHBondContact NH2-OD1 3.15Å; R276-D343 IonicContact NH2-OD2 2.94Å; R276-D343 PolarHBondContact NH2-OD2 3.02Å |
| 277 | T | 95.4 | Very high | 89.6 | Confident | 71 Ų | 71 | 86 Ų | 86 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 179.7 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | E273 E274 A281 | E273-T277 WeakPolarHBondContact O-CB 3.48Å; E273-T277 VanDerWaalsContact O-CG2 3.27Å; E273-T277 WeakPolarHBondContact O-CG2 3.45Å; E273-T277 PolarHBondContact O-N 3.2Å; E273-T277 PolarHBondContact O-OG1 3.04Å; E274-T277 WeakPolarHBondContact CA-OG1 3.37Å; E274-T277 PolarHBondContact O-N 3.36Å; E274-T277 PolarHBondContact O-OG1 2.94Å; T277-A281 VanDerWaalsContact O-CB 3.25Å; T277-A281 WeakPolarHBondContact O-CB 3.46Å; T277-A281 PolarHBondContact O-N 3.1Å |
| 278 | M | 96 | Very high | 91.4 | Very high | 145 Ų | 145 | 83.7 Ų | 83.7 | 71% | 0.714 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 175 | -172.6 | 178.6 | 179.9 | 0 | 0 | 112.1 | E274 R275 R276 A281 A282 | E274-M278 VanDerWaalsContact O-CB 3.26Å; E274-M278 WeakPolarHBondContact O-CB 3.4Å; E274-M278 PolarHBondContact O-N 2.91Å; R275-M278 PolarHBondContact O-N 3.26Å; R276-M278 VanDerWaalsContact C-N 3.3Å; R276-M278 PolarHBondContact O-N 3.25Å; M278-A281 PolarHBondContact O-N 3.01Å; M278-A282 WeakPolarHBondContact O-CB 3.19Å; M278-A282 PolarHBondContact O-N 3.05Å |
| 279 | A | 97.1 | Very high | 93 | Very high | 33 Ų | 33 | 87.7 Ų | 87.7 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R275 R276 A281 A282 K283 F338 L342 | R275-A279 WeakPolarHBondContact O-CB 3.5Å; R275-A279 PolarHBondContact O-N 3.39Å; R276-A279 PolarHBondContact O-N 3.13Å; A279-A281 PolarHBondContact O-N 3.15Å; A279-A282 PolarHBondContact O-N 3.29Å; A279-K283 PolarHBondContact O-N 3Å; A279-F338 HydrophobicContact CB-CE1 4.47Å; A279-F338 HydrophobicContact CB-CZ 4.36Å; A279-L342 HydrophobicContact CB-CD1 3.84Å |
| 280 | I | 97.8 | Very high | 94.4 | Very high | 30 Ų | 30 | 87.3 Ų | 87.3 | 15% | 0.154 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.1 | -64.6 | 169.9 | 0 | 0 | 0 | 110.4 | R276 A282 K283 A284 L335 I339 L342 | R276-I280 HydrophobicContact CG-CD1 3.82Å; R276-I280 VanDerWaalsContact O-CG1 3.27Å; R276-I280 WeakPolarHBondContact O-CG1 3.48Å; R276-I280 PolarHBondContact O-N 3.28Å; I280-A282 VanDerWaalsContact C-N 3.34Å; I280-A282 PolarHBondContact O-N 2.97Å; I280-K283 PolarHBondContact O-N 3.13Å; I280-A284 VanDerWaalsContact O-CB 3.27Å; I280-A284 WeakPolarHBondContact O-CB 3.48Å; I280-A284 PolarHBondContact O-N 3.32Å; I280-L335 HydrophobicContact CG2-CD1 4.41Å; I280-I339 HydrophobicContact CD1-CG1 3.91Å; I280-I339 HydrophobicContact CD1-CG2 4.41Å; I280-I339 HydrophobicContact CG1-CG1 3.91Å; I280-I339 HydrophobicContact CG2-CD1 4.16Å; I280-I339 HydrophobicContact CG2-CG1 4.16Å; I280-L342 HydrophobicContact CG1-CD1 3.89Å |
| 281 | A | 98.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 84.4 Ų | 84.4 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T277 M278 A279 K285 | T277-A281 VanDerWaalsContact O-CB 3.25Å; T277-A281 WeakPolarHBondContact O-CB 3.46Å; T277-A281 PolarHBondContact O-N 3.1Å; M278-A281 PolarHBondContact O-N 3.01Å; A279-A281 PolarHBondContact O-N 3.15Å; A281-K285 WeakPolarHBondContact O-CG 3.45Å; A281-K285 PolarHBondContact O-N 3.45Å; A281-K285 VanDerWaalsContact O-N 3.12Å |
| 282 | A | 98.2 | Very high | 96.1 | Very high | 61 Ų | 61 | 85.9 Ų | 85.9 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M278 A279 I280 K285 E286 | M278-A282 WeakPolarHBondContact O-CB 3.19Å; M278-A282 PolarHBondContact O-N 3.05Å; A279-A282 PolarHBondContact O-N 3.29Å; I280-A282 VanDerWaalsContact C-N 3.34Å; I280-A282 PolarHBondContact O-N 2.97Å; A282-K285 PolarHBondContact O-N 3.01Å; A282-E286 PolarHBondContact O-N 3.31Å; A282-E286 VanDerWaalsContact O-N 3.09Å |
| 283 | K | 98.4 | Very high | 96.6 | Very high | 58 Ų | 58 | 87.1 Ų | 87.1 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 178.4 | -171.4 | 73.2 | -169.2 | 166.7 | 0 | 112.5 | A279 I280 K285 E286 I287 L335 F338 | A279-K283 PolarHBondContact O-N 3Å; I280-K283 PolarHBondContact O-N 3.13Å; K283-K285 VanDerWaalsContact C-N 3.27Å; K283-K285 PolarHBondContact O-N 3.15Å; K283-E286 WeakPolarHBondContact CD-OE2 3.5Å; K283-E286 IonicContact NZ-OE2 2.98Å; K283-E286 PolarHBondContact NZ-OE2 3.37Å; K283-E286 WeakPolarHBondContact O-CB 3.23Å; K283-E286 PolarHBondContact O-N 2.63Å; K283-E286 VanDerWaalsContact O-N 3.11Å; K283-I287 HydrophobicContact CG-CD1 4.02Å; K283-I287 WeakPolarHBondContact O-CG1 3.27Å; K283-I287 PolarHBondContact O-N 3.33Å; K283-L335 HydrophobicContact CB-CD1 4.43Å; K283-L335 HydrophobicContact CG-CD1 4.33Å; K283-F338 HydrophobicContact CB-CD1 3.57Å; K283-F338 HydrophobicContact CB-CE1 3.39Å; K283-F338 HydrophobicContact CB-CG 4.17Å; K283-F338 HydrophobicContact CB-CZ 3.91Å; K283-F338 HydrophobicContact CD-CD1 4.38Å; K283-F338 HydrophobicContact CD-CD2 4.07Å; K283-F338 HydrophobicContact CD-CE2 4.22Å; K283-F338 HydrophobicContact CD-CG 4.14Å; K283-F338 HydrophobicContact CD-CZ 4.42Å; K283-F338 HydrophobicContact CG-CB 4.16Å; K283-F338 HydrophobicContact CG-CD1 3.57Å; K283-F338 HydrophobicContact CG-CD2 4.11Å; K283-F338 HydrophobicContact CG-CE1 3.87Å; K283-F338 HydrophobicContact CG-CE2 4.39Å; K283-F338 HydrophobicContact CG-CG 3.67Å; K283-F338 HydrophobicContact CG-CZ 4.27Å |
| 284 | A | 98.5 | Very high | 97 | Very high | 34 Ų | 34 | 83.4 Ų | 83.4 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.3 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I280 I287 E288 L335 | I280-A284 VanDerWaalsContact O-CB 3.27Å; I280-A284 WeakPolarHBondContact O-CB 3.48Å; I280-A284 PolarHBondContact O-N 3.32Å; A284-I287 PolarHBondContact O-N 2.64Å; A284-E288 WeakPolarHBondContact O-CB 3.31Å; A284-E288 PolarHBondContact O-N 3.16Å; A284-L335 HydrophobicContact CB-CD1 4.06Å; A284-L335 HydrophobicContact CB-CD2 4.15Å |
| 285 | K | 98.3 | Very high | 97.2 | Very high | 133 Ų | 133 | 77.7 Ų | 77.7 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 175.3 | -76.9 | 175.5 | -179.4 | 176.2 | 0 | 112.9 | A281 A282 K283 K289 | A281-K285 WeakPolarHBondContact O-CG 3.45Å; A281-K285 PolarHBondContact O-N 3.45Å; A281-K285 VanDerWaalsContact O-N 3.12Å; A282-K285 PolarHBondContact O-N 3.01Å; K283-K285 VanDerWaalsContact C-N 3.27Å; K283-K285 PolarHBondContact O-N 3.15Å; K285-K289 WeakPolarHBondContact O-CG 3.14Å; K285-K289 PolarHBondContact O-N 3.22Å; K285-K289 VanDerWaalsContact O-N 3.13Å |
| 286 | E | 98.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 175.8 | -174 | -172.3 | -165.7 | 0 | 0 | 110.7 | A282 K283 E288 K289 V290 | A282-E286 PolarHBondContact O-N 3.31Å; A282-E286 VanDerWaalsContact O-N 3.09Å; K283-E286 WeakPolarHBondContact CD-OE2 3.5Å; K283-E286 IonicContact NZ-OE2 2.98Å; K283-E286 PolarHBondContact NZ-OE2 3.37Å; K283-E286 WeakPolarHBondContact O-CB 3.23Å; K283-E286 PolarHBondContact O-N 2.63Å; K283-E286 VanDerWaalsContact O-N 3.11Å; E286-E288 VanDerWaalsContact C-N 3.32Å; E286-E288 PolarHBondContact O-N 2.7Å; E286-K289 WeakPolarHBondContact O-CB 3.38Å; E286-K289 PolarHBondContact O-N 3.26Å; E286-K289 VanDerWaalsContact O-N 3.13Å; E286-V290 PolarHBondContact O-N 3.06Å |
| 287 | I | 98.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 73.4 Ų | 73.4 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.9 | -67.3 | 172.3 | 0 | 0 | 0 | 110.9 | K283 A284 K289 V290 Y291 C331 D334 L335 | K283-I287 HydrophobicContact CG-CD1 4.02Å; K283-I287 WeakPolarHBondContact O-CG1 3.27Å; K283-I287 PolarHBondContact O-N 3.33Å; A284-I287 PolarHBondContact O-N 2.64Å; I287-K289 VanDerWaalsContact C-N 3.29Å; I287-K289 PolarHBondContact O-N 3.43Å; I287-V290 PolarHBondContact O-N 3.36Å; I287-Y291 WeakPolarHBondContact O-CB 3.42Å; I287-Y291 PolarHBondContact O-N 3.33Å; I287-C331 HydrophobicContact CG2-CB 3.42Å; I287-C331 VanDerWaalsContact CG2-CB 3.42Å; I287-D334 HydrophobicContact CD1-CB 4.01Å; I287-L335 HydrophobicContact CD1-CB 3.83Å; I287-L335 HydrophobicContact CD1-CD1 4.29Å |
| 288 | E | 97.7 | Very high | 97.6 | Very high | 97 Ų | 97 | 73 Ų | 73 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 177.3 | -169.1 | -167.1 | 153.8 | 0 | 0 | 112.6 | A284 E286 R292 | A284-E288 WeakPolarHBondContact O-CB 3.31Å; A284-E288 PolarHBondContact O-N 3.16Å; E286-E288 VanDerWaalsContact C-N 3.32Å; E286-E288 PolarHBondContact O-N 2.7Å; E288-R292 WeakPolarHBondContact O-CB 3.39Å; E288-R292 WeakPolarHBondContact O-CG 3.05Å; E288-R292 PolarHBondContact O-N 3.17Å; E288-R292 PolarHBondContact O-NE 3Å; E288-R292 IonicContact OE1-CZ 3.94Å; E288-R292 VanDerWaalsContact OE1-CZ 3.23Å; E288-R292 IonicContact OE1-NE 3.65Å; E288-R292 IonicContact OE1-NH2 3.23Å; E288-R292 PolarHBondContact OE1-NH2 2.8Å; E288-R292 IonicContact OE2-NH2 2.7Å |
| 289 | K | 97.7 | Very high | 97.6 | Very high | 145 Ų | 145 | 66.4 Ų | 66.4 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.3 | -45.6 | 175.2 | -75.1 | 174.4 | 179.3 | -174.1 | 0 | 111.2 | K285 E286 I287 R292 Q293 | K285-K289 WeakPolarHBondContact O-CG 3.14Å; K285-K289 PolarHBondContact O-N 3.22Å; K285-K289 VanDerWaalsContact O-N 3.13Å; E286-K289 WeakPolarHBondContact O-CB 3.38Å; E286-K289 PolarHBondContact O-N 3.26Å; E286-K289 VanDerWaalsContact O-N 3.13Å; I287-K289 VanDerWaalsContact C-N 3.29Å; I287-K289 PolarHBondContact O-N 3.43Å; K289-R292 PolarHBondContact O-N 3.38Å; K289-Q293 PolarHBondContact O-N 3.46Å |
| 290 | V | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 70.3 Ų | 70.3 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | E286 I287 R292 Q293 D294 | E286-V290 PolarHBondContact O-N 3.06Å; I287-V290 PolarHBondContact O-N 3.36Å; V290-R292 VanDerWaalsContact C-N 3.28Å; V290-R292 PolarHBondContact O-N 3.44Å; V290-Q293 WeakPolarHBondContact O-CB 3.46Å; V290-Q293 PolarHBondContact O-N 3.11Å; V290-Q293 VanDerWaalsContact O-N 3.1Å; V290-D294 PolarHBondContact O-N 2.93Å |
| 291 | Y | 98.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 72 Ų | 72 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 177.8 | -176.4 | -109.1 | 0 | 0 | 0 | 112.9 | I287 D294 C295 L324 I327 R328 | I287-Y291 WeakPolarHBondContact O-CB 3.42Å; I287-Y291 PolarHBondContact O-N 3.33Å; Y291-D294 PolarHBondContact O-N 3.37Å; Y291-C295 PolarHBondContact O-N 3.29Å; Y291-C295 PolarHBondContact O-SG 3.43Å; Y291-L324 PolarHBondContact OH-O 3.38Å; Y291-I327 HydrophobicContact CD2-CB 4.46Å; Y291-I327 HydrophobicContact CD2-CG2 3.76Å; Y291-I327 HydrophobicContact CE2-CB 4.33Å; Y291-I327 HydrophobicContact CE2-CG2 4.12Å; Y291-R328 HydrophobicContact CD2-CB 4.47Å; Y291-R328 HydrophobicContact CE2-CB 3.65Å; Y291-R328 HydrophobicContact CE2-CG 4.5Å |
| 292 | R | 96.9 | Very high | 97.4 | Very high | 100 Ų | 100 | 70.3 Ų | 70.3 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 173.7 | -88.6 | -174 | -89.3 | -167.5 | -12.7 | 112.2 | E288 K289 V290 D294 C295 E296 | E288-R292 WeakPolarHBondContact O-CB 3.39Å; E288-R292 WeakPolarHBondContact O-CG 3.05Å; E288-R292 PolarHBondContact O-N 3.17Å; E288-R292 PolarHBondContact O-NE 3Å; E288-R292 IonicContact OE1-CZ 3.94Å; E288-R292 VanDerWaalsContact OE1-CZ 3.23Å; E288-R292 IonicContact OE1-NE 3.65Å; E288-R292 IonicContact OE1-NH2 3.23Å; E288-R292 PolarHBondContact OE1-NH2 2.8Å; E288-R292 IonicContact OE2-NH2 2.7Å; K289-R292 PolarHBondContact O-N 3.38Å; V290-R292 VanDerWaalsContact C-N 3.28Å; V290-R292 PolarHBondContact O-N 3.44Å; R292-D294 VanDerWaalsContact C-N 3.25Å; R292-D294 PolarHBondContact O-N 3.33Å; R292-C295 WeakPolarHBondContact O-CB 3.49Å; R292-C295 PolarHBondContact O-N 2.93Å; R292-C295 VanDerWaalsContact O-N 3.09Å; R292-E296 WeakPolarHBondContact O-CG 3.35Å; R292-E296 PolarHBondContact O-N 2.84Å |
| 293 | Q | 97.6 | Very high | 97.2 | Very high | 117 Ų | 117 | 71.7 Ų | 71.7 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 177.4 | -176.3 | -175.7 | -4.6 | 0 | 0 | 111.5 | K289 V290 E296 T297 | K289-Q293 PolarHBondContact O-N 3.46Å; V290-Q293 WeakPolarHBondContact O-CB 3.46Å; V290-Q293 PolarHBondContact O-N 3.11Å; V290-Q293 VanDerWaalsContact O-N 3.1Å; Q293-E296 PolarHBondContact O-N 2.97Å; Q293-T297 WeakPolarHBondContact O-CB 3.39Å; Q293-T297 PolarHBondContact O-N 3.18Å; Q293-T297 PolarHBondContact O-OG1 3.46Å |
| 294 | D | 97.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 174.2 | -71 | -28 | 0 | 0 | 0 | 110.3 | V290 Y291 R292 E296 T297 F298 I327 | V290-D294 PolarHBondContact O-N 2.93Å; Y291-D294 PolarHBondContact O-N 3.37Å; R292-D294 VanDerWaalsContact C-N 3.25Å; R292-D294 PolarHBondContact O-N 3.33Å; D294-E296 VanDerWaalsContact C-N 3.29Å; D294-E296 PolarHBondContact O-N 3.42Å; D294-T297 PolarHBondContact O-N 3.48Å; D294-T297 VanDerWaalsContact O-N 3.13Å; D294-F298 WeakPolarHBondContact O-CD2 3.39Å; D294-F298 PolarHBondContact O-N 3.11Å; D294-I327 HydrophobicContact CB-CD1 4.29Å; D294-I327 HydrophobicContact CB-CG2 4.35Å; D294-I327 VanDerWaalsContact OD2-CG2 3.27Å; D294-I327 WeakPolarHBondContact OD2-CG2 3.26Å |
| 295 | C | 97 | Very high | 97 | Very high | 13 Ų | 13 | 75.5 Ų | 75.5 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | L150 Y291 R292 G299 | L150-C295 HydrophobicContact CD1-CB 3.73Å; Y291-C295 PolarHBondContact O-N 3.29Å; Y291-C295 PolarHBondContact O-SG 3.43Å; R292-C295 WeakPolarHBondContact O-CB 3.49Å; R292-C295 PolarHBondContact O-N 2.93Å; R292-C295 VanDerWaalsContact O-N 3.09Å; C295-G299 PolarHBondContact O-N 3.09Å |
| 296 | E | 96.1 | Very high | 96.9 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 177 | -73.2 | 167.7 | -166.4 | 0 | 0 | 112 | R292 Q293 D294 G299 M300 | R292-E296 WeakPolarHBondContact O-CG 3.35Å; R292-E296 PolarHBondContact O-N 2.84Å; Q293-E296 PolarHBondContact O-N 2.97Å; D294-E296 VanDerWaalsContact C-N 3.29Å; D294-E296 PolarHBondContact O-N 3.42Å; E296-G299 PolarHBondContact O-N 2.89Å; E296-M300 PolarHBondContact O-N 3.34Å |
| 297 | T | 97 | Very high | 96.8 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | Q293 D294 G299 M300 V301 | Q293-T297 WeakPolarHBondContact O-CB 3.39Å; Q293-T297 PolarHBondContact O-N 3.18Å; Q293-T297 PolarHBondContact O-OG1 3.46Å; D294-T297 PolarHBondContact O-N 3.48Å; D294-T297 VanDerWaalsContact O-N 3.13Å; T297-G299 VanDerWaalsContact C-N 3.26Å; T297-G299 PolarHBondContact O-N 2.83Å; T297-M300 PolarHBondContact O-N 3.28Å; T297-V301 WeakPolarHBondContact O-CG2 3.45Å; T297-V301 PolarHBondContact O-N 2.9Å; T297-V301 VanDerWaalsContact O-N 3.12Å |
| 298 | F | 96.9 | Very high | 96.7 | Very high | 63 Ų | 63 | 76 Ų | 76 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59 | -41 | 173.7 | -83.2 | -78 | 0 | 0 | 0 | 111.2 | D294 V301 V302 L320 N323 L324 I327 | D294-F298 WeakPolarHBondContact O-CD2 3.39Å; D294-F298 PolarHBondContact O-N 3.11Å; F298-V301 PolarHBondContact O-N 3.12Å; F298-V302 WeakPolarHBondContact O-CB 3.28Å; F298-V302 VanDerWaalsContact O-CG2 3.26Å; F298-V302 WeakPolarHBondContact O-CG2 3.47Å; F298-V302 PolarHBondContact O-N 3.34Å; F298-L320 HydrophobicContact CB-CD1 3.77Å; F298-L320 HydrophobicContact CD1-CD1 3.96Å; F298-L320 HydrophobicContact CG-CD1 4.1Å; F298-N323 HydrophobicContact CE1-CB 4.18Å; F298-N323 HydrophobicContact CZ-CB 4.19Å; F298-L324 HydrophobicContact CB-CD2 4.46Å; F298-L324 HydrophobicContact CD2-CD2 3.84Å; F298-L324 HydrophobicContact CE2-CD2 4.47Å; F298-L324 HydrophobicContact CG-CD2 4.28Å; F298-I327 HydrophobicContact CD2-CD1 4.29Å; F298-I327 HydrophobicContact CE2-CD1 3.44Å; F298-I327 VanDerWaalsContact CE2-CD1 3.44Å; F298-I327 HydrophobicContact CZ-CD1 4.06Å |
| 299 | G | 95.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C295 E296 T297 K303 | C295-G299 PolarHBondContact O-N 3.09Å; E296-G299 PolarHBondContact O-N 2.89Å; T297-G299 VanDerWaalsContact C-N 3.26Å; T297-G299 PolarHBondContact O-N 2.83Å; G299-K303 WeakPolarHBondContact O-CB 3.38Å; G299-K303 PolarHBondContact O-N 2.91Å |
| 300 | M | 96.4 | Very high | 96.6 | Very high | 116 Ų | 116 | 72.1 Ų | 72.1 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.7 | -47 | 174.6 | -178.4 | 169.6 | 55.3 | 0 | 0 | 110.6 | E296 T297 K303 M304 | E296-M300 PolarHBondContact O-N 3.34Å; T297-M300 PolarHBondContact O-N 3.28Å; M300-K303 PolarHBondContact O-N 3.31Å; M300-M304 VanDerWaalsContact O-CG 3.31Å; M300-M304 WeakPolarHBondContact O-CG 3.44Å; M300-M304 PolarHBondContact O-N 2.91Å |
| 301 | V | 96.5 | Very high | 96.4 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 39% | 0.394 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 179.3 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | T297 F298 K303 M304 L305 | T297-V301 WeakPolarHBondContact O-CG2 3.45Å; T297-V301 PolarHBondContact O-N 2.9Å; T297-V301 VanDerWaalsContact O-N 3.12Å; F298-V301 PolarHBondContact O-N 3.12Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 2.84Å; V301-M304 PolarHBondContact O-N 3.16Å; V301-M304 VanDerWaalsContact O-N 3.14Å; V301-L305 HydrophobicContact CG1-CD1 3.9Å; V301-L305 HydrophobicContact CG1-CG 4.32Å; V301-L305 WeakPolarHBondContact O-CG 3.07Å; V301-L305 PolarHBondContact O-N 2.98Å |
| 302 | V | 96.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V144 F298 M304 L305 V306 L316 L320 | V144-V302 HydrophobicContact CG1-CG1 3.77Å; V144-V302 HydrophobicContact CG2-CG1 4.48Å; F298-V302 WeakPolarHBondContact O-CB 3.28Å; F298-V302 VanDerWaalsContact O-CG2 3.26Å; F298-V302 WeakPolarHBondContact O-CG2 3.47Å; F298-V302 PolarHBondContact O-N 3.34Å; V302-M304 VanDerWaalsContact C-N 3.32Å; V302-M304 PolarHBondContact O-N 3.18Å; V302-L305 PolarHBondContact O-N 2.98Å; V302-V306 HydrophobicContact CG1-CG2 4.24Å; V302-V306 WeakPolarHBondContact O-CB 3.17Å; V302-V306 VanDerWaalsContact O-CG2 3.31Å; V302-V306 WeakPolarHBondContact O-CG2 3.32Å; V302-V306 PolarHBondContact O-N 3.11Å; V302-L316 HydrophobicContact CG1-CD1 4.31Å; V302-L320 HydrophobicContact CG1-CD2 4.43Å; V302-L320 HydrophobicContact CG2-CD1 4.01Å; V302-L320 HydrophobicContact CG2-CD2 3.96Å; V302-L320 HydrophobicContact CG2-CG 4.49Å |
| 303 | K | 93.9 | Very high | 96.1 | Very high | 91 Ų | 91 | 69.6 Ų | 69.6 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175 | -177 | -176.9 | -172 | 177.6 | 0 | 111.4 | R148 G299 M300 V301 A307 | R148-K303 HydrophobicContact CG-CD 4.05Å; R148-K303 HydrophobicContact CG-CG 4.28Å; G299-K303 WeakPolarHBondContact O-CB 3.38Å; G299-K303 PolarHBondContact O-N 2.91Å; M300-K303 PolarHBondContact O-N 3.31Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 2.84Å; K303-A307 VanDerWaalsContact O-CB 3.27Å; K303-A307 WeakPolarHBondContact O-CB 3.45Å; K303-A307 PolarHBondContact O-N 2.96Å |
| 304 | M | 96.7 | Very high | 95.9 | Very high | 107 Ų | 107 | 71.8 Ų | 71.8 | 53% | 0.527 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 177.4 | -68.8 | -161.4 | -40.5 | 0 | 0 | 112.7 | M300 V301 V302 A307 K308 | M300-M304 VanDerWaalsContact O-CG 3.31Å; M300-M304 WeakPolarHBondContact O-CG 3.44Å; M300-M304 PolarHBondContact O-N 2.91Å; V301-M304 PolarHBondContact O-N 3.16Å; V301-M304 VanDerWaalsContact O-N 3.14Å; V302-M304 VanDerWaalsContact C-N 3.32Å; V302-M304 PolarHBondContact O-N 3.18Å; M304-A307 PolarHBondContact O-N 2.94Å; M304-K308 WeakPolarHBondContact O-CG 3.42Å; M304-K308 PolarHBondContact O-N 3.35Å; M304-K308 VanDerWaalsContact O-N 3.15Å |
| 305 | L | 96.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 177.8 | -71.3 | 172.8 | 0 | 0 | 0 | 111.2 | V301 V302 A307 K308 D309 L312 L316 | V301-L305 HydrophobicContact CG1-CD1 3.9Å; V301-L305 HydrophobicContact CG1-CG 4.32Å; V301-L305 WeakPolarHBondContact O-CG 3.07Å; V301-L305 PolarHBondContact O-N 2.98Å; V302-L305 PolarHBondContact O-N 2.98Å; L305-A307 VanDerWaalsContact C-N 3.3Å; L305-A307 PolarHBondContact O-N 3.38Å; L305-K308 PolarHBondContact O-N 2.85Å; L305-K308 VanDerWaalsContact O-N 3.12Å; L305-D309 PolarHBondContact O-N 3.14Å; L305-L312 HydrophobicContact CB-CD1 4.42Å; L305-L316 HydrophobicContact CB-CD1 3.88Å; L305-L316 HydrophobicContact CD1-CD1 3.97Å; L305-L316 HydrophobicContact CD1-CD2 4.25Å |
| 306 | V | 96.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.055 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 178 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | V302 K308 D309 P310 E313 L316 | V302-V306 HydrophobicContact CG1-CG2 4.24Å; V302-V306 WeakPolarHBondContact O-CB 3.17Å; V302-V306 VanDerWaalsContact O-CG2 3.31Å; V302-V306 WeakPolarHBondContact O-CG2 3.32Å; V302-V306 PolarHBondContact O-N 3.11Å; V306-K308 VanDerWaalsContact C-N 3.28Å; V306-K308 PolarHBondContact O-N 2.79Å; V306-D309 CarbonylContact O-C 3.58Å; V306-D309 VanDerWaalsContact O-C 3.27Å; V306-P310 WeakPolarHBondContact O-CA 3.42Å; V306-E313 HydrophobicContact CG1-CB 4.23Å; V306-E313 HydrophobicContact CG2-CB 4.02Å; V306-L316 HydrophobicContact CG2-CD1 4.24Å |
| 307 | A | 95.1 | Very high | 95.6 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 67% | 0.669 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.4 | -31.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K303 M304 L305 | K303-A307 VanDerWaalsContact O-CB 3.27Å; K303-A307 WeakPolarHBondContact O-CB 3.45Å; K303-A307 PolarHBondContact O-N 2.96Å; M304-A307 PolarHBondContact O-N 2.94Å; L305-A307 VanDerWaalsContact C-N 3.3Å; L305-A307 PolarHBondContact O-N 3.38Å |
| 308 | K | 97.4 | Very high | 95.5 | Very high | 180 Ų | 180 | 74 Ų | 74 | 78% | 0.783 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -79.7 | -42.1 | 175.6 | -71.9 | -178.5 | 179.3 | -171.2 | 0 | 112.1 | M304 L305 V306 | M304-K308 WeakPolarHBondContact O-CG 3.42Å; M304-K308 PolarHBondContact O-N 3.35Å; M304-K308 VanDerWaalsContact O-N 3.15Å; L305-K308 PolarHBondContact O-N 2.85Å; L305-K308 VanDerWaalsContact O-N 3.12Å; V306-K308 VanDerWaalsContact C-N 3.28Å; V306-K308 PolarHBondContact O-N 2.79Å |
| 309 | D | 96.9 | Very high | 95.5 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | trans | -141.6 | 103.7 | 177.5 | -176.7 | -6.7 | 0 | 0 | 0 | 110.4 | L305 V306 S311 L312 | L305-D309 PolarHBondContact O-N 3.14Å; V306-D309 CarbonylContact O-C 3.58Å; V306-D309 VanDerWaalsContact O-C 3.27Å; D309-S311 PolarHBondContact O-N 3.39Å; D309-S311 VanDerWaalsContact OD1-CB 3.29Å; D309-S311 WeakPolarHBondContact OD1-CB 3.46Å; D309-S311 PolarHBondContact OD1-N 3.14Å; D309-S311 PolarHBondContact OD1-OG 3.31Å; D309-S311 PolarHBondContact OD2-OG 3.35Å; D309-L312 HydrophobicContact CB-CD1 3.87Å; D309-L312 HydrophobicContact CB-CG 3.92Å; D309-L312 WeakPolarHBondContact O-CB 3.49Å; D309-L312 PolarHBondContact O-N 3.18Å | ||
| 310 | P | 95.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 73.8 Ų | 73.8 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22 | 179.2 | -25.1 | 35.2 | 0 | 0 | 0 | 114.2 | V306 L312 E313 | V306-P310 WeakPolarHBondContact O-CA 3.42Å; P310-L312 PolarHBondContact O-N 3.02Å; P310-E313 PolarHBondContact O-N 3.04Å |
| 311 | S | 95.3 | Very high | 95.5 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 51% | 0.51 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.7 | 179.7 | 74.8 | 0 | 0 | 0 | 0 | 112.8 | D309 E313 | D309-S311 PolarHBondContact O-N 3.39Å; D309-S311 VanDerWaalsContact OD1-CB 3.29Å; D309-S311 WeakPolarHBondContact OD1-CB 3.46Å; D309-S311 PolarHBondContact OD1-N 3.14Å; D309-S311 PolarHBondContact OD1-OG 3.31Å; D309-S311 PolarHBondContact OD2-OG 3.35Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 PolarHBondContact O-N 3.01Å |
| 312 | L | 95.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.6 | -18 | 177.9 | -64.8 | 178.3 | 0 | 0 | 0 | 113.5 | L305 D309 P310 K314 Q315 L316 | L305-L312 HydrophobicContact CB-CD1 4.42Å; D309-L312 HydrophobicContact CB-CD1 3.87Å; D309-L312 HydrophobicContact CB-CG 3.92Å; D309-L312 WeakPolarHBondContact O-CB 3.49Å; D309-L312 PolarHBondContact O-N 3.18Å; P310-L312 PolarHBondContact O-N 3.02Å; L312-K314 VanDerWaalsContact C-N 3.3Å; L312-K314 PolarHBondContact O-N 2.88Å; L312-Q315 PolarHBondContact O-N 3.48Å; L312-L316 HydrophobicContact CB-CD1 4.01Å; L312-L316 HydrophobicContact CB-CG 4.31Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 VanDerWaalsContact O-CG 3.31Å; L312-L316 WeakPolarHBondContact O-CG 3.25Å; L312-L316 PolarHBondContact O-N 3.4Å |
| 313 | E | 93.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 80.1 Ų | 80.1 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -53.8 | -46.8 | -174.6 | -179.1 | 162.6 | -153.1 | 0 | 0 | 112.2 | V306 P310 S311 L316 Q317 | V306-E313 HydrophobicContact CG1-CB 4.23Å; V306-E313 HydrophobicContact CG2-CB 4.02Å; P310-E313 PolarHBondContact O-N 3.04Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 PolarHBondContact O-N 3.01Å; E313-L316 PolarHBondContact O-N 2.91Å; E313-Q317 WeakPolarHBondContact O-CG 3.43Å |
| 314 | K | 93.5 | Very high | 95.7 | Very high | 164 Ų | 164 | 76.2 Ų | 76.2 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.5 | -34.5 | 178.9 | -62.1 | -167.7 | 175.3 | -167.4 | 0 | 112.9 | L312 L316 | L312-K314 VanDerWaalsContact C-N 3.3Å; L312-K314 PolarHBondContact O-N 2.88Å; K314-L316 VanDerWaalsContact C-N 3.35Å |
| 315 | Q | 95.4 | Very high | 95.7 | Very high | 133 Ų | 133 | 72.8 Ų | 72.8 | 62% | 0.621 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.1 | -31.3 | -179.8 | -63.6 | -178 | -0.6 | 0 | 0 | 112 | L312 P319 | L312-Q315 PolarHBondContact O-N 3.48Å; Q315-P319 WeakPolarHBondContact O-CD 3.33Å |
| 316 | L | 95.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 74.8 Ų | 74.8 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -81.3 | -16.7 | -177.8 | -69.3 | 173.4 | 0 | 0 | 0 | 113.7 | V302 L305 V306 L312 E313 K314 L320 | V302-L316 HydrophobicContact CG1-CD1 4.31Å; L305-L316 HydrophobicContact CB-CD1 3.88Å; L305-L316 HydrophobicContact CD1-CD1 3.97Å; L305-L316 HydrophobicContact CD1-CD2 4.25Å; V306-L316 HydrophobicContact CG2-CD1 4.24Å; L312-L316 HydrophobicContact CB-CD1 4.01Å; L312-L316 HydrophobicContact CB-CG 4.31Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 VanDerWaalsContact O-CG 3.31Å; L312-L316 WeakPolarHBondContact O-CG 3.25Å; L312-L316 PolarHBondContact O-N 3.4Å; E313-L316 PolarHBondContact O-N 2.91Å; K314-L316 VanDerWaalsContact C-N 3.35Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 PolarHBondContact O-N 2.99Å |
| 317 | Q | 92.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 75 Ų | 75 | 5% | 0.051 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.6 | -49.5 | -176.1 | -82.2 | 173.2 | 4.4 | 0 | 0 | 114 | E140 D141 V144 E313 R321 | E140-Q317 HydrophobicContact CB-CG 4.48Å; D141-Q317 PolarHBondContact OD1-NE2 2.94Å; V144-Q317 HydrophobicContact CG2-CG 3.8Å; E313-Q317 WeakPolarHBondContact O-CG 3.43Å; Q317-R321 WeakPolarHBondContact O-CB 3.49Å; Q317-R321 WeakPolarHBondContact O-CG 3.37Å; Q317-R321 PolarHBondContact O-N 3.23Å |
| 318 | V | 95.1 | Very high | 96 | Very high | 79 Ų | 79 | 78.3 Ų | 78.3 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -52.7 | -177.9 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | L320 R321 E322 | V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 2.78Å; V318-R321 WeakPolarHBondContact O-CB 3.32Å; V318-R321 PolarHBondContact O-N 3.05Å; V318-R321 VanDerWaalsContact O-N 3.15Å; V318-E322 HydrophobicContact CG1-CG 4.41Å; V318-E322 WeakPolarHBondContact O-CG 3.44Å; V318-E322 PolarHBondContact O-N 3.24Å |
| 319 | P | 96.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 177.4 | -24.4 | 34.4 | 0 | 0 | 0 | 113 | Q315 R321 E322 N323 | Q315-P319 WeakPolarHBondContact O-CD 3.33Å; P319-R321 PolarHBondContact O-N 2.92Å; P319-E322 PolarHBondContact O-N 2.88Å; P319-N323 WeakPolarHBondContact O-CB 3.49Å; P319-N323 PolarHBondContact O-N 2.87Å; P319-N323 PolarHBondContact O-ND2 3.38Å |
| 320 | L | 96.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 79 Ų | 79 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 178.6 | -179.5 | 62.8 | 0 | 0 | 0 | 111.9 | V144 I147 F298 V302 L316 V318 L324 | V144-L320 HydrophobicContact CG2-CD2 3.92Å; I147-L320 HydrophobicContact CD1-CD1 4.23Å; I147-L320 HydrophobicContact CD1-CD2 3.55Å; I147-L320 HydrophobicContact CD1-CG 3.97Å; F298-L320 HydrophobicContact CB-CD1 3.77Å; F298-L320 HydrophobicContact CD1-CD1 3.96Å; F298-L320 HydrophobicContact CG-CD1 4.1Å; V302-L320 HydrophobicContact CG1-CD2 4.43Å; V302-L320 HydrophobicContact CG2-CD1 4.01Å; V302-L320 HydrophobicContact CG2-CD2 3.96Å; V302-L320 HydrophobicContact CG2-CG 4.49Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 PolarHBondContact O-N 2.99Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 2.78Å; L320-L324 HydrophobicContact CD1-CD1 3.93Å; L320-L324 HydrophobicContact CD1-CG 4.18Å; L320-L324 HydrophobicContact CG-CD1 4.1Å; L320-L324 WeakPolarHBondContact O-CB 3.23Å; L320-L324 VanDerWaalsContact O-CG 3.31Å; L320-L324 WeakPolarHBondContact O-CG 3.32Å; L320-L324 PolarHBondContact O-N 2.88Å |
| 321 | R | 94.8 | Very high | 96.3 | Very high | 148 Ų | 148 | 75.3 Ų | 75.3 | 56% | 0.558 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | 176.2 | -82.8 | -179.3 | 65.3 | -146 | -4.9 | 112.2 | L143 Q317 V318 P319 G325 | L143-R321 HydrophobicContact CD2-CB 4.35Å; L143-R321 HydrophobicContact CD2-CG 3.21Å; Q317-R321 WeakPolarHBondContact O-CB 3.49Å; Q317-R321 WeakPolarHBondContact O-CG 3.37Å; Q317-R321 PolarHBondContact O-N 3.23Å; V318-R321 WeakPolarHBondContact O-CB 3.32Å; V318-R321 PolarHBondContact O-N 3.05Å; V318-R321 VanDerWaalsContact O-N 3.15Å; P319-R321 PolarHBondContact O-N 2.92Å; R321-G325 WeakPolarHBondContact O-CA 3.46Å; R321-G325 PolarHBondContact O-N 2.91Å |
| 322 | E | 97.3 | Very high | 96.5 | Very high | 110 Ų | 110 | 75.5 Ų | 75.5 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | -180 | -71 | 173.1 | 163.2 | 0 | 0 | 110 | V318 P319 L324 G325 E326 | V318-E322 HydrophobicContact CG1-CG 4.41Å; V318-E322 WeakPolarHBondContact O-CG 3.44Å; V318-E322 PolarHBondContact O-N 3.24Å; P319-E322 PolarHBondContact O-N 2.88Å; E322-L324 PolarHBondContact O-N 2.86Å; E322-G325 CarbonylContact O-C 3.27Å; E322-G325 WeakPolarHBondContact O-CA 3.46Å; E322-G325 PolarHBondContact O-N 3.45Å; E322-G325 VanDerWaalsContact O-N 3.11Å; E322-E326 WeakPolarHBondContact O-CG 3.38Å; E322-E326 PolarHBondContact O-N 3.47Å |
| 323 | N | 97.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 179.6 | -80.9 | -94.3 | 0 | 0 | 0 | 112.4 | F298 P319 G325 E326 I327 | F298-N323 HydrophobicContact CE1-CB 4.18Å; F298-N323 HydrophobicContact CZ-CB 4.19Å; P319-N323 WeakPolarHBondContact O-CB 3.49Å; P319-N323 PolarHBondContact O-N 2.87Å; P319-N323 PolarHBondContact O-ND2 3.38Å; N323-G325 VanDerWaalsContact C-N 3.28Å; N323-G325 PolarHBondContact O-N 2.93Å; N323-E326 PolarHBondContact O-N 3.25Å; N323-I327 WeakPolarHBondContact O-CD1 3.25Å; N323-I327 VanDerWaalsContact O-CG1 3.23Å; N323-I327 WeakPolarHBondContact O-CG1 3.27Å; N323-I327 PolarHBondContact O-N 2.93Å |
| 324 | L | 97.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 79.5 Ų | 79.5 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.5 | -32.2 | 176.6 | -68.5 | 177.9 | 0 | 0 | 0 | 112.1 | I147 Y291 F298 L320 E322 R328 | I147-L324 HydrophobicContact CD1-CD1 3.4Å; I147-L324 VanDerWaalsContact CD1-CD1 3.4Å; I147-L324 HydrophobicContact CG1-CD1 4.35Å; Y291-L324 PolarHBondContact OH-O 3.38Å; F298-L324 HydrophobicContact CB-CD2 4.46Å; F298-L324 HydrophobicContact CD2-CD2 3.84Å; F298-L324 HydrophobicContact CE2-CD2 4.47Å; F298-L324 HydrophobicContact CG-CD2 4.28Å; L320-L324 HydrophobicContact CD1-CD1 3.93Å; L320-L324 HydrophobicContact CD1-CG 4.18Å; L320-L324 HydrophobicContact CG-CD1 4.1Å; L320-L324 WeakPolarHBondContact O-CB 3.23Å; L320-L324 VanDerWaalsContact O-CG 3.31Å; L320-L324 WeakPolarHBondContact O-CG 3.32Å; L320-L324 PolarHBondContact O-N 2.88Å; E322-L324 PolarHBondContact O-N 2.86Å; L324-R328 VanDerWaalsContact O-CB 3.25Å; L324-R328 WeakPolarHBondContact O-CB 3.47Å; L324-R328 PolarHBondContact O-N 3.09Å |
| 325 | G | 97.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R321 E322 N323 R328 E329 | R321-G325 WeakPolarHBondContact O-CA 3.46Å; R321-G325 PolarHBondContact O-N 2.91Å; E322-G325 CarbonylContact O-C 3.27Å; E322-G325 WeakPolarHBondContact O-CA 3.46Å; E322-G325 PolarHBondContact O-N 3.45Å; E322-G325 VanDerWaalsContact O-N 3.11Å; N323-G325 VanDerWaalsContact C-N 3.28Å; N323-G325 PolarHBondContact O-N 2.93Å; G325-R328 WeakPolarHBondContact O-CB 3.4Å; G325-R328 PolarHBondContact O-N 3.45Å; G325-E329 PolarHBondContact O-N 3.45Å |
| 326 | E | 98.3 | Very high | 97.2 | Very high | 106 Ų | 106 | 73.3 Ų | 73.3 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.2 | -71.7 | 173.1 | -161.9 | 0 | 0 | 112.4 | E322 N323 E329 R330 | E322-E326 WeakPolarHBondContact O-CG 3.38Å; E322-E326 PolarHBondContact O-N 3.47Å; N323-E326 PolarHBondContact O-N 3.25Å; E326-E329 PolarHBondContact O-N 3.07Å; E326-R330 WeakPolarHBondContact O-CG 3.42Å; E326-R330 PolarHBondContact O-N 3.35Å |
| 327 | I | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 76.6 Ų | 76.6 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.3 | -63.3 | 164.4 | 0 | 0 | 0 | 109.9 | Y291 D294 F298 N323 E329 R330 C331 | Y291-I327 HydrophobicContact CD2-CB 4.46Å; Y291-I327 HydrophobicContact CD2-CG2 3.76Å; Y291-I327 HydrophobicContact CE2-CB 4.33Å; Y291-I327 HydrophobicContact CE2-CG2 4.12Å; D294-I327 HydrophobicContact CB-CD1 4.29Å; D294-I327 HydrophobicContact CB-CG2 4.35Å; D294-I327 VanDerWaalsContact OD2-CG2 3.27Å; D294-I327 WeakPolarHBondContact OD2-CG2 3.26Å; F298-I327 HydrophobicContact CD2-CD1 4.29Å; F298-I327 HydrophobicContact CE2-CD1 3.44Å; F298-I327 VanDerWaalsContact CE2-CD1 3.44Å; F298-I327 HydrophobicContact CZ-CD1 4.06Å; N323-I327 WeakPolarHBondContact O-CD1 3.25Å; N323-I327 VanDerWaalsContact O-CG1 3.23Å; N323-I327 WeakPolarHBondContact O-CG1 3.27Å; N323-I327 PolarHBondContact O-N 2.93Å; I327-E329 VanDerWaalsContact C-N 3.3Å; I327-E329 PolarHBondContact O-N 3.46Å; I327-R330 PolarHBondContact O-N 3.03Å; I327-C331 WeakPolarHBondContact O-CB 3.4Å; I327-C331 PolarHBondContact O-N 2.91Å; I327-C331 PolarHBondContact O-SG 3.44Å |
| 328 | R | 98.1 | Very high | 97.6 | Very high | 151 Ų | 151 | 78.2 Ų | 78.2 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | 175.9 | 179.8 | -175.2 | 173.6 | -140 | -1.9 | 111.1 | Y291 L324 G325 C331 L332 | Y291-R328 HydrophobicContact CD2-CB 4.47Å; Y291-R328 HydrophobicContact CE2-CB 3.65Å; Y291-R328 HydrophobicContact CE2-CG 4.5Å; L324-R328 VanDerWaalsContact O-CB 3.25Å; L324-R328 WeakPolarHBondContact O-CB 3.47Å; L324-R328 PolarHBondContact O-N 3.09Å; G325-R328 WeakPolarHBondContact O-CB 3.4Å; G325-R328 PolarHBondContact O-N 3.45Å; R328-C331 WeakPolarHBondContact O-CB 3.46Å; R328-C331 PolarHBondContact O-N 3.44Å; R328-L332 HydrophobicContact CG-CD1 4.28Å; R328-L332 VanDerWaalsContact O-CG 3.32Å; R328-L332 WeakPolarHBondContact O-CG 3.23Å; R328-L332 PolarHBondContact O-N 3.34Å |
| 329 | E | 98.5 | Very high | 97.7 | Very high | 117 Ų | 117 | 76.5 Ų | 76.5 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 179.1 | -174.1 | 165.3 | -153.4 | 0 | 0 | 111 | G325 E326 I327 C331 L332 E333 | G325-E329 PolarHBondContact O-N 3.45Å; E326-E329 PolarHBondContact O-N 3.07Å; I327-E329 VanDerWaalsContact C-N 3.3Å; I327-E329 PolarHBondContact O-N 3.46Å; E329-C331 VanDerWaalsContact C-N 3.34Å; E329-C331 PolarHBondContact O-N 3.38Å; E329-L332 WeakPolarHBondContact O-CB 3.38Å; E329-L332 PolarHBondContact O-N 3.39Å; E329-E333 WeakPolarHBondContact O-CG 3.37Å; E329-E333 PolarHBondContact O-N 3.4Å |
| 330 | R | 98.5 | Very high | 97.7 | Very high | 142 Ų | 142 | 80.6 Ų | 80.6 | 54% | 0.536 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.2 | -43.9 | 174.2 | -72.7 | -174.9 | -74.2 | 161.1 | -7.1 | 112.8 | E326 I327 L332 E333 D334 | E326-R330 WeakPolarHBondContact O-CG 3.42Å; E326-R330 PolarHBondContact O-N 3.35Å; I327-R330 PolarHBondContact O-N 3.03Å; R330-L332 VanDerWaalsContact C-N 3.28Å; R330-L332 PolarHBondContact O-N 3.34Å; R330-E333 WeakPolarHBondContact O-CB 3.48Å; R330-E333 PolarHBondContact O-N 2.81Å; R330-E333 VanDerWaalsContact O-N 3.14Å; R330-D334 VanDerWaalsContact O-CG 3.29Å; R330-D334 PolarHBondContact O-N 2.98Å |
| 331 | C | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 84.6 Ų | 84.6 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 175.1 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | I287 I327 R328 E329 L335 | I287-C331 HydrophobicContact CG2-CB 3.42Å; I287-C331 VanDerWaalsContact CG2-CB 3.42Å; I327-C331 WeakPolarHBondContact O-CB 3.4Å; I327-C331 PolarHBondContact O-N 2.91Å; I327-C331 PolarHBondContact O-SG 3.44Å; R328-C331 WeakPolarHBondContact O-CB 3.46Å; R328-C331 PolarHBondContact O-N 3.44Å; E329-C331 VanDerWaalsContact C-N 3.34Å; E329-C331 PolarHBondContact O-N 3.38Å; C331-L335 PolarHBondContact O-N 2.89Å |
| 332 | L | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 79.2 Ų | 79.2 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 177 | -67.5 | 174.6 | 0 | 0 | 0 | 111.9 | R328 E329 R330 K336 | R328-L332 HydrophobicContact CG-CD1 4.28Å; R328-L332 VanDerWaalsContact O-CG 3.32Å; R328-L332 WeakPolarHBondContact O-CG 3.23Å; R328-L332 PolarHBondContact O-N 3.34Å; E329-L332 WeakPolarHBondContact O-CB 3.38Å; E329-L332 PolarHBondContact O-N 3.39Å; R330-L332 VanDerWaalsContact C-N 3.28Å; R330-L332 PolarHBondContact O-N 3.34Å; L332-K336 VanDerWaalsContact O-CG 3.23Å; L332-K336 WeakPolarHBondContact O-CG 3.26Å; L332-K336 PolarHBondContact O-N 2.85Å |
| 333 | E | 98.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 76 Ų | 76 | 45% | 0.453 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 173.7 | -71.6 | 177.3 | 167.9 | 0 | 0 | 111.6 | E329 R330 L335 K336 H337 | E329-E333 WeakPolarHBondContact O-CG 3.37Å; E329-E333 PolarHBondContact O-N 3.4Å; R330-E333 WeakPolarHBondContact O-CB 3.48Å; R330-E333 PolarHBondContact O-N 2.81Å; R330-E333 VanDerWaalsContact O-N 3.14Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 2.92Å; E333-K336 CarbonylContact O-C 3.56Å; E333-K336 WeakPolarHBondContact O-CB 3.38Å; E333-K336 PolarHBondContact O-N 2.9Å; E333-K336 VanDerWaalsContact O-N 3.14Å; E333-H337 WeakPolarHBondContact O-CB 3.27Å; E333-H337 PolarHBondContact O-N 2.85Å |
| 334 | D | 98.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 77.8 Ų | 77.8 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.9 | -71.5 | -11.3 | 0 | 0 | 0 | 111.4 | I287 R330 H337 F338 | I287-D334 HydrophobicContact CD1-CB 4.01Å; R330-D334 VanDerWaalsContact O-CG 3.29Å; R330-D334 PolarHBondContact O-N 2.98Å; D334-H337 PolarHBondContact O-N 3.36Å; D334-F338 WeakPolarHBondContact O-CB 3.27Å; D334-F338 PolarHBondContact O-N 3.16Å |
| 335 | L | 98.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 82.7 Ų | 82.7 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 176.5 | -174.9 | 60.6 | 0 | 0 | 0 | 111.6 | I280 K283 A284 I287 C331 E333 H337 F338 I339 | I280-L335 HydrophobicContact CG2-CD1 4.41Å; K283-L335 HydrophobicContact CB-CD1 4.43Å; K283-L335 HydrophobicContact CG-CD1 4.33Å; A284-L335 HydrophobicContact CB-CD1 4.06Å; A284-L335 HydrophobicContact CB-CD2 4.15Å; I287-L335 HydrophobicContact CD1-CB 3.83Å; I287-L335 HydrophobicContact CD1-CD1 4.29Å; C331-L335 PolarHBondContact O-N 2.89Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 2.92Å; L335-H337 VanDerWaalsContact C-N 3.34Å; L335-F338 PolarHBondContact O-N 3.11Å; L335-I339 HydrophobicContact CG-CD1 4.17Å; L335-I339 VanDerWaalsContact O-CG1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.46Å; L335-I339 PolarHBondContact O-N 3.5Å |
| 336 | K | 98.3 | Very high | 95.6 | Very high | 130 Ų | 130 | 84.9 Ų | 84.9 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 175.9 | -73.9 | 168.1 | -175.4 | 172.8 | 0 | 111.5 | L332 E333 I339 K340 | L332-K336 VanDerWaalsContact O-CG 3.23Å; L332-K336 WeakPolarHBondContact O-CG 3.26Å; L332-K336 PolarHBondContact O-N 2.85Å; E333-K336 CarbonylContact O-C 3.56Å; E333-K336 WeakPolarHBondContact O-CB 3.38Å; E333-K336 PolarHBondContact O-N 2.9Å; E333-K336 VanDerWaalsContact O-N 3.14Å; K336-I339 PolarHBondContact O-N 3.41Å; K336-K340 WeakPolarHBondContact O-CG 3.48Å; K336-K340 PolarHBondContact O-N 3.17Å; K336-K340 VanDerWaalsContact O-N 3.09Å |
| 337 | H | 98.4 | Very high | 94.2 | Very high | 106 Ų | 106 | 87.9 Ų | 87.9 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 177 | -171.3 | -86.9 | 0 | 0 | 0 | 110.6 | E333 D334 L335 I339 K340 E341 | E333-H337 WeakPolarHBondContact O-CB 3.27Å; E333-H337 PolarHBondContact O-N 2.85Å; D334-H337 PolarHBondContact O-N 3.36Å; L335-H337 VanDerWaalsContact C-N 3.34Å; H337-I339 VanDerWaalsContact C-N 3.33Å; H337-I339 PolarHBondContact O-N 3.17Å; H337-K340 WeakPolarHBondContact O-CB 3.38Å; H337-K340 PolarHBondContact O-N 3.1Å; H337-E341 IonicContact CE1-OE1 3.38Å; H337-E341 PolarHBondContact CE1-OE1 3.29Å; H337-E341 IonicContact CE1-OE2 3.59Å; H337-E341 IonicContact ND1-OE1 3.11Å; H337-E341 PolarHBondContact ND1-OE1 3.25Å; H337-E341 IonicContact ND1-OE2 3.6Å; H337-E341 PolarHBondContact ND1-OE2 3.06Å; H337-E341 VanDerWaalsContact ND1-OE2 3.11Å; H337-E341 PolarHBondContact O-N 2.66Å |
| 338 | F | 98.1 | Very high | 92.1 | Very high | 45 Ų | 45 | 93.4 Ų | 93.4 | 20% | 0.197 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 177.6 | 178.7 | -104 | 0 | 0 | 0 | 113 | A279 K283 D334 L335 K340 E341 L342 | A279-F338 HydrophobicContact CB-CE1 4.47Å; A279-F338 HydrophobicContact CB-CZ 4.36Å; K283-F338 HydrophobicContact CB-CD1 3.57Å; K283-F338 HydrophobicContact CB-CE1 3.39Å; K283-F338 HydrophobicContact CB-CG 4.17Å; K283-F338 HydrophobicContact CB-CZ 3.91Å; K283-F338 HydrophobicContact CD-CD1 4.38Å; K283-F338 HydrophobicContact CD-CD2 4.07Å; K283-F338 HydrophobicContact CD-CE2 4.22Å; K283-F338 HydrophobicContact CD-CG 4.14Å; K283-F338 HydrophobicContact CD-CZ 4.42Å; K283-F338 HydrophobicContact CG-CB 4.16Å; K283-F338 HydrophobicContact CG-CD1 3.57Å; K283-F338 HydrophobicContact CG-CD2 4.11Å; K283-F338 HydrophobicContact CG-CE1 3.87Å; K283-F338 HydrophobicContact CG-CE2 4.39Å; K283-F338 HydrophobicContact CG-CG 3.67Å; K283-F338 HydrophobicContact CG-CZ 4.27Å; D334-F338 WeakPolarHBondContact O-CB 3.27Å; D334-F338 PolarHBondContact O-N 3.16Å; L335-F338 PolarHBondContact O-N 3.11Å; F338-K340 VanDerWaalsContact C-N 3.31Å; F338-K340 PolarHBondContact O-N 3.13Å; F338-E341 PolarHBondContact O-N 2.96Å; F338-L342 HydrophobicContact CD1-CD1 3.79Å; F338-L342 HydrophobicContact CD1-CG 4.29Å; F338-L342 HydrophobicContact CE1-CD1 3.19Å; F338-L342 HydrophobicContact CE1-CG 3.9Å; F338-L342 HydrophobicContact CE2-CD1 4.34Å; F338-L342 HydrophobicContact CE2-CD2 4.43Å; F338-L342 HydrophobicContact CE2-CG 4.2Å; F338-L342 HydrophobicContact CZ-CD1 3.52Å; F338-L342 HydrophobicContact CZ-CD2 4.11Å; F338-L342 HydrophobicContact CZ-CG 3.85Å; F338-L342 WeakPolarHBondContact O-CB 3.35Å; F338-L342 WeakPolarHBondContact O-CG 3.44Å; F338-L342 PolarHBondContact O-N 3.43Å |
| 339 | I | 96.9 | Very high | 89.6 | Confident | 44 Ų | 44 | 91.4 Ų | 91.4 | 23% | 0.226 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.9 | -68.2 | 164.7 | 0 | 0 | 0 | 110.7 | I280 L335 K336 H337 L342 D343 | I280-I339 HydrophobicContact CD1-CG1 3.91Å; I280-I339 HydrophobicContact CD1-CG2 4.41Å; I280-I339 HydrophobicContact CG1-CG1 3.91Å; I280-I339 HydrophobicContact CG2-CD1 4.16Å; I280-I339 HydrophobicContact CG2-CG1 4.16Å; L335-I339 HydrophobicContact CG-CD1 4.17Å; L335-I339 VanDerWaalsContact O-CG1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.46Å; L335-I339 PolarHBondContact O-N 3.5Å; K336-I339 PolarHBondContact O-N 3.41Å; H337-I339 VanDerWaalsContact C-N 3.33Å; H337-I339 PolarHBondContact O-N 3.17Å; I339-L342 PolarHBondContact O-N 3.01Å; I339-D343 WeakPolarHBondContact O-CB 3.27Å; I339-D343 PolarHBondContact O-N 2.92Å |
| 340 | K | 96.9 | Very high | 86.7 | Confident | 140 Ų | 140 | 94 Ų | 94 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 176.9 | -70.3 | 171.7 | -178.4 | -179.4 | 0 | 111.1 | K336 H337 F338 L342 D343 E344 | K336-K340 WeakPolarHBondContact O-CG 3.48Å; K336-K340 PolarHBondContact O-N 3.17Å; K336-K340 VanDerWaalsContact O-N 3.09Å; H337-K340 WeakPolarHBondContact O-CB 3.38Å; H337-K340 PolarHBondContact O-N 3.1Å; F338-K340 VanDerWaalsContact C-N 3.31Å; F338-K340 PolarHBondContact O-N 3.13Å; K340-L342 VanDerWaalsContact C-N 3.35Å; K340-L342 PolarHBondContact O-N 3.42Å; K340-D343 PolarHBondContact O-N 3.01Å; K340-D343 VanDerWaalsContact O-N 3.17Å; K340-E344 WeakPolarHBondContact O-CG 3.35Å; K340-E344 PolarHBondContact O-N 3.47Å |
| 341 | E | 96.2 | Very high | 84.1 | Confident | 92 Ų | 92 | 93 Ų | 93 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 176.8 | -71.4 | 176.9 | 137.1 | 0 | 0 | 111.4 | H337 F338 D343 E344 D345 | H337-E341 IonicContact CE1-OE1 3.38Å; H337-E341 PolarHBondContact CE1-OE1 3.29Å; H337-E341 IonicContact CE1-OE2 3.59Å; H337-E341 IonicContact ND1-OE1 3.11Å; H337-E341 PolarHBondContact ND1-OE1 3.25Å; H337-E341 IonicContact ND1-OE2 3.6Å; H337-E341 PolarHBondContact ND1-OE2 3.06Å; H337-E341 VanDerWaalsContact ND1-OE2 3.11Å; H337-E341 PolarHBondContact O-N 2.66Å; F338-E341 PolarHBondContact O-N 2.96Å; E341-D343 VanDerWaalsContact C-N 3.33Å; E341-D343 PolarHBondContact O-N 2.94Å; E341-E344 PolarHBondContact O-N 3.29Å; E341-D345 WeakPolarHBondContact O-CB 3.34Å; E341-D345 VanDerWaalsContact O-CG 3.28Å; E341-D345 PolarHBondContact O-N 3.49Å |
| 342 | L | 94.4 | Very high | 81.5 | Confident | 35 Ų | 35 | 97.4 Ų | 97.4 | 18% | 0.183 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 175.5 | -76.8 | -178.3 | 0 | 0 | 0 | 113 | A279 I280 F338 I339 K340 E344 D345 V346 | A279-L342 HydrophobicContact CB-CD1 3.84Å; I280-L342 HydrophobicContact CG1-CD1 3.89Å; F338-L342 HydrophobicContact CD1-CD1 3.79Å; F338-L342 HydrophobicContact CD1-CG 4.29Å; F338-L342 HydrophobicContact CE1-CD1 3.19Å; F338-L342 HydrophobicContact CE1-CG 3.9Å; F338-L342 HydrophobicContact CE2-CD1 4.34Å; F338-L342 HydrophobicContact CE2-CD2 4.43Å; F338-L342 HydrophobicContact CE2-CG 4.2Å; F338-L342 HydrophobicContact CZ-CD1 3.52Å; F338-L342 HydrophobicContact CZ-CD2 4.11Å; F338-L342 HydrophobicContact CZ-CG 3.85Å; F338-L342 WeakPolarHBondContact O-CB 3.35Å; F338-L342 WeakPolarHBondContact O-CG 3.44Å; F338-L342 PolarHBondContact O-N 3.43Å; I339-L342 PolarHBondContact O-N 3.01Å; K340-L342 VanDerWaalsContact C-N 3.35Å; K340-L342 PolarHBondContact O-N 3.42Å; L342-E344 VanDerWaalsContact C-N 3.34Å; L342-D345 PolarHBondContact O-N 3.44Å; L342-V346 WeakPolarHBondContact O-CB 3.2Å; L342-V346 WeakPolarHBondContact O-CG2 3.44Å; L342-V346 PolarHBondContact O-N 3.49Å |
| 343 | D | 91.5 | Very high | 79.3 | Confident | 42 Ų | 42 | 100.3 Ų | 100.3 | 23% | 0.225 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -69.5 | -33.8 | -179.6 | -73 | -16.3 | 0 | 0 | 0 | 111.9 | R276 I339 K340 E341 R347 | R276-D343 IonicContact CZ-OD1 3.24Å; R276-D343 VanDerWaalsContact CZ-OD1 3.24Å; R276-D343 IonicContact CZ-OD2 3.93Å; R276-D343 IonicContact NE-OD1 2.66Å; R276-D343 PolarHBondContact NE-OD1 3.03Å; R276-D343 IonicContact NH2-OD1 2.96Å; R276-D343 PolarHBondContact NH2-OD1 3.15Å; R276-D343 IonicContact NH2-OD2 2.94Å; R276-D343 PolarHBondContact NH2-OD2 3.02Å; I339-D343 WeakPolarHBondContact O-CB 3.27Å; I339-D343 PolarHBondContact O-N 2.92Å; K340-D343 PolarHBondContact O-N 3.01Å; K340-D343 VanDerWaalsContact O-N 3.17Å; E341-D343 VanDerWaalsContact C-N 3.33Å; E341-D343 PolarHBondContact O-N 2.94Å; D343-R347 WeakPolarHBondContact O-CB 2.85Å; D343-R347 WeakPolarHBondContact O-CG 3.35Å; D343-R347 PolarHBondContact O-N 3.29Å; D343-R347 VanDerWaalsContact O-N 3.13Å |
| 344 | E | 92.6 | Very high | 76.5 | Confident | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.8 | -40.8 | 174.2 | -65.6 | -50.8 | 117.5 | 0 | 0 | 111.8 | K340 E341 L342 V346 R347 L348 | K340-E344 WeakPolarHBondContact O-CG 3.35Å; K340-E344 PolarHBondContact O-N 3.47Å; E341-E344 PolarHBondContact O-N 3.29Å; L342-E344 VanDerWaalsContact C-N 3.34Å; E344-V346 VanDerWaalsContact C-N 3.3Å; E344-V346 PolarHBondContact O-N 3.49Å; E344-R347 PolarHBondContact O-N 3.29Å; E344-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 IonicContact OE1-NH1 3.29Å; E344-R347 PolarHBondContact OE1-NH1 3.44Å; E344-L348 PolarHBondContact O-N 2.92Å; E344-L348 VanDerWaalsContact O-N 3.1Å |
| 345 | D | 82.9 | Confident | 73.5 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -35.7 | 175.1 | -71.3 | -20 | 0 | 0 | 0 | 112 | E341 L342 | E341-D345 WeakPolarHBondContact O-CB 3.34Å; E341-D345 VanDerWaalsContact O-CG 3.28Å; E341-D345 PolarHBondContact O-N 3.49Å; L342-D345 PolarHBondContact O-N 3.44Å |
| 346 | V | 77.6 | Confident | 71.2 | Confident | 83 Ų | 83 | 107.7 Ų | 107.7 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.2 | -27.4 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 112 | L342 E344 | L342-V346 WeakPolarHBondContact O-CB 3.2Å; L342-V346 WeakPolarHBondContact O-CG2 3.44Å; L342-V346 PolarHBondContact O-N 3.49Å; E344-V346 VanDerWaalsContact C-N 3.3Å; E344-V346 PolarHBondContact O-N 3.49Å |
| 347 | R | 69.9 | Low | 68.4 | Low | 169 Ų | 169 | 107.6 Ų | 107.6 | 64% | 0.638 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.6 | -17 | 176.8 | -86.7 | -170 | -178.3 | 95.7 | 11.4 | 114.3 | D343 E344 P349 | D343-R347 WeakPolarHBondContact O-CB 2.85Å; D343-R347 WeakPolarHBondContact O-CG 3.35Å; D343-R347 PolarHBondContact O-N 3.29Å; D343-R347 VanDerWaalsContact O-N 3.13Å; E344-R347 PolarHBondContact O-N 3.29Å; E344-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 IonicContact OE1-NH1 3.29Å; E344-R347 PolarHBondContact OE1-NH1 3.44Å; R347-P349 VanDerWaalsContact C-CD 3.42Å; R347-P349 WeakPolarHBondContact O-CD 3.42Å |
| 348 | L | 52.3 | Low | 65.6 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 68% | 0.681 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -89.8 | 89.5 | 170.7 | -72.1 | 167.1 | 0 | 0 | 0 | 108.5 | E344 E350 | E344-L348 PolarHBondContact O-N 2.92Å; E344-L348 VanDerWaalsContact O-N 3.1Å; L348-E350 PolarHBondContact O-N 3.47Å |
| 349 | P | 47.4 | Very low | 63.2 | Low | 108 Ų | 108 | 112.2 Ų | 112.2 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | trans | -60.4 | 124.7 | 161.1 | 28 | -31.7 | 0 | 0 | 0 | 106.9 | R347 P351 | R347-P349 VanDerWaalsContact C-CD 3.42Å; R347-P349 WeakPolarHBondContact O-CD 3.42Å; P349-P351 WeakPolarHBondContact O-CD 3.45Å; P349-P351 VanDerWaalsContact O-N 3.16Å | ||
| 350 | E | 37.4 | Very low | 60.3 | Low | 173 Ų | 173 | 114.7 Ų | 114.7 | 81% | 0.808 | 66% | 0.656 | S | S | * | * | trans | -34.6 | 119.3 | 163.3 | -74.9 | -98.1 | 132.8 | 0 | 0 | 110.2 | L348 S352 | L348-E350 PolarHBondContact O-N 3.47Å; E350-S352 VanDerWaalsContact C-N 3.25Å; E350-S352 PolarHBondContact O-N 3.47Å | ||
| 351 | P | 43.4 | Very low | 57.8 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | trans | -66.9 | 97 | 160.2 | 27.7 | -30.5 | 0 | 0 | 0 | 106.5 | P349 V353 | P349-P351 WeakPolarHBondContact O-CD 3.45Å; P349-P351 VanDerWaalsContact O-N 3.16Å; P351-V353 PolarHBondContact O-N 2.86Å; P351-V353 VanDerWaalsContact O-N 3.16Å | ||
| 352 | S | 42.7 | Very low | 55.2 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -51.5 | 121.1 | 170.7 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | E350 C354 | E350-S352 VanDerWaalsContact C-N 3.25Å; E350-S352 PolarHBondContact O-N 3.47Å; S352-C354 PolarHBondContact O-N 3.25Å | ||
| 353 | V | 52.8 | Low | 52.8 | Low | 138 Ų | 138 | 122.3 Ų | 122.3 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | -50.6 | 126.5 | 171.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | P351 | P351-V353 PolarHBondContact O-N 2.86Å; P351-V353 VanDerWaalsContact O-N 3.16Å | ||
| 354 | C | 39.7 | Very low | 50.4 | Low | 112 Ų | 112 | 129.4 Ų | 129.4 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | 176.8 | 126 | 146.9 | -87.6 | 0 | 0 | 0 | 0 | 106.1 | S352 | S352-C354 PolarHBondContact O-N 3.25Š| ||
| 355 | D | 36.2 | Very low | 48 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | cis | -146.7 | 151.6 | 37.8 | -82.9 | -39.8 | 0 | 0 | 0 | 113.2 | ||||
| 356 | S | 49.8 | Very low | 46.1 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -78.7 | 123.2 | 166.6 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 357 | V | 38.8 | Very low | 44.6 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 101 | 153.4 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 358 | T | 40.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 33.6 | 139.7 | 150.3 | 56.8 | 0 | 0 | 0 | 0 | 122.3 | A360 | T358-A360 PolarHBondContact O-N 3.41Š| ||
| 359 | P | 46.7 | Very low | 42.8 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 115.1 | 171.7 | 34 | -28.6 | 0 | 0 | 0 | 110.5 | ||||
| 360 | A | 36.3 | Very low | 42.7 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -90.3 | 115.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T358 S362 | T358-A360 PolarHBondContact O-N 3.41Å; A360-S362 PolarHBondContact O-N 3.36Å | ||
| 361 | M | 44.7 | Very low | 42.8 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -50.2 | 132.2 | 165.8 | -72.2 | -169.2 | 80.4 | 0 | 0 | 110.9 | Q363 | M361-Q363 HydrophobicContact CE-CG 4.04Š| ||
| 362 | S | 40.8 | Very low | 43 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -145.2 | 84.3 | 150.3 | -77 | 0 | 0 | 0 | 0 | 108.2 | A360 K364 | A360-S362 PolarHBondContact O-N 3.36Å; S362-K364 PolarHBondContact O-N 3.29Å | ||
| 363 | Q | 44.7 | Very low | 43 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 127.2 | 153.3 | -67.4 | 176.7 | -20.5 | 0 | 0 | 107.7 | M361 | M361-Q363 HydrophobicContact CE-CG 4.04Š| ||
| 364 | K | 41.1 | Very low | 42.6 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | -175.5 | 128.6 | 129.7 | -102.1 | 167.5 | -170.7 | -174.3 | 0 | 112.5 | S362 | S362-K364 PolarHBondContact O-N 3.29Š| |||
| 365 | L | 41.7 | Very low | 42.7 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 81.1 | 85.7 | 141.9 | -72.3 | 154.9 | 0 | 0 | 0 | 119 | ||||
| 366 | L | 43.6 | Very low | 43.2 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | 10.2 | 114 | 118.8 | -65 | 162.2 | 0 | 0 | 0 | 116.7 | |||||
| 367 | K | 47.2 | Very low | 43 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -152 | 108 | 130.7 | -155.5 | 84.5 | 177 | -172.7 | 0 | 110.2 | ||||
| 368 | T | 43.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -57.3 | 128 | 163.6 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 369 | G | 39.9 | Very low | 43.4 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -135.5 | 70.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N371 | G369-N371 PolarHBondContact O-N 3.41Š| ||
| 370 | V | 44.8 | Very low | 43.2 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | trans | -66.2 | 120.2 | 163.1 | 172.5 | 0 | 0 | 0 | 0 | 107.1 | H372 | V370-H372 WeakPolarHBondContact CG1-CD2 3.24Å; V370-H372 WeakPolarHBondContact CG1-NE2 3.41Å | ||
| 371 | N | 39.1 | Very low | 43.6 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -131.9 | 99.2 | 159.7 | -79.1 | -32.1 | 0 | 0 | 0 | 108.1 | G369 | G369-N371 PolarHBondContact O-N 3.41Š| ||
| 372 | H | 48 | Very low | 43.5 | Very low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -84.6 | 170.5 | 153.9 | -54.8 | -65.6 | 0 | 0 | 0 | 108.7 | V370 | V370-H372 WeakPolarHBondContact CG1-CD2 3.24Å; V370-H372 WeakPolarHBondContact CG1-NE2 3.41Å | ||
| 373 | S | 41.9 | Very low | 43.7 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 95.3 | 133.2 | 175.5 | -56 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 374 | S | 44.6 | Very low | 43.6 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | cis | -166.1 | 139.8 | -2.7 | -86.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 375 | S | 42.2 | Very low | 43.8 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | 37.7 | 111.5 | 93.3 | 174.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 376 | S | 47 | Very low | 44 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 154.1 | 126.2 | 162.6 | -72.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 377 | F | 45.6 | Very low | 44 | Very low | 273 Ų | 273 | 138.9 Ų | 138.9 | 100% | 1.197 | 80% | 0.804 | S | S | * | * | cis | -154.5 | 0 | 2.8 | -118.3 | -83.9 | 0 | 0 | 0 | 106.8 |
Retrieved 377 of 377 residues in 189.9 ms
(Link to these results)