| 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 | 45.3 | Very low | 58.2 | Low | 229 Ų | 229 | 121.1 Ų | 121.1 | 100% | 1.128 | 66% | 0.658 | S | S | * | * | 0 | 128.1 | 0 | -64.1 | 168 | -176.8 | 0 | 0 | 106.9 | |||||
| 2 | A | 43.1 | Very low | 59.6 | Low | 105 Ų | 105 | 120.3 Ų | 120.3 | 87% | 0.868 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 126.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 3 | F | 45.7 | Very low | 61.1 | Low | 157 Ų | 157 | 118.8 Ų | 118.8 | 69% | 0.689 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 134.8 | 173.6 | -74.1 | -87.2 | 0 | 0 | 0 | 109.8 | ||
| 4 | S | 49.5 | Very low | 62.5 | Low | 68 Ų | 68 | 120.1 Ų | 120.1 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 135.2 | 176.8 | -69.1 | 0 | 0 | 0 | 0 | 110.1 | W6 Q7 | S4-W6 PolarHBondContact O-N 3.18Å; S4-Q7 PolarHBondContact O-N 2.91Å |
| 5 | P | 53.4 | Low | 63.5 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 69% | 0.688 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -53.1 | -27.7 | -173.7 | -30.5 | 35.9 | 0 | 0 | 0 | 115.4 | Q7 | P5-Q7 PolarHBondContact O-N 3.23Š|
| 6 | W | 55.7 | Low | 64.2 | Low | 164 Ų | 164 | 118.1 Ų | 118.1 | 62% | 0.621 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -65.9 | -17.7 | 179.5 | -54.2 | 99.6 | 0 | 0 | 0 | 115 | S4 W17 | S4-W6 PolarHBondContact O-N 3.18Å; W6-W17 HydrophobicContact CH2-CH2 4.21Å; W6-W17 HydrophobicContact CH2-CZ2 4.11Å; W6-W17 HydrophobicContact CZ3-CH2 4.08Å; W6-W17 HydrophobicContact CZ3-CZ2 4.13Å; W6-W17 HydrophobicContact CZ3-CZ3 4.46Å |
| 7 | Q | 59.9 | Low | 64.9 | Low | 138 Ų | 138 | 119.1 Ų | 119.1 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -85.9 | -1.5 | -175 | -63.3 | -176 | -72.7 | 0 | 0 | 114.5 | S4 P5 | S4-Q7 PolarHBondContact O-N 2.91Å; P5-Q7 PolarHBondContact O-N 3.23Å |
| 8 | I | 63.6 | Low | 65.3 | Low | 137 Ų | 137 | 114.9 Ų | 114.9 | 70% | 0.703 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -104.6 | -10 | -173.7 | -57.4 | 175.3 | 0 | 0 | 0 | 112 | S10 | I8-S10 PolarHBondContact O-N 3.47Š|
| 9 | L | 69.7 | Low | 65.4 | Low | 67 Ų | 67 | 118.3 Ų | 118.3 | 35% | 0.351 | 60% | 0.604 | S | S | . | * | trans | -77.4 | 120.7 | -175.5 | -67 | 170 | 0 | 0 | 0 | 112.4 | Q13 | L9-Q13 HydrophobicContact CB-CB 4.41Å; L9-Q13 HydrophobicContact CD2-CB 3.94Å | ||
| 10 | S | 76.7 | Confident | 65.5 | Low | 52 Ų | 52 | 116.5 Ų | 116.5 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | trans | -58.7 | 149.1 | 167.7 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | I8 V12 Q13 W14 | I8-S10 PolarHBondContact O-N 3.47Å; S10-V12 PolarHBondContact O-N 2.84Å; S10-V12 PolarHBondContact OG-N 2.81Å; S10-Q13 WeakPolarHBondContact O-CA 3.19Å; S10-Q13 WeakPolarHBondContact O-CB 3.12Å; S10-Q13 PolarHBondContact O-N 3.21Å; S10-W14 PolarHBondContact O-N 2.8Å | ||
| 11 | P | 77.3 | Confident | 65.6 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 71% | 0.708 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -50.8 | -33.8 | 175.7 | -29.2 | 35.9 | 0 | 0 | 0 | 114 | W14 A15 | P11-W14 WeakPolarHBondContact O-CB 3.21Å; P11-W14 PolarHBondContact O-N 3.4Å; P11-A15 PolarHBondContact O-N 3.29Å |
| 12 | V | 75.4 | Confident | 66.6 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.9 | -35.9 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | S10 K16 | S10-V12 PolarHBondContact O-N 2.84Å; S10-V12 PolarHBondContact OG-N 2.81Å; V12-K16 PolarHBondContact O-N 3.25Å |
| 13 | Q | 79.3 | Confident | 67.3 | Low | 100 Ų | 100 | 114 Ų | 114 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73 | -34.5 | 175.1 | -64.1 | 173.8 | -58.1 | 0 | 0 | 111.5 | L9 S10 K16 W17 | L9-Q13 HydrophobicContact CB-CB 4.41Å; L9-Q13 HydrophobicContact CD2-CB 3.94Å; S10-Q13 WeakPolarHBondContact O-CA 3.19Å; S10-Q13 WeakPolarHBondContact O-CB 3.12Å; S10-Q13 PolarHBondContact O-N 3.21Å; Q13-K16 PolarHBondContact O-N 2.95Å; Q13-W17 WeakPolarHBondContact O-CB 3.47Å; Q13-W17 PolarHBondContact O-N 2.96Å |
| 14 | W | 79.8 | Confident | 67.1 | Low | 138 Ų | 138 | 109.1 Ų | 109.1 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -43.1 | 172.3 | -132.3 | 93.6 | 0 | 0 | 0 | 111.6 | S10 P11 T18 | S10-W14 PolarHBondContact O-N 2.8Å; P11-W14 WeakPolarHBondContact O-CB 3.21Å; P11-W14 PolarHBondContact O-N 3.4Å; W14-T18 HydrophobicContact CE3-CG2 3.73Å; W14-T18 HydrophobicContact CZ3-CG2 3.63Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.18Å; W14-T18 VanDerWaalsContact O-N 3.09Å; W14-T18 PolarHBondContact O-OG1 3.22Å |
| 15 | A | 78.1 | Confident | 66.5 | Low | 50 Ų | 50 | 110 Ų | 110 | 41% | 0.413 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.9 | -42.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P11 T18 W19 | P11-A15 PolarHBondContact O-N 3.29Å; A15-T18 PolarHBondContact O-OG1 2.65Å; A15-W19 VanDerWaalsContact O-CD1 3.29Å; A15-W19 PolarHBondContact O-N 2.88Å; A15-W19 VanDerWaalsContact O-N 3.09Å |
| 16 | K | 74.6 | Confident | 66 | Low | 158 Ų | 158 | 110 Ų | 110 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.4 | -39.4 | 179.6 | -150.1 | 178.2 | 78.7 | 166.3 | 0 | 112.7 | V12 Q13 W19 S20 | V12-K16 PolarHBondContact O-N 3.25Å; Q13-K16 PolarHBondContact O-N 2.95Å; K16-W19 PolarHBondContact O-N 3.02Å; K16-S20 PolarHBondContact O-N 3.38Å; K16-S20 PolarHBondContact O-OG 2.92Å |
| 17 | W | 75.7 | Confident | 65.2 | Low | 135 Ų | 135 | 107 Ų | 107 | 51% | 0.511 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66 | -44.8 | 177.7 | -174.8 | 77.8 | 0 | 0 | 0 | 112.1 | W6 Q13 W19 S20 A21 | W6-W17 HydrophobicContact CH2-CH2 4.21Å; W6-W17 HydrophobicContact CH2-CZ2 4.11Å; W6-W17 HydrophobicContact CZ3-CH2 4.08Å; W6-W17 HydrophobicContact CZ3-CZ2 4.13Å; W6-W17 HydrophobicContact CZ3-CZ3 4.46Å; Q13-W17 WeakPolarHBondContact O-CB 3.47Å; Q13-W17 PolarHBondContact O-N 2.96Å; W17-W19 PolarHBondContact O-N 3.49Å; W17-S20 PolarHBondContact O-N 3.32Å; W17-A21 WeakPolarHBondContact O-CB 3.25Å; W17-A21 PolarHBondContact O-N 3.32Å |
| 18 | T | 73.1 | Confident | 64 | Low | 44 Ų | 44 | 104.2 Ų | 104.2 | 27% | 0.27 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.4 | -38.7 | 175.6 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | W14 A15 A21 V22 | W14-T18 HydrophobicContact CE3-CG2 3.73Å; W14-T18 HydrophobicContact CZ3-CG2 3.63Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.18Å; W14-T18 VanDerWaalsContact O-N 3.09Å; W14-T18 PolarHBondContact O-OG1 3.22Å; A15-T18 PolarHBondContact O-OG1 2.65Å; T18-A21 PolarHBondContact O-N 3.3Å; T18-V22 WeakPolarHBondContact O-CB 3.45Å; T18-V22 VanDerWaalsContact O-CG2 3.24Å; T18-V22 WeakPolarHBondContact O-CG2 3.27Å; T18-V22 PolarHBondContact O-N 3.12Å |
| 19 | W | 65.9 | Low | 63.2 | Low | 179 Ų | 179 | 106.6 Ų | 106.6 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.3 | -39.2 | 173.7 | -90.5 | 72.1 | 0 | 0 | 0 | 113.8 | A15 K16 W17 R23 | A15-W19 VanDerWaalsContact O-CD1 3.29Å; A15-W19 PolarHBondContact O-N 2.88Å; A15-W19 VanDerWaalsContact O-N 3.09Å; K16-W19 PolarHBondContact O-N 3.02Å; W17-W19 PolarHBondContact O-N 3.49Å; W19-R23 PolarHBondContact O-N 2.87Å |
| 20 | S | 67.6 | Low | 61.9 | Low | 81 Ų | 81 | 111.7 Ų | 111.7 | 57% | 0.566 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67 | -40 | 173.8 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | K16 W17 V22 | K16-S20 PolarHBondContact O-N 3.38Å; K16-S20 PolarHBondContact O-OG 2.92Å; W17-S20 PolarHBondContact O-N 3.32Å; S20-V22 PolarHBondContact O-N 2.92Å |
| 21 | A | 68.4 | Low | 60.3 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 55% | 0.554 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.1 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W17 T18 | W17-A21 WeakPolarHBondContact O-CB 3.25Å; W17-A21 PolarHBondContact O-N 3.32Å; T18-A21 PolarHBondContact O-N 3.3Å |
| 22 | V | 66.3 | Low | 58.5 | Low | 127 Ų | 127 | 117.3 Ų | 117.3 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.4 | -25 | -177.1 | 164.7 | 0 | 0 | 0 | 0 | 113.9 | T18 S20 | T18-V22 WeakPolarHBondContact O-CB 3.45Å; T18-V22 VanDerWaalsContact O-CG2 3.24Å; T18-V22 WeakPolarHBondContact O-CG2 3.27Å; T18-V22 PolarHBondContact O-N 3.12Å; S20-V22 PolarHBondContact O-N 2.92Å |
| 23 | R | 57.9 | Low | 56.4 | Low | 204 Ų | 204 | 116 Ų | 116 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -99.4 | -5 | -178.4 | -148.1 | -169.9 | -75.3 | -156.2 | -2.6 | 115.3 | W19 | W19-R23 PolarHBondContact O-N 2.87Å |
| 24 | G | 40.4 | Very low | 54 | Low | 55 Ų | 55 | 114.9 Ų | 114.9 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | trans | 79.9 | 125.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | A26 | G24-A26 PolarHBondContact O-N 3.07Š| ||
| 25 | G | 37.5 | Very low | 52.8 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | trans | -83.2 | 100.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 26 | A | 43.8 | Very low | 50.7 | Low | 107 Ų | 107 | 121.3 Ų | 121.3 | 88% | 0.884 | 75% | 0.746 | S | S | * | * | trans | -119.1 | 76 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | G24 | G24-A26 PolarHBondContact O-N 3.07Š| ||
| 27 | A | 38.4 | Very low | 48.6 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -126.5 | 111.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 28 | G | 35.2 | Very low | 46.5 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -95.6 | 140.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | E | 45.7 | Very low | 46.1 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -111.4 | 122.1 | 167.8 | -64.5 | 177.2 | 133.7 | 0 | 0 | 107.1 | ||||
| 30 | D | 42.8 | Very low | 44.4 | Very low | 174 Ų | 174 | 121.9 Ų | 121.9 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -177.1 | 161.6 | 139 | -97.5 | -24.1 | 0 | 0 | 0 | 110.3 | ||||
| 31 | E | 43.1 | Very low | 42.7 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -124 | 159.2 | -148 | -148 | -170 | 171.8 | 0 | 0 | 115.7 | ||||
| 32 | A | 40.2 | Very low | 40.9 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | trans | 65.3 | 129.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 33 | G | 31 | Very low | 39.2 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 152.5 | 104.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 34 | G | 28 | Very low | 38.1 | Very low | 76 Ų | 76 | 126.5 Ų | 126.5 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -111 | -158.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 35 | P | 56 | Low | 37.6 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | cis | -136.3 | -144.6 | 3.6 | 41.5 | -20.1 | 0 | 0 | 0 | 113 | ||||
| 36 | E | 33.3 | Very low | 37.3 | Very low | 198 Ų | 198 | 132 Ų | 132 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | 74.4 | 139.9 | 177.9 | -54.4 | -169.2 | 133.2 | 0 | 0 | 116.3 | ||||
| 37 | G | 31 | Very low | 36.7 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | -153.1 | 176.7 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 38 | D | 31.2 | Very low | 36.4 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -114.5 | -159.6 | -159.3 | -145.1 | 15.7 | 0 | 0 | 0 | 112.6 | ||||
| 39 | P | 63.5 | Low | 36.5 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | -130 | 161 | -129.1 | 39.9 | -19.4 | 0 | 0 | 0 | 117.6 | |||||
| 40 | E | 31.2 | Very low | 36 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -149.2 | 142.6 | 165.1 | -75 | -172.8 | 175.6 | 0 | 0 | 109.6 | ||||
| 41 | E | 32.3 | Very low | 35.5 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | cis | -149.9 | 177.1 | -14.8 | -140.6 | -174.9 | -165.9 | 0 | 0 | 110.3 | ||||
| 42 | E | 29.3 | Very low | 35 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -104.4 | -169 | -170.2 | -147.6 | -179.7 | 159 | 0 | 0 | 113 | ||||
| 43 | D | 31.5 | Very low | 34.4 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 70.5 | 146.1 | 159.4 | -105.4 | 5.7 | 0 | 0 | 0 | 119.4 | ||||
| 44 | S | 35.3 | Very low | 34.4 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 49% | 0.49 | 77% | 0.772 | S | S | . | * | cis | -163.8 | 160.3 | -15.7 | -140.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 45 | Q | 29.4 | Very low | 34.8 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 61.5 | 154.8 | 145.1 | -77.1 | 169.2 | 37.8 | 0 | 0 | 120.1 | ||||
| 46 | A | 30.5 | Very low | 33.5 | Very low | 77 Ų | 77 | 139 Ų | 139 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -151.6 | 149.1 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | E | 32.3 | Very low | 33.9 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 29.6 | 136.2 | 139.8 | -51.7 | -168.5 | 138.7 | 0 | 0 | 122.3 | ||||
| 48 | T | 32.2 | Very low | 34 | Very low | 98 Ų | 98 | 141 Ų | 141 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | -179.3 | 141.6 | 90 | 32.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 49 | K | 37 | Very low | 34.3 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 65.5 | 132.5 | 161.5 | -54.6 | 138.5 | -168.9 | 153.3 | 0 | 115.3 | ||||
| 50 | S | 35.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | cis | -144.7 | 174.5 | 18.9 | -49 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | L | 32.6 | Very low | 33.2 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | cis | -142.6 | -152.1 | 6.8 | -142.5 | 177 | 0 | 0 | 0 | 108.2 | ||||
| 52 | S | 31.8 | Very low | 33.5 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -152 | 141 | 179.3 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 53 | F | 28.1 | Very low | 34.4 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 91% | 0.908 | 74% | 0.742 | S | S | * | * | -176 | 160.2 | 127.7 | -118.7 | -88.7 | 0 | 0 | 0 | 111.4 | |||||
| 54 | S | 30.9 | Very low | 35.4 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -129.9 | 145.9 | -176.6 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 55 | S | 36.5 | Very low | 35.4 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -172.7 | 120.1 | 152.4 | -103.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 56 | D | 29.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | 56.5 | 154.4 | 118.4 | -41.8 | -39.1 | 0 | 0 | 0 | 124.6 | |||||
| 57 | S | 40.7 | Very low | 35.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 84.1 | 121.4 | 171.4 | -44.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 58 | E | 33.5 | Very low | 36.4 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 95% | 0.949 | 77% | 0.765 | S | S | * | * | cis | 93.9 | 138 | 24 | -161.5 | 175.5 | 106.2 | 0 | 0 | 114.5 | ||||
| 59 | G | 37.9 | Very low | 37.5 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 95.7 | 90.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 60 | N | 37.8 | Very low | 37.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 55% | 0.551 | 77% | 0.766 | S | S | * | * | cis | 68.5 | 120 | 46.4 | -168.5 | 22.4 | 0 | 0 | 0 | 115.3 | E62 | N60-E62 VanDerWaalsContact ND2-CD 3.28Å; N60-E62 PolarHBondContact ND2-OE2 2.8Å; N60-E62 VanDerWaalsContact OD1-CG 3.3Å; N60-E62 WeakPolarHBondContact OD1-CG 3.49Å; N60-E62 PolarHBondContact OD1-N 3.3Å; N60-E62 PolarHBondContact OD1-OE2 3.38Å | ||
| 61 | F | 33.7 | Very low | 36.8 | Very low | 217 Ų | 217 | 137.6 Ų | 137.6 | 95% | 0.952 | 77% | 0.77 | S | S | * | * | trans | -145.9 | 127.1 | 135.7 | -116.8 | -75.6 | 0 | 0 | 0 | 110.1 | ||||
| 62 | E | 38.1 | Very low | 36.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 158.4 | -163.4 | -91.6 | 142.9 | 156.4 | 0 | 0 | 116.2 | N60 | N60-E62 VanDerWaalsContact ND2-CD 3.28Å; N60-E62 PolarHBondContact ND2-OE2 2.8Å; N60-E62 VanDerWaalsContact OD1-CG 3.3Å; N60-E62 WeakPolarHBondContact OD1-CG 3.49Å; N60-E62 PolarHBondContact OD1-N 3.3Å; N60-E62 PolarHBondContact OD1-OE2 3.38Å |
| 63 | T | 47.1 | Very low | 37.7 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 143.4 | 153.1 | 32.2 | 0 | 0 | 0 | 0 | 111.7 | E65 | T63-E65 PolarHBondContact O-N 2.88Š|
| 64 | P | 52.6 | Low | 37.5 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.4 | 160.7 | -16.9 | 31.3 | 0 | 0 | 0 | 110.7 | ||
| 65 | E | 35.4 | Very low | 37.5 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 165.8 | 179.9 | -52.9 | 153.6 | 102.9 | 0 | 0 | 112.9 | T63 | T63-E65 PolarHBondContact O-N 2.88Š|
| 66 | A | 35.7 | Very low | 37 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | -158.2 | 131.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 67 | E | 34.5 | Very low | 36.9 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -93.9 | 164.7 | -167.8 | -58.4 | -176.2 | 99.1 | 0 | 0 | 115.5 | ||||
| 68 | T | 44.4 | Very low | 36.1 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -62.2 | 176.8 | 151.5 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 69 | P | 54.5 | Low | 36.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | cis | -151.5 | -156.5 | 27.9 | 33.2 | -4.7 | 0 | 0 | 0 | 116.3 | ||||
| 70 | I | 28.8 | Very low | 36.1 | Very low | 140 Ų | 140 | 137 Ų | 137 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 118.6 | 117.3 | 149.9 | -63.5 | 164.2 | 0 | 0 | 0 | 117.3 | ||||
| 71 | Q | 27.9 | Very low | 35.8 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | 45.9 | 132.9 | 150.1 | -69.2 | 174.8 | -29.6 | 0 | 0 | 123.1 | ||||
| 72 | S | 33.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -86.2 | 178.4 | 151.8 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 73 | P | 50.5 | Low | 34.8 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | cis | -133.1 | 172.9 | 3.3 | 43.3 | -28.3 | 0 | 0 | 0 | 115.3 | ||||
| 74 | F | 25.1 | Very low | 34 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | 166.4 | 157.1 | 144.3 | -92.8 | -69 | 0 | 0 | 0 | 107.7 | ||||
| 75 | K | 29.8 | Very low | 32.8 | Very low | 139 Ų | 139 | 132 Ų | 132 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | -179.8 | 141.5 | -50.8 | 177.2 | 175 | 173.1 | -93.8 | 0 | 105.4 | |||||
| 76 | E | 26.7 | Very low | 32.5 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | 63.2 | 147.7 | 177.3 | -78.3 | 141.9 | 171.2 | 0 | 0 | 114.4 | ||||
| 77 | S | 26.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -160.8 | 176 | -5.8 | 57.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 78 | C | 25.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | -156.4 | 149.4 | -2.4 | -140.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 79 | D | 32.7 | Very low | 32 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -92.3 | 148.9 | 144.4 | -158.9 | -16.4 | 0 | 0 | 0 | 106.3 | ||||
| 80 | P | 37.9 | Very low | 31 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -145.1 | 151.5 | 111 | 37.4 | -23.3 | 0 | 0 | 0 | 116.3 | |||||
| 81 | S | 32.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -60.3 | -176.5 | 165 | -35.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 82 | L | 27.1 | Very low | 31.3 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 94% | 0.942 | 75% | 0.751 | S | S | * | * | trans | 87.9 | 140 | -179.6 | -51.2 | 167.9 | 0 | 0 | 0 | 113.9 | ||||
| 83 | G | 23.2 | Very low | 31.1 | Very low | 56 Ų | 56 | 125 Ų | 125 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | cis | 150.7 | 140.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 84 | L | 29.2 | Very low | 30.3 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | trans | 64 | 148.9 | -174.2 | -55 | 102.4 | 0 | 0 | 0 | 113.9 | ||||
| 85 | A | 28.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | cis | -144.5 | 164.5 | 16.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 86 | G | 28.6 | Very low | 30.7 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -84.5 | -151.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 87 | P | 42.7 | Very low | 31.1 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | cis | -140 | 165 | 17 | 41.6 | -24.1 | 0 | 0 | 0 | 117.6 | ||||
| 88 | G | 27.7 | Very low | 31.2 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 109.9 | 146.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 89 | A | 34.6 | Very low | 31.8 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | cis | -165.4 | 139.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 90 | K | 33 | Very low | 31.5 | Very low | 198 Ų | 198 | 127.9 Ų | 127.9 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 146.9 | 149.2 | -66.2 | 166 | -173.6 | -178.9 | 0 | 116.9 | ||||
| 91 | S | 31.3 | Very low | 31 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -164.1 | 160.9 | -1.8 | -103.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 92 | Q | 31.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | cis | 178.5 | 134 | -10.1 | 163 | 171.6 | -2.2 | 0 | 0 | 110.7 | ||||
| 93 | E | 28.4 | Very low | 30.7 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | 51.7 | 159.9 | 152.1 | -71.7 | 174.1 | 117 | 0 | 0 | 120.8 | ||||
| 94 | S | 34.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -164.3 | 166.1 | -1.1 | 27.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 95 | Q | 30.1 | Very low | 30.7 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -165.4 | 172.6 | -19 | 179 | 163.8 | 4.9 | 0 | 0 | 109.5 | ||||
| 96 | E | 31.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | trans | -48.8 | 162.8 | 171.4 | -57.3 | 122.2 | 162.1 | 0 | 0 | 115.4 | ||||
| 97 | A | 35.4 | Very low | 30.9 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | cis | 88.1 | 119.4 | 19.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 98 | D | 29.6 | Very low | 30 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -170.7 | 126.9 | 159.7 | -99.7 | -19.6 | 0 | 0 | 0 | 104.2 | ||||
| 99 | E | 37.4 | Very low | 30 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | 81.3 | 100.8 | 57.3 | -72 | -143.9 | -176.9 | 0 | 0 | 115.5 | |||||
| 100 | E | 27 | Very low | 29.6 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -166.2 | 136.3 | 138.5 | -105.6 | -157 | 131.3 | 0 | 0 | 113.6 | ||||
| 101 | L | 26.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | 54.8 | 108.3 | 143 | -59.3 | -178.6 | 0 | 0 | 0 | 124.4 | ||||
| 102 | V | 25.8 | Very low | 29 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | 63.7 | 140.7 | 108.4 | 170.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 103 | A | 27.2 | Very low | 28.7 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | 83.6 | 112.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 104 | E | 26 | Very low | 28.5 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | 72.1 | 143.1 | 107.7 | -150.5 | 171.4 | 165.2 | 0 | 0 | 122 | |||||
| 105 | V | 26.9 | Very low | 28.1 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -87 | 135.3 | 176.3 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 106 | V | 30.2 | Very low | 28.1 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -162.4 | 159.7 | 143 | 126.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 107 | E | 29.9 | Very low | 28.6 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | -48.8 | 158 | -169.7 | -52.8 | 178.5 | 98.5 | 0 | 0 | 118.4 | ||||
| 108 | K | 25.3 | Very low | 28.4 | Very low | 213 Ų | 213 | 144.9 Ų | 144.9 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -149.1 | 98 | 140.3 | -122.7 | 159.5 | -169 | 158.5 | 0 | 113.2 | ||||
| 109 | C | 26.5 | Very low | 28.3 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | trans | -80.1 | 135.3 | 172.8 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 110 | S | 26.4 | Very low | 28 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | 175.3 | 138.5 | 128 | -79.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 111 | S | 28.2 | Very low | 27.9 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -86.1 | 159.5 | 172.3 | 52.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 112 | K | 23.6 | Very low | 28.3 | Very low | 205 Ų | 205 | 144.6 Ų | 144.6 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -148.4 | 127.4 | 164.9 | -163.9 | 163.6 | -175.4 | 173.4 | 0 | 112.2 | ||||
| 113 | T | 25.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -79.1 | 161.7 | 173.7 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 114 | C | 23.4 | Very low | 29.5 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -120.6 | 144.6 | 173.9 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 115 | S | 28.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -115.7 | 162.6 | -173.2 | -59 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 116 | K | 28.8 | Very low | 29.5 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -102.7 | 149.6 | -173.6 | -146.6 | -172.4 | -175 | -176.5 | 0 | 112.6 | ||||
| 117 | P | 43.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -81.1 | 172.7 | 155.3 | -12.9 | 30.4 | 0 | 0 | 0 | 112.7 | ||||
| 118 | S | 31.2 | Very low | 29.3 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -161.4 | 146.4 | 171.4 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 119 | E | 26.7 | Very low | 29.6 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -136.7 | 120.5 | 170.2 | -86.9 | -164.6 | 114.1 | 0 | 0 | 113 | ||||
| 120 | N | 30.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | 57.9 | 150.4 | 134.1 | -63.4 | -22.3 | 0 | 0 | 0 | 126 | ||||
| 121 | E | 26.8 | Very low | 30.1 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 80.7 | 156 | 163.9 | -65.6 | -161.1 | 128.1 | 0 | 0 | 121.9 | ||||
| 122 | V | 33.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -172.7 | 155.6 | -138.3 | 150.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 123 | P | 48.1 | Very low | 30.6 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -136.6 | -175.1 | 18.5 | 29.2 | -4.2 | 0 | 0 | 0 | 116.9 | ||||
| 124 | Q | 30.9 | Very low | 30.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | 125.2 | 115.3 | 112.3 | -134.6 | 163.9 | 32.8 | 0 | 0 | 119.6 | |||||
| 125 | Q | 27.6 | Very low | 31 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 61.2 | 153.6 | 147 | -77.2 | 168.6 | 2.3 | 0 | 0 | 119.4 | ||||
| 126 | T | 24.1 | Very low | 31 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | cis | -142.8 | 145.2 | 2.4 | 4.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 127 | I | 29.4 | Very low | 30.8 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | 44.7 | 127.4 | 94.9 | -53.8 | 179.4 | 0 | 0 | 0 | 112.9 | |||||
| 128 | D | 27.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -117.1 | -142.7 | 16.2 | -158.3 | 38.3 | 0 | 0 | 0 | 111.1 | ||||
| 129 | S | 31.7 | Very low | 30.8 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | cis | -158.4 | -166.1 | 0.4 | -153.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 130 | H | 32.2 | Very low | 31 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -129.2 | 139.3 | -161.5 | -82.4 | -81.7 | 0 | 0 | 0 | 118 | ||||
| 131 | S | 31.2 | Very low | 31.1 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | -168.2 | 107.9 | 127 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 132 | V | 30.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | 58.3 | 115.7 | 83 | 179.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 133 | K | 32.3 | Very low | 31.3 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | cis | -154.6 | 160.7 | 20.5 | -137.3 | 163.1 | -167.6 | 172.6 | 0 | 113.8 | ||||
| 134 | N | 30.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -74.2 | 164.5 | 178.5 | -52.2 | -19.6 | 0 | 0 | 0 | 112.4 | ||||
| 135 | F | 26.8 | Very low | 30.8 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 77% | 0.768 | 73% | 0.729 | S | S | * | * | -165.8 | 139.6 | 62.3 | -95.6 | -90.8 | 0 | 0 | 0 | 109.6 | |||||
| 136 | K | 28.1 | Very low | 31.2 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 70% | 0.7 | 74% | 0.735 | S | S | * | * | 72.8 | 130.5 | 87.1 | -164.6 | -171.6 | 178.8 | -175.7 | 0 | 113.8 | |||||
| 137 | E | 25.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | cis | -168.4 | 170.3 | -4.6 | 171.1 | 169.9 | -121.3 | 0 | 0 | 110.6 | ||||
| 138 | E | 29.1 | Very low | 31.7 | Very low | 152 Ų | 152 | 144 Ų | 144 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | trans | -44.6 | 168.2 | 167.6 | -83.1 | -75.5 | 124.2 | 0 | 0 | 115.7 | ||||
| 139 | P | 44.3 | Very low | 31.8 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | cis | -148.5 | 172.6 | 35.1 | 44.6 | -24.3 | 0 | 0 | 0 | 121 | ||||
| 140 | E | 30.5 | Very low | 31.8 | Very low | 150 Ų | 150 | 150 Ų | 150 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 29.8 | 151.9 | 134.9 | -61.1 | -169.7 | 131.2 | 0 | 0 | 121.6 | ||||
| 141 | H | 32.7 | Very low | 32.3 | Very low | 151 Ų | 151 | 148 Ų | 148 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | cis | -167 | 171.2 | 7.8 | -125.9 | 70.1 | 0 | 0 | 0 | 105.1 | ||||
| 142 | D | 32.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | cis | -172.2 | -162 | -25.2 | 176.9 | 41.2 | 0 | 0 | 0 | 107 | ||||
| 143 | F | 31.5 | Very low | 32.3 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 100.7 | 89.5 | 163.1 | -64.3 | -73.8 | 0 | 0 | 0 | 119.3 | ||||
| 144 | S | 33.6 | Very low | 32.3 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 10.5 | 120.4 | 129.2 | -65.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 145 | K | 36.8 | Very low | 32.3 | Very low | 209 Ų | 209 | 153.8 Ų | 153.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | -167.7 | 124.6 | 123.4 | -107.8 | 159.4 | -173.1 | 171.8 | 0 | 113.1 | |||||
| 146 | I | 35.7 | Very low | 32.6 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -83.1 | 130.9 | 167.2 | -63.9 | 165.8 | 0 | 0 | 0 | 107.7 | ||||
| 147 | S | 30.9 | Very low | 32.7 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -119.4 | 137.5 | 176.9 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | V149 | S147-V149 PolarHBondContact O-N 2.8Š| ||
| 148 | I | 31.7 | Very low | 33.1 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -86.6 | 112 | -174.9 | -63.5 | 169.2 | 0 | 0 | 0 | 109.3 | ||||
| 149 | V | 29.8 | Very low | 33.1 | Very low | 130 Ų | 130 | 154 Ų | 154 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81 | 123.6 | 171.6 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | S147 | S147-V149 PolarHBondContact O-N 2.8Š|
| 150 | R | 31.2 | Very low | 32.5 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 153.2 | 163.1 | -100.2 | -171.8 | 174 | 176.7 | -0.1 | 110.4 | ||
| 151 | P | 43.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 155.3 Ų | 155.3 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 163.8 | -165.2 | 32.3 | -37 | 0 | 0 | 0 | 114.2 | ||
| 152 | F | 29.9 | Very low | 32.3 | Very low | 197 Ų | 197 | 154.9 Ų | 154.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.5 | -177.9 | -61.5 | -94.6 | 0 | 0 | 0 | 113.8 | ||
| 153 | S | 31 | Very low | 32.1 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 136.2 | 156.6 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 154 | I | 33.3 | Very low | 32 | Very low | 171 Ų | 171 | 151 Ų | 151 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -87.9 | 114.3 | 169.6 | -64.2 | 173.8 | 0 | 0 | 0 | 107.8 | ||||
| 155 | E | 29.8 | Very low | 31.9 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -101.1 | 133.4 | 178.6 | -166.2 | 164.1 | -130.6 | 0 | 0 | 110.9 | ||||
| 156 | T | 32.4 | Very low | 31.5 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | -70.3 | 134.2 | -175.3 | 44.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 157 | R | 31.3 | Very low | 31.2 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -111 | 96.5 | 177.4 | -67.3 | -169 | 177.6 | -157.3 | -1.8 | 112.4 | ||||
| 158 | D | 33.9 | Very low | 31.4 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -92.9 | 132.1 | 150.1 | -76.3 | -48.6 | 0 | 0 | 0 | 108.6 | ||||
| 159 | S | 29.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -164.9 | 130.3 | 165.3 | -81.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 160 | T | 30 | Very low | 31.6 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -126.2 | 97.2 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 161 | D | 30.3 | Very low | 31.6 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | 75.6 | 165.2 | 140.6 | -150.4 | 3.1 | 0 | 0 | 0 | 120.6 | ||||
| 162 | I | 30.2 | Very low | 31.1 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 73% | 0.728 | 82% | 0.821 | S | S | * | * | trans | 83.5 | 83.4 | 165.1 | -46 | -177.5 | 0 | 0 | 0 | 119.1 | ||||
| 163 | S | 28.5 | Very low | 31.1 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | 42.2 | 124.9 | 117.8 | -56.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 164 | A | 29 | Very low | 31 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | 156.9 | 160.5 | 125.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 165 | A | 31.8 | Very low | 30.8 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | cis | -169.8 | 149.6 | -35.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 166 | L | 28.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | 62.8 | 153.3 | 174.6 | -80.3 | 67.2 | 0 | 0 | 0 | 117.1 | ||||
| 167 | G | 28.3 | Very low | 30.9 | Very low | 57 Ų | 57 | 130.9 Ų | 130.9 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | cis | 167.4 | 160.8 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 168 | T | 35.3 | Very low | 30.9 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | trans | 70.8 | 154.8 | -179.2 | 81.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 169 | K | 32.2 | Very low | 30.7 | Very low | 202 Ų | 202 | 123.6 Ų | 123.6 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | cis | -143.7 | 150.9 | 12.9 | -175.6 | 178.2 | 177.7 | -178.3 | 0 | 111.2 | ||||
| 170 | A | 32.8 | Very low | 30.7 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -94.5 | 160.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 171 | A | 32.8 | Very low | 30.8 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -148.6 | 141.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 172 | H | 31.8 | Very low | 30.6 | Very low | 196 Ų | 196 | 122.6 Ų | 122.6 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -36.5 | 153.1 | 173.8 | -40.4 | -82.2 | 0 | 0 | 0 | 115.5 | ||||
| 173 | G | 29.5 | Very low | 30.7 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | cis | 135 | 169.8 | 21.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 174 | C | 29 | Very low | 31.9 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -170.3 | 176.6 | -8.2 | -167.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 175 | V | 29.8 | Very low | 31.7 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | 82.9 | 140.7 | 159.4 | 177.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 176 | T | 31.4 | Very low | 31.9 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | cis | -173.2 | 162 | -28 | -74.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 177 | A | 32.2 | Very low | 33.2 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 83.5 | 153.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 178 | V | 31.9 | Very low | 34.3 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | cis | -168.2 | 134.6 | -19.4 | 120.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 179 | S | 28.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | 165.4 | 143.8 | 90.3 | -150.6 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 180 | G | 29.7 | Very low | 33.7 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | 91 | 141.8 | 67.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 181 | K | 33.8 | Very low | 33.7 | Very low | 209 Ų | 209 | 122.3 Ų | 122.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | cis | -180 | 127.6 | -3.2 | 178.3 | 178.6 | -175.9 | 176.3 | 0 | 112 | ||||
| 182 | A | 25.8 | Very low | 33.5 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -167.7 | 155.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 183 | L | 32.2 | Very low | 33.3 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -167.5 | -176.6 | -177.8 | -99.2 | 169.5 | 0 | 0 | 0 | 108.1 | ||||
| 184 | P | 53.7 | Low | 33.4 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -140.3 | -172.6 | 6.7 | 43.5 | -24.5 | 0 | 0 | 0 | 118.2 | ||||
| 185 | S | 25 | Very low | 33.4 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 81.3 | 144.5 | 148.3 | 72.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 186 | S | 34.2 | Very low | 33.2 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -164.5 | -163.5 | -19.2 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 187 | P | 57.5 | Low | 33.7 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | -125.1 | -156.1 | -108.8 | 45.4 | -24.8 | 0 | 0 | 0 | 112.5 | |||||
| 188 | P | 50.7 | Low | 33.5 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | cis | -136.6 | -176.5 | -5.6 | 45.5 | -28.2 | 0 | 0 | 0 | 116.6 | ||||
| 189 | D | 27.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 61.2 | 152.2 | 152.3 | -57.4 | -26.6 | 0 | 0 | 0 | 122.2 | ||||
| 190 | A | 28.1 | Very low | 33.3 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -173.1 | 114.5 | -34 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 191 | L | 32 | Very low | 33.2 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -139.7 | 143.6 | 167.3 | -76.7 | 176.5 | 0 | 0 | 0 | 109.9 | ||||
| 192 | Q | 29 | Very low | 32.7 | Very low | 202 Ų | 202 | 129.6 Ų | 129.6 | 94% | 0.944 | 78% | 0.779 | S | S | * | * | trans | -106.9 | 170.3 | -175.5 | -68.6 | -175.9 | -6.7 | 0 | 0 | 111.8 | ||||
| 193 | D | 27.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -113.9 | 170.9 | -173 | -160.6 | 6.7 | 0 | 0 | 0 | 111.6 | ||||
| 194 | E | 31.8 | Very low | 32.5 | Very low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 61.1 | 103.9 | 160.8 | -76.5 | -88.2 | 85.3 | 0 | 0 | 120.4 | ||||
| 195 | A | 28.6 | Very low | 31.2 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | 83.6 | 146.5 | 116.2 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 196 | M | 27 | Very low | 31.3 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | trans | 63.3 | 110.2 | 157.6 | -64.8 | -58.7 | 174.9 | 0 | 0 | 122.5 | ||||
| 197 | T | 41.1 | Very low | 31.7 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 17.4 | 119.6 | 135.9 | 58.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 198 | E | 27.4 | Very low | 30.6 | Very low | 203 Ų | 203 | 134 Ų | 134 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | trans | -140.3 | 170.3 | 142.6 | -170.2 | 165.8 | -145.8 | 0 | 0 | 108.7 | ||||
| 199 | G | 28.5 | Very low | 29.6 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -169.9 | -173.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 200 | S | 28 | Very low | 29.6 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 86.3 | 123.1 | 174.4 | -151.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 201 | M | 27.4 | Very low | 29.9 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 66.3 | 145.5 | 166.6 | -57.2 | 177.4 | -76.7 | 0 | 0 | 117 | ||||
| 202 | G | 24.8 | Very low | 29.5 | Very low | 63 Ų | 63 | 134.5 Ų | 134.5 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | 171.4 | -174 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 203 | V | 26.6 | Very low | 29.7 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 73 | 130.1 | 174.8 | -163.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 204 | T | 26.3 | Very low | 29.9 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | cis | -142.2 | 176.2 | 47.3 | -41.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 205 | L | 26.6 | Very low | 29.9 | Very low | 161 Ų | 161 | 132 Ų | 132 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -97.9 | 151.7 | -158.5 | -65.2 | 159.5 | 0 | 0 | 0 | 116.9 | ||||
| 206 | E | 27.4 | Very low | 29.9 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | -12.5 | 161.4 | 141 | -82.4 | -69 | 113.6 | 0 | 0 | 119 | S208 | E206-S208 PolarHBondContact OE2-N 2.88Å; E206-S208 VanDerWaalsContact OE2-N 3.1Å | ||
| 207 | P | 43.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -144.2 | 151.1 | 32.3 | 35.7 | -13.4 | 0 | 0 | 0 | 122.4 | ||||
| 208 | S | 33.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | 67.5 | 152.7 | 143.3 | -60.3 | 0 | 0 | 0 | 0 | 120.4 | E206 | E206-S208 PolarHBondContact OE2-N 2.88Å; E206-S208 VanDerWaalsContact OE2-N 3.1Å | ||
| 209 | T | 30.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | cis | -143.8 | 153.2 | 23.3 | 47.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 210 | E | 26.7 | Very low | 29.8 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 80.5 | 91 | 141 | -157.7 | 157.4 | -149.1 | 0 | 0 | 123.9 | ||||
| 211 | A | 34.4 | Very low | 29.8 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | 35.4 | 129.6 | 130.8 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 212 | S | 24.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | -161.9 | 167.8 | 110.4 | -161.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 213 | L | 33.5 | Very low | 30.3 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -118.7 | 174.4 | -171.5 | -58 | 169.8 | 0 | 0 | 0 | 111 | ||||
| 214 | K | 30.1 | Very low | 31 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | cis | -157.7 | 165.9 | 14.2 | -156.8 | 170.8 | 179.3 | 177 | 0 | 110.9 | ||||
| 215 | A | 32.9 | Very low | 31 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -101.4 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 216 | G | 27.1 | Very low | 31 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 161 | 138.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 217 | N | 26.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -93.6 | 175.5 | 177.8 | -74.9 | -10.9 | 0 | 0 | 0 | 113.3 | ||||
| 218 | S | 28 | Very low | 30.5 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 108.2 | 151.7 | 156.2 | 77.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 219 | C | 32.1 | Very low | 30.3 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -78 | 156.6 | -174.6 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 220 | P | 37 | Very low | 30.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | -146.6 | 166.3 | 110.1 | 38.7 | -25.2 | 0 | 0 | 0 | 115.4 | |||||
| 221 | E | 26.2 | Very low | 30.8 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -87.4 | 140.4 | 158.6 | -157.2 | -155 | 135.6 | 0 | 0 | 109.2 | V223 | E221-V223 WeakPolarHBondContact OE1-CG2 3.09Š| ||
| 222 | P | 33.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | -151.3 | 163.8 | 108.7 | 36.6 | -18.6 | 0 | 0 | 0 | 116.4 | |||||
| 223 | V | 29.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 70% | 0.697 | 81% | 0.813 | S | S | * | * | trans | -102.2 | 137.4 | -177.6 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | E221 | E221-V223 WeakPolarHBondContact OE1-CG2 3.09Š| ||
| 224 | P | 41.1 | Very low | 31.4 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -158.3 | 137.5 | 108.8 | 36.9 | -15.6 | 0 | 0 | 0 | 120.7 | |||||
| 225 | S | 25.3 | Very low | 31.5 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 65.5 | 122.6 | 135.3 | -68.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 226 | R | 27.3 | Very low | 31.3 | Very low | 246 Ų | 246 | 148.8 Ų | 148.8 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | -171.3 | 102.7 | 101.4 | -100.3 | 173.7 | -166.8 | -104.9 | 1.2 | 117 | |||||
| 227 | R | 30 | Very low | 32.4 | Very low | 246 Ų | 246 | 149.8 Ų | 149.8 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | 3.7 | 138.5 | 148.6 | -60 | 178.9 | 175.2 | -163.6 | -1.3 | 122.2 | ||||
| 228 | S | 30.8 | Very low | 32.3 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | -157.5 | 134 | 107.9 | 80.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 229 | K | 29.7 | Very low | 32.5 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | 64.5 | 137.2 | 112 | -62.2 | 178 | -174.8 | 175.2 | 0 | 115.2 | |||||
| 230 | L | 32 | Very low | 32.7 | Very low | 148 Ų | 148 | 158.7 Ų | 158.7 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | cis | -156 | 138.5 | 16.8 | -164.1 | 69.9 | 0 | 0 | 0 | 115.1 | ||||
| 231 | R | 34.9 | Very low | 32.5 | Very low | 235 Ų | 235 | 160.9 Ų | 160.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 22.6 | 142.6 | 155.9 | -63.5 | -172.7 | 170.8 | -164.1 | -2.9 | 125.3 | ||||
| 232 | K | 36.3 | Very low | 32.6 | Very low | 198 Ų | 198 | 156.8 Ų | 156.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -71 | 160.2 | 162.3 | -43 | 175.3 | 179.3 | -174 | 0 | 114.2 | ||||
| 233 | P | 32.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 158.7 Ų | 158.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 172.1 | 149.2 | 35.7 | -33 | 0 | 0 | 0 | 112.6 | ||||
| 234 | K | 36.5 | Very low | 32.3 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -159.4 | 142.1 | -176.6 | 172.6 | -178.5 | 177.5 | 179.1 | 0 | 110.7 | V236 | K234-V236 HydrophobicContact CD-CG2 4.4Å; K234-V236 HydrophobicContact CG-CG2 4.16Å | ||
| 235 | P | 31.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 154.4 Ų | 154.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -122.9 | 123.9 | 160.4 | 35.3 | -23.2 | 0 | 0 | 0 | 113.6 | ||||
| 236 | V | 29.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 156.9 Ų | 156.9 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | trans | -162.2 | 144.6 | 165.6 | -149.6 | 0 | 0 | 0 | 0 | 103.8 | K234 | K234-V236 HydrophobicContact CD-CG2 4.4Å; K234-V236 HydrophobicContact CG-CG2 4.16Å | ||
| 237 | P | 48.4 | Very low | 31.3 | Very low | 95 Ų | 95 | 153.7 Ų | 153.7 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | cis | -141.8 | 167.8 | 23.2 | 43.6 | -26.5 | 0 | 0 | 0 | 118.5 | ||||
| 238 | L | 25.9 | Very low | 31.2 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -171.3 | 120.7 | 132.6 | -92.6 | 143 | 0 | 0 | 0 | 105.2 | ||||
| 239 | R | 32 | Very low | 30.9 | Very low | 226 Ų | 226 | 147.9 Ų | 147.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 64.3 | 127.4 | 53.1 | -69 | -175.7 | 162.2 | -162.7 | -4.3 | 112.5 | |||||
| 240 | K | 37.1 | Very low | 30.9 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | cis | -102.3 | -142 | -8.7 | -58.8 | 179.7 | -175 | 177.3 | 0 | 108.9 | ||||
| 241 | K | 31.7 | Very low | 30.6 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | -157.8 | 121.6 | -16.7 | -177.9 | -87.6 | -177.1 | -170.3 | 0 | 104.4 | I243 | K241-I243 WeakPolarHBondContact CE-O 3.47Å; K241-I243 PolarHBondContact NZ-O 3.42Å | ||
| 242 | A | 28.7 | Very low | 30.3 | Very low | 74 Ų | 74 | 138 Ų | 138 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | cis | 84 | 127.3 | 14.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 243 | I | 31 | Very low | 29.9 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | 70.1 | 133.8 | 173.9 | -49.8 | 149.1 | 0 | 0 | 0 | 113.8 | K241 | K241-I243 WeakPolarHBondContact CE-O 3.47Å; K241-I243 PolarHBondContact NZ-O 3.42Å | ||
| 244 | G | 25.6 | Very low | 29.8 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | cis | -147.3 | -169.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 245 | G | 25.2 | Very low | 29.3 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | cis | 135.2 | 92.4 | 7.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 246 | E | 24.9 | Very low | 29 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 70.4 | 114.1 | 133.2 | -68.5 | 177 | 139.4 | 0 | 0 | 122 | ||||
| 247 | F | 23.7 | Very low | 29.1 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 67.8 | 174.3 | 146.7 | -31.2 | -50.2 | 0 | 0 | 0 | 118.6 | ||||
| 248 | S | 26.3 | Very low | 28.5 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 58% | 0.58 | 78% | 0.779 | S | S | * | * | cis | -159.9 | 147.9 | 9.6 | -131.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 249 | D | 26.3 | Very low | 28.7 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 51.7 | -177.3 | 146.5 | -42.2 | -41.7 | 0 | 0 | 0 | 119.7 | ||||
| 250 | T | 29.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | cis | -150.8 | 165.2 | 2 | 36.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 251 | D | 25.8 | Very low | 28.1 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | cis | -176.2 | 152.8 | -23.6 | 171.4 | 39.3 | 0 | 0 | 0 | 106.8 | ||||
| 252 | A | 27.7 | Very low | 27.8 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -159.3 | 54 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 253 | A | 27.2 | Very low | 27.6 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 65.7 | 148.8 | 141 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 254 | A | 31.8 | Very low | 27.4 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 80.8 | 68.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 255 | E | 25.4 | Very low | 27.4 | Very low | 206 Ų | 206 | 132 Ų | 132 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | 52.1 | 123.1 | 116.6 | -165.6 | 164.8 | -128.6 | 0 | 0 | 121.9 | |||||
| 256 | G | 26.1 | Very low | 27.3 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 165.7 | 70.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 257 | T | 29.9 | Very low | 27.6 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -98.7 | 152.5 | 173.4 | -4.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 258 | P | 36.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | -148 | -179.1 | 77.8 | 38.9 | -19.3 | 0 | 0 | 0 | 116.6 | |||||
| 259 | L | 30.5 | Very low | 28.5 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 154.9 | 178.2 | -138.7 | 85.4 | 0 | 0 | 0 | 112.1 | K261 | L259-K261 HydrophobicContact CD2-CB 4.34Š| ||
| 260 | P | 30.7 | Very low | 28.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -143.1 | 164.7 | 104.7 | 37.9 | -24.2 | 0 | 0 | 0 | 113.4 | |||||
| 261 | K | 25.8 | Very low | 29 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | cis | 103.1 | 73.7 | 10.3 | -155.5 | -177.6 | -173 | -176.2 | 0 | 117.5 | L259 | L259-K261 HydrophobicContact CD2-CB 4.34Š| ||
| 262 | A | 25 | Very low | 29.2 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -160.5 | 145.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 263 | S | 24.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | 79.3 | 102.3 | 11.8 | -172.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 264 | Y | 26.1 | Very low | 29.5 | Very low | 230 Ų | 230 | 141.9 Ų | 141.9 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -158.2 | 136.3 | 138.3 | -119.8 | -78.6 | 0 | 0 | 0 | 113.3 | ||||
| 265 | H | 26.3 | Very low | 29.4 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | trans | -96 | 154.2 | 173 | 146.6 | 46.5 | 0 | 0 | 0 | 114.3 | ||||
| 266 | F | 24.1 | Very low | 29.5 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 87.8 | 148.2 | 147.5 | -85.6 | -67.6 | 0 | 0 | 0 | 122.3 | ||||
| 267 | S | 30 | Very low | 30.2 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -102.7 | -162.1 | 177.1 | -23.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 268 | P | 39.4 | Very low | 30 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -134.1 | -146.2 | -13.6 | 23 | 5.4 | 0 | 0 | 0 | 112.6 | ||||
| 269 | E | 30.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 87.1 | 153 | 163.1 | -90.8 | 70.2 | -95.2 | 0 | 0 | 123.4 | ||||
| 270 | E | 34.8 | Very low | 29.6 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 67.9 | 153.3 | 170.8 | -64.1 | 179.6 | -164.2 | 0 | 0 | 120.7 | ||||
| 271 | L | 32.1 | Very low | 29.4 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | cis | -162.8 | 166.1 | -48.1 | -156.8 | 68.6 | 0 | 0 | 0 | 109.4 | ||||
| 272 | D | 29.6 | Very low | 29.5 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 62.9 | 134.8 | 171.3 | -72.4 | 1.7 | 0 | 0 | 0 | 117.7 | ||||
| 273 | E | 31.1 | Very low | 30 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 70.2 | 140.1 | 56.9 | -79.1 | -147 | 175 | 0 | 0 | 114.2 | |||||
| 274 | N | 30.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | cis | -161.4 | 159.4 | -9.4 | 47.3 | 36.5 | 0 | 0 | 0 | 110 | ||||
| 275 | T | 27.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -164.7 | 123.1 | 154.9 | -60.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 276 | S | 28.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -151.4 | 132.1 | 155.1 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 277 | P | 41.2 | Very low | 30.9 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -92.9 | 168.2 | -169.4 | 36.1 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 278 | S | 24.6 | Very low | 31 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 93.3 | 133.7 | -176.8 | -45.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 279 | S | 27.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -156 | 171.1 | 5.4 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 280 | L | 31.6 | Very low | 32.9 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | 71.6 | 137.9 | 162.7 | -142.7 | 72 | 0 | 0 | 0 | 116.7 | ||||
| 281 | G | 26.5 | Very low | 32.6 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | 160.4 | 114 | -14.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 282 | G | 28.3 | Very low | 32.5 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 115.7 | 113.7 | 158 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 283 | A | 34.7 | Very low | 32.6 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | 51.8 | 152.1 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 284 | M | 28.4 | Very low | 32.4 | Very low | 158 Ų | 158 | 128 Ų | 128 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | cis | -160.6 | 160.1 | 10.7 | -154.5 | -169 | 175.4 | 0 | 0 | 110.6 | ||||
| 285 | L | 32.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | 67.3 | 162.6 | 165.4 | -52.1 | 175.1 | 0 | 0 | 0 | 117.7 | ||||
| 286 | Q | 30.8 | Very low | 33 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | -167 | 148.9 | -50.1 | -154 | -169.7 | 63.1 | 0 | 0 | 108.4 | |||||
| 287 | K | 28.8 | Very low | 32.9 | Very low | 186 Ų | 186 | 125.1 Ų | 125.1 | 81% | 0.809 | 76% | 0.759 | S | S | * | * | trans | 89.4 | 137.7 | 165.2 | -53.6 | -178.6 | -178.1 | -179.2 | 0 | 119 | ||||
| 288 | S | 30.8 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -134.2 | -165.8 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 289 | P | 51.7 | Low | 32.2 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -119.3 | -136 | -39.9 | 34.8 | -13.2 | 0 | 0 | 0 | 107.6 | ||||
| 290 | P | 58.9 | Low | 32.2 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -123.9 | -138.6 | -25 | 29.2 | -2.3 | 0 | 0 | 0 | 110.1 | ||||
| 291 | D | 27.3 | Very low | 32 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | cis | -166.6 | 173.3 | 1.8 | -139.5 | -27 | 0 | 0 | 0 | 114.9 | ||||
| 292 | L | 31.3 | Very low | 32 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | trans | 53.5 | 109.7 | 152.4 | -59.5 | -173.7 | 0 | 0 | 0 | 124.6 | ||||
| 293 | K | 30.8 | Very low | 32.2 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | 69.9 | 159.5 | 120.3 | -71.6 | -175.5 | 161.7 | -149 | 0 | 121 | |||||
| 294 | E | 26.6 | Very low | 32 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | cis | -146.3 | 164.9 | 4.2 | -141.4 | 153.3 | -153.3 | 0 | 0 | 113.7 | ||||
| 295 | T | 26.7 | Very low | 32 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -95.3 | -171.5 | 172.5 | 5.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 296 | P | 45.4 | Very low | 32 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | cis | -134.9 | -167.5 | -22.1 | 36.8 | -16.8 | 0 | 0 | 0 | 114 | ||||
| 297 | G | 25.9 | Very low | 31.8 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | trans | 99.7 | 123 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 298 | T | 26.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | cis | 76.3 | 107.1 | 24.5 | -41.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 299 | L | 25.5 | Very low | 32 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | 171 | 158.1 | 116 | -163.6 | 62.4 | 0 | 0 | 0 | 112.2 | |||||
| 300 | S | 27.9 | Very low | 31 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 69.6 | 159.8 | 159.1 | 72.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 301 | S | 26.7 | Very low | 29.5 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | -165.3 | 175.2 | -43.9 | -152.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 302 | D | 25.9 | Very low | 29.7 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 71.1 | 104.4 | 148.1 | -58.5 | -10.1 | 0 | 0 | 0 | 121.4 | ||||
| 303 | T | 32 | Very low | 29.4 | Very low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | 54.5 | 115.2 | 127.6 | 63.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 304 | N | 31.3 | Very low | 29.7 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | 75.8 | 138.4 | 121.1 | -60 | -14.7 | 0 | 0 | 0 | 123.1 | |||||
| 305 | D | 28.9 | Very low | 29.8 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 87.2 | 140.3 | 141 | -151.8 | 18.2 | 0 | 0 | 0 | 120.8 | ||||
| 306 | S | 32.4 | Very low | 30 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 40.1 | 137.3 | 164 | 70.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 307 | G | 26.9 | Very low | 29.6 | Very low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | 123.6 | 175.3 | 13.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 308 | V | 30.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 79.4 | 137.7 | 176.3 | -172 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 309 | E | 33.2 | Very low | 30.5 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -96.8 | -170.7 | -179.5 | -56.8 | 175.7 | 94.3 | 0 | 0 | 112.6 | ||||
| 310 | L | 29.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | 76.9 | 141.6 | 168.2 | -48.6 | 168.8 | 0 | 0 | 0 | 114.6 | ||||
| 311 | G | 28.8 | Very low | 31.1 | Very low | 59 Ų | 59 | 139.5 Ų | 139.5 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | 173 | -172.1 | -2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 312 | E | 30.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | 65.9 | 158 | 170.9 | -57.5 | -179.9 | 171.5 | 0 | 0 | 117.1 | ||||
| 313 | E | 26.8 | Very low | 31.2 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -156 | 144.4 | -38.2 | 178 | 166.7 | -167.7 | 0 | 0 | 110.9 | ||||
| 314 | S | 36.4 | Very low | 31.3 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | 25.6 | 131.2 | 156.4 | -56.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 315 | R | 28.5 | Very low | 31.2 | Very low | 237 Ų | 237 | 147.1 Ų | 147.1 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -157.6 | 112.4 | 133.4 | -120.8 | 169.5 | -110.4 | -150.3 | -2.5 | 116.8 | ||||
| 316 | S | 31 | Very low | 31.7 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 31.8 | 125.3 | 143 | 59.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 317 | L | 36.2 | Very low | 31.7 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -58.8 | 165.6 | 162.4 | -55.6 | 162.3 | 0 | 0 | 0 | 113.5 | ||||
| 318 | P | 43.4 | Very low | 32 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | -153.7 | 161.5 | 95.2 | 39.9 | -21.9 | 0 | 0 | 0 | 118.9 | |||||
| 319 | L | 28.9 | Very low | 32.2 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | 67.8 | 96.1 | 146.6 | -70.3 | 163.2 | 0 | 0 | 0 | 123.1 | ||||
| 320 | K | 29.3 | Very low | 32 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 60.2 | 108.8 | 104.9 | -170.1 | -176.9 | -176.6 | 178.9 | 0 | 121.1 | |||||
| 321 | L | 36.9 | Very low | 32.1 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -155.4 | 150.8 | 131.7 | -164.1 | 60.2 | 0 | 0 | 0 | 111 | ||||
| 322 | E | 27.5 | Very low | 32.2 | Very low | 147 Ų | 147 | 151.7 Ų | 151.7 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -113.2 | 148.3 | -179.3 | -65.5 | 147.7 | 104.7 | 0 | 0 | 111 | ||||
| 323 | F | 26.5 | Very low | 32.2 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | -163.4 | 153.6 | 125 | -132.4 | -98 | 0 | 0 | 0 | 112.9 | |||||
| 324 | D | 35 | Very low | 32.4 | Very low | 128 Ų | 128 | 146 Ų | 146 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | trans | -89.4 | 168.3 | -169.2 | -69.4 | -71.1 | 0 | 0 | 0 | 115.8 | ||||
| 325 | F | 29.6 | Very low | 32.1 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | -162.1 | 105 | 113.2 | -103.3 | -70.4 | 0 | 0 | 0 | 112.6 | |||||
| 326 | T | 38.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | 47.5 | 154 | 135.7 | 60.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 327 | E | 32.4 | Very low | 32.1 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | cis | -144.1 | 153.9 | 8.2 | -146.7 | 168.2 | 174.9 | 0 | 0 | 113 | ||||
| 328 | D | 33.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 150 Ų | 150 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | -76 | 157.9 | -169.4 | 166.1 | 47.3 | 0 | 0 | 0 | 116.4 | G330 | D328-G330 PolarHBondContact OD1-N 3.46Š| ||
| 329 | M | 34 | Very low | 32.1 | Very low | 172 Ų | 172 | 150 Ų | 150 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -160.6 | 113.7 | 134.6 | -171 | 54.2 | 53.1 | 0 | 0 | 113.3 | ||||
| 330 | G | 29.4 | Very low | 32.4 | Very low | 62 Ų | 62 | 153.2 Ų | 153.2 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 88.1 | 75.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | D328 | D328-G330 PolarHBondContact OD1-N 3.46Š| ||
| 331 | N | 30.2 | Very low | 32.7 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -88 | 162.6 | 168.9 | -169.6 | -3.2 | 0 | 0 | 0 | 112.1 | ||||
| 332 | I | 32.2 | Very low | 32.5 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | trans | -164.6 | 143.2 | 141.9 | -102.6 | 153.2 | 0 | 0 | 0 | 113.2 | ||||
| 333 | E | 29.8 | Very low | 32.5 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -54.8 | -175.1 | -171.8 | -60.9 | -177.1 | 98.2 | 0 | 0 | 120.1 | ||||
| 334 | A | 30.2 | Very low | 32.9 | Very low | 78 Ų | 78 | 153.8 Ų | 153.8 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | 174.4 | 163.7 | -50.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 335 | R | 31.9 | Very low | 33.3 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 79.9 | 137.4 | 156.4 | -66.6 | 174.6 | 174.5 | 178.1 | -0.4 | 122.3 | ||||
| 336 | K | 30.4 | Very low | 34 | Very low | 197 Ų | 197 | 154.7 Ų | 154.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | 83.7 | 102.4 | 147.6 | -80.4 | -176.9 | 175.4 | -176.9 | 0 | 122.6 | ||||
| 337 | A | 29 | Very low | 33.5 | Very low | 98 Ų | 98 | 152.5 Ų | 152.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | 57.8 | 126.9 | 117 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 338 | L | 36.1 | Very low | 33.2 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 151 | 171.2 | -156.6 | 79.1 | 0 | 0 | 0 | 112.1 | ||||
| 339 | P | 42.3 | Very low | 33.1 | Very low | 115 Ų | 115 | 151.4 Ų | 151.4 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | -151.4 | 144.4 | 109.6 | 36.3 | -18.7 | 0 | 0 | 0 | 118.2 | |||||
| 340 | R | 35 | Very low | 33.3 | Very low | 222 Ų | 222 | 151.3 Ų | 151.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | 41.4 | 115.7 | 142.8 | -69.8 | -176.4 | 170.2 | -175.4 | -2 | 123.4 | ||||
| 341 | K | 35.7 | Very low | 33.7 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | 81.1 | 152.2 | 125.6 | -65.1 | -81.1 | -173.5 | 177.2 | 0 | 120.9 | |||||
| 342 | L | 32.1 | Very low | 33.8 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | 70.8 | 143.5 | 175.2 | -138.8 | 71.7 | 0 | 0 | 0 | 114.9 | ||||
| 343 | G | 28 | Very low | 33.6 | Very low | 63 Ų | 63 | 155.4 Ų | 155.4 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | cis | 156 | 146.6 | -15.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 344 | R | 35.5 | Very low | 33.6 | Very low | 254 Ų | 254 | 154.8 Ų | 154.8 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | 85.6 | 147.1 | 169 | -147.9 | -179.3 | -66.2 | -108.3 | 2.4 | 117.8 | ||||
| 345 | K | 43.8 | Very low | 33.5 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -87.6 | -172.2 | 170 | -58.3 | -174.5 | 178 | -177 | 0 | 109.8 | ||||
| 346 | P | 43.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 154.7 Ų | 154.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | cis | -150.4 | -168.3 | 10.9 | 46.2 | -24.5 | 0 | 0 | 0 | 118.6 | ||||
| 347 | G | 27.7 | Very low | 33.3 | Very low | 64 Ų | 64 | 151.8 Ų | 151.8 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 166.8 | 131.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 348 | S | 27.4 | Very low | 33.1 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | cis | 75 | 124.2 | 22.3 | 112.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 349 | K | 31.5 | Very low | 32.9 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | cis | -138.9 | 174.7 | 10.3 | -64.4 | 160.5 | -175.2 | 167 | 0 | 110.2 | ||||
| 350 | L | 37.3 | Very low | 32.2 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | -170 | 160.4 | 90.1 | -88.9 | 170.6 | 0 | 0 | 0 | 112.4 | |||||
| 351 | I | 37.1 | Very low | 32 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -142.7 | 135.7 | -180 | -56.7 | 170.6 | 0 | 0 | 0 | 109.6 | K353 | I351-K353 HydrophobicContact CG2-CB 4.15Š| ||
| 352 | P | 33.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -129 | 137.4 | 123 | 7.5 | 13.8 | 0 | 0 | 0 | 110.1 | |||||
| 353 | K | 27.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | 78.4 | 136.3 | 29.4 | -154.1 | -175.5 | -179.7 | -178.6 | 0 | 114.8 | I351 | I351-K353 HydrophobicContact CG2-CB 4.15Š| ||
| 354 | M | 29 | Very low | 31.1 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | 81.8 | 150 | 174.1 | -51.6 | -175.7 | 68.1 | 0 | 0 | 114.7 | ||||
| 355 | Q | 28.6 | Very low | 30.8 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -168.3 | 175.9 | -15 | -111.8 | -165.3 | -6.8 | 0 | 0 | 108.4 | ||||
| 356 | K | 30.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -168.4 | 146.3 | -6.3 | 162.1 | 177.9 | 175.7 | -175.6 | 0 | 110.4 | ||||
| 357 | D | 26.5 | Very low | 29.1 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 53.8 | 157.8 | 160 | -60.1 | -3.6 | 0 | 0 | 0 | 123 | ||||
| 358 | G | 26.1 | Very low | 29.8 | Very low | 78 Ų | 78 | 139.9 Ų | 139.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 175.5 | 57.1 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 359 | I | 31.5 | Very low | 29.6 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -55 | 137.7 | -174.6 | -76.7 | 159.8 | 0 | 0 | 0 | 116.6 | ||||
| 360 | S | 27.7 | Very low | 29.3 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 178.3 | 160.6 | 115.7 | 37.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 361 | K | 31.4 | Very low | 29.7 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -88.1 | 171.9 | -174.1 | -51.9 | 175.5 | 176.5 | 177.2 | 0 | 111.5 | ||||
| 362 | S | 25.2 | Very low | 29.6 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | cis | -142.9 | -170.7 | 12.7 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 363 | A | 26.2 | Very low | 29.5 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | cis | -148.6 | -168.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 364 | G | 24.6 | Very low | 29.5 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | cis | 101.6 | 133.4 | 2.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 365 | L | 28.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | cis | -164.6 | 145 | -7.2 | -179.6 | 58 | 0 | 0 | 0 | 112.1 | ||||
| 366 | E | 25.1 | Very low | 29.7 | Very low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 67.4 | 152.3 | 162.7 | -74.3 | -72.1 | 89.8 | 0 | 0 | 122.5 | ||||
| 367 | Q | 26.3 | Very low | 30 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -107.7 | -171.7 | 162.8 | -134.8 | -170.5 | -15.2 | 0 | 0 | 106.9 | ||||
| 368 | P | 43.5 | Very low | 30 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -119.5 | -164.6 | -31.9 | 41.6 | -27.1 | 0 | 0 | 0 | 110.8 | ||||
| 369 | T | 23.9 | Very low | 30 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | 164 | 138 | 128.3 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 370 | D | 25 | Very low | 29.7 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -108.8 | 160.7 | 175.5 | -175.4 | 31.7 | 0 | 0 | 0 | 109.3 | ||||
| 371 | P | 45.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | -157.3 | 141.5 | 102.9 | 37.5 | -17.3 | 0 | 0 | 0 | 118.7 | |||||
| 372 | V | 33.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 71.7 | 138.2 | 131 | 172.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 373 | A | 32.3 | Very low | 29.7 | Very low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | cis | -140.4 | 178.9 | 14.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 374 | R | 28.6 | Very low | 30 | Very low | 214 Ų | 214 | 132.6 Ų | 132.6 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | cis | -160.2 | 143 | 14.6 | -167.5 | 170.1 | -177 | 176.4 | 7.5 | 113.1 | ||||
| 375 | D | 29.6 | Very low | 30.5 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 34.2 | 133.9 | 154.6 | -48.6 | -27.5 | 0 | 0 | 0 | 123 | ||||
| 376 | G | 30.6 | Very low | 30.7 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -100.9 | -160.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 377 | P | 37.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | -153.5 | 156.9 | 77.5 | 40.9 | -22.1 | 0 | 0 | 0 | 119.6 | |||||
| 378 | L | 26.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | 45.8 | 113.1 | 136.6 | -59 | 172.8 | 0 | 0 | 0 | 124 | ||||
| 379 | S | 25.8 | Very low | 32.7 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 64.4 | 156.5 | 109.1 | -52.4 | 0 | 0 | 0 | 0 | 125 | |||||
| 380 | Q | 25.4 | Very low | 33.9 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 74.9 | 119 | 165.9 | -66.9 | -172.1 | 2 | 0 | 0 | 116.4 | ||||
| 381 | T | 24.8 | Very low | 34.6 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | cis | 87.2 | 137.1 | 49.4 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 382 | S | 29.3 | Very low | 34.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 74.4 | 138.5 | -171.1 | -148.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 383 | S | 31.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -142.9 | 172 | 36.4 | 54 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 384 | K | 32 | Very low | 35.4 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -34.3 | 151.6 | 179 | -59 | 174.2 | 175.7 | 179.2 | 0 | 117.6 | ||||
| 385 | L | 34.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -55.5 | 138.4 | 150.1 | -73.2 | 160.5 | 0 | 0 | 0 | 110.7 | ||||
| 386 | D | 34 | Very low | 36.6 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | trans | -121.8 | 109.3 | 164.1 | -172.8 | -23.2 | 0 | 0 | 0 | 108.1 | S388 | D386-S388 VanDerWaalsContact CG-OG 3.25Å; D386-S388 PolarHBondContact O-N 3.41Å; D386-S388 VanDerWaalsContact O-N 3.16Å; D386-S388 VanDerWaalsContact OD1-CB 3.26Å; D386-S388 WeakPolarHBondContact OD1-CB 3.22Å; D386-S388 PolarHBondContact OD1-N 3.5Å; D386-S388 VanDerWaalsContact OD1-N 3.1Å; D386-S388 PolarHBondContact OD1-OG 2.95Å; D386-S388 PolarHBondContact OD2-OG 3.23Å | ||
| 387 | P | 40.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -70.5 | 3 | -177.8 | -22.7 | 35.5 | 0 | 0 | 0 | 116.3 | Q389 | P387-Q389 PolarHBondContact O-N 3.19Š|
| 388 | S | 48.8 | Very low | 37.6 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -86.6 | 5.7 | -166.2 | 62.7 | 0 | 0 | 0 | 0 | 117.3 | D386 | D386-S388 VanDerWaalsContact CG-OG 3.25Å; D386-S388 PolarHBondContact O-N 3.41Å; D386-S388 VanDerWaalsContact O-N 3.16Å; D386-S388 VanDerWaalsContact OD1-CB 3.26Å; D386-S388 WeakPolarHBondContact OD1-CB 3.22Å; D386-S388 PolarHBondContact OD1-N 3.5Å; D386-S388 VanDerWaalsContact OD1-N 3.1Å; D386-S388 PolarHBondContact OD1-OG 2.95Å; D386-S388 PolarHBondContact OD2-OG 3.23Å |
| 389 | Q | 48.3 | Very low | 37.7 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -118.3 | 20.5 | -170.2 | -62.1 | -168.4 | 1.6 | 0 | 0 | 115.9 | P387 | P387-Q389 PolarHBondContact O-N 3.19Š|
| 390 | W | 47.9 | Very low | 38.1 | Very low | 251 Ų | 251 | 143.7 Ų | 143.7 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -94.9 | -6.7 | 178 | -80.3 | 21.1 | 0 | 0 | 0 | 114.6 | N392 | W390-N392 PolarHBondContact O-N 3.28Š| ||
| 391 | E | 40.8 | Very low | 38.6 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -90.5 | 80.8 | 169.5 | -67.1 | -170 | 162.7 | 0 | 0 | 111.4 | ||||
| 392 | N | 39.3 | Very low | 38.8 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -175.9 | 98.9 | 147.1 | -104 | -64.9 | 0 | 0 | 0 | 111.4 | W390 S394 | W390-N392 PolarHBondContact O-N 3.28Å; N392-S394 PolarHBondContact O-N 2.84Å; N392-S394 VanDerWaalsContact O-N 3.15Å | ||
| 393 | A | 42.8 | Very low | 39 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -87.4 | 75.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 394 | S | 46.3 | Very low | 39.3 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -174.8 | 48.9 | 159.5 | 44.2 | 0 | 0 | 0 | 0 | 115.7 | N392 | N392-S394 PolarHBondContact O-N 2.84Å; N392-S394 VanDerWaalsContact O-N 3.15Å | ||
| 395 | F | 37.8 | Very low | 39.4 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -133.6 | 119.1 | 166.5 | -118 | -92.5 | 0 | 0 | 0 | 112.6 | ||||
| 396 | N | 44.8 | Very low | 39.2 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -135.5 | 100.1 | 172.1 | -134.8 | -3 | 0 | 0 | 0 | 108.2 | ||||
| 397 | P | 48.8 | Very low | 39 | Very low | 82 Ų | 82 | 145 Ų | 145 | 53% | 0.532 | 80% | 0.797 | S | S | . | * | trans | -78.3 | 146.9 | 179.9 | 32.2 | -33.6 | 0 | 0 | 0 | 110.9 | ||||
| 398 | F | 38.9 | Very low | 38.6 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | 64.8 | 137 | -174.2 | -39.7 | -78.9 | 0 | 0 | 0 | 114.1 | ||||
| 399 | G | 30.2 | Very low | 37.6 | Very low | 69 Ų | 69 | 146.7 Ų | 146.7 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | 178.3 | 140.2 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 400 | S | 33.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -65.1 | 144.9 | -168.7 | -45.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 401 | H | 36.9 | Very low | 35.9 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | -161.5 | 156.6 | 127 | 44.9 | -74.6 | 0 | 0 | 0 | 111.2 | |||||
| 402 | S | 29.5 | Very low | 35.3 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -111.9 | 156.5 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 403 | I | 33.3 | Very low | 35 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -178.1 | 125.8 | 133.5 | -95.8 | 153.2 | 0 | 0 | 0 | 111.2 | ||||
| 404 | L | 36.4 | Very low | 34.4 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | 41.8 | 100.4 | 157.4 | -56.3 | 174.2 | 0 | 0 | 0 | 118.4 | ||||
| 405 | Q | 34.5 | Very low | 33.6 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | 62.6 | 107.6 | 85.6 | -73.4 | -167.1 | -17.5 | 0 | 0 | 116.1 | |||||
| 406 | N | 30.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -167.9 | 152.8 | 137.7 | -106.4 | -70.8 | 0 | 0 | 0 | 110.1 | ||||
| 407 | S | 29.1 | Very low | 33.1 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 69.6 | 124.6 | 178.3 | -54.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 408 | P | 32.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -96.4 | 163.6 | -179.8 | 38 | -35.4 | 0 | 0 | 0 | 114.1 | ||||
| 409 | S | 28 | Very low | 32.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -130.7 | 119.6 | 171.1 | 58 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 410 | L | 31.1 | Very low | 33.6 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | 11.2 | 116.2 | 160.4 | -54.5 | 177.4 | 0 | 0 | 0 | 119.6 | ||||
| 411 | S | 28.5 | Very low | 34.2 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -158.4 | 116.7 | 147.9 | -68.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 412 | S | 29.6 | Very low | 34.6 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 77.3 | 60.1 | 62.8 | 79.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 413 | E | 31.4 | Very low | 35.1 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | trans | -158.6 | 147.1 | 143.5 | -115.1 | 179.3 | 117 | 0 | 0 | 110.2 | ||||
| 414 | G | 30.5 | Very low | 35.6 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 163.7 | 52.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y416 | G414-Y416 PolarHBondContact O-N 3.45Š| ||
| 415 | S | 30.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -61.1 | 122.8 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 416 | Y | 32 | Very low | 36.7 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -102.2 | 98.6 | 174.4 | -155 | -92.8 | 0 | 0 | 0 | 109.1 | G414 F418 | G414-Y416 PolarHBondContact O-N 3.45Å; Y416-F418 PolarHBondContact O-N 2.82Å | ||
| 417 | H | 39.6 | Very low | 37.3 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 118.4 | 176.5 | -171.5 | -28.8 | 0 | 0 | 0 | 108.8 | ||||
| 418 | F | 39.1 | Very low | 38.1 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | trans | -80.7 | 127.4 | 168.5 | -135.2 | -90.2 | 0 | 0 | 0 | 108.3 | Y416 | Y416-F418 PolarHBondContact O-N 2.82Š| ||
| 419 | D | 42.6 | Very low | 38.7 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 58% | 0.578 | 75% | 0.752 | S | S | * | * | trans | -114.9 | 114.6 | 178.3 | -170 | -6.6 | 0 | 0 | 0 | 108.2 | D421 | D419-D421 VanDerWaalsContact C-N 3.34Å; D419-D421 PolarHBondContact O-N 3.3Å | ||
| 420 | P | 45.6 | Very low | 39.2 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -22.1 | -170.9 | -22.1 | 34.7 | 0 | 0 | 0 | 115.8 | N422 | P420-N422 PolarHBondContact O-N 2.93Š|
| 421 | D | 46.8 | Very low | 39.9 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 19.3 | -161.4 | -72 | -34.3 | 0 | 0 | 0 | 114.8 | D419 | D419-D421 VanDerWaalsContact C-N 3.34Å; D419-D421 PolarHBondContact O-N 3.3Å |
| 422 | N | 45.4 | Very low | 40.2 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -134.4 | 89.5 | 177.6 | -168.6 | 13.2 | 0 | 0 | 0 | 113.7 | P420 | P420-N422 PolarHBondContact O-N 2.93Š| ||
| 423 | F | 39.8 | Very low | 40.3 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -93.9 | 103 | 170.1 | -82.6 | -99.8 | 0 | 0 | 0 | 111 | ||||
| 424 | D | 43.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | -93 | 93.5 | 168.5 | -170 | 2.1 | 0 | 0 | 0 | 110.4 | S426 | D424-S426 VanDerWaalsContact C-N 3.32Å; D424-S426 PolarHBondContact O-N 2.93Å; D424-S426 VanDerWaalsContact O-N 3.08Å; D424-S426 PolarHBondContact OD1-OG 2.88Å | ||
| 425 | E | 42.8 | Very low | 40.3 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -84.9 | 59.4 | -171.9 | -163.3 | -176.7 | -175.5 | 0 | 0 | 112.5 | ||||
| 426 | S | 52.8 | Low | 40.3 | Very low | 85 Ų | 85 | 141 Ų | 141 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | trans | -137.9 | 11.6 | -172.7 | 89.6 | 0 | 0 | 0 | 0 | 118.2 | D424 | D424-S426 VanDerWaalsContact C-N 3.32Å; D424-S426 PolarHBondContact O-N 2.93Å; D424-S426 VanDerWaalsContact O-N 3.08Å; D424-S426 PolarHBondContact OD1-OG 2.88Å | ||
| 427 | V | 43.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | -124.5 | 87.3 | -178.4 | -166.1 | 0 | 0 | 0 | 0 | 113 | P429 | V427-P429 WeakPolarHBondContact O-CD 3.12Š| ||
| 428 | D | 44.1 | Very low | 39.6 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 44% | 0.439 | 74% | 0.74 | S | S | . | * | trans | -73.3 | 119.8 | 171.7 | 170.8 | 5.7 | 0 | 0 | 0 | 111.5 | F430 K431 | D428-F430 VanDerWaalsContact C-N 3.3Å; D428-F430 PolarHBondContact O-N 3.49Å; D428-F430 PolarHBondContact OD1-N 3.45Å; D428-K431 VanDerWaalsContact OD2-CE 3.27Å; D428-K431 WeakPolarHBondContact OD2-CE 3.4Å; D428-K431 IonicContact OD2-NZ 2.8Å; D428-K431 PolarHBondContact OD2-NZ 3.24Å | ||
| 429 | P | 45.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -71.9 | -9.9 | -177.4 | -19.6 | 33.2 | 0 | 0 | 0 | 116.4 | V427 | V427-P429 WeakPolarHBondContact O-CD 3.12Š|
| 430 | F | 37.7 | Very low | 38.7 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -124.7 | 53.9 | -164.3 | -73.1 | -73.4 | 0 | 0 | 0 | 115.4 | D428 | D428-F430 VanDerWaalsContact C-N 3.3Å; D428-F430 PolarHBondContact O-N 3.49Å; D428-F430 PolarHBondContact OD1-N 3.45Å | ||
| 431 | K | 46.7 | Very low | 37.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | -117.6 | 118 | 170.6 | -77.4 | 178 | 172 | 117.2 | 0 | 113.4 | D428 | D428-K431 VanDerWaalsContact OD2-CE 3.27Å; D428-K431 WeakPolarHBondContact OD2-CE 3.4Å; D428-K431 IonicContact OD2-NZ 2.8Å; D428-K431 PolarHBondContact OD2-NZ 3.24Å | ||
| 432 | P | 33.8 | Very low | 37 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -80.9 | 121 | 174.1 | 31.5 | -31.5 | 0 | 0 | 0 | 110.7 | ||||
| 433 | T | 32.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -98.5 | 113.3 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 434 | T | 31.1 | Very low | 37.4 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | -93.7 | 167.7 | 168.9 | 44.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 435 | T | 30.6 | Very low | 37.7 | Very low | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 61.8 | 115.8 | 175.6 | 26.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 436 | L | 31.6 | Very low | 36.9 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -120.8 | 130.6 | 137.3 | -79 | 179.2 | 0 | 0 | 0 | 108.5 | ||||
| 437 | T | 29.2 | Very low | 35.9 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | -103.3 | 173.2 | 171 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 438 | S | 27.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | 105.6 | 145.5 | 158.1 | -151.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 439 | S | 31.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -138.2 | 144.1 | -160.7 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 440 | D | 30.2 | Very low | 34.3 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | 73.2 | 123.3 | 134.6 | -72 | 4.1 | 0 | 0 | 0 | 123.2 | ||||
| 441 | F | 28.9 | Very low | 34 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | 60.7 | 145.8 | 146.9 | -55.4 | -56.6 | 0 | 0 | 0 | 119.9 | ||||
| 442 | C | 27.8 | Very low | 33.5 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | cis | -155.9 | 176.8 | 8.6 | -146.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 443 | S | 33.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -117.5 | -170.4 | -176.3 | -32.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 444 | P | 61.2 | Low | 33.4 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | cis | -112.4 | -99.9 | -15.4 | 31.7 | -9.4 | 0 | 0 | 0 | 111.1 | ||||
| 445 | P | 49.7 | Very low | 33.4 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | cis | -124.7 | -175.3 | -14.3 | 43.2 | -27 | 0 | 0 | 0 | 115.2 | ||||
| 446 | G | 26.5 | Very low | 34.1 | Very low | 59 Ų | 59 | 125.2 Ų | 125.2 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | trans | 90.2 | 68 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 447 | N | 30 | Very low | 34.3 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | 70.2 | 123.1 | 91.3 | -65.4 | -9.8 | 0 | 0 | 0 | 116.6 | |||||
| 448 | H | 32.6 | Very low | 34.5 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | 170.7 | 124.7 | 100.3 | -158.1 | -121.2 | 0 | 0 | 0 | 113.2 | |||||
| 449 | V | 34.4 | Very low | 34.6 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 61% | 0.606 | 72% | 0.715 | S | S | * | * | trans | 49.8 | 159 | 153.9 | -55.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 450 | N | 33.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | cis | -153.2 | 141 | -22.3 | -105.1 | 10.4 | 0 | 0 | 0 | 106 | ||||
| 451 | E | 31.1 | Very low | 34.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | 78.4 | 152.4 | 66.7 | -149.3 | -163.6 | -157.6 | 0 | 0 | 114.1 | |||||
| 452 | I | 36 | Very low | 35.6 | Very low | 137 Ų | 137 | 135 Ų | 135 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | 83.4 | 127.6 | 167.4 | -57.8 | 176.9 | 0 | 0 | 0 | 116.5 | ||||
| 453 | L | 35.4 | Very low | 35.9 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | cis | -177.8 | 166.1 | -27.4 | -129.6 | 71.2 | 0 | 0 | 0 | 105.7 | ||||
| 454 | E | 29.6 | Very low | 36.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | cis | -161 | 174 | -6.6 | -151.3 | -78.7 | 100.9 | 0 | 0 | 107.1 | ||||
| 455 | S | 29.9 | Very low | 35.2 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | 102.3 | 150.4 | 133.7 | 88.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 456 | P | 46.3 | Very low | 34.5 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 48% | 0.481 | 74% | 0.735 | S | S | . | * | -145.2 | 160.1 | -51 | 37.9 | -23.1 | 0 | 0 | 0 | 114.6 | |||||
| 457 | K | 35.7 | Very low | 34.8 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | 147.2 | 114.6 | 127.6 | -78.7 | 146.9 | -170.8 | 147 | 0 | 116.4 | |||||
| 458 | K | 32.6 | Very low | 35 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | 53.5 | 97.4 | 131.8 | -61.5 | -175.4 | 177.2 | -179.2 | 0 | 121.2 | ||||
| 459 | A | 30.2 | Very low | 35.2 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | 58.2 | 145.1 | 107.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 460 | K | 35 | Very low | 35.1 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | trans | 85.2 | 117.7 | 168.7 | -59.5 | 177.6 | 178 | 177.1 | 0 | 117.6 | ||||
| 461 | S | 33.3 | Very low | 35 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | -137 | 126.5 | 116.4 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 462 | R | 43.3 | Very low | 35.2 | Very low | 227 Ų | 227 | 144.8 Ų | 144.8 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -149 | 116 | 174.8 | -168.3 | -173.3 | -166.3 | -173.3 | 7.1 | 108.2 | ||||
| 463 | L | 35 | Very low | 35 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 47.4 | 101.3 | 148.7 | -160.1 | 171.5 | 0 | 0 | 0 | 117.8 | ||||
| 464 | I | 38.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -148.6 | 142.4 | 151.3 | -1.5 | 176.9 | 0 | 0 | 0 | 105.2 | ||||
| 465 | T | 40.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -129.7 | 129.3 | 22.8 | 43 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 466 | S | 33.8 | Very low | 34.7 | Very low | 99 Ų | 99 | 150 Ų | 150 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | 88.3 | 115.8 | 49.7 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 467 | G | 33.5 | Very low | 33.7 | Very low | 83 Ų | 83 | 152.4 Ų | 152.4 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -169.9 | 27.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 468 | C | 33.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 152 Ų | 152 | 92% | 0.919 | 81% | 0.813 | S | S | * | * | trans | -82.7 | 127.4 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 469 | K | 38.6 | Very low | 33.5 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -157.6 | 117.8 | 161.4 | -148.1 | 163.4 | -178.2 | 173.6 | 0 | 112.9 | ||||
| 470 | V | 31.4 | Very low | 33.5 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | 49 | 126 | 134.7 | -179.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 471 | K | 30.7 | Very low | 33.3 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | cis | -159.9 | 175.1 | 34.4 | -146.1 | 171.5 | -179 | -171.5 | 0 | 111.8 | ||||
| 472 | K | 36.8 | Very low | 33.2 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -115.2 | 173.5 | 158.9 | -91.3 | -164.7 | 173.6 | -171.8 | 0 | 110.7 | ||||
| 473 | H | 30.6 | Very low | 32.5 | Very low | 167 Ų | 167 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 75 | 141 | 176.4 | -50 | -83.2 | 0 | 0 | 0 | 113.7 | ||||
| 474 | E | 25.1 | Very low | 32.8 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | cis | -137.3 | 175.9 | 5.7 | -117 | 154.8 | 111 | 0 | 0 | 109 | ||||
| 475 | T | 31.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -148.4 | 174 | 30.8 | -30.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 476 | Q | 31.8 | Very low | 32.1 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 159.2 | -164.4 | -56.3 | 153.5 | -17.6 | 0 | 0 | 117.1 | ||||
| 477 | S | 26.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -162.4 | 147.9 | 122.1 | -82.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 478 | L | 34.4 | Very low | 32.4 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -51.8 | 164 | 179.2 | -66 | 166.1 | 0 | 0 | 0 | 115.9 | ||||
| 479 | A | 29 | Very low | 32.7 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | cis | -174.1 | 161.9 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 480 | L | 31.4 | Very low | 32.8 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 50.8 | 162 | 144.1 | -63.8 | 171.7 | 0 | 0 | 0 | 121.1 | ||||
| 481 | D | 29 | Very low | 32.8 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | cis | -174.1 | 160.8 | -26.1 | -177.8 | 30.8 | 0 | 0 | 0 | 110 | ||||
| 482 | A | 31.7 | Very low | 33 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 59.9 | 157 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 483 | C | 29.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | cis | -170.4 | 165 | -23.7 | -98.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 484 | S | 40.3 | Very low | 32.8 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | cis | -152.5 | -146.5 | -0.5 | 42.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 485 | Q | 35.7 | Very low | 33.2 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -163.7 | -173.1 | -11.7 | -134.6 | 158.3 | -97.5 | 0 | 0 | 104.6 | ||||
| 486 | D | 28.1 | Very low | 33.3 | Very low | 134 Ų | 134 | 127 Ų | 127 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -159 | -173 | 2.1 | -144.5 | -35.3 | 0 | 0 | 0 | 109.8 | ||||
| 487 | E | 39.4 | Very low | 33.5 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -83.1 | 174.5 | 163.9 | -97.7 | -86.2 | -104 | 0 | 0 | 112.3 | ||||
| 488 | G | 35.5 | Very low | 33.8 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | cis | 167.6 | -169 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 489 | A | 39.7 | Very low | 34 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | cis | -177.1 | -164 | -18.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 490 | V | 39.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | 82.5 | 106 | 155 | -177 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 491 | I | 32.8 | Very low | 34.7 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | 78.6 | 159 | 139.3 | -67 | 175.7 | 0 | 0 | 0 | 122.1 | ||||
| 492 | S | 34.3 | Very low | 35.3 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | -127.6 | 159.9 | -157.2 | 42 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 493 | Q | 31.5 | Very low | 35.6 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -173.6 | 129.7 | 152.5 | -127.8 | 161.8 | -11.2 | 0 | 0 | 108 | ||||
| 494 | I | 32.4 | Very low | 36.7 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | cis | 109.6 | 131.1 | 27.6 | -73 | 167.5 | 0 | 0 | 0 | 112 | ||||
| 495 | S | 33 | Very low | 37.2 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 75.5 | 149.2 | 160.1 | -73.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 496 | D | 34.8 | Very low | 38.3 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -164.7 | 175 | -17.9 | -122.3 | -48.9 | 0 | 0 | 0 | 117.4 | ||||
| 497 | I | 34.5 | Very low | 39.8 | Very low | 139 Ų | 139 | 129 Ų | 129 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -22.6 | 152.4 | 168.5 | 50.2 | 160.8 | 0 | 0 | 0 | 122.5 | ||||
| 498 | S | 33.3 | Very low | 40.3 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | 166.4 | 152.1 | 118.5 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 499 | N | 39 | Very low | 41.3 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | cis | -176 | 139.6 | -41.4 | -146.3 | -29.7 | 0 | 0 | 0 | 108.8 | ||||
| 500 | R | 37.3 | Very low | 41.6 | Very low | 206 Ų | 206 | 137.9 Ų | 137.9 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | 62 | 171.2 | 170.5 | -39 | -172.4 | 67.4 | 92.4 | 10.8 | 116.2 | ||||
| 501 | D | 38 | Very low | 41.3 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | cis | -140.6 | 176.6 | -15.4 | -138.5 | -38.4 | 0 | 0 | 0 | 109.8 | ||||
| 502 | G | 41.1 | Very low | 41.4 | Very low | 54 Ų | 54 | 133.5 Ų | 133.5 | 56% | 0.557 | 74% | 0.742 | S | S | * | * | trans | -90.1 | -164.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 503 | H | 38.2 | Very low | 41.3 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | trans | 92.5 | 132.5 | 175.8 | -54.6 | -71.2 | 0 | 0 | 0 | 117.5 | ||||
| 504 | A | 51.6 | Low | 41.3 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -109.3 | 142.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 505 | T | 51.8 | Low | 41.4 | Very low | 135 Ų | 135 | 129 Ų | 129 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | trans | -131.4 | 124.8 | 167.6 | 48 | 0 | 0 | 0 | 0 | 109 | ||||
| 506 | D | 59.5 | Low | 41.5 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | trans | -49.7 | 137.4 | 157.9 | 156.2 | 44.7 | 0 | 0 | 0 | 111.3 | E508 | D506-E508 PolarHBondContact OD1-N 2.83Š| ||
| 507 | E | 58.8 | Low | 41.5 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -152.3 | 103.6 | 143.4 | -89 | -141.4 | 168.8 | 0 | 0 | 109.6 | K509 | E507-K509 VanDerWaalsContact CD-NZ 3.28Å; E507-K509 IonicContact OE1-NZ 2.87Å; E507-K509 IonicContact OE2-NZ 3.79Å; E507-K509 PolarHBondContact OE2-NZ 3.46Å | ||
| 508 | E | 49.5 | Very low | 41.8 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -73.6 | 135.7 | 164.4 | 55.9 | -175.2 | 128.4 | 0 | 0 | 112.5 | D506 | D506-E508 PolarHBondContact OD1-N 2.83Š| ||
| 509 | K | 56.3 | Low | 41.6 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -139.6 | 128.5 | 175.6 | -72.3 | -65.4 | -179.6 | -63.1 | 0 | 110.6 | E507 | E507-K509 VanDerWaalsContact CD-NZ 3.28Å; E507-K509 IonicContact OE1-NZ 2.87Å; E507-K509 IonicContact OE2-NZ 3.79Å; E507-K509 PolarHBondContact OE2-NZ 3.46Å | ||
| 510 | L | 45.7 | Very low | 41.1 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -85.9 | 171 | -179.4 | -63.4 | 174 | 0 | 0 | 0 | 112.3 | ||||
| 511 | A | 34.4 | Very low | 40.8 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 76.5 | 142.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 512 | S | 34.3 | Very low | 40.7 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | -156.7 | 156.1 | -0.2 | -134.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 513 | T | 33.5 | Very low | 40.1 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 17.7 | 131.6 | 145.8 | 60.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 514 | S | 29.7 | Very low | 40 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 150.3 | 161.9 | 101.5 | 63.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 515 | C | 34.9 | Very low | 39.1 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 64% | 0.635 | 77% | 0.77 | S | S | * | * | trans | 47.6 | 93.7 | 155.7 | -156.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 516 | G | 36.2 | Very low | 38 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -82.8 | 124.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 517 | Q | 33.2 | Very low | 36.6 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -109.5 | 134.2 | -178.1 | -147.7 | 175.5 | -73.5 | 0 | 0 | 111.5 | ||||
| 518 | K | 41.1 | Very low | 36.1 | Very low | 205 Ų | 205 | 124.7 Ų | 124.7 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | -86.6 | 154.9 | -170.7 | -71.9 | -179.3 | 176.4 | 177.5 | 0 | 114.7 | ||||
| 519 | S | 30.1 | Very low | 35.6 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -157.3 | 156.4 | 133.7 | 58 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 520 | A | 28.5 | Very low | 34.7 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | cis | -167.2 | 157.9 | -30.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 521 | G | 30.8 | Very low | 34.4 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | cis | -160.3 | 162.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 522 | A | 36.4 | Very low | 34.8 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | 96.5 | 145.4 | 85.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 523 | E | 28.4 | Very low | 35.1 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -179.7 | 163.1 | -15.7 | -109.8 | 134.2 | 54.9 | 0 | 0 | 106.5 | ||||
| 524 | V | 34.3 | Very low | 35.3 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | cis | -169.3 | 168.9 | -10.3 | 83.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 525 | K | 34.3 | Very low | 35.4 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | cis | -152.7 | 177.5 | -6.4 | -152.6 | -173.1 | -164.3 | -152.7 | 0 | 106.8 | E527 | K525-E527 HydrophobicContact CD-CG 3.97Å; K525-E527 WeakPolarHBondContact CE-OE1 3.35Å; K525-E527 IonicContact NZ-OE1 3.96Å; K525-E527 PolarHBondContact NZ-OE1 3.15Å | ||
| 526 | G | 27.8 | Very low | 35.6 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -166.4 | 105.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 527 | E | 30.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 147 Ų | 147 | 59% | 0.593 | 79% | 0.791 | S | S | * | * | trans | -100.2 | 177.9 | -172.4 | -72.7 | -65 | 159.5 | 0 | 0 | 111.3 | K525 | K525-E527 HydrophobicContact CD-CG 3.97Å; K525-E527 WeakPolarHBondContact CE-OE1 3.35Å; K525-E527 IonicContact NZ-OE1 3.96Å; K525-E527 PolarHBondContact NZ-OE1 3.15Å | ||
| 528 | P | 49 | Very low | 35.4 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | cis | -144.2 | 168.1 | 17.5 | 44.6 | -26.1 | 0 | 0 | 0 | 120 | ||||
| 529 | E | 37.4 | Very low | 35.1 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 57.2 | 160 | 138.4 | -68.8 | 167.6 | 154.3 | 0 | 0 | 120 | ||||
| 530 | E | 39.2 | Very low | 35.3 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | cis | -128.6 | 160.4 | 14.5 | -67 | 175 | 159.9 | 0 | 0 | 113.3 | ||||
| 531 | D | 38.2 | Very low | 35.8 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -87.4 | 158.1 | 176.3 | -77.5 | -59.9 | 0 | 0 | 0 | 114.1 | ||||
| 532 | L | 43.9 | Very low | 35.7 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -138 | 123.4 | 147 | -81.5 | -176.9 | 0 | 0 | 0 | 111 | ||||
| 533 | E | 40.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -76.7 | 153 | -175.5 | -55 | 175.2 | 132.4 | 0 | 0 | 112.9 | ||||
| 534 | Y | 35.6 | Very low | 35.7 | Very low | 234 Ų | 234 | 144.3 Ų | 144.3 | 92% | 0.918 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 138.9 | 155.2 | -161.8 | -95.3 | 0 | 0 | 0 | 110.8 | ||||
| 535 | F | 32.5 | Very low | 35.9 | Very low | 171 Ų | 171 | 146 Ų | 146 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | -73.2 | 134.7 | -165.1 | -107.4 | -111.5 | 0 | 0 | 0 | 113.8 | ||||
| 536 | E | 39.2 | Very low | 35.8 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -84.1 | 136.8 | 164.1 | -175.3 | 178 | -176.8 | 0 | 0 | 109.8 | ||||
| 537 | C | 31.1 | Very low | 35.9 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -133.8 | 130.7 | 171.8 | -87.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 538 | S | 34.8 | Very low | 36.1 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 141.3 | -159.9 | -43.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 539 | N | 33.7 | Very low | 35.1 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 117.4 | 159.2 | -78.1 | -62.1 | 0 | 0 | 0 | 109.8 | ||
| 540 | V | 33.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 123.7 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 541 | P | 39.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 124.6 | 179.2 | 30.1 | -33.5 | 0 | 0 | 0 | 111.8 | S543 | P541-S543 PolarHBondContact O-N 2.98Š|
| 542 | V | 29.3 | Very low | 34 | Very low | 146 Ų | 146 | 143 Ų | 143 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 123 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 543 | S | 32.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 138.4 | 176.5 | -71 | 0 | 0 | 0 | 0 | 112.5 | P541 | P541-S543 PolarHBondContact O-N 2.98Š|
| 544 | T | 31.9 | Very low | 33 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 139.8 | -179 | -48.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 545 | I | 38.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -115.5 | 126.8 | 152.1 | -68.3 | -179.7 | 0 | 0 | 0 | 107.7 | ||||
| 546 | N | 33.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | -78.4 | 151.2 | -177.5 | -52.7 | -71.3 | 0 | 0 | 0 | 111.2 | ||||
| 547 | H | 29.9 | Very low | 32.6 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | -159.4 | 149 | 114.4 | -118.6 | -86.7 | 0 | 0 | 0 | 113.6 | |||||
| 548 | A | 33.9 | Very low | 32.8 | Very low | 68 Ų | 68 | 131 Ų | 131 | 56% | 0.562 | 76% | 0.764 | S | S | * | * | trans | -46.4 | 147.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 549 | F | 28.1 | Very low | 32.6 | Very low | 216 Ų | 216 | 133 Ų | 133 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | -151.1 | -179.6 | 89.4 | -96.7 | -70.2 | 0 | 0 | 0 | 111.3 | |||||
| 550 | S | 31.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -129.9 | 157.3 | -154.3 | -171.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 551 | S | 28.5 | Very low | 32.1 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 70.3 | 152.1 | 164 | -67 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 552 | S | 32.6 | Very low | 31.7 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | -165.4 | -175.3 | -23.8 | -162.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 553 | E | 31.4 | Very low | 32 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 70.6 | 100 | 150 | -116.6 | 55.7 | -141.8 | 0 | 0 | 120.3 | ||||
| 554 | A | 32.5 | Very low | 32 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | 50.7 | 124.2 | 123.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 555 | G | 29 | Very low | 32.2 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 81.5 | 166.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 556 | I | 36.9 | Very low | 32 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | cis | -140.4 | 143.1 | 11.9 | -74.1 | 171.6 | 0 | 0 | 0 | 109.2 | ||||
| 557 | E | 31.4 | Very low | 31.9 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | 19.1 | 137.7 | 152 | -63.8 | 156.9 | -118.9 | 0 | 0 | 122.6 | ||||
| 558 | K | 36.9 | Very low | 31.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | 31.2 | 145 | 123.1 | -70.7 | 173.3 | 155.6 | -80.6 | 0 | 119.6 | |||||
| 559 | E | 29.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | cis | -168.6 | 172.2 | 3.4 | -125.2 | 163.7 | 172.8 | 0 | 0 | 111.9 | ||||
| 560 | T | 26.8 | Very low | 31.6 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 49.1 | 97.8 | 143 | -52.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 561 | C | 30.6 | Very low | 31.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | 40.2 | 147.7 | 117.3 | -54.2 | 0 | 0 | 0 | 0 | 124 | |||||
| 562 | Q | 31.3 | Very low | 31.7 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 83.2 | 103.3 | 152.3 | -73.3 | -178.3 | 24.1 | 0 | 0 | 121 | ||||
| 563 | K | 35.5 | Very low | 31.4 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | 55 | 114.7 | 113.1 | -171 | -164.3 | 177.3 | -173.5 | 0 | 118.9 | |||||
| 564 | M | 31.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | -166.3 | 171.2 | 112.2 | -104.4 | -178.8 | 69.6 | 0 | 0 | 112.1 | |||||
| 565 | E | 35.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -89.8 | -178.3 | 175.4 | -63.3 | -169.5 | 137.4 | 0 | 0 | 112.3 | ||||
| 566 | E | 34.4 | Very low | 31.1 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | 114.7 | 150.9 | 154.4 | -150.7 | 165.9 | 178.7 | 0 | 0 | 116.4 | ||||
| 567 | D | 31.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -63.2 | 148 | -158.8 | -81.5 | -57.3 | 0 | 0 | 0 | 116.5 | ||||
| 568 | G | 30.7 | Very low | 30.7 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -179.8 | 84.3 | 172 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 569 | S | 28.9 | Very low | 30.7 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -21.2 | 138.9 | 163.1 | 173.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 570 | T | 25.8 | Very low | 30.8 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | 174 | 101.2 | 109.3 | -70 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 571 | V | 30.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 69.8 | 143.4 | 134.3 | 173.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 572 | L | 31.1 | Very low | 31.2 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 74.5 | 117.4 | 170.8 | -76.9 | 160.4 | 0 | 0 | 0 | 118 | ||||
| 573 | G | 26.6 | Very low | 31.7 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | cis | 158 | 164.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 574 | L | 29.5 | Very low | 31.6 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | 63.9 | 129.3 | 167.5 | -119.1 | 61.5 | 0 | 0 | 0 | 116.1 | ||||
| 575 | L | 28.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | cis | -151.6 | 127.8 | 7.6 | -177.1 | 71.5 | 0 | 0 | 0 | 109.9 | ||||
| 576 | E | 28.6 | Very low | 32 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -137.7 | 127.3 | 161.7 | -170.3 | 170.2 | -137.3 | 0 | 0 | 108.9 | ||||
| 577 | S | 28.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -108.7 | 90.8 | -168.1 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 578 | S | 31.1 | Very low | 32.2 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -77.4 | 161.3 | 165.3 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 579 | A | 37.3 | Very low | 32.3 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -88.7 | 145 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 580 | E | 31.6 | Very low | 32.9 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -154.4 | -179.8 | 130.8 | -111.3 | -137.6 | 104.4 | 0 | 0 | 113.5 | ||||
| 581 | K | 38.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -82.6 | 147.7 | -154.2 | -45 | 178.5 | -168 | 77.9 | 0 | 114.3 | ||||
| 582 | A | 28.1 | Very low | 34.6 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -141.3 | 143 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 583 | A | 41.8 | Very low | 35.7 | Very low | 108 Ų | 108 | 125 Ų | 125 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 130.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 584 | V | 33.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -120.6 | 115.5 | 167.1 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | V586 | V584-V586 HydrophobicContact CG1-CG2 4.39Å; V584-V586 PolarHBondContact O-N 3.48Å | ||
| 585 | S | 39.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 107.6 | 173.7 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 586 | V | 37.5 | Very low | 38.8 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -99.2 | 133.2 | 163.3 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | V584 | V584-V586 HydrophobicContact CG1-CG2 4.39Å; V584-V586 PolarHBondContact O-N 3.48Å | ||
| 587 | S | 29.6 | Very low | 40 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -64.1 | 146.4 | -170.1 | -169.6 | 0 | 0 | 0 | 0 | 113.1 | G589 | S587-G589 VanDerWaalsContact C-N 3.26Å; S587-G589 PolarHBondContact O-N 3.48Å | ||
| 588 | C | 39.5 | Very low | 41.2 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -66.9 | 86 | 160.6 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | G590 | C588-G590 PolarHBondContact O-N 2.98Š| ||
| 589 | G | 32.8 | Very low | 42.3 | Very low | 65 Ų | 65 | 118.5 Ų | 118.5 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 96.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S587 E591 | S587-G589 VanDerWaalsContact C-N 3.26Å; S587-G589 PolarHBondContact O-N 3.48Å; G589-E591 PolarHBondContact O-N 2.84Å | ||
| 590 | G | 42 | Very low | 43.6 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | trans | -83 | 96.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C588 | C588-G590 PolarHBondContact O-N 2.98Š| ||
| 591 | E | 37.6 | Very low | 45.6 | Very low | 180 Ų | 180 | 116.9 Ų | 116.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | -130.3 | 112 | 163.2 | 53.4 | -163.8 | 138.4 | 0 | 0 | 111.2 | G589 P593 | G589-E591 PolarHBondContact O-N 2.84Å; E591-P593 WeakPolarHBondContact O-CD 3.29Å | ||
| 592 | S | 54.9 | Low | 47.3 | Very low | 101 Ų | 101 | 112.1 Ų | 112.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -104.4 | 114.7 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 593 | P | 52.9 | Low | 49.7 | Very low | 121 Ų | 121 | 110.8 Ų | 110.8 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -104.7 | 31.1 | 169.8 | 38.6 | -33 | 0 | 0 | 0 | 112.4 | E591 | E591-P593 WeakPolarHBondContact O-CD 3.29Š| ||
| 594 | L | 49.3 | Very low | 51.6 | Low | 143 Ų | 143 | 110.2 Ų | 110.2 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | -122.9 | 22.1 | 178.3 | -72.8 | -179.2 | 0 | 0 | 0 | 114.8 | ||||
| 595 | D | 47.5 | Very low | 53.9 | Low | 132 Ų | 132 | 107.9 Ų | 107.9 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -117 | 59.7 | 168.2 | -132 | 34.6 | 0 | 0 | 0 | 109.8 | K604 | D595-K604 IonicContact OD1-NZ 2.76Å; D595-K604 PolarHBondContact OD1-NZ 2.85Å |
| 596 | G | 52.9 | Low | 56 | Low | 75 Ų | 75 | 104.3 Ų | 104.3 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -143.1 | 1.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 597 | I | 54 | Low | 58.3 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 62% | 0.615 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -117.5 | 132.5 | 168.8 | -58.3 | 175.8 | 0 | 0 | 0 | 105.9 | L599 | I597-L599 HydrophobicContact CB-CG 4.24Å; I597-L599 HydrophobicContact CG2-CD2 3.85Å; I597-L599 HydrophobicContact CG2-CG 3.95Å; I597-L599 PolarHBondContact O-N 3.29Å |
| 598 | C | 53.4 | Low | 61.1 | Low | 136 Ų | 136 | 101 Ų | 101 | 92% | 0.919 | 63% | 0.629 | S | S | * | * | trans | -76.8 | 64 | -179.3 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | S600 | C598-S600 PolarHBondContact O-N 2.83Š| ||
| 599 | L | 54 | Low | 63.4 | Low | 76 Ų | 76 | 97.4 Ų | 97.4 | 40% | 0.398 | 60% | 0.603 | S | S | . | * | trans | -70.2 | 122.2 | 171.7 | -63.6 | -179.3 | 0 | 0 | 0 | 108.8 | I597 D603 K604 | I597-L599 HydrophobicContact CB-CG 4.24Å; I597-L599 HydrophobicContact CG2-CD2 3.85Å; I597-L599 HydrophobicContact CG2-CG 3.95Å; I597-L599 PolarHBondContact O-N 3.29Å; L599-D603 HydrophobicContact CB-CB 3.9Å; L599-D603 HydrophobicContact CD2-CB 4.11Å; L599-K604 HydrophobicContact CB-CG 4.18Å | ||
| 600 | S | 66.1 | Low | 66.1 | Low | 46 Ų | 46 | 99.6 Ų | 99.6 | 32% | 0.322 | 60% | 0.599 | S | S | . | * | trans | -63.9 | 166.1 | 177.4 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | C598 S602 D603 K604 | C598-S600 PolarHBondContact O-N 2.83Å; S600-S602 PolarHBondContact O-N 3.16Å; S600-S602 PolarHBondContact OG-OG 3.1Å; S600-D603 VanDerWaalsContact CB-OD2 3.3Å; S600-D603 WeakPolarHBondContact CB-OD2 3.44Å; S600-D603 PolarHBondContact N-OD2 2.57Å; S600-D603 PolarHBondContact O-N 2.61Å; S600-D603 PolarHBondContact OG-N 3.15Å; S600-D603 VanDerWaalsContact OG-N 3.17Å; S600-D603 PolarHBondContact OG-OD2 3.44Å; S600-K604 PolarHBondContact O-N 3.11Å | ||
| 601 | E | 72.2 | Confident | 68.4 | Low | 171 Ų | 171 | 99.8 Ų | 99.8 | 80% | 0.799 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.1 | -34.4 | 173.8 | -168 | 172.5 | 176.2 | 0 | 0 | 111.6 | T605 | E601-T605 WeakPolarHBondContact O-CB 3.28Å; E601-T605 PolarHBondContact O-N 2.91Å; E601-T605 PolarHBondContact O-OG1 2.85Å |
| 602 | S | 74.5 | Confident | 70.9 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.1 | -42.5 | 168.2 | 21 | 0 | 0 | 0 | 0 | 113.4 | S600 T605 A606 | S600-S602 PolarHBondContact O-N 3.16Å; S600-S602 PolarHBondContact OG-OG 3.1Å; S602-T605 WeakPolarHBondContact O-CB 3.43Å; S602-T605 PolarHBondContact O-N 2.81Å; S602-A606 WeakPolarHBondContact O-CB 3.42Å; S602-A606 PolarHBondContact O-N 2.97Å |
| 603 | D | 78.9 | Confident | 72.7 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 37% | 0.369 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.6 | -42.4 | -179.4 | -58.4 | -47.6 | 0 | 0 | 0 | 111.8 | L599 S600 T605 A606 V607 | L599-D603 HydrophobicContact CB-CB 3.9Å; L599-D603 HydrophobicContact CD2-CB 4.11Å; S600-D603 VanDerWaalsContact CB-OD2 3.3Å; S600-D603 WeakPolarHBondContact CB-OD2 3.44Å; S600-D603 PolarHBondContact N-OD2 2.57Å; S600-D603 PolarHBondContact O-N 2.61Å; S600-D603 PolarHBondContact OG-N 3.15Å; S600-D603 VanDerWaalsContact OG-N 3.17Å; S600-D603 PolarHBondContact OG-OD2 3.44Å; D603-T605 PolarHBondContact O-N 2.95Å; D603-A606 PolarHBondContact O-N 3.33Å; D603-V607 WeakPolarHBondContact O-CG2 3.2Å; D603-V607 PolarHBondContact O-N 3.33Å |
| 604 | K | 81.6 | Confident | 74.6 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 173.9 | -67.4 | -170.7 | 176 | -172.2 | 0 | 111 | D595 L599 S600 L608 | D595-K604 IonicContact OD1-NZ 2.76Å; D595-K604 PolarHBondContact OD1-NZ 2.85Å; L599-K604 HydrophobicContact CB-CG 4.18Å; S600-K604 PolarHBondContact O-N 3.11Å; K604-L608 WeakPolarHBondContact O-CG 3.4Å; K604-L608 PolarHBondContact O-N 3.11Å |
| 605 | T | 82.1 | Confident | 76.7 | Confident | 78 Ų | 78 | 95.9 Ų | 95.9 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.7 | -45 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | E601 S602 D603 V607 L608 T609 | E601-T605 WeakPolarHBondContact O-CB 3.28Å; E601-T605 PolarHBondContact O-N 2.91Å; E601-T605 PolarHBondContact O-OG1 2.85Å; S602-T605 WeakPolarHBondContact O-CB 3.43Å; S602-T605 PolarHBondContact O-N 2.81Å; D603-T605 PolarHBondContact O-N 2.95Å; T605-V607 PolarHBondContact O-N 3.11Å; T605-L608 PolarHBondContact O-N 3.11Å; T605-T609 PolarHBondContact O-N 3.25Å; T605-T609 PolarHBondContact O-OG1 3.2Å |
| 606 | A | 82.8 | Confident | 78.9 | Confident | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S602 D603 L608 T609 L610 | S602-A606 WeakPolarHBondContact O-CB 3.42Å; S602-A606 PolarHBondContact O-N 2.97Å; D603-A606 PolarHBondContact O-N 3.33Å; A606-L608 PolarHBondContact O-N 3.46Å; A606-T609 PolarHBondContact O-N 3.21Å; A606-L610 WeakPolarHBondContact O-CG 3.42Å; A606-L610 PolarHBondContact O-N 3.2Å |
| 607 | V | 86.5 | Confident | 80.8 | Confident | 74 Ų | 74 | 93.5 Ų | 93.5 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | D603 T605 T609 L610 I611 | D603-V607 WeakPolarHBondContact O-CG2 3.2Å; D603-V607 PolarHBondContact O-N 3.33Å; T605-V607 PolarHBondContact O-N 3.11Å; V607-T609 VanDerWaalsContact C-N 3.34Å; V607-L610 PolarHBondContact O-N 3.05Å; V607-I611 HydrophobicContact CG1-CD1 3.87Å; V607-I611 VanDerWaalsContact O-CG1 3.29Å; V607-I611 WeakPolarHBondContact O-CG1 3.48Å; V607-I611 PolarHBondContact O-N 2.83Å |
| 608 | L | 86.6 | Confident | 82.8 | Confident | 94 Ų | 94 | 92.3 Ų | 92.3 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -32.6 | 175.6 | -73.2 | 173.8 | 0 | 0 | 0 | 112.8 | K604 T605 A606 R612 | K604-L608 WeakPolarHBondContact O-CG 3.4Å; K604-L608 PolarHBondContact O-N 3.11Å; T605-L608 PolarHBondContact O-N 3.11Å; A606-L608 PolarHBondContact O-N 3.46Å; L608-R612 WeakPolarHBondContact O-CD 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.24Å; L608-R612 PolarHBondContact O-N 3.32Å; L608-R612 VanDerWaalsContact O-N 3.16Å |
| 609 | T | 87.8 | Confident | 84.7 | Confident | 52 Ų | 52 | 91.6 Ų | 91.6 | 32% | 0.319 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.3 | -49.9 | 172.1 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | T605 A606 V607 I611 R612 E613 | T605-T609 PolarHBondContact O-N 3.25Å; T605-T609 PolarHBondContact O-OG1 3.2Å; A606-T609 PolarHBondContact O-N 3.21Å; V607-T609 VanDerWaalsContact C-N 3.34Å; T609-I611 VanDerWaalsContact C-N 3.32Å; T609-I611 PolarHBondContact O-N 3.19Å; T609-R612 CarbonylContact O-C 3.6Å; T609-R612 WeakPolarHBondContact O-CA 3.27Å; T609-R612 WeakPolarHBondContact O-CB 3.46Å; T609-R612 PolarHBondContact O-N 3.07Å; T609-E613 HydrophobicContact CG2-CG 4.27Å; T609-E613 WeakPolarHBondContact CG2-OE1 3.41Å; T609-E613 WeakPolarHBondContact O-CG 3.38Å; T609-E613 PolarHBondContact O-N 3.47Å |
| 610 | L | 89.4 | Confident | 86.6 | Confident | 111 Ų | 111 | 92.4 Ų | 92.4 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.9 | -41.5 | 177 | -73.4 | 168.9 | 0 | 0 | 0 | 112.6 | A606 V607 R612 E613 E614 | A606-L610 WeakPolarHBondContact O-CG 3.42Å; A606-L610 PolarHBondContact O-N 3.2Å; V607-L610 PolarHBondContact O-N 3.05Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 3.22Å; L610-E613 PolarHBondContact O-N 3.5Å; L610-E614 WeakPolarHBondContact O-CB 3.26Å; L610-E614 PolarHBondContact O-N 2.96Å |
| 611 | I | 90.2 | Very high | 88 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 175.9 | -69.8 | 166.3 | 0 | 0 | 0 | 111.3 | V607 T609 I615 | V607-I611 HydrophobicContact CG1-CD1 3.87Å; V607-I611 VanDerWaalsContact O-CG1 3.29Å; V607-I611 WeakPolarHBondContact O-CG1 3.48Å; V607-I611 PolarHBondContact O-N 2.83Å; T609-I611 VanDerWaalsContact C-N 3.32Å; T609-I611 PolarHBondContact O-N 3.19Å; I611-I615 HydrophobicContact CG2-CD1 3.87Å; I611-I615 WeakPolarHBondContact O-CB 3.37Å; I611-I615 WeakPolarHBondContact O-CD1 3.42Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.47Å |
| 612 | R | 91.5 | Very high | 89.1 | Confident | 154 Ų | 154 | 88.4 Ų | 88.4 | 58% | 0.581 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 175.7 | -71.8 | 164.4 | 179.7 | 169.7 | -0.2 | 112 | L608 T609 L610 I615 I616 | L608-R612 WeakPolarHBondContact O-CD 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.24Å; L608-R612 PolarHBondContact O-N 3.32Å; L608-R612 VanDerWaalsContact O-N 3.16Å; T609-R612 CarbonylContact O-C 3.6Å; T609-R612 WeakPolarHBondContact O-CA 3.27Å; T609-R612 WeakPolarHBondContact O-CB 3.46Å; T609-R612 PolarHBondContact O-N 3.07Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 3.22Å; R612-I615 PolarHBondContact O-N 2.65Å; R612-I616 WeakPolarHBondContact O-CB 3.43Å; R612-I616 WeakPolarHBondContact O-CD1 3.39Å; R612-I616 WeakPolarHBondContact O-CG1 3.48Å; R612-I616 PolarHBondContact O-N 2.81Å |
| 613 | E | 92.3 | Very high | 90.1 | Very high | 102 Ų | 102 | 88.6 Ų | 88.6 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.6 | -71.5 | 169.5 | 166.4 | 0 | 0 | 111.3 | T609 L610 I616 T617 | T609-E613 HydrophobicContact CG2-CG 4.27Å; T609-E613 WeakPolarHBondContact CG2-OE1 3.41Å; T609-E613 WeakPolarHBondContact O-CG 3.38Å; T609-E613 PolarHBondContact O-N 3.47Å; L610-E613 PolarHBondContact O-N 3.5Å; E613-I616 PolarHBondContact O-N 3.24Å; E613-T617 WeakPolarHBondContact O-CB 3.32Å; E613-T617 PolarHBondContact O-N 3.45Å; E613-T617 PolarHBondContact O-OG1 2.97Å |
| 614 | E | 93 | Very high | 90.9 | Very high | 106 Ų | 106 | 90 Ų | 90 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 172.3 | -175.9 | 65.7 | -151.6 | 0 | 0 | 111.3 | L610 I616 T617 K618 | L610-E614 WeakPolarHBondContact O-CB 3.26Å; L610-E614 PolarHBondContact O-N 2.96Å; E614-I616 PolarHBondContact O-N 2.94Å; E614-T617 PolarHBondContact O-N 3Å; E614-K618 VanDerWaalsContact O-CG 3.31Å; E614-K618 WeakPolarHBondContact O-CG 3.43Å; E614-K618 PolarHBondContact O-N 3.46Å; E614-K618 WeakPolarHBondContact OE1-CE 3.38Å; E614-K618 IonicContact OE1-NZ 2.76Å |
| 615 | I | 93 | Very high | 91.6 | Very high | 100 Ų | 100 | 93.8 Ų | 93.8 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 176.4 | -73 | 165.6 | 0 | 0 | 0 | 111.2 | I611 R612 T617 K618 E619 | I611-I615 HydrophobicContact CG2-CD1 3.87Å; I611-I615 WeakPolarHBondContact O-CB 3.37Å; I611-I615 WeakPolarHBondContact O-CD1 3.42Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.47Å; R612-I615 PolarHBondContact O-N 2.65Å; I615-T617 VanDerWaalsContact C-N 3.32Å; I615-T617 PolarHBondContact O-N 2.88Å; I615-K618 PolarHBondContact O-N 3.34Å; I615-E619 WeakPolarHBondContact O-CB 3.29Å; I615-E619 PolarHBondContact O-N 2.71Å |
| 616 | I | 94.4 | Very high | 92.3 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.2 | -70.8 | 163.3 | 0 | 0 | 0 | 110.5 | R612 E613 E614 E619 I620 | R612-I616 WeakPolarHBondContact O-CB 3.43Å; R612-I616 WeakPolarHBondContact O-CD1 3.39Å; R612-I616 WeakPolarHBondContact O-CG1 3.48Å; R612-I616 PolarHBondContact O-N 2.81Å; E613-I616 PolarHBondContact O-N 3.24Å; E614-I616 PolarHBondContact O-N 2.94Å; I616-E619 PolarHBondContact O-N 2.99Å; I616-I620 HydrophobicContact CG2-CD1 3.85Å; I616-I620 VanDerWaalsContact O-CG1 3.27Å; I616-I620 WeakPolarHBondContact O-CG1 3.31Å; I616-I620 PolarHBondContact O-N 3.09Å |
| 617 | T | 93.1 | Very high | 93 | Very high | 65 Ų | 65 | 101 Ų | 101 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | E613 E614 I615 I620 E621 | E613-T617 WeakPolarHBondContact O-CB 3.32Å; E613-T617 PolarHBondContact O-N 3.45Å; E613-T617 PolarHBondContact O-OG1 2.97Å; E614-T617 PolarHBondContact O-N 3Å; I615-T617 VanDerWaalsContact C-N 3.32Å; I615-T617 PolarHBondContact O-N 2.88Å; T617-I620 PolarHBondContact O-N 3.37Å; T617-E621 WeakPolarHBondContact O-CG 3.42Å; T617-E621 PolarHBondContact O-N 3.03Å |
| 618 | K | 94.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 101.5 Ų | 101.5 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.7 | -32.6 | 176.4 | -65.4 | -66.7 | 152.7 | -146.5 | 0 | 113 | E614 I615 E621 A622 | E614-K618 VanDerWaalsContact O-CG 3.31Å; E614-K618 WeakPolarHBondContact O-CG 3.43Å; E614-K618 PolarHBondContact O-N 3.46Å; E614-K618 WeakPolarHBondContact OE1-CE 3.38Å; E614-K618 IonicContact OE1-NZ 2.76Å; I615-K618 PolarHBondContact O-N 3.34Å; K618-E621 WeakPolarHBondContact CD-OE2 3.43Å; K618-E621 IonicContact NZ-OE1 2.62Å; K618-E621 PolarHBondContact NZ-OE1 2.91Å; K618-E621 IonicContact NZ-OE2 2.68Å; K618-E621 PolarHBondContact NZ-OE2 3.06Å; K618-A622 VanDerWaalsContact O-CB 3.24Å; K618-A622 WeakPolarHBondContact O-CB 3.47Å; K618-A622 PolarHBondContact O-N 2.89Å |
| 619 | E | 94.4 | Very high | 94 | Very high | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.2 | -37.2 | 172.9 | -175.4 | 163.4 | -144.7 | 0 | 0 | 111.8 | I615 I616 N623 | I615-E619 WeakPolarHBondContact O-CB 3.29Å; I615-E619 PolarHBondContact O-N 2.71Å; I616-E619 PolarHBondContact O-N 2.99Å; E619-N623 WeakPolarHBondContact O-CB 3.46Å; E619-N623 PolarHBondContact O-N 2.93Å; E619-N623 PolarHBondContact O-ND2 3.31Å |
| 620 | I | 94.3 | Very high | 94.4 | Very high | 94 Ų | 94 | 106.2 Ų | 106.2 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -50 | 171.7 | -69.1 | 164.4 | 0 | 0 | 0 | 110.4 | I616 T617 A622 N623 E624 | I616-I620 HydrophobicContact CG2-CD1 3.85Å; I616-I620 VanDerWaalsContact O-CG1 3.27Å; I616-I620 WeakPolarHBondContact O-CG1 3.31Å; I616-I620 PolarHBondContact O-N 3.09Å; T617-I620 PolarHBondContact O-N 3.37Å; I620-A622 VanDerWaalsContact C-N 3.33Å; I620-A622 PolarHBondContact O-N 3.39Å; I620-N623 PolarHBondContact O-N 3.41Å; I620-E624 PolarHBondContact O-N 3.49Å |
| 621 | E | 95.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 105.2 Ų | 105.2 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.9 | -46.6 | 175 | -76.4 | 177.6 | -166.6 | 0 | 0 | 111.8 | T617 K618 N623 E624 W625 | T617-E621 WeakPolarHBondContact O-CG 3.42Å; T617-E621 PolarHBondContact O-N 3.03Å; K618-E621 WeakPolarHBondContact CD-OE2 3.43Å; K618-E621 IonicContact NZ-OE1 2.62Å; K618-E621 PolarHBondContact NZ-OE1 2.91Å; K618-E621 IonicContact NZ-OE2 2.68Å; K618-E621 PolarHBondContact NZ-OE2 3.06Å; E621-N623 PolarHBondContact O-N 2.96Å; E621-E624 WeakPolarHBondContact O-CB 3.48Å; E621-E624 PolarHBondContact O-N 2.88Å; E621-W625 PolarHBondContact O-N 3.36Å |
| 622 | A | 94.8 | Very high | 95 | Very high | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K618 I620 W625 K626 | K618-A622 VanDerWaalsContact O-CB 3.24Å; K618-A622 WeakPolarHBondContact O-CB 3.47Å; K618-A622 PolarHBondContact O-N 2.89Å; I620-A622 VanDerWaalsContact C-N 3.33Å; I620-A622 PolarHBondContact O-N 3.39Å; A622-W625 PolarHBondContact O-N 3.32Å; A622-K626 VanDerWaalsContact O-CB 3.3Å; A622-K626 WeakPolarHBondContact O-CB 3.38Å; A622-K626 PolarHBondContact O-N 3.18Å |
| 623 | N | 94.3 | Very high | 95.3 | Very high | 86 Ų | 86 | 103.1 Ų | 103.1 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.6 | -34.4 | 175.2 | -79.3 | -64.2 | 0 | 0 | 0 | 112.4 | E619 I620 E621 K627 | E619-N623 WeakPolarHBondContact O-CB 3.46Å; E619-N623 PolarHBondContact O-N 2.93Å; E619-N623 PolarHBondContact O-ND2 3.31Å; I620-N623 PolarHBondContact O-N 3.41Å; E621-N623 PolarHBondContact O-N 2.96Å; N623-K627 WeakPolarHBondContact O-CB 3.45Å; N623-K627 PolarHBondContact O-N 2.82Å |
| 624 | E | 96.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 102.1 Ų | 102.1 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 170 | -81 | -165.7 | -155.9 | 0 | 0 | 112.2 | I620 E621 K626 K627 K628 | I620-E624 PolarHBondContact O-N 3.49Å; E621-E624 WeakPolarHBondContact O-CB 3.48Å; E621-E624 PolarHBondContact O-N 2.88Å; E624-K626 VanDerWaalsContact C-N 3.34Å; E624-K627 PolarHBondContact O-N 2.87Å; E624-K628 WeakPolarHBondContact O-CB 3.49Å; E624-K628 WeakPolarHBondContact O-CD 3.35Å; E624-K628 VanDerWaalsContact O-CG 3.29Å; E624-K628 WeakPolarHBondContact O-CG 3.41Å; E624-K628 PolarHBondContact O-N 3.4Å; E624-K628 IonicContact OE2-NZ 2.75Å; E624-K628 PolarHBondContact OE2-NZ 2.88Å |
| 625 | W | 97.4 | Very high | 95.7 | Very high | 178 Ų | 178 | 102.7 Ų | 102.7 | 67% | 0.674 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 177.3 | -76.7 | 117.1 | 0 | 0 | 0 | 112 | E621 A622 K627 K628 Y629 | E621-W625 PolarHBondContact O-N 3.36Å; A622-W625 PolarHBondContact O-N 3.32Å; W625-K627 VanDerWaalsContact C-N 3.35Å; W625-K628 HydrophobicContact CE3-CD 4.12Å; W625-K628 HydrophobicContact CZ3-CD 4.36Å; W625-K628 PolarHBondContact O-N 3.44Å; W625-Y629 VanDerWaalsContact O-CB 3.32Å; W625-Y629 WeakPolarHBondContact O-CB 3.48Å; W625-Y629 PolarHBondContact O-N 2.9Å |
| 626 | K | 96.5 | Very high | 95.9 | Very high | 147 Ų | 147 | 100.6 Ų | 100.6 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 172.6 | -177.9 | -178.1 | 177.9 | -175.4 | 0 | 112 | A622 E624 E630 | A622-K626 VanDerWaalsContact O-CB 3.3Å; A622-K626 WeakPolarHBondContact O-CB 3.38Å; A622-K626 PolarHBondContact O-N 3.18Å; E624-K626 VanDerWaalsContact C-N 3.34Å; K626-E630 PolarHBondContact O-N 3.42Å; K626-E630 VanDerWaalsContact O-N 3.13Å |
| 627 | K | 97.1 | Very high | 96 | Very high | 128 Ų | 128 | 99.4 Ų | 99.4 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -52.8 | 175.7 | -178 | -174.6 | 160.4 | -178 | 0 | 111 | N623 E624 W625 Y629 E630 E631 | N623-K627 WeakPolarHBondContact O-CB 3.45Å; N623-K627 PolarHBondContact O-N 2.82Å; E624-K627 PolarHBondContact O-N 2.87Å; W625-K627 VanDerWaalsContact C-N 3.35Å; K627-Y629 VanDerWaalsContact C-N 3.27Å; K627-Y629 PolarHBondContact O-N 3.44Å; K627-E630 PolarHBondContact O-N 2.94Å; K627-E630 VanDerWaalsContact O-N 3.09Å; K627-E631 WeakPolarHBondContact CE-OE1 3.2Å; K627-E631 WeakPolarHBondContact CE-OE2 3.5Å; K627-E631 HydrophobicContact CG-CG 4.4Å; K627-E631 IonicContact NZ-OE1 2.7Å; K627-E631 PolarHBondContact NZ-OE1 2.79Å; K627-E631 WeakPolarHBondContact O-CG 3.31Å; K627-E631 PolarHBondContact O-N 3.44Å |
| 628 | K | 96.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 37% | 0.37 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55.8 | -41 | 177.9 | -71.5 | 158.7 | -179.9 | 157.5 | 0 | 111.9 | E624 W625 E631 T632 | E624-K628 WeakPolarHBondContact O-CB 3.49Å; E624-K628 WeakPolarHBondContact O-CD 3.35Å; E624-K628 VanDerWaalsContact O-CG 3.29Å; E624-K628 WeakPolarHBondContact O-CG 3.41Å; E624-K628 PolarHBondContact O-N 3.4Å; E624-K628 IonicContact OE2-NZ 2.75Å; E624-K628 PolarHBondContact OE2-NZ 2.88Å; W625-K628 HydrophobicContact CE3-CD 4.12Å; W625-K628 HydrophobicContact CZ3-CD 4.36Å; W625-K628 PolarHBondContact O-N 3.44Å; K628-E631 PolarHBondContact O-N 2.82Å; K628-T632 PolarHBondContact O-N 2.93Å; K628-T632 PolarHBondContact O-OG1 3.38Å |
| 629 | Y | 96.8 | Very high | 96.4 | Very high | 154 Ų | 154 | 102 Ų | 102 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 174.9 | 173.6 | -92.6 | 0 | 0 | 0 | 112.5 | W625 K627 T632 R633 | W625-Y629 VanDerWaalsContact O-CB 3.32Å; W625-Y629 WeakPolarHBondContact O-CB 3.48Å; W625-Y629 PolarHBondContact O-N 2.9Å; K627-Y629 VanDerWaalsContact C-N 3.27Å; K627-Y629 PolarHBondContact O-N 3.44Å; Y629-T632 PolarHBondContact O-N 2.87Å; Y629-R633 VanDerWaalsContact O-CB 3.23Å; Y629-R633 WeakPolarHBondContact O-CB 3.4Å; Y629-R633 PolarHBondContact O-N 3.18Å |
| 630 | E | 96.8 | Very high | 96.5 | Very high | 91 Ų | 91 | 104.1 Ų | 104.1 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.8 | -31.4 | -179.2 | -161.2 | 66.1 | -163.5 | 0 | 0 | 112 | K626 K627 R633 Q634 | K626-E630 PolarHBondContact O-N 3.42Å; K626-E630 VanDerWaalsContact O-N 3.13Å; K627-E630 PolarHBondContact O-N 2.94Å; K627-E630 VanDerWaalsContact O-N 3.09Å; E630-R633 PolarHBondContact O-N 3.04Å; E630-R633 IonicContact OE1-CZ 3.52Å; E630-R633 IonicContact OE1-NE 3.15Å; E630-R633 IonicContact OE1-NH1 3.27Å; E630-R633 PolarHBondContact OE1-NH1 2.84Å; E630-R633 VanDerWaalsContact OE2-CD 3.28Å; E630-R633 WeakPolarHBondContact OE2-CD 3.27Å; E630-R633 IonicContact OE2-CZ 3.73Å; E630-R633 IonicContact OE2-NE 3.33Å; E630-R633 IonicContact OE2-NH1 2.87Å; E630-R633 PolarHBondContact OE2-NH1 2.85Å; E630-Q634 WeakPolarHBondContact O-CB 3.49Å; E630-Q634 PolarHBondContact O-N 3.26Å |
| 631 | E | 96.4 | Very high | 96.7 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -54.4 | 170.2 | -73.2 | 173.4 | 143.6 | 0 | 0 | 111 | K627 K628 R633 Q634 E635 | K627-E631 WeakPolarHBondContact CE-OE1 3.2Å; K627-E631 WeakPolarHBondContact CE-OE2 3.5Å; K627-E631 HydrophobicContact CG-CG 4.4Å; K627-E631 IonicContact NZ-OE1 2.7Å; K627-E631 PolarHBondContact NZ-OE1 2.79Å; K627-E631 WeakPolarHBondContact O-CG 3.31Å; K627-E631 PolarHBondContact O-N 3.44Å; K628-E631 PolarHBondContact O-N 2.82Å; E631-R633 VanDerWaalsContact C-N 3.27Å; E631-R633 PolarHBondContact O-N 2.86Å; E631-Q634 WeakPolarHBondContact O-CB 3.5Å; E631-Q634 PolarHBondContact O-N 3.31Å; E631-E635 WeakPolarHBondContact O-CG 3.28Å; E631-E635 PolarHBondContact O-N 2.94Å |
| 632 | T | 96.2 | Very high | 96.8 | Very high | 77 Ų | 77 | 106.6 Ų | 106.6 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -30.5 | 176.2 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | K628 Y629 E635 V636 | K628-T632 PolarHBondContact O-N 2.93Å; K628-T632 PolarHBondContact O-OG1 3.38Å; Y629-T632 PolarHBondContact O-N 2.87Å; T632-E635 WeakPolarHBondContact CA-OE2 3.35Å; T632-E635 PolarHBondContact O-N 3.46Å; T632-E635 PolarHBondContact OG1-OE2 3.29Å; T632-V636 WeakPolarHBondContact O-CG2 2.82Å; T632-V636 PolarHBondContact O-N 3.42Å |
| 633 | R | 97.1 | Very high | 97 | Very high | 123 Ų | 123 | 107.2 Ų | 107.2 | 46% | 0.464 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 172 | -176.5 | -172.7 | 179.7 | -162.8 | -1 | 111.5 | Y629 E630 E631 V636 L637 | Y629-R633 VanDerWaalsContact O-CB 3.23Å; Y629-R633 WeakPolarHBondContact O-CB 3.4Å; Y629-R633 PolarHBondContact O-N 3.18Å; E630-R633 PolarHBondContact O-N 3.04Å; E630-R633 IonicContact OE1-CZ 3.52Å; E630-R633 IonicContact OE1-NE 3.15Å; E630-R633 IonicContact OE1-NH1 3.27Å; E630-R633 PolarHBondContact OE1-NH1 2.84Å; E630-R633 VanDerWaalsContact OE2-CD 3.28Å; E630-R633 WeakPolarHBondContact OE2-CD 3.27Å; E630-R633 IonicContact OE2-CZ 3.73Å; E630-R633 IonicContact OE2-NE 3.33Å; E630-R633 IonicContact OE2-NH1 2.87Å; E630-R633 PolarHBondContact OE2-NH1 2.85Å; E631-R633 VanDerWaalsContact C-N 3.27Å; E631-R633 PolarHBondContact O-N 2.86Å; R633-V636 PolarHBondContact O-N 3.48Å; R633-L637 WeakPolarHBondContact O-CG 3.32Å; R633-L637 PolarHBondContact O-N 3.45Å |
| 634 | Q | 97.5 | Very high | 97.2 | Very high | 82 Ų | 82 | 105.4 Ų | 105.4 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.1 | -179.1 | 65.3 | 16 | 0 | 0 | 111.5 | E630 E631 V636 L637 E638 | E630-Q634 WeakPolarHBondContact O-CB 3.49Å; E630-Q634 PolarHBondContact O-N 3.26Å; E631-Q634 WeakPolarHBondContact O-CB 3.5Å; E631-Q634 PolarHBondContact O-N 3.31Å; Q634-V636 VanDerWaalsContact C-N 3.31Å; Q634-V636 PolarHBondContact O-N 2.99Å; Q634-L637 WeakPolarHBondContact O-CB 3.22Å; Q634-L637 PolarHBondContact O-N 2.98Å; Q634-E638 PolarHBondContact NE2-OE1 3.23Å; Q634-E638 PolarHBondContact O-N 3.4Å |
| 635 | E | 96.6 | Very high | 97.2 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -55.4 | -44.8 | 174 | -67.5 | 171.3 | 157.9 | 0 | 0 | 111.6 | E631 T632 L637 E638 M639 | E631-E635 WeakPolarHBondContact O-CG 3.28Å; E631-E635 PolarHBondContact O-N 2.94Å; T632-E635 WeakPolarHBondContact CA-OE2 3.35Å; T632-E635 PolarHBondContact O-N 3.46Å; T632-E635 PolarHBondContact OG1-OE2 3.29Å; E635-L637 PolarHBondContact O-N 2.8Å; E635-E638 PolarHBondContact O-N 3.43Å; E635-M639 WeakPolarHBondContact O-CB 3.43Å; E635-M639 PolarHBondContact O-N 3.1Å |
| 636 | V | 97.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 104.4 Ų | 104.4 | 34% | 0.339 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 176 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | T632 R633 Q634 R640 | T632-V636 WeakPolarHBondContact O-CG2 2.82Å; T632-V636 PolarHBondContact O-N 3.42Å; R633-V636 PolarHBondContact O-N 3.48Å; Q634-V636 VanDerWaalsContact C-N 3.31Å; Q634-V636 PolarHBondContact O-N 2.99Å; V636-R640 WeakPolarHBondContact O-CB 3.44Å; V636-R640 VanDerWaalsContact O-CG 3.24Å; V636-R640 WeakPolarHBondContact O-CG 3.2Å; V636-R640 PolarHBondContact O-N 3.38Å |
| 637 | L | 97.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 103.3 Ų | 103.3 | 36% | 0.356 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 174.2 | -72.1 | 171.5 | 0 | 0 | 0 | 112.4 | R633 Q634 E635 K641 | R633-L637 WeakPolarHBondContact O-CG 3.32Å; R633-L637 PolarHBondContact O-N 3.45Å; Q634-L637 WeakPolarHBondContact O-CB 3.22Å; Q634-L637 PolarHBondContact O-N 2.98Å; E635-L637 PolarHBondContact O-N 2.8Å; L637-K641 WeakPolarHBondContact O-CG 3.45Å; L637-K641 PolarHBondContact O-N 3.29Å |
| 638 | E | 96.9 | Very high | 97.4 | Very high | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.8 | -42.6 | 176.3 | -72.4 | 176.4 | -173.6 | 0 | 0 | 111.9 | Q634 E635 R640 K641 I642 | Q634-E638 PolarHBondContact NE2-OE1 3.23Å; Q634-E638 PolarHBondContact O-N 3.4Å; E635-E638 PolarHBondContact O-N 3.43Å; E638-R640 VanDerWaalsContact C-N 3.28Å; E638-R640 PolarHBondContact O-N 2.75Å; E638-K641 WeakPolarHBondContact O-CB 3.39Å; E638-K641 PolarHBondContact O-N 3.08Å; E638-K641 VanDerWaalsContact O-N 3.1Å; E638-I642 WeakPolarHBondContact O-CG1 3.37Å; E638-I642 PolarHBondContact O-N 3.5Å |
| 639 | M | 97.6 | Very high | 97.5 | Very high | 118 Ų | 118 | 102.4 Ų | 102.4 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.8 | -36.1 | 171.9 | -177.1 | 156.6 | 49.5 | 0 | 0 | 112.2 | E635 I642 V643 | E635-M639 WeakPolarHBondContact O-CB 3.43Å; E635-M639 PolarHBondContact O-N 3.1Å; M639-I642 PolarHBondContact O-N 3.01Å; M639-V643 WeakPolarHBondContact O-CG2 3.35Å; M639-V643 PolarHBondContact O-N 3.06Å |
| 640 | R | 97.9 | Very high | 97.5 | Very high | 166 Ų | 166 | 99.7 Ų | 99.7 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 172.2 | -77 | 170.4 | -177.4 | -176.4 | 1.5 | 113.3 | V636 E638 V643 A644 | V636-R640 WeakPolarHBondContact O-CB 3.44Å; V636-R640 VanDerWaalsContact O-CG 3.24Å; V636-R640 WeakPolarHBondContact O-CG 3.2Å; V636-R640 PolarHBondContact O-N 3.38Å; E638-R640 VanDerWaalsContact C-N 3.28Å; E638-R640 PolarHBondContact O-N 2.75Å; R640-V643 PolarHBondContact O-N 2.83Å; R640-A644 WeakPolarHBondContact O-CB 3.24Å; R640-A644 PolarHBondContact O-N 3.29Å |
| 641 | K | 98.3 | Very high | 97.6 | Very high | 125 Ų | 125 | 97.6 Ų | 97.6 | 54% | 0.543 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.2 | -66.3 | 165.2 | -167.6 | 166 | 0 | 111.1 | L637 E638 A644 E645 | L637-K641 WeakPolarHBondContact O-CG 3.45Å; L637-K641 PolarHBondContact O-N 3.29Å; E638-K641 WeakPolarHBondContact O-CB 3.39Å; E638-K641 PolarHBondContact O-N 3.08Å; E638-K641 VanDerWaalsContact O-N 3.1Å; K641-A644 PolarHBondContact O-N 3.48Å; K641-E645 PolarHBondContact O-N 3.45Å |
| 642 | I | 98 | Very high | 97.7 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 178.3 | -68 | 166.8 | 0 | 0 | 0 | 110.6 | E638 M639 E645 Y646 | E638-I642 WeakPolarHBondContact O-CG1 3.37Å; E638-I642 PolarHBondContact O-N 3.5Å; M639-I642 PolarHBondContact O-N 3.01Å; I642-E645 PolarHBondContact O-N 3.06Å; I642-Y646 HydrophobicContact CG2-CD2 3.77Å; I642-Y646 HydrophobicContact CG2-CE2 3.47Å; I642-Y646 VanDerWaalsContact CG2-CE2 3.47Å; I642-Y646 WeakPolarHBondContact O-CD2 3.47Å; I642-Y646 PolarHBondContact O-N 3.24Å |
| 643 | V | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 100 Ų | 100 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | M639 R640 E645 Y646 E647 | M639-V643 WeakPolarHBondContact O-CG2 3.35Å; M639-V643 PolarHBondContact O-N 3.06Å; R640-V643 PolarHBondContact O-N 2.83Å; V643-E645 VanDerWaalsContact C-N 3.34Å; V643-E645 PolarHBondContact O-N 3.42Å; V643-Y646 WeakPolarHBondContact O-CB 3.43Å; V643-Y646 PolarHBondContact O-N 2.93Å; V643-Y646 VanDerWaalsContact O-N 3.1Å; V643-E647 HydrophobicContact CG1-CG 4.21Å; V643-E647 WeakPolarHBondContact O-CG 3.3Å; V643-E647 PolarHBondContact O-N 3.1Å |
| 644 | A | 97.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R640 K641 K648 | R640-A644 WeakPolarHBondContact O-CB 3.24Å; R640-A644 PolarHBondContact O-N 3.29Å; K641-A644 PolarHBondContact O-N 3.48Å; A644-K648 VanDerWaalsContact O-CB 3.22Å; A644-K648 WeakPolarHBondContact O-CB 3.44Å; A644-K648 PolarHBondContact O-N 3.16Å |
| 645 | E | 97.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 99.5 Ų | 99.5 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.8 | -31.7 | 174.1 | -71.3 | -65.2 | 150.9 | 0 | 0 | 112.3 | K641 I642 V643 K648 T649 | K641-E645 PolarHBondContact O-N 3.45Å; I642-E645 PolarHBondContact O-N 3.06Å; V643-E645 VanDerWaalsContact C-N 3.34Å; V643-E645 PolarHBondContact O-N 3.42Å; E645-K648 IonicContact OE1-NZ 2.66Å; E645-K648 PolarHBondContact OE1-NZ 2.96Å; E645-K648 IonicContact OE2-NZ 3.11Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; E645-T649 WeakPolarHBondContact O-CB 3.42Å; E645-T649 PolarHBondContact O-N 3.14Å; E645-T649 PolarHBondContact O-OG1 2.93Å |
| 646 | Y | 98.3 | Very high | 97.8 | Very high | 156 Ų | 156 | 96.7 Ų | 96.7 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68 | -45.5 | 169.6 | -78.7 | -57 | 0 | 0 | 0 | 112.5 | I642 V643 K648 T649 I650 | I642-Y646 HydrophobicContact CG2-CD2 3.77Å; I642-Y646 HydrophobicContact CG2-CE2 3.47Å; I642-Y646 VanDerWaalsContact CG2-CE2 3.47Å; I642-Y646 WeakPolarHBondContact O-CD2 3.47Å; I642-Y646 PolarHBondContact O-N 3.24Å; V643-Y646 WeakPolarHBondContact O-CB 3.43Å; V643-Y646 PolarHBondContact O-N 2.93Å; V643-Y646 VanDerWaalsContact O-N 3.1Å; Y646-K648 VanDerWaalsContact C-N 3.32Å; Y646-K648 PolarHBondContact O-N 2.84Å; Y646-T649 PolarHBondContact O-N 3.45Å; Y646-T649 VanDerWaalsContact O-N 3.14Å; Y646-I650 VanDerWaalsContact O-CG1 3.31Å; Y646-I650 WeakPolarHBondContact O-CG1 3.33Å; Y646-I650 PolarHBondContact O-N 2.85Å |
| 647 | E | 97.6 | Very high | 97.8 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.8 | -46.4 | 175.8 | -72.6 | 171.9 | 166.8 | 0 | 0 | 111.1 | V643 I650 A651 | V643-E647 HydrophobicContact CG1-CG 4.21Å; V643-E647 WeakPolarHBondContact O-CG 3.3Å; V643-E647 PolarHBondContact O-N 3.1Å; E647-I650 PolarHBondContact O-N 3.32Å; E647-A651 WeakPolarHBondContact O-CB 2.89Å; E647-A651 PolarHBondContact O-N 3.3Å |
| 648 | K | 98.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 103.3 Ų | 103.3 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.7 | 173.5 | 179.8 | 158.5 | -146.4 | 0 | 113 | A644 E645 Y646 A651 Q652 | A644-K648 VanDerWaalsContact O-CB 3.22Å; A644-K648 WeakPolarHBondContact O-CB 3.44Å; A644-K648 PolarHBondContact O-N 3.16Å; E645-K648 IonicContact OE1-NZ 2.66Å; E645-K648 PolarHBondContact OE1-NZ 2.96Å; E645-K648 IonicContact OE2-NZ 3.11Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; Y646-K648 VanDerWaalsContact C-N 3.32Å; Y646-K648 PolarHBondContact O-N 2.84Å; K648-A651 PolarHBondContact O-N 3.02Å; K648-Q652 WeakPolarHBondContact O-CB 3.42Å; K648-Q652 PolarHBondContact O-N 2.71Å |
| 649 | T | 98.1 | Very high | 97.8 | Very high | 71 Ų | 71 | 104.6 Ų | 104.6 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | E645 Y646 Q652 M653 | E645-T649 WeakPolarHBondContact O-CB 3.42Å; E645-T649 PolarHBondContact O-N 3.14Å; E645-T649 PolarHBondContact O-OG1 2.93Å; Y646-T649 PolarHBondContact O-N 3.45Å; Y646-T649 VanDerWaalsContact O-N 3.14Å; T649-Q652 PolarHBondContact O-N 2.85Å; T649-M653 HydrophobicContact CG2-SD 4.45Å; T649-M653 WeakPolarHBondContact O-CG 3.42Å; T649-M653 PolarHBondContact O-N 3.33Å |
| 650 | I | 98.2 | Very high | 97.8 | Very high | 98 Ų | 98 | 103.3 Ų | 103.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 177 | -67.7 | 163 | 0 | 0 | 0 | 110.6 | Y646 E647 M653 I654 | Y646-I650 VanDerWaalsContact O-CG1 3.31Å; Y646-I650 WeakPolarHBondContact O-CG1 3.33Å; Y646-I650 PolarHBondContact O-N 2.85Å; E647-I650 PolarHBondContact O-N 3.32Å; I650-M653 PolarHBondContact O-N 3.05Å; I650-I654 HydrophobicContact CG2-CD1 3.89Å; I650-I654 WeakPolarHBondContact O-CG1 3.33Å; I650-I654 PolarHBondContact O-N 2.91Å |
| 651 | A | 98.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 98.5 Ų | 98.5 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E647 K648 M653 I654 E655 | E647-A651 WeakPolarHBondContact O-CB 2.89Å; E647-A651 PolarHBondContact O-N 3.3Å; K648-A651 PolarHBondContact O-N 3.02Å; A651-M653 PolarHBondContact O-N 3.02Å; A651-I654 PolarHBondContact O-N 3.44Å; A651-E655 PolarHBondContact O-N 3.31Å |
| 652 | Q | 98.1 | Very high | 97.8 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.4 | -173.5 | 66.3 | 66.2 | 0 | 0 | 111.9 | K648 T649 I654 E655 D656 | K648-Q652 WeakPolarHBondContact O-CB 3.42Å; K648-Q652 PolarHBondContact O-N 2.71Å; T649-Q652 PolarHBondContact O-N 2.85Å; Q652-I654 PolarHBondContact O-N 3.45Å; Q652-E655 PolarHBondContact O-N 2.97Å; Q652-D656 PolarHBondContact NE2-OD1 2.88Å; Q652-D656 WeakPolarHBondContact O-CB 3.36Å; Q652-D656 PolarHBondContact O-N 3.24Å |
| 653 | M | 97.8 | Very high | 97.8 | Very high | 125 Ų | 125 | 96.6 Ų | 96.6 | 62% | 0.616 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 176.7 | -75.1 | 179.3 | 64.4 | 0 | 0 | 112.4 | T649 I650 A651 D656 E657 | T649-M653 HydrophobicContact CG2-SD 4.45Å; T649-M653 WeakPolarHBondContact O-CG 3.42Å; T649-M653 PolarHBondContact O-N 3.33Å; I650-M653 PolarHBondContact O-N 3.05Å; A651-M653 PolarHBondContact O-N 3.02Å; M653-D656 PolarHBondContact O-N 2.99Å; M653-E657 WeakPolarHBondContact O-CB 3.44Å; M653-E657 PolarHBondContact O-N 2.93Å |
| 654 | I | 97.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 96.8 Ų | 96.8 | 42% | 0.415 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 177.4 | -66.8 | 164.8 | 0 | 0 | 0 | 110.8 | I650 A651 Q652 D656 E657 Q658 | I650-I654 HydrophobicContact CG2-CD1 3.89Å; I650-I654 WeakPolarHBondContact O-CG1 3.33Å; I650-I654 PolarHBondContact O-N 2.91Å; A651-I654 PolarHBondContact O-N 3.44Å; Q652-I654 PolarHBondContact O-N 3.45Å; I654-D656 VanDerWaalsContact C-N 3.34Å; I654-E657 PolarHBondContact O-N 3.45Å; I654-Q658 WeakPolarHBondContact O-CB 3.42Å; I654-Q658 VanDerWaalsContact O-CG 3.3Å; I654-Q658 WeakPolarHBondContact O-CG 3.3Å; I654-Q658 PolarHBondContact O-N 2.82Å |
| 655 | E | 97.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 99.1 Ų | 99.1 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 174.3 | -74.8 | -171.6 | -154.3 | 0 | 0 | 112.3 | A651 Q652 R659 | A651-E655 PolarHBondContact O-N 3.31Å; Q652-E655 PolarHBondContact O-N 2.97Å; E655-R659 WeakPolarHBondContact O-CB 3.45Å; E655-R659 PolarHBondContact O-N 2.95Å |
| 656 | D | 97.6 | Very high | 97.8 | Very high | 59 Ų | 59 | 100.5 Ų | 100.5 | 32% | 0.316 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 178.3 | -69.5 | -9.3 | 0 | 0 | 0 | 111.6 | Q652 M653 I654 R659 T660 | Q652-D656 PolarHBondContact NE2-OD1 2.88Å; Q652-D656 WeakPolarHBondContact O-CB 3.36Å; Q652-D656 PolarHBondContact O-N 3.24Å; M653-D656 PolarHBondContact O-N 2.99Å; I654-D656 VanDerWaalsContact C-N 3.34Å; D656-R659 PolarHBondContact O-N 3Å; D656-R659 IonicContact OD1-CZ 3.87Å; D656-R659 IonicContact OD1-NH1 2.69Å; D656-R659 PolarHBondContact OD1-NH1 3.43Å; D656-R659 IonicContact OD1-NH2 2.6Å; D656-R659 PolarHBondContact OD1-NH2 3.35Å; D656-T660 WeakPolarHBondContact O-CB 3.43Å; D656-T660 WeakPolarHBondContact O-CG2 3.38Å; D656-T660 PolarHBondContact O-N 3.46Å; D656-T660 PolarHBondContact O-OG1 3.02Å |
| 657 | E | 97.2 | Very high | 97.7 | Very high | 139 Ų | 139 | 96 Ų | 96 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -46 | 172.9 | -175.2 | 173.1 | -157 | 0 | 0 | 111.3 | M653 I654 R659 T660 S661 | M653-E657 WeakPolarHBondContact O-CB 3.44Å; M653-E657 PolarHBondContact O-N 2.93Å; I654-E657 PolarHBondContact O-N 3.45Å; E657-R659 PolarHBondContact O-N 3.26Å; E657-T660 WeakPolarHBondContact CA-OG1 3.32Å; E657-T660 PolarHBondContact O-N 3.44Å; E657-T660 PolarHBondContact O-OG1 3.43Å; E657-T660 VanDerWaalsContact O-OG1 3.07Å; E657-S661 WeakPolarHBondContact O-CB 2.78Å; E657-S661 PolarHBondContact O-N 3.32Å |
| 658 | Q | 97.5 | Very high | 97.8 | Very high | 124 Ų | 124 | 96.9 Ų | 96.9 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 176 | -73.2 | 179.5 | 22.8 | 0 | 0 | 111.9 | I654 M662 | I654-Q658 WeakPolarHBondContact O-CB 3.42Å; I654-Q658 VanDerWaalsContact O-CG 3.3Å; I654-Q658 WeakPolarHBondContact O-CG 3.3Å; I654-Q658 PolarHBondContact O-N 2.82Å; Q658-M662 WeakPolarHBondContact O-CB 3.49Å; Q658-M662 VanDerWaalsContact O-CG 3.25Å; Q658-M662 WeakPolarHBondContact O-CG 3.44Å; Q658-M662 PolarHBondContact O-N 3.42Å |
| 659 | R | 97.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 96 Ų | 96 | 46% | 0.457 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | -179.3 | -161.9 | -174.3 | -39 | 103.2 | 8.7 | 112.1 | E655 D656 E657 T663 | E655-R659 WeakPolarHBondContact O-CB 3.45Å; E655-R659 PolarHBondContact O-N 2.95Å; D656-R659 PolarHBondContact O-N 3Å; D656-R659 IonicContact OD1-CZ 3.87Å; D656-R659 IonicContact OD1-NH1 2.69Å; D656-R659 PolarHBondContact OD1-NH1 3.43Å; D656-R659 IonicContact OD1-NH2 2.6Å; D656-R659 PolarHBondContact OD1-NH2 3.35Å; E657-R659 PolarHBondContact O-N 3.26Å; R659-T663 WeakPolarHBondContact O-CB 3.49Å; R659-T663 PolarHBondContact O-N 2.96Å; R659-T663 VanDerWaalsContact O-N 3.11Å; R659-T663 PolarHBondContact O-OG1 3.17Å |
| 660 | T | 97.1 | Very high | 97.8 | Very high | 90 Ų | 90 | 98 Ų | 98 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.4 | -42.6 | 174.9 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | D656 E657 T663 S664 | D656-T660 WeakPolarHBondContact O-CB 3.43Å; D656-T660 WeakPolarHBondContact O-CG2 3.38Å; D656-T660 PolarHBondContact O-N 3.46Å; D656-T660 PolarHBondContact O-OG1 3.02Å; E657-T660 WeakPolarHBondContact CA-OG1 3.32Å; E657-T660 PolarHBondContact O-N 3.44Å; E657-T660 PolarHBondContact O-OG1 3.43Å; E657-T660 VanDerWaalsContact O-OG1 3.07Å; T660-T663 WeakPolarHBondContact O-CB 3.47Å; T660-T663 PolarHBondContact O-N 2.9Å; T660-T663 VanDerWaalsContact O-N 3.1Å; T660-S664 PolarHBondContact O-N 2.87Å; T660-S664 PolarHBondContact O-OG 3.47Å |
| 661 | S | 97.4 | Very high | 97.8 | Very high | 66 Ų | 66 | 98.1 Ų | 98.1 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 173.1 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | E657 T663 S664 Q665 | E657-S661 WeakPolarHBondContact O-CB 2.78Å; E657-S661 PolarHBondContact O-N 3.32Å; S661-T663 PolarHBondContact O-N 2.98Å; S661-S664 PolarHBondContact O-N 3.2Å; S661-S664 PolarHBondContact O-OG 2.93Å; S661-S664 VanDerWaalsContact O-OG 3.08Å; S661-Q665 VanDerWaalsContact O-CB 3.26Å; S661-Q665 WeakPolarHBondContact O-CB 3.5Å; S661-Q665 PolarHBondContact O-N 3.17Å |
| 662 | M | 97.7 | Very high | 97.9 | Very high | 96 Ų | 96 | 98 Ų | 98 | 47% | 0.473 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -20.9 | 174.7 | -72.7 | -61.3 | -59.6 | 0 | 0 | 113.4 | Q658 K666 | Q658-M662 WeakPolarHBondContact O-CB 3.49Å; Q658-M662 VanDerWaalsContact O-CG 3.25Å; Q658-M662 WeakPolarHBondContact O-CG 3.44Å; Q658-M662 PolarHBondContact O-N 3.42Å; M662-K666 VanDerWaalsContact O-CD 3.31Å; M662-K666 WeakPolarHBondContact O-CD 3.33Å; M662-K666 VanDerWaalsContact O-CG 3.25Å; M662-K666 WeakPolarHBondContact O-CG 3.41Å |
| 663 | T | 97.6 | Very high | 97.9 | Very high | 86 Ų | 86 | 100 Ų | 100 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -86.1 | -43.2 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | R659 T660 S661 K666 S667 | R659-T663 WeakPolarHBondContact O-CB 3.49Å; R659-T663 PolarHBondContact O-N 2.96Å; R659-T663 VanDerWaalsContact O-N 3.11Å; R659-T663 PolarHBondContact O-OG1 3.17Å; T660-T663 WeakPolarHBondContact O-CB 3.47Å; T660-T663 PolarHBondContact O-N 2.9Å; T660-T663 VanDerWaalsContact O-N 3.1Å; S661-T663 PolarHBondContact O-N 2.98Å; T663-K666 PolarHBondContact O-N 3.5Å; T663-S667 PolarHBondContact O-N 3.32Å |
| 664 | S | 97.3 | Very high | 97.9 | Very high | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 175.2 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | T660 S661 K666 S667 F668 | T660-S664 PolarHBondContact O-N 2.87Å; T660-S664 PolarHBondContact O-OG 3.47Å; S661-S664 PolarHBondContact O-N 3.2Å; S661-S664 PolarHBondContact O-OG 2.93Å; S661-S664 VanDerWaalsContact O-OG 3.08Å; S664-K666 PolarHBondContact O-N 3Å; S664-S667 PolarHBondContact O-N 3.05Å; S664-F668 WeakPolarHBondContact O-CB 3.49Å; S664-F668 PolarHBondContact O-N 2.91Å |
| 665 | Q | 98.3 | Very high | 98 | Very high | 95 Ų | 95 | 101.6 Ų | 101.6 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.1 | -173.9 | -177.3 | 59.6 | 0 | 0 | 112.1 | S661 F668 Q669 | S661-Q665 VanDerWaalsContact O-CB 3.26Å; S661-Q665 WeakPolarHBondContact O-CB 3.5Å; S661-Q665 PolarHBondContact O-N 3.17Å; Q665-F668 PolarHBondContact O-N 2.93Å; Q665-Q669 WeakPolarHBondContact O-CG 3.32Å; Q665-Q669 PolarHBondContact O-N 3.01Å |
| 666 | K | 98.3 | Very high | 98 | Very high | 129 Ų | 129 | 101.9 Ų | 101.9 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 175.2 | -73.5 | 170.7 | -173.6 | 175.6 | 0 | 112 | M662 T663 S664 F668 Q669 Q670 | M662-K666 VanDerWaalsContact O-CD 3.31Å; M662-K666 WeakPolarHBondContact O-CD 3.33Å; M662-K666 VanDerWaalsContact O-CG 3.25Å; M662-K666 WeakPolarHBondContact O-CG 3.41Å; T663-K666 PolarHBondContact O-N 3.5Å; S664-K666 PolarHBondContact O-N 3Å; K666-F668 VanDerWaalsContact C-N 3.34Å; K666-F668 PolarHBondContact O-N 3.25Å; K666-Q669 PolarHBondContact O-N 3.42Å; K666-Q670 PolarHBondContact O-N 3.38Å |
| 667 | S | 98.1 | Very high | 98.1 | Very high | 62 Ų | 62 | 104.3 Ų | 104.3 | 43% | 0.434 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | T663 S664 Q670 L671 | T663-S667 PolarHBondContact O-N 3.32Å; S664-S667 PolarHBondContact O-N 3.05Å; S667-Q670 PolarHBondContact O-N 3.32Å; S667-L671 WeakPolarHBondContact O-CB 3.44Å; S667-L671 WeakPolarHBondContact O-CG 3.27Å; S667-L671 PolarHBondContact O-N 2.97Å |
| 668 | F | 98.4 | Very high | 98.1 | Very high | 142 Ų | 142 | 100.5 Ų | 100.5 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 175.2 | 178.8 | -93.2 | 0 | 0 | 0 | 112.7 | S664 Q665 K666 L671 T672 | S664-F668 WeakPolarHBondContact O-CB 3.49Å; S664-F668 PolarHBondContact O-N 2.91Å; Q665-F668 PolarHBondContact O-N 2.93Å; K666-F668 VanDerWaalsContact C-N 3.34Å; K666-F668 PolarHBondContact O-N 3.25Å; F668-L671 PolarHBondContact O-N 3.47Å; F668-T672 WeakPolarHBondContact O-CB 3.43Å; F668-T672 PolarHBondContact O-N 2.91Å; F668-T672 PolarHBondContact O-OG1 3.48Å |
| 669 | Q | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.7 | -74.6 | 169.8 | -6.8 | 0 | 0 | 111.5 | Q665 K666 T672 M673 | Q665-Q669 WeakPolarHBondContact O-CG 3.32Å; Q665-Q669 PolarHBondContact O-N 3.01Å; K666-Q669 PolarHBondContact O-N 3.42Å; Q669-T672 WeakPolarHBondContact O-CB 3.38Å; Q669-T672 PolarHBondContact O-N 3.19Å; Q669-M673 WeakPolarHBondContact O-CG 3.37Å; Q669-M673 PolarHBondContact O-N 3.36Å |
| 670 | Q | 98.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -51.4 | 175.2 | 178.3 | 177.9 | -17.3 | 0 | 0 | 111.6 | K666 S667 T672 M673 E674 | K666-Q670 PolarHBondContact O-N 3.38Å; S667-Q670 PolarHBondContact O-N 3.32Å; Q670-T672 PolarHBondContact O-N 2.86Å; Q670-M673 PolarHBondContact O-N 3.5Å; Q670-M673 VanDerWaalsContact O-N 3.1Å; Q670-E674 HydrophobicContact CG-CG 4.44Å; Q670-E674 VanDerWaalsContact CG-OE1 3.28Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.41Å; Q670-E674 PolarHBondContact NE2-OE1 3.19Å; Q670-E674 WeakPolarHBondContact O-CG 3.3Å; Q670-E674 PolarHBondContact O-N 2.6Å |
| 671 | L | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -30.1 | 177.9 | -70.6 | 170.3 | 0 | 0 | 0 | 112.6 | S667 F668 K675 | S667-L671 WeakPolarHBondContact O-CB 3.44Å; S667-L671 WeakPolarHBondContact O-CG 3.27Å; S667-L671 PolarHBondContact O-N 2.97Å; F668-L671 PolarHBondContact O-N 3.47Å; L671-K675 VanDerWaalsContact O-CB 3.29Å; L671-K675 WeakPolarHBondContact O-CB 3.42Å; L671-K675 PolarHBondContact O-N 3.04Å |
| 672 | T | 98.5 | Very high | 98.4 | Very high | 44 Ų | 44 | 96 Ų | 96 | 27% | 0.27 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -46.5 | 173.4 | -58.3 | 0 | 0 | 0 | 0 | 111 | F668 Q669 Q670 K675 E676 | F668-T672 WeakPolarHBondContact O-CB 3.43Å; F668-T672 PolarHBondContact O-N 2.91Å; F668-T672 PolarHBondContact O-OG1 3.48Å; Q669-T672 WeakPolarHBondContact O-CB 3.38Å; Q669-T672 PolarHBondContact O-N 3.19Å; Q670-T672 PolarHBondContact O-N 2.86Å; T672-K675 WeakPolarHBondContact O-CB 3.36Å; T672-K675 PolarHBondContact O-N 3.01Å; T672-E676 WeakPolarHBondContact O-CG 3.46Å; T672-E676 PolarHBondContact O-N 3.45Å |
| 673 | M | 98.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 95 Ų | 95 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 175.8 | -67.9 | 179.7 | 67.4 | 0 | 0 | 112.4 | Q669 Q670 E676 Q677 | Q669-M673 WeakPolarHBondContact O-CG 3.37Å; Q669-M673 PolarHBondContact O-N 3.36Å; Q670-M673 PolarHBondContact O-N 3.5Å; Q670-M673 VanDerWaalsContact O-N 3.1Å; M673-E676 PolarHBondContact O-N 3.44Å; M673-Q677 WeakPolarHBondContact O-CB 3.45Å; M673-Q677 PolarHBondContact O-N 3.22Å |
| 674 | E | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 93.7 Ų | 93.7 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176 | -72.1 | 173.6 | -171.4 | 0 | 0 | 111.8 | Q670 A678 | Q670-E674 HydrophobicContact CG-CG 4.44Å; Q670-E674 VanDerWaalsContact CG-OE1 3.28Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.41Å; Q670-E674 PolarHBondContact NE2-OE1 3.19Å; Q670-E674 WeakPolarHBondContact O-CG 3.3Å; Q670-E674 PolarHBondContact O-N 2.6Å; E674-A678 WeakPolarHBondContact O-CB 3.45Å; E674-A678 PolarHBondContact O-N 3.29Å |
| 675 | K | 98.7 | Very high | 98.6 | Very high | 141 Ų | 141 | 94.4 Ų | 94.4 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 171.9 | 176.5 | -169.1 | 172.5 | -169.4 | 0 | 112.1 | L671 T672 A678 L679 | L671-K675 VanDerWaalsContact O-CB 3.29Å; L671-K675 WeakPolarHBondContact O-CB 3.42Å; L671-K675 PolarHBondContact O-N 3.04Å; T672-K675 WeakPolarHBondContact O-CB 3.36Å; T672-K675 PolarHBondContact O-N 3.01Å; K675-A678 PolarHBondContact O-N 3Å; K675-L679 HydrophobicContact CG-CD1 4.17Å; K675-L679 WeakPolarHBondContact O-CG 3.08Å; K675-L679 PolarHBondContact O-N 3.18Å |
| 676 | E | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 179.4 | -75.1 | 174.6 | -179 | 0 | 0 | 111.8 | T672 M673 L679 A680 | T672-E676 WeakPolarHBondContact O-CG 3.46Å; T672-E676 PolarHBondContact O-N 3.45Å; M673-E676 PolarHBondContact O-N 3.44Å; E676-L679 PolarHBondContact O-N 2.95Å; E676-A680 PolarHBondContact O-N 2.86Å |
| 677 | Q | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 171.6 | 179.5 | 58.6 | 49.5 | 0 | 0 | 111.4 | M673 L679 A680 D681 | M673-Q677 WeakPolarHBondContact O-CB 3.45Å; M673-Q677 PolarHBondContact O-N 3.22Å; Q677-L679 VanDerWaalsContact C-N 3.28Å; Q677-L679 PolarHBondContact O-N 3.37Å; Q677-A680 WeakPolarHBondContact O-CB 3.4Å; Q677-A680 PolarHBondContact O-N 3.43Å; Q677-D681 PolarHBondContact NE2-OD1 2.83Å; Q677-D681 VanDerWaalsContact NE2-OD1 3.16Å; Q677-D681 PolarHBondContact NE2-OD2 3.05Å; Q677-D681 PolarHBondContact O-N 3.36Å |
| 678 | A | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 95.3 Ų | 95.3 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E674 K675 L682 | E674-A678 WeakPolarHBondContact O-CB 3.45Å; E674-A678 PolarHBondContact O-N 3.29Å; K675-A678 PolarHBondContact O-N 3Å; A678-L682 WeakPolarHBondContact O-CB 3.32Å; A678-L682 PolarHBondContact O-N 2.96Å |
| 679 | L | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 92.5 Ų | 92.5 | 44% | 0.435 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 172.8 | -73.1 | 170.1 | 0 | 0 | 0 | 112.2 | K675 E676 Q677 D681 L682 N683 | K675-L679 HydrophobicContact CG-CD1 4.17Å; K675-L679 WeakPolarHBondContact O-CG 3.08Å; K675-L679 PolarHBondContact O-N 3.18Å; E676-L679 PolarHBondContact O-N 2.95Å; Q677-L679 VanDerWaalsContact C-N 3.28Å; Q677-L679 PolarHBondContact O-N 3.37Å; L679-D681 VanDerWaalsContact C-N 3.35Å; L679-L682 PolarHBondContact O-N 2.66Å; L679-N683 WeakPolarHBondContact O-CB 3.38Å; L679-N683 PolarHBondContact O-N 3.11Å; L679-N683 PolarHBondContact O-ND2 3.21Å |
| 680 | A | 98.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 91 Ų | 91 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E676 Q677 S684 | E676-A680 PolarHBondContact O-N 2.86Å; Q677-A680 WeakPolarHBondContact O-CB 3.4Å; Q677-A680 PolarHBondContact O-N 3.43Å; A680-S684 PolarHBondContact O-N 3.01Å |
| 681 | D | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 87.7 Ų | 87.7 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 176.2 | -70.6 | -35.9 | 0 | 0 | 0 | 112.1 | Q677 L679 N683 S684 V685 | Q677-D681 PolarHBondContact NE2-OD1 2.83Å; Q677-D681 VanDerWaalsContact NE2-OD1 3.16Å; Q677-D681 PolarHBondContact NE2-OD2 3.05Å; Q677-D681 PolarHBondContact O-N 3.36Å; L679-D681 VanDerWaalsContact C-N 3.35Å; D681-N683 PolarHBondContact O-N 2.98Å; D681-S684 CarbonylContact O-C 3.6Å; D681-S684 WeakPolarHBondContact O-CA 3.32Å; D681-S684 WeakPolarHBondContact O-CB 3.45Å; D681-S684 PolarHBondContact O-N 3.02Å; D681-V685 PolarHBondContact O-N 2.68Å |
| 682 | L | 98.6 | Very high | 98.7 | Very high | 90 Ų | 90 | 88.1 Ų | 88.1 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.4 | -50.9 | 173.2 | 175 | 60.9 | 0 | 0 | 0 | 111.3 | A678 L679 S684 V685 E686 | A678-L682 WeakPolarHBondContact O-CB 3.32Å; A678-L682 PolarHBondContact O-N 2.96Å; L679-L682 PolarHBondContact O-N 2.66Å; L682-S684 PolarHBondContact O-N 2.87Å; L682-S684 VanDerWaalsContact O-N 3.13Å; L682-V685 PolarHBondContact O-N 3.41Å; L682-V685 VanDerWaalsContact O-N 3.07Å; L682-E686 HydrophobicContact CD1-CG 4.29Å; L682-E686 WeakPolarHBondContact O-CG 3.46Å; L682-E686 PolarHBondContact O-N 2.95Å |
| 683 | N | 98.6 | Very high | 98.7 | Very high | 77 Ų | 77 | 92 Ų | 92 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.7 | -28.9 | 174.9 | -85.8 | -98.6 | 0 | 0 | 0 | 112 | L679 D681 R687 | L679-N683 WeakPolarHBondContact O-CB 3.38Å; L679-N683 PolarHBondContact O-N 3.11Å; L679-N683 PolarHBondContact O-ND2 3.21Å; D681-N683 PolarHBondContact O-N 2.98Å; N683-R687 VanDerWaalsContact C-NH2 3.3Å; N683-R687 WeakPolarHBondContact O-CB 3.42Å; N683-R687 VanDerWaalsContact O-CG 3.29Å; N683-R687 WeakPolarHBondContact O-CG 3.48Å; N683-R687 PolarHBondContact O-N 3.25Å; N683-R687 VanDerWaalsContact O-N 3.07Å; N683-R687 PolarHBondContact O-NE 3.5Å; N683-R687 PolarHBondContact O-NH2 2.86Å |
| 684 | S | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 92 Ų | 92 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.3 | -43.1 | 176.6 | -138.8 | 0 | 0 | 0 | 0 | 112.1 | A680 D681 L682 R687 S688 | A680-S684 PolarHBondContact O-N 3.01Å; D681-S684 CarbonylContact O-C 3.6Å; D681-S684 WeakPolarHBondContact O-CA 3.32Å; D681-S684 WeakPolarHBondContact O-CB 3.45Å; D681-S684 PolarHBondContact O-N 3.02Å; L682-S684 PolarHBondContact O-N 2.87Å; L682-S684 VanDerWaalsContact O-N 3.13Å; S684-R687 PolarHBondContact O-N 3.27Å; S684-R687 PolarHBondContact OG-NH1 2.76Å; S684-S688 WeakPolarHBondContact O-CB 3.48Å; S684-S688 PolarHBondContact O-N 3.33Å |
| 685 | V | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 95.2 Ų | 95.2 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 172.8 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | D681 L682 R687 S688 L689 | D681-V685 PolarHBondContact O-N 2.68Å; L682-V685 PolarHBondContact O-N 3.41Å; L682-V685 VanDerWaalsContact O-N 3.07Å; V685-R687 PolarHBondContact O-N 3.22Å; V685-S688 PolarHBondContact O-N 3.49Å; V685-S688 VanDerWaalsContact O-N 3.09Å; V685-S688 PolarHBondContact O-OG 3.18Å; V685-L689 WeakPolarHBondContact O-CB 3.49Å; V685-L689 PolarHBondContact O-N 3.31Å |
| 686 | E | 98.6 | Very high | 98.7 | Very high | 93 Ų | 93 | 95 Ų | 95 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 178.4 | -69.6 | 173.1 | 153.9 | 0 | 0 | 113 | L682 L689 S690 | L682-E686 HydrophobicContact CD1-CG 4.29Å; L682-E686 WeakPolarHBondContact O-CG 3.46Å; L682-E686 PolarHBondContact O-N 2.95Å; E686-L689 PolarHBondContact O-N 3.42Å; E686-S690 WeakPolarHBondContact O-CB 3.47Å; E686-S690 PolarHBondContact O-N 3.49Å; E686-S690 PolarHBondContact O-OG 3.45Å |
| 687 | R | 98.6 | Very high | 98.7 | Very high | 141 Ų | 141 | 93.6 Ų | 93.6 | 53% | 0.532 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 171.4 | -80 | 178.7 | -88.9 | 106.7 | -2 | 111.6 | N683 S684 V685 L689 S690 D691 | N683-R687 VanDerWaalsContact C-NH2 3.3Å; N683-R687 WeakPolarHBondContact O-CB 3.42Å; N683-R687 VanDerWaalsContact O-CG 3.29Å; N683-R687 WeakPolarHBondContact O-CG 3.48Å; N683-R687 PolarHBondContact O-N 3.25Å; N683-R687 VanDerWaalsContact O-N 3.07Å; N683-R687 PolarHBondContact O-NE 3.5Å; N683-R687 PolarHBondContact O-NH2 2.86Å; S684-R687 PolarHBondContact O-N 3.27Å; S684-R687 PolarHBondContact OG-NH1 2.76Å; V685-R687 PolarHBondContact O-N 3.22Å; R687-L689 PolarHBondContact O-N 2.98Å; R687-S690 PolarHBondContact O-N 3.24Å; R687-D691 PolarHBondContact O-N 2.85Å |
| 688 | S | 98.5 | Very high | 98.7 | Very high | 72 Ų | 72 | 93.6 Ų | 93.6 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 179.7 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | S684 V685 D691 L692 | S684-S688 WeakPolarHBondContact O-CB 3.48Å; S684-S688 PolarHBondContact O-N 3.33Å; V685-S688 PolarHBondContact O-N 3.49Å; V685-S688 VanDerWaalsContact O-N 3.09Å; V685-S688 PolarHBondContact O-OG 3.18Å; S688-D691 WeakPolarHBondContact O-CB 3.4Å; S688-D691 PolarHBondContact O-N 2.93Å; S688-L692 PolarHBondContact O-N 3.43Å |
| 689 | L | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 95.5 Ų | 95.5 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 176.7 | 179.1 | 61.8 | 0 | 0 | 0 | 111.2 | V685 E686 R687 D691 L692 F693 | V685-L689 WeakPolarHBondContact O-CB 3.49Å; V685-L689 PolarHBondContact O-N 3.31Å; E686-L689 PolarHBondContact O-N 3.42Å; R687-L689 PolarHBondContact O-N 2.98Å; L689-D691 VanDerWaalsContact C-N 3.27Å; L689-D691 PolarHBondContact O-N 3.38Å; L689-L692 WeakPolarHBondContact O-CB 3.05Å; L689-L692 PolarHBondContact O-N 3.05Å; L689-F693 HydrophobicContact CD1-CD2 4.01Å; L689-F693 HydrophobicContact CD1-CE2 3.59Å; L689-F693 HydrophobicContact CD1-CZ 4.32Å; L689-F693 HydrophobicContact CD2-CE2 4.23Å; L689-F693 HydrophobicContact CG-CD2 3.96Å; L689-F693 HydrophobicContact CG-CE2 3.68Å; L689-F693 VanDerWaalsContact O-CD2 3.27Å; L689-F693 WeakPolarHBondContact O-CD2 3.46Å; L689-F693 PolarHBondContact O-N 3.45Å |
| 690 | S | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 96 Ų | 96 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | E686 R687 R694 | E686-S690 WeakPolarHBondContact O-CB 3.47Å; E686-S690 PolarHBondContact O-N 3.49Å; E686-S690 PolarHBondContact O-OG 3.45Å; R687-S690 PolarHBondContact O-N 3.24Å; S690-R694 WeakPolarHBondContact O-CB 3.45Å; S690-R694 PolarHBondContact O-N 2.93Å; S690-R694 VanDerWaalsContact O-N 3.11Å |
| 691 | D | 98.6 | Very high | 98.7 | Very high | 45 Ų | 45 | 95.7 Ų | 95.7 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 173.1 | -125.6 | 67.5 | 0 | 0 | 0 | 112.6 | R687 S688 L689 R694 R695 | R687-D691 PolarHBondContact O-N 2.85Å; S688-D691 WeakPolarHBondContact O-CB 3.4Å; S688-D691 PolarHBondContact O-N 2.93Å; L689-D691 VanDerWaalsContact C-N 3.27Å; L689-D691 PolarHBondContact O-N 3.38Å; D691-R694 VanDerWaalsContact CG-NH2 3.27Å; D691-R694 PolarHBondContact O-N 2.97Å; D691-R694 IonicContact OD1-CZ 3.99Å; D691-R694 IonicContact OD1-NH1 3.89Å; D691-R694 PolarHBondContact OD1-NH1 2.62Å; D691-R694 IonicContact OD1-NH2 3.34Å; D691-R694 PolarHBondContact OD1-NH2 3.28Å; D691-R694 IonicContact OD2-NH2 2.79Å; D691-R694 PolarHBondContact OD2-NH2 2.86Å; D691-R695 VanDerWaalsContact O-CG 3.26Å; D691-R695 WeakPolarHBondContact O-CG 3.33Å; D691-R695 PolarHBondContact O-N 3.09Å; D691-R695 IonicContact OD2-CZ 3.77Å; D691-R695 IonicContact OD2-NE 3.64Å; D691-R695 PolarHBondContact OD2-NE 3.39Å; D691-R695 IonicContact OD2-NH2 2.65Å; D691-R695 PolarHBondContact OD2-NH2 3.05Å |
| 692 | L | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 175.8 | -179.4 | 60.7 | 0 | 0 | 0 | 111.7 | S688 L689 R694 R695 Y696 | S688-L692 PolarHBondContact O-N 3.43Å; L689-L692 WeakPolarHBondContact O-CB 3.05Å; L689-L692 PolarHBondContact O-N 3.05Å; L692-R694 VanDerWaalsContact C-N 3.33Å; L692-R694 PolarHBondContact O-N 3.02Å; L692-R695 PolarHBondContact O-N 3.09Å; L692-Y696 WeakPolarHBondContact O-CB 3.43Å; L692-Y696 PolarHBondContact O-N 2.92Å |
| 693 | F | 98.7 | Very high | 98.7 | Very high | 125 Ų | 125 | 96 Ų | 96 | 55% | 0.548 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 174.8 | -80.6 | -62.3 | 0 | 0 | 0 | 112.1 | L689 R695 Y696 E697 | L689-F693 HydrophobicContact CD1-CD2 4.01Å; L689-F693 HydrophobicContact CD1-CE2 3.59Å; L689-F693 HydrophobicContact CD1-CZ 4.32Å; L689-F693 HydrophobicContact CD2-CE2 4.23Å; L689-F693 HydrophobicContact CG-CD2 3.96Å; L689-F693 HydrophobicContact CG-CE2 3.68Å; L689-F693 VanDerWaalsContact O-CD2 3.27Å; L689-F693 WeakPolarHBondContact O-CD2 3.46Å; L689-F693 PolarHBondContact O-N 3.45Å; F693-R695 VanDerWaalsContact C-N 3.34Å; F693-R695 PolarHBondContact O-N 3.47Å; F693-Y696 PolarHBondContact O-N 3.17Å; F693-E697 PolarHBondContact O-N 3.01Å |
| 694 | R | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 97.4 Ų | 97.4 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.3 | -167 | 170.9 | 73.7 | -102 | 0.1 | 112.3 | S690 D691 L692 N698 | S690-R694 WeakPolarHBondContact O-CB 3.45Å; S690-R694 PolarHBondContact O-N 2.93Å; S690-R694 VanDerWaalsContact O-N 3.11Å; D691-R694 VanDerWaalsContact CG-NH2 3.27Å; D691-R694 PolarHBondContact O-N 2.97Å; D691-R694 IonicContact OD1-CZ 3.99Å; D691-R694 IonicContact OD1-NH1 3.89Å; D691-R694 PolarHBondContact OD1-NH1 2.62Å; D691-R694 IonicContact OD1-NH2 3.34Å; D691-R694 PolarHBondContact OD1-NH2 3.28Å; D691-R694 IonicContact OD2-NH2 2.79Å; D691-R694 PolarHBondContact OD2-NH2 2.86Å; L692-R694 VanDerWaalsContact C-N 3.33Å; L692-R694 PolarHBondContact O-N 3.02Å; R694-N698 WeakPolarHBondContact O-CB 3.33Å; R694-N698 PolarHBondContact O-N 2.82Å; R694-N698 PolarHBondContact O-ND2 3.41Å |
| 695 | R | 98.8 | Very high | 98.7 | Very high | 165 Ų | 165 | 96.5 Ų | 96.5 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 173.9 | -68.7 | 169.2 | -162.2 | -140.4 | 4.5 | 112.1 | D691 L692 F693 N698 L699 | D691-R695 VanDerWaalsContact O-CG 3.26Å; D691-R695 WeakPolarHBondContact O-CG 3.33Å; D691-R695 PolarHBondContact O-N 3.09Å; D691-R695 IonicContact OD2-CZ 3.77Å; D691-R695 IonicContact OD2-NE 3.64Å; D691-R695 PolarHBondContact OD2-NE 3.39Å; D691-R695 IonicContact OD2-NH2 2.65Å; D691-R695 PolarHBondContact OD2-NH2 3.05Å; L692-R695 PolarHBondContact O-N 3.09Å; F693-R695 VanDerWaalsContact C-N 3.34Å; F693-R695 PolarHBondContact O-N 3.47Å; R695-N698 PolarHBondContact O-N 3.04Å; R695-L699 WeakPolarHBondContact O-CB 3.4Å; R695-L699 PolarHBondContact O-N 3.48Å |
| 696 | Y | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 98.6 Ų | 98.6 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 178.4 | 173.9 | -98.5 | 0 | 0 | 0 | 112.2 | L692 F693 N698 L699 K700 | L692-Y696 WeakPolarHBondContact O-CB 3.43Å; L692-Y696 PolarHBondContact O-N 2.92Å; F693-Y696 PolarHBondContact O-N 3.17Å; Y696-N698 VanDerWaalsContact C-N 3.32Å; Y696-N698 PolarHBondContact O-N 3.4Å; Y696-L699 PolarHBondContact O-N 3.24Å; Y696-K700 HydrophobicContact CE1-CD 4.13Å; Y696-K700 VanDerWaalsContact O-CB 3.28Å; Y696-K700 WeakPolarHBondContact O-CB 3.1Å; Y696-K700 PolarHBondContact O-N 3.11Å |
| 697 | E | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 99.9 Ų | 99.9 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 178.3 | -71.9 | -64.4 | 127.9 | 0 | 0 | 112 | F693 K700 G701 | F693-E697 PolarHBondContact O-N 3.01Å; E697-K700 PolarHBondContact O-N 2.96Å; E697-K700 VanDerWaalsContact OE1-CD 3.28Å; E697-K700 WeakPolarHBondContact OE1-CD 3.44Å; E697-K700 IonicContact OE1-NZ 2.71Å; E697-K700 PolarHBondContact OE1-NZ 2.92Å; E697-K700 WeakPolarHBondContact OE2-CD 3.48Å; E697-K700 IonicContact OE2-NZ 3.5Å; E697-K700 PolarHBondContact OE2-NZ 2.67Å; E697-G701 PolarHBondContact O-N 2.7Å |
| 698 | N | 98.6 | Very high | 98.7 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -47.1 | 170.5 | -74.7 | -8.3 | 0 | 0 | 0 | 112.2 | R694 R695 Y696 G701 V702 | R694-N698 WeakPolarHBondContact O-CB 3.33Å; R694-N698 PolarHBondContact O-N 2.82Å; R694-N698 PolarHBondContact O-ND2 3.41Å; R695-N698 PolarHBondContact O-N 3.04Å; Y696-N698 VanDerWaalsContact C-N 3.32Å; Y696-N698 PolarHBondContact O-N 3.4Å; N698-G701 PolarHBondContact O-N 3.32Å; N698-V702 WeakPolarHBondContact O-CG2 3.49Å; N698-V702 PolarHBondContact O-N 3.4Å |
| 699 | L | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.3 | 176.4 | 60.6 | 0 | 0 | 0 | 111.8 | R695 Y696 G701 V702 L703 | R695-L699 WeakPolarHBondContact O-CB 3.4Å; R695-L699 PolarHBondContact O-N 3.48Å; Y696-L699 PolarHBondContact O-N 3.24Å; L699-G701 PolarHBondContact O-N 2.85Å; L699-V702 PolarHBondContact O-N 3.5Å; L699-L703 HydrophobicContact CD1-CD1 4.34Å; L699-L703 HydrophobicContact CD1-CG 4.31Å; L699-L703 HydrophobicContact CG-CD1 4.08Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 3.44Å |
| 700 | K | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 99.7 Ų | 99.7 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58 | -44 | 174.1 | 174.8 | -172.8 | 170.5 | -160.7 | 0 | 111.7 | Y696 E697 L703 E704 | Y696-K700 HydrophobicContact CE1-CD 4.13Å; Y696-K700 VanDerWaalsContact O-CB 3.28Å; Y696-K700 WeakPolarHBondContact O-CB 3.1Å; Y696-K700 PolarHBondContact O-N 3.11Å; E697-K700 PolarHBondContact O-N 2.96Å; E697-K700 VanDerWaalsContact OE1-CD 3.28Å; E697-K700 WeakPolarHBondContact OE1-CD 3.44Å; E697-K700 IonicContact OE1-NZ 2.71Å; E697-K700 PolarHBondContact OE1-NZ 2.92Å; E697-K700 WeakPolarHBondContact OE2-CD 3.48Å; E697-K700 IonicContact OE2-NZ 3.5Å; E697-K700 PolarHBondContact OE2-NZ 2.67Å; K700-L703 PolarHBondContact O-N 3.43Å; K700-E704 WeakPolarHBondContact O-CB 3.4Å; K700-E704 PolarHBondContact O-N 3.01Å |
| 701 | G | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 101.1 Ų | 101.1 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E697 N698 L699 E704 G705 | E697-G701 PolarHBondContact O-N 2.7Å; N698-G701 PolarHBondContact O-N 3.32Å; L699-G701 PolarHBondContact O-N 2.85Å; G701-E704 PolarHBondContact O-N 2.94Å; G701-G705 PolarHBondContact O-N 3.28Å |
| 702 | V | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 101.8 Ų | 101.8 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 174.4 | 169 | 0 | 0 | 0 | 0 | 111.7 | N698 L699 G705 F706 | N698-V702 WeakPolarHBondContact O-CG2 3.49Å; N698-V702 PolarHBondContact O-N 3.4Å; L699-V702 PolarHBondContact O-N 3.5Å; V702-G705 WeakPolarHBondContact O-CA 3.42Å; V702-G705 PolarHBondContact O-N 2.73Å; V702-F706 HydrophobicContact CG1-CD2 3.86Å; V702-F706 HydrophobicContact CG1-CE2 3.43Å; V702-F706 VanDerWaalsContact CG1-CE2 3.43Å; V702-F706 HydrophobicContact CG1-CZ 4.17Å; V702-F706 WeakPolarHBondContact O-CD2 3.26Å; V702-F706 PolarHBondContact O-N 3.3Å |
| 703 | L | 98.8 | Very high | 98.7 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.7 | -71.6 | 169.1 | 0 | 0 | 0 | 112.2 | L699 K700 G705 F706 K707 | L699-L703 HydrophobicContact CD1-CD1 4.34Å; L699-L703 HydrophobicContact CD1-CG 4.31Å; L699-L703 HydrophobicContact CG-CD1 4.08Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 3.44Å; K700-L703 PolarHBondContact O-N 3.43Å; L703-G705 VanDerWaalsContact C-N 3.3Å; L703-G705 PolarHBondContact O-N 3.05Å; L703-F706 PolarHBondContact O-N 3.07Å; L703-K707 PolarHBondContact O-N 3.47Å |
| 704 | E | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 101.4 Ų | 101.4 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 173.4 | -155.4 | -155.7 | 169.3 | 0 | 0 | 111.6 | K700 G701 K707 K708 | K700-E704 WeakPolarHBondContact O-CB 3.4Å; K700-E704 PolarHBondContact O-N 3.01Å; G701-E704 PolarHBondContact O-N 2.94Å; E704-K707 PolarHBondContact O-N 3.13Å; E704-K708 WeakPolarHBondContact O-CG 3.34Å; E704-K708 PolarHBondContact O-N 2.97Å; E704-K708 WeakPolarHBondContact OE1-CE 3.44Å; E704-K708 IonicContact OE1-NZ 2.85Å; E704-K708 PolarHBondContact OE1-NZ 3.46Å; E704-K708 IonicContact OE2-NZ 2.57Å; E704-K708 PolarHBondContact OE2-NZ 2.85Å; E704-K708 VanDerWaalsContact OE2-NZ 3.11Å |
| 705 | G | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 101.1 Ų | 101.1 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G701 V702 L703 K708 N709 | G701-G705 PolarHBondContact O-N 3.28Å; V702-G705 WeakPolarHBondContact O-CA 3.42Å; V702-G705 PolarHBondContact O-N 2.73Å; L703-G705 VanDerWaalsContact C-N 3.3Å; L703-G705 PolarHBondContact O-N 3.05Å; G705-K708 PolarHBondContact O-N 3.07Å; G705-N709 PolarHBondContact O-N 3.42Å |
| 706 | F | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 95.7 Ų | 95.7 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 175.2 | -73.3 | -49.1 | 0 | 0 | 0 | 112.4 | V702 L703 N709 E710 | V702-F706 HydrophobicContact CG1-CD2 3.86Å; V702-F706 HydrophobicContact CG1-CE2 3.43Å; V702-F706 VanDerWaalsContact CG1-CE2 3.43Å; V702-F706 HydrophobicContact CG1-CZ 4.17Å; V702-F706 WeakPolarHBondContact O-CD2 3.26Å; V702-F706 PolarHBondContact O-N 3.3Å; L703-F706 PolarHBondContact O-N 3.07Å; F706-N709 WeakPolarHBondContact O-CB 3.5Å; F706-N709 PolarHBondContact O-N 2.93Å; F706-E710 PolarHBondContact O-N 2.94Å |
| 707 | K | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 92 Ų | 92 | 52% | 0.522 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 174.8 | -177.7 | 179.4 | 173.5 | -177.7 | 0 | 111.9 | L703 E704 N709 E710 E711 | L703-K707 PolarHBondContact O-N 3.47Å; E704-K707 PolarHBondContact O-N 3.13Å; K707-N709 VanDerWaalsContact C-N 3.28Å; K707-N709 PolarHBondContact O-N 3.09Å; K707-E710 WeakPolarHBondContact O-CB 3.06Å; K707-E710 PolarHBondContact O-N 2.82Å; K707-E711 WeakPolarHBondContact CE-OE1 3.49Å; K707-E711 WeakPolarHBondContact O-CG 3.38Å; K707-E711 PolarHBondContact O-N 2.92Å |
| 708 | K | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 94 Ų | 94 | 47% | 0.47 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 176.1 | -71.1 | 164.7 | -175.3 | 166.9 | 0 | 112.1 | E704 G705 A712 | E704-K708 WeakPolarHBondContact O-CG 3.34Å; E704-K708 PolarHBondContact O-N 2.97Å; E704-K708 WeakPolarHBondContact OE1-CE 3.44Å; E704-K708 IonicContact OE1-NZ 2.85Å; E704-K708 PolarHBondContact OE1-NZ 3.46Å; E704-K708 IonicContact OE2-NZ 2.57Å; E704-K708 PolarHBondContact OE2-NZ 2.85Å; E704-K708 VanDerWaalsContact OE2-NZ 3.11Å; G705-K708 PolarHBondContact O-N 3.07Å; K708-A712 WeakPolarHBondContact O-CB 3.36Å; K708-A712 PolarHBondContact O-N 3.24Å |
| 709 | N | 98.6 | Very high | 98.7 | Very high | 88 Ų | 88 | 92.5 Ų | 92.5 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 174.1 | -178.1 | 62.2 | 0 | 0 | 0 | 112.4 | G705 F706 K707 A712 L713 | G705-N709 PolarHBondContact O-N 3.42Å; F706-N709 WeakPolarHBondContact O-CB 3.5Å; F706-N709 PolarHBondContact O-N 2.93Å; K707-N709 VanDerWaalsContact C-N 3.28Å; K707-N709 PolarHBondContact O-N 3.09Å; N709-A712 PolarHBondContact O-N 3.36Å; N709-L713 WeakPolarHBondContact O-CB 3.47Å; N709-L713 WeakPolarHBondContact O-CG 3.42Å; N709-L713 PolarHBondContact O-N 3.43Å |
| 710 | E | 98.4 | Very high | 98.7 | Very high | 96 Ų | 96 | 94.3 Ų | 94.3 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.7 | -167.1 | -163.3 | 166.2 | 0 | 0 | 111.6 | F706 K707 L713 K714 | F706-E710 PolarHBondContact O-N 2.94Å; K707-E710 WeakPolarHBondContact O-CB 3.06Å; K707-E710 PolarHBondContact O-N 2.82Å; E710-L713 PolarHBondContact O-N 2.79Å; E710-K714 HydrophobicContact CG-CD 4.42Å; E710-K714 WeakPolarHBondContact O-CB 3.28Å; E710-K714 WeakPolarHBondContact O-CG 3.46Å; E710-K714 PolarHBondContact O-N 3.37Å; E710-K714 WeakPolarHBondContact OE1-CE 3.45Å; E710-K714 IonicContact OE1-NZ 3.58Å; E710-K714 PolarHBondContact OE1-NZ 2.98Å |
| 711 | E | 98.7 | Very high | 98.7 | Very high | 101 Ų | 101 | 95.8 Ų | 95.8 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175 | -71.6 | 169.9 | -173.1 | 0 | 0 | 111.9 | K707 K714 K715 | K707-E711 WeakPolarHBondContact CE-OE1 3.49Å; K707-E711 WeakPolarHBondContact O-CG 3.38Å; K707-E711 PolarHBondContact O-N 2.92Å; E711-K714 PolarHBondContact O-N 2.93Å; E711-K715 WeakPolarHBondContact O-CB 3.28Å; E711-K715 PolarHBondContact O-N 3.07Å |
| 712 | A | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 96.6 Ų | 96.6 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K708 N709 K715 C716 | K708-A712 WeakPolarHBondContact O-CB 3.36Å; K708-A712 PolarHBondContact O-N 3.24Å; N709-A712 PolarHBondContact O-N 3.36Å; A712-K715 PolarHBondContact O-N 2.81Å; A712-C716 WeakPolarHBondContact O-CB 3.47Å; A712-C716 PolarHBondContact O-N 3Å |
| 713 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 176.6 | -74.1 | 168.5 | 0 | 0 | 0 | 111.9 | N709 E710 K715 C716 A717 | N709-L713 WeakPolarHBondContact O-CB 3.47Å; N709-L713 WeakPolarHBondContact O-CG 3.42Å; N709-L713 PolarHBondContact O-N 3.43Å; E710-L713 PolarHBondContact O-N 2.79Å; L713-K715 PolarHBondContact O-N 3.16Å; L713-C716 WeakPolarHBondContact O-CB 3.4Å; L713-C716 PolarHBondContact O-N 2.9Å; L713-A717 PolarHBondContact O-N 2.94Å |
| 714 | K | 98.8 | Very high | 98.7 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 173.5 | -77.7 | 172.8 | -179.6 | 169.6 | 0 | 111.4 | E710 E711 A717 Q718 | E710-K714 HydrophobicContact CG-CD 4.42Å; E710-K714 WeakPolarHBondContact O-CB 3.28Å; E710-K714 WeakPolarHBondContact O-CG 3.46Å; E710-K714 PolarHBondContact O-N 3.37Å; E710-K714 WeakPolarHBondContact OE1-CE 3.45Å; E710-K714 IonicContact OE1-NZ 3.58Å; E710-K714 PolarHBondContact OE1-NZ 2.98Å; E711-K714 PolarHBondContact O-N 2.93Å; K714-A717 PolarHBondContact O-N 3.3Å; K714-Q718 PolarHBondContact O-N 3.36Å |
| 715 | K | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 99.2 Ų | 99.2 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 175.2 | -176.4 | 176.7 | 178.7 | 179 | 0 | 111.8 | E711 A712 L713 A717 Q718 D719 | E711-K715 WeakPolarHBondContact O-CB 3.28Å; E711-K715 PolarHBondContact O-N 3.07Å; A712-K715 PolarHBondContact O-N 2.81Å; L713-K715 PolarHBondContact O-N 3.16Å; K715-A717 VanDerWaalsContact C-N 3.34Å; K715-A717 PolarHBondContact O-N 2.96Å; K715-Q718 WeakPolarHBondContact O-CB 3.24Å; K715-Q718 PolarHBondContact O-N 2.99Å; K715-D719 PolarHBondContact O-N 3.48Å |
| 716 | C | 98.6 | Very high | 98.7 | Very high | 52 Ų | 52 | 103 Ų | 103 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.6 | -163.8 | 0 | 0 | 0 | 0 | 112 | A712 L713 D719 Y720 | A712-C716 WeakPolarHBondContact O-CB 3.47Å; A712-C716 PolarHBondContact O-N 3Å; L713-C716 WeakPolarHBondContact O-CB 3.4Å; L713-C716 PolarHBondContact O-N 2.9Å; C716-D719 PolarHBondContact O-N 3.49Å; C716-Y720 WeakPolarHBondContact O-CD2 3.39Å; C716-Y720 PolarHBondContact O-N 3.1Å; C716-Y720 VanDerWaalsContact SG-CE2 3.56Å |
| 717 | A | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 101.3 Ų | 101.3 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L713 K714 K715 Y720 L721 | L713-A717 PolarHBondContact O-N 2.94Å; K714-A717 PolarHBondContact O-N 3.3Å; K715-A717 VanDerWaalsContact C-N 3.34Å; K715-A717 PolarHBondContact O-N 2.96Å; A717-Y720 PolarHBondContact O-N 2.98Å; A717-L721 PolarHBondContact O-N 3.01Å |
| 718 | Q | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 174.7 | -170.3 | 178.1 | 12.3 | 0 | 0 | 112.1 | K714 K715 Y720 L721 A722 | K714-Q718 PolarHBondContact O-N 3.36Å; K715-Q718 WeakPolarHBondContact O-CB 3.24Å; K715-Q718 PolarHBondContact O-N 2.99Å; Q718-Y720 VanDerWaalsContact C-N 3.3Å; Q718-Y720 PolarHBondContact O-N 3.25Å; Q718-L721 PolarHBondContact O-N 2.92Å; Q718-A722 WeakPolarHBondContact O-CB 3.45Å; Q718-A722 PolarHBondContact O-N 3.26Å |
| 719 | D | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -28 | 176.2 | -72.8 | -26.3 | 0 | 0 | 0 | 112.4 | K715 C716 R723 | K715-D719 PolarHBondContact O-N 3.48Å; C716-D719 PolarHBondContact O-N 3.49Å; D719-R723 WeakPolarHBondContact O-CG 3.2Å; D719-R723 PolarHBondContact O-N 2.93Å; D719-R723 PolarHBondContact O-NE 3.01Å |
| 720 | Y | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 104.7 Ų | 104.7 | 54% | 0.541 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.7 | -48.4 | 168.3 | -76 | -64.6 | 0 | 0 | 0 | 111.8 | C716 A717 Q718 A722 R723 V724 | C716-Y720 WeakPolarHBondContact O-CD2 3.39Å; C716-Y720 PolarHBondContact O-N 3.1Å; C716-Y720 VanDerWaalsContact SG-CE2 3.56Å; A717-Y720 PolarHBondContact O-N 2.98Å; Q718-Y720 VanDerWaalsContact C-N 3.3Å; Q718-Y720 PolarHBondContact O-N 3.25Å; Y720-A722 VanDerWaalsContact C-N 3.3Å; Y720-A722 PolarHBondContact O-N 2.89Å; Y720-R723 VanDerWaalsContact CE1-NH2 3.25Å; Y720-R723 PolarHBondContact O-N 3.33Å; Y720-R723 VanDerWaalsContact O-N 3.17Å; Y720-V724 WeakPolarHBondContact O-CG2 3.29Å; Y720-V724 PolarHBondContact O-N 2.77Å |
| 721 | L | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 107.6 Ų | 107.6 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.5 | -42.7 | 178.8 | -173.3 | 71.5 | 0 | 0 | 0 | 111.9 | A717 Q718 V724 K725 | A717-L721 PolarHBondContact O-N 3.01Å; Q718-L721 PolarHBondContact O-N 2.92Å; L721-V724 PolarHBondContact O-N 3.29Å; L721-K725 WeakPolarHBondContact O-CB 3.46Å; L721-K725 PolarHBondContact O-N 3.32Å |
| 722 | A | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 107 Ų | 107 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q718 Y720 K725 Q726 | Q718-A722 WeakPolarHBondContact O-CB 3.45Å; Q718-A722 PolarHBondContact O-N 3.26Å; Y720-A722 VanDerWaalsContact C-N 3.3Å; Y720-A722 PolarHBondContact O-N 2.89Å; A722-K725 PolarHBondContact O-N 2.92Å; A722-Q726 WeakPolarHBondContact O-CB 3.41Å; A722-Q726 PolarHBondContact O-N 2.95Å |
| 723 | R | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 107.1 Ų | 107.1 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.5 | -78.5 | 177.2 | -72.9 | 170.5 | -1.1 | 112.4 | D719 Y720 K725 Q726 E727 | D719-R723 WeakPolarHBondContact O-CG 3.2Å; D719-R723 PolarHBondContact O-N 2.93Å; D719-R723 PolarHBondContact O-NE 3.01Å; Y720-R723 VanDerWaalsContact CE1-NH2 3.25Å; Y720-R723 PolarHBondContact O-N 3.33Å; Y720-R723 VanDerWaalsContact O-N 3.17Å; R723-K725 VanDerWaalsContact C-N 3.33Å; R723-K725 PolarHBondContact O-N 3.48Å; R723-Q726 PolarHBondContact O-N 3.31Å; R723-E727 PolarHBondContact O-N 3.4Å |
| 724 | V | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 107.3 Ų | 107.3 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58 | -47.1 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | Y720 L721 Q726 E727 E728 | Y720-V724 WeakPolarHBondContact O-CG2 3.29Å; Y720-V724 PolarHBondContact O-N 2.77Å; L721-V724 PolarHBondContact O-N 3.29Å; V724-Q726 PolarHBondContact O-N 3.02Å; V724-E727 PolarHBondContact O-N 3.29Å; V724-E728 WeakPolarHBondContact O-CB 3.36Å; V724-E728 PolarHBondContact O-N 3.49Å |
| 725 | K | 98.8 | Very high | 98.7 | Very high | 128 Ų | 128 | 106.3 Ų | 106.3 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 177.6 | -171.9 | 172.2 | -176.3 | 172.9 | 0 | 113.2 | L721 A722 R723 Q729 | L721-K725 WeakPolarHBondContact O-CB 3.46Å; L721-K725 PolarHBondContact O-N 3.32Å; A722-K725 PolarHBondContact O-N 2.92Å; R723-K725 VanDerWaalsContact C-N 3.33Å; R723-K725 PolarHBondContact O-N 3.48Å; K725-Q729 VanDerWaalsContact O-CG 3.32Å; K725-Q729 WeakPolarHBondContact O-CG 3.43Å; K725-Q729 PolarHBondContact O-N 3.1Å |
| 726 | Q | 98.8 | Very high | 98.7 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -45.1 | 175.5 | -179.1 | 174.1 | 12.3 | 0 | 0 | 111.8 | A722 R723 V724 Q729 R730 | A722-Q726 WeakPolarHBondContact O-CB 3.41Å; A722-Q726 PolarHBondContact O-N 2.95Å; R723-Q726 PolarHBondContact O-N 3.31Å; V724-Q726 PolarHBondContact O-N 3.02Å; Q726-Q729 PolarHBondContact O-N 2.69Å; Q726-R730 WeakPolarHBondContact O-CB 3.47Å; Q726-R730 PolarHBondContact O-N 3.11Å |
| 727 | E | 98.3 | Very high | 98.7 | Very high | 97 Ų | 97 | 105.9 Ų | 105.9 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.8 | -29 | 178.8 | -105.9 | 55.2 | 98.8 | 0 | 0 | 112.5 | R723 V724 R730 Y731 | R723-E727 PolarHBondContact O-N 3.4Å; V724-E727 PolarHBondContact O-N 3.29Å; E727-R730 WeakPolarHBondContact O-CB 3.27Å; E727-R730 PolarHBondContact O-N 2.84Å; E727-R730 VanDerWaalsContact OE2-CD 3.32Å; E727-R730 WeakPolarHBondContact OE2-CD 3.43Å; E727-R730 IonicContact OE2-NH1 3.83Å; E727-Y731 WeakPolarHBondContact O-CB 3.38Å; E727-Y731 PolarHBondContact O-N 3.37Å |
| 728 | E | 98.6 | Very high | 98.7 | Very high | 100 Ų | 100 | 105.7 Ų | 105.7 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | 169 | -167.5 | -161.1 | 162.7 | 0 | 0 | 111.2 | V724 R730 Y731 Q732 | V724-E728 WeakPolarHBondContact O-CB 3.36Å; V724-E728 PolarHBondContact O-N 3.49Å; E728-R730 PolarHBondContact O-N 3.49Å; E728-Y731 WeakPolarHBondContact O-CA 3.38Å; E728-Y731 WeakPolarHBondContact O-CB 3.28Å; E728-Y731 PolarHBondContact O-N 3.21Å; E728-Q732 WeakPolarHBondContact O-CG 3.4Å; E728-Q732 PolarHBondContact O-N 2.92Å; E728-Q732 PolarHBondContact OE1-NE2 2.74Å |
| 729 | Q | 98.7 | Very high | 98.7 | Very high | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.5 | -39.6 | 174.9 | -74.6 | 176.3 | -18.7 | 0 | 0 | 111.9 | K725 Q726 Q732 A733 | K725-Q729 VanDerWaalsContact O-CG 3.32Å; K725-Q729 WeakPolarHBondContact O-CG 3.43Å; K725-Q729 PolarHBondContact O-N 3.1Å; Q726-Q729 PolarHBondContact O-N 2.69Å; Q729-Q732 PolarHBondContact O-N 2.86Å; Q729-A733 WeakPolarHBondContact O-CB 3.32Å; Q729-A733 PolarHBondContact O-N 3.46Å |
| 730 | R | 98.7 | Very high | 98.7 | Very high | 178 Ų | 178 | 105.4 Ų | 105.4 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -41 | 174.2 | -177.2 | -172.3 | -176.7 | 130.4 | 5.7 | 112.3 | Q726 E727 E728 L734 | Q726-R730 WeakPolarHBondContact O-CB 3.47Å; Q726-R730 PolarHBondContact O-N 3.11Å; E727-R730 WeakPolarHBondContact O-CB 3.27Å; E727-R730 PolarHBondContact O-N 2.84Å; E727-R730 VanDerWaalsContact OE2-CD 3.32Å; E727-R730 WeakPolarHBondContact OE2-CD 3.43Å; E727-R730 IonicContact OE2-NH1 3.83Å; E728-R730 PolarHBondContact O-N 3.49Å; R730-L734 WeakPolarHBondContact O-CB 3.38Å; R730-L734 PolarHBondContact O-N 3.43Å |
| 731 | Y | 98.8 | Very high | 98.7 | Very high | 157 Ų | 157 | 104.8 Ų | 104.8 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.3 | -46.3 | 175.3 | 173.2 | -102.7 | 0 | 0 | 0 | 111.5 | E727 E728 A733 L734 K735 | E727-Y731 WeakPolarHBondContact O-CB 3.38Å; E727-Y731 PolarHBondContact O-N 3.37Å; E728-Y731 WeakPolarHBondContact O-CA 3.38Å; E728-Y731 WeakPolarHBondContact O-CB 3.28Å; E728-Y731 PolarHBondContact O-N 3.21Å; Y731-A733 PolarHBondContact O-N 3.1Å; Y731-L734 PolarHBondContact O-N 2.87Å; Y731-L734 VanDerWaalsContact O-N 3.16Å; Y731-K735 WeakPolarHBondContact O-CB 3.49Å; Y731-K735 PolarHBondContact O-N 3.27Å |
| 732 | Q | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 175.8 | -68.2 | 172.7 | 7.8 | 0 | 0 | 111.4 | E728 Q729 L734 K735 I736 | E728-Q732 WeakPolarHBondContact O-CG 3.4Å; E728-Q732 PolarHBondContact O-N 2.92Å; E728-Q732 PolarHBondContact OE1-NE2 2.74Å; Q729-Q732 PolarHBondContact O-N 2.86Å; Q732-L734 PolarHBondContact O-N 3.08Å; Q732-K735 WeakPolarHBondContact O-CB 3.46Å; Q732-K735 PolarHBondContact O-N 3.37Å; Q732-I736 WeakPolarHBondContact O-CG1 3.45Å; Q732-I736 PolarHBondContact O-N 2.83Å |
| 733 | A | 98.7 | Very high | 98.7 | Very high | 60 Ų | 60 | 105.7 Ų | 105.7 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q729 Y731 H737 | Q729-A733 WeakPolarHBondContact O-CB 3.32Å; Q729-A733 PolarHBondContact O-N 3.46Å; Y731-A733 PolarHBondContact O-N 3.1Å; A733-H737 PolarHBondContact O-N 3.47Å |
| 734 | L | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 105.9 Ų | 105.9 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.7 | -38 | 175.4 | 179.9 | 60 | 0 | 0 | 0 | 112.1 | R730 Y731 Q732 A738 | R730-L734 WeakPolarHBondContact O-CB 3.38Å; R730-L734 PolarHBondContact O-N 3.43Å; Y731-L734 PolarHBondContact O-N 2.87Å; Y731-L734 VanDerWaalsContact O-N 3.16Å; Q732-L734 PolarHBondContact O-N 3.08Å; L734-A738 PolarHBondContact O-N 2.75Å; L734-A738 VanDerWaalsContact O-N 3.1Å |
| 735 | K | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 103.4 Ų | 103.4 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -54.6 | 176.2 | -179.4 | -171.4 | 161.3 | 179.7 | 0 | 110.5 | Y731 Q732 H737 A738 E739 | Y731-K735 WeakPolarHBondContact O-CB 3.49Å; Y731-K735 PolarHBondContact O-N 3.27Å; Q732-K735 WeakPolarHBondContact O-CB 3.46Å; Q732-K735 PolarHBondContact O-N 3.37Å; K735-H737 VanDerWaalsContact C-N 3.33Å; K735-H737 PolarHBondContact O-N 3.5Å; K735-A738 WeakPolarHBondContact O-CA 3.25Å; K735-A738 WeakPolarHBondContact O-CB 3.25Å; K735-A738 PolarHBondContact O-N 2.82Å; K735-E739 WeakPolarHBondContact CE-OE1 3.38Å; K735-E739 WeakPolarHBondContact CE-OE2 3.35Å; K735-E739 HydrophobicContact CG-CG 4.47Å; K735-E739 IonicContact NZ-OE1 2.66Å; K735-E739 PolarHBondContact NZ-OE1 2.88Å; K735-E739 WeakPolarHBondContact O-CG 3.26Å; K735-E739 PolarHBondContact O-N 2.85Å |
| 736 | I | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55 | -48.4 | 179.8 | -67.2 | 163.4 | 0 | 0 | 0 | 110.8 | Q732 A738 E739 E740 | Q732-I736 WeakPolarHBondContact O-CG1 3.45Å; Q732-I736 PolarHBondContact O-N 2.83Å; I736-A738 PolarHBondContact O-N 2.67Å; I736-E739 PolarHBondContact O-N 3.36Å; I736-E739 VanDerWaalsContact O-N 3.14Å; I736-E740 HydrophobicContact CG2-CG 4.3Å; I736-E740 WeakPolarHBondContact O-CB 3.39Å; I736-E740 WeakPolarHBondContact O-CG 3.33Å; I736-E740 PolarHBondContact O-N 2.87Å |
| 737 | H | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 102.2 Ų | 102.2 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -15.3 | 178.6 | 155.3 | -96 | 0 | 0 | 0 | 114.3 | A733 K735 K741 | A733-H737 PolarHBondContact O-N 3.47Å; K735-H737 VanDerWaalsContact C-N 3.33Å; K735-H737 PolarHBondContact O-N 3.5Å; H737-K741 PolarHBondContact CE1-NZ 2.94Å; H737-K741 VanDerWaalsContact CE1-NZ 3.29Å; H737-K741 WeakPolarHBondContact NE2-CE 3.31Å; H737-K741 PolarHBondContact NE2-NZ 2.94Å; H737-K741 WeakPolarHBondContact O-CD 3.42Å; H737-K741 WeakPolarHBondContact O-CG 3.29Å |
| 738 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 102.7 Ų | 102.7 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -83 | -42 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L734 K735 I736 K741 L742 | L734-A738 PolarHBondContact O-N 2.75Å; L734-A738 VanDerWaalsContact O-N 3.1Å; K735-A738 WeakPolarHBondContact O-CA 3.25Å; K735-A738 WeakPolarHBondContact O-CB 3.25Å; K735-A738 PolarHBondContact O-N 2.82Å; I736-A738 PolarHBondContact O-N 2.67Å; A738-K741 PolarHBondContact O-N 3.24Å; A738-L742 PolarHBondContact O-N 3.49Å |
| 739 | E | 98.4 | Very high | 98.6 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -51.3 | 174.6 | -68.3 | 169.9 | 142.3 | 0 | 0 | 110.8 | K735 I736 K741 L742 D743 | K735-E739 WeakPolarHBondContact CE-OE1 3.38Å; K735-E739 WeakPolarHBondContact CE-OE2 3.35Å; K735-E739 HydrophobicContact CG-CG 4.47Å; K735-E739 IonicContact NZ-OE1 2.66Å; K735-E739 PolarHBondContact NZ-OE1 2.88Å; K735-E739 WeakPolarHBondContact O-CG 3.26Å; K735-E739 PolarHBondContact O-N 2.85Å; I736-E739 PolarHBondContact O-N 3.36Å; I736-E739 VanDerWaalsContact O-N 3.14Å; E739-K741 PolarHBondContact O-N 2.86Å; E739-L742 PolarHBondContact O-N 3.49Å; E739-D743 PolarHBondContact O-N 2.74Å |
| 740 | E | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 98.5 Ų | 98.5 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -50.2 | -35.9 | 173.1 | -74.4 | 174.9 | 171 | 0 | 0 | 113.5 | I736 K744 | I736-E740 HydrophobicContact CG2-CG 4.3Å; I736-E740 WeakPolarHBondContact O-CB 3.39Å; I736-E740 WeakPolarHBondContact O-CG 3.33Å; I736-E740 PolarHBondContact O-N 2.87Å; E740-K744 VanDerWaalsContact O-CB 3.3Å; E740-K744 WeakPolarHBondContact O-CB 3.36Å; E740-K744 PolarHBondContact O-N 2.93Å; E740-K744 VanDerWaalsContact O-N 3.1Å |
| 741 | K | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 96.4 Ų | 96.4 | 55% | 0.548 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.7 | -36.2 | 179.8 | -84 | 176.7 | 169.3 | 166.8 | 0 | 113 | H737 A738 E739 A745 | H737-K741 PolarHBondContact CE1-NZ 2.94Å; H737-K741 VanDerWaalsContact CE1-NZ 3.29Å; H737-K741 WeakPolarHBondContact NE2-CE 3.31Å; H737-K741 PolarHBondContact NE2-NZ 2.94Å; H737-K741 WeakPolarHBondContact O-CD 3.42Å; H737-K741 WeakPolarHBondContact O-CG 3.29Å; A738-K741 PolarHBondContact O-N 3.24Å; E739-K741 PolarHBondContact O-N 2.86Å; K741-A745 WeakPolarHBondContact O-CB 3.16Å; K741-A745 PolarHBondContact O-N 3.44Å |
| 742 | L | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 93.6 Ų | 93.6 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 174.6 | -179.2 | 144.9 | 0 | 0 | 0 | 110.1 | A738 E739 A745 N746 | A738-L742 PolarHBondContact O-N 3.49Å; E739-L742 PolarHBondContact O-N 3.49Å; L742-A745 PolarHBondContact O-N 3.07Å; L742-N746 VanDerWaalsContact CD2-ND2 3.3Å; L742-N746 WeakPolarHBondContact CD2-ND2 3.49Å; L742-N746 WeakPolarHBondContact O-CB 3.43Å; L742-N746 VanDerWaalsContact O-CG 3.28Å; L742-N746 PolarHBondContact O-N 3.43Å; L742-N746 PolarHBondContact O-ND2 3.41Å |
| 743 | D | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.4 | -73.3 | -23 | 0 | 0 | 0 | 111.9 | E739 A745 N746 E747 | E739-D743 PolarHBondContact O-N 2.74Å; D743-A745 PolarHBondContact O-N 2.9Å; D743-N746 CarbonylContact O-C 3.6Å; D743-N746 WeakPolarHBondContact O-CB 3.33Å; D743-N746 PolarHBondContact O-N 3.37Å; D743-E747 PolarHBondContact O-N 2.61Å |
| 744 | K | 98.5 | Very high | 98.5 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.9 | 177.9 | 168.6 | 174.6 | 169.7 | 0 | 112.6 | E740 N746 E747 E748 | E740-K744 VanDerWaalsContact O-CB 3.3Å; E740-K744 WeakPolarHBondContact O-CB 3.36Å; E740-K744 PolarHBondContact O-N 2.93Å; E740-K744 VanDerWaalsContact O-N 3.1Å; K744-N746 VanDerWaalsContact C-N 3.3Å; K744-N746 PolarHBondContact O-N 2.91Å; K744-E747 PolarHBondContact O-N 3.04Å; K744-E748 WeakPolarHBondContact CE-OE1 3.41Å; K744-E748 IonicContact NZ-OE1 2.92Å; K744-E748 WeakPolarHBondContact O-CG 3.46Å; K744-E748 PolarHBondContact O-N 3.47Å |
| 745 | A | 98.5 | Very high | 98.5 | Very high | 44 Ų | 44 | 99.6 Ų | 99.6 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K741 L742 D743 E748 I749 | K741-A745 WeakPolarHBondContact O-CB 3.16Å; K741-A745 PolarHBondContact O-N 3.44Å; L742-A745 PolarHBondContact O-N 3.07Å; D743-A745 PolarHBondContact O-N 2.9Å; A745-E748 PolarHBondContact O-N 3.46Å; A745-I749 WeakPolarHBondContact O-CB 3.5Å; A745-I749 WeakPolarHBondContact O-CD1 3.37Å; A745-I749 WeakPolarHBondContact O-CG1 3.3Å; A745-I749 PolarHBondContact O-N 3.34Å |
| 746 | N | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 174 | -74.9 | -29 | 0 | 0 | 0 | 112.4 | L742 D743 K744 I749 A750 | L742-N746 VanDerWaalsContact CD2-ND2 3.3Å; L742-N746 WeakPolarHBondContact CD2-ND2 3.49Å; L742-N746 WeakPolarHBondContact O-CB 3.43Å; L742-N746 VanDerWaalsContact O-CG 3.28Å; L742-N746 PolarHBondContact O-N 3.43Å; L742-N746 PolarHBondContact O-ND2 3.41Å; D743-N746 CarbonylContact O-C 3.6Å; D743-N746 WeakPolarHBondContact O-CB 3.33Å; D743-N746 PolarHBondContact O-N 3.37Å; K744-N746 VanDerWaalsContact C-N 3.3Å; K744-N746 PolarHBondContact O-N 2.91Å; N746-I749 PolarHBondContact O-N 2.92Å; N746-A750 WeakPolarHBondContact O-CB 2.98Å; N746-A750 PolarHBondContact O-N 3.43Å |
| 747 | E | 98.5 | Very high | 98.5 | Very high | 137 Ų | 137 | 100.5 Ų | 100.5 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 173.4 | -170.6 | -178.1 | -159.1 | 0 | 0 | 111.4 | D743 K744 I749 A750 Q751 | D743-E747 PolarHBondContact O-N 2.61Å; K744-E747 PolarHBondContact O-N 3.04Å; E747-I749 VanDerWaalsContact C-N 3.34Å; E747-I749 PolarHBondContact O-N 2.66Å; E747-A750 PolarHBondContact O-N 3.37Å; E747-Q751 WeakPolarHBondContact O-CB 3.13Å; E747-Q751 PolarHBondContact O-N 3.01Å |
| 748 | E | 98.5 | Very high | 98.5 | Very high | 108 Ų | 108 | 99.6 Ų | 99.6 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.6 | -72.7 | -178.9 | -164.8 | 0 | 0 | 111.4 | K744 A745 Q751 V752 | K744-E748 WeakPolarHBondContact CE-OE1 3.41Å; K744-E748 IonicContact NZ-OE1 2.92Å; K744-E748 WeakPolarHBondContact O-CG 3.46Å; K744-E748 PolarHBondContact O-N 3.47Å; A745-E748 PolarHBondContact O-N 3.46Å; E748-Q751 PolarHBondContact O-N 3.31Å; E748-V752 WeakPolarHBondContact O-CG2 3.33Å; E748-V752 PolarHBondContact O-N 2.97Å |
| 749 | I | 98.3 | Very high | 98.5 | Very high | 73 Ų | 73 | 101.9 Ų | 101.9 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 173.4 | -72.6 | 164.7 | 0 | 0 | 0 | 111.5 | A745 N746 E747 V752 R753 | A745-I749 WeakPolarHBondContact O-CB 3.5Å; A745-I749 WeakPolarHBondContact O-CD1 3.37Å; A745-I749 WeakPolarHBondContact O-CG1 3.3Å; A745-I749 PolarHBondContact O-N 3.34Å; N746-I749 PolarHBondContact O-N 2.92Å; E747-I749 VanDerWaalsContact C-N 3.34Å; E747-I749 PolarHBondContact O-N 2.66Å; I749-V752 PolarHBondContact O-N 2.92Å; I749-R753 HydrophobicContact CG2-CG 4.37Å; I749-R753 VanDerWaalsContact O-CB 3.32Å; I749-R753 WeakPolarHBondContact O-CB 3.33Å; I749-R753 VanDerWaalsContact O-CG 3.22Å; I749-R753 WeakPolarHBondContact O-CG 3.44Å; I749-R753 PolarHBondContact O-N 2.69Å |
| 750 | A | 98.5 | Very high | 98.4 | Very high | 48 Ų | 48 | 101.4 Ų | 101.4 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N746 E747 R753 T754 | N746-A750 WeakPolarHBondContact O-CB 2.98Å; N746-A750 PolarHBondContact O-N 3.43Å; E747-A750 PolarHBondContact O-N 3.37Å; A750-R753 PolarHBondContact O-N 2.88Å; A750-T754 WeakPolarHBondContact O-CB 3.22Å; A750-T754 WeakPolarHBondContact O-CG2 3.34Å; A750-T754 PolarHBondContact O-N 3.14Å; A750-T754 PolarHBondContact O-OG1 3.02Å |
| 751 | Q | 98.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 98.6 Ų | 98.6 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 174.7 | -170.1 | -179.2 | 99.7 | 0 | 0 | 111.6 | E747 E748 T754 K755 | E747-Q751 WeakPolarHBondContact O-CB 3.13Å; E747-Q751 PolarHBondContact O-N 3.01Å; E748-Q751 PolarHBondContact O-N 3.31Å; Q751-T754 WeakPolarHBondContact CA-OG1 3.39Å; Q751-T754 PolarHBondContact O-OG1 3Å; Q751-K755 VanDerWaalsContact O-CB 3.24Å; Q751-K755 WeakPolarHBondContact O-CB 3.32Å; Q751-K755 PolarHBondContact O-N 2.85Å |
| 752 | V | 98.7 | Very high | 98.4 | Very high | 99 Ų | 99 | 95.8 Ų | 95.8 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | E748 I749 K755 A756 | E748-V752 WeakPolarHBondContact O-CG2 3.33Å; E748-V752 PolarHBondContact O-N 2.97Å; I749-V752 PolarHBondContact O-N 2.92Å; V752-K755 PolarHBondContact O-N 3.1Å; V752-A756 VanDerWaalsContact O-CB 3.27Å; V752-A756 WeakPolarHBondContact O-CB 3.44Å; V752-A756 PolarHBondContact O-N 3.06Å |
| 753 | R | 98.3 | Very high | 98.3 | Very high | 170 Ų | 170 | 97.1 Ų | 97.1 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 177.9 | -76.2 | 171 | 174.5 | 173.4 | -1.2 | 112.6 | I749 A750 K757 | I749-R753 HydrophobicContact CG2-CG 4.37Å; I749-R753 VanDerWaalsContact O-CB 3.32Å; I749-R753 WeakPolarHBondContact O-CB 3.33Å; I749-R753 VanDerWaalsContact O-CG 3.22Å; I749-R753 WeakPolarHBondContact O-CG 3.44Å; I749-R753 PolarHBondContact O-N 2.69Å; A750-R753 PolarHBondContact O-N 2.88Å; R753-K757 WeakPolarHBondContact O-CB 3.37Å; R753-K757 VanDerWaalsContact O-CG 3.28Å; R753-K757 WeakPolarHBondContact O-CG 3.31Å; R753-K757 PolarHBondContact O-N 3.04Å |
| 754 | T | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 55% | 0.546 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 178 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | A750 Q751 K757 A758 | A750-T754 WeakPolarHBondContact O-CB 3.22Å; A750-T754 WeakPolarHBondContact O-CG2 3.34Å; A750-T754 PolarHBondContact O-N 3.14Å; A750-T754 PolarHBondContact O-OG1 3.02Å; Q751-T754 WeakPolarHBondContact CA-OG1 3.39Å; Q751-T754 PolarHBondContact O-OG1 3Å; T754-K757 PolarHBondContact O-N 3.34Å; T754-A758 PolarHBondContact O-N 3.1Å |
| 755 | K | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 93.9 Ų | 93.9 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 172.8 | -178.3 | -179.5 | 167.7 | -174.8 | 0 | 112 | Q751 V752 K757 A758 E759 | Q751-K755 VanDerWaalsContact O-CB 3.24Å; Q751-K755 WeakPolarHBondContact O-CB 3.32Å; Q751-K755 PolarHBondContact O-N 2.85Å; V752-K755 PolarHBondContact O-N 3.1Å; K755-K757 VanDerWaalsContact C-N 3.32Å; K755-K757 PolarHBondContact O-N 3.33Å; K755-A758 WeakPolarHBondContact O-CB 3.4Å; K755-A758 PolarHBondContact O-N 3.05Å; K755-A758 VanDerWaalsContact O-N 3.09Å; K755-E759 WeakPolarHBondContact CE-OE1 3.39Å; K755-E759 HydrophobicContact CG-CG 4.45Å; K755-E759 IonicContact NZ-OE1 2.61Å; K755-E759 WeakPolarHBondContact O-CG 3.5Å; K755-E759 PolarHBondContact O-N 3.29Å |
| 756 | A | 98.4 | Very high | 98.3 | Very high | 50 Ų | 50 | 93.5 Ų | 93.5 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V752 S760 | V752-A756 VanDerWaalsContact O-CB 3.27Å; V752-A756 WeakPolarHBondContact O-CB 3.44Å; V752-A756 PolarHBondContact O-N 3.06Å; A756-S760 WeakPolarHBondContact O-CB 3.48Å; A756-S760 PolarHBondContact O-N 3.2Å |
| 757 | K | 98.4 | Very high | 98.2 | Very high | 158 Ų | 158 | 94.5 Ų | 94.5 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 171.3 | -77.1 | 175.5 | 178.4 | -174.3 | 0 | 112.1 | R753 T754 K755 A761 | R753-K757 WeakPolarHBondContact O-CB 3.37Å; R753-K757 VanDerWaalsContact O-CG 3.28Å; R753-K757 WeakPolarHBondContact O-CG 3.31Å; R753-K757 PolarHBondContact O-N 3.04Å; T754-K757 PolarHBondContact O-N 3.34Å; K755-K757 VanDerWaalsContact C-N 3.32Å; K755-K757 PolarHBondContact O-N 3.33Å; K757-A761 WeakPolarHBondContact O-CB 3.45Å; K757-A761 PolarHBondContact O-N 2.87Å |
| 758 | A | 98.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 95.1 Ų | 95.1 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T754 K755 A761 A762 | T754-A758 PolarHBondContact O-N 3.1Å; K755-A758 WeakPolarHBondContact O-CB 3.4Å; K755-A758 PolarHBondContact O-N 3.05Å; K755-A758 VanDerWaalsContact O-N 3.09Å; A758-A761 PolarHBondContact O-N 2.79Å; A758-A762 WeakPolarHBondContact O-CB 3.34Å; A758-A762 PolarHBondContact O-N 2.96Å |
| 759 | E | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.3 | -71.5 | 175.5 | 163 | 0 | 0 | 111.3 | K755 A762 L763 | K755-E759 WeakPolarHBondContact CE-OE1 3.39Å; K755-E759 HydrophobicContact CG-CG 4.45Å; K755-E759 IonicContact NZ-OE1 2.61Å; K755-E759 WeakPolarHBondContact O-CG 3.5Å; K755-E759 PolarHBondContact O-N 3.29Å; E759-A762 PolarHBondContact O-N 3.06Å; E759-L763 WeakPolarHBondContact O-CB 3.24Å; E759-L763 WeakPolarHBondContact O-CG 3.47Å; E759-L763 PolarHBondContact O-N 3.04Å |
| 760 | S | 97.8 | Very high | 98.1 | Very high | 76 Ų | 76 | 97.4 Ų | 97.4 | 53% | 0.531 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | A756 A762 L763 H764 | A756-S760 WeakPolarHBondContact O-CB 3.48Å; A756-S760 PolarHBondContact O-N 3.2Å; S760-A762 PolarHBondContact O-N 3.48Å; S760-L763 PolarHBondContact O-N 2.97Å; S760-H764 WeakPolarHBondContact O-CB 3.39Å; S760-H764 PolarHBondContact O-N 2.73Å |
| 761 | A | 98.2 | Very high | 98.1 | Very high | 59 Ų | 59 | 100 Ų | 100 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K757 A758 H764 A765 | K757-A761 WeakPolarHBondContact O-CB 3.45Å; K757-A761 PolarHBondContact O-N 2.87Å; A758-A761 PolarHBondContact O-N 2.79Å; A761-H764 PolarHBondContact O-N 3.46Å; A761-A765 WeakPolarHBondContact O-CB 3.19Å; A761-A765 PolarHBondContact O-N 3.07Å |
| 762 | A | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 99.5 Ų | 99.5 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A758 E759 S760 A765 G766 | A758-A762 WeakPolarHBondContact O-CB 3.34Å; A758-A762 PolarHBondContact O-N 2.96Å; E759-A762 PolarHBondContact O-N 3.06Å; S760-A762 PolarHBondContact O-N 3.48Å; A762-A765 PolarHBondContact O-N 3.37Å; A762-G766 PolarHBondContact O-N 3.35Å |
| 763 | L | 97.8 | Very high | 98 | Very high | 132 Ų | 132 | 99.9 Ų | 99.9 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 174.5 | -72.2 | 172.6 | 0 | 0 | 0 | 111.9 | E759 S760 G766 L767 | E759-L763 WeakPolarHBondContact O-CB 3.24Å; E759-L763 WeakPolarHBondContact O-CG 3.47Å; E759-L763 PolarHBondContact O-N 3.04Å; S760-L763 PolarHBondContact O-N 2.97Å; L763-G766 PolarHBondContact O-N 3.3Å; L763-L767 WeakPolarHBondContact O-CB 3.23Å; L763-L767 PolarHBondContact O-N 3.02Å |
| 764 | H | 98.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 95 Ų | 95 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.3 | -167.9 | 52.5 | 0 | 0 | 0 | 112.6 | S760 A761 L767 R768 | S760-H764 WeakPolarHBondContact O-CB 3.39Å; S760-H764 PolarHBondContact O-N 2.73Å; A761-H764 PolarHBondContact O-N 3.46Å; H764-L767 PolarHBondContact O-N 2.89Å; H764-R768 PolarHBondContact NE2-NH2 2.9Å; H764-R768 PolarHBondContact O-N 3.27Å |
| 765 | A | 98 | Very high | 97.9 | Very high | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A761 A762 K769 | A761-A765 WeakPolarHBondContact O-CB 3.19Å; A761-A765 PolarHBondContact O-N 3.07Å; A762-A765 PolarHBondContact O-N 3.37Å; A765-K769 WeakPolarHBondContact O-CB 3.34Å; A765-K769 PolarHBondContact O-N 2.97Å |
| 766 | G | 97.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 91.4 Ų | 91.4 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A762 L763 K769 E770 | A762-G766 PolarHBondContact O-N 3.35Å; L763-G766 PolarHBondContact O-N 3.3Å; G766-K769 WeakPolarHBondContact O-CB 3.28Å; G766-K769 PolarHBondContact O-N 2.88Å; G766-E770 PolarHBondContact O-N 3.09Å; G766-E770 VanDerWaalsContact O-N 3.07Å |
| 767 | L | 97.7 | Very high | 97.8 | Very high | 106 Ų | 106 | 94.2 Ų | 94.2 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.5 | -50.7 | 175.9 | 177.8 | 60.9 | 0 | 0 | 0 | 111.1 | L763 H764 K769 E770 Q771 | L763-L767 WeakPolarHBondContact O-CB 3.23Å; L763-L767 PolarHBondContact O-N 3.02Å; H764-L767 PolarHBondContact O-N 2.89Å; L767-K769 VanDerWaalsContact C-N 3.28Å; L767-K769 PolarHBondContact O-N 3.47Å; L767-E770 PolarHBondContact O-N 3.49Å; L767-Q771 VanDerWaalsContact O-CB 3.29Å; L767-Q771 WeakPolarHBondContact O-CB 3.5Å; L767-Q771 PolarHBondContact O-N 3.3Å |
| 768 | R | 97.7 | Very high | 97.7 | Very high | 150 Ų | 150 | 91.6 Ų | 91.6 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.8 | -37.6 | 176.2 | -78.4 | -173.2 | 176.4 | 144.8 | -5.3 | 113.1 | H764 Q771 M772 | H764-R768 PolarHBondContact NE2-NH2 2.9Å; H764-R768 PolarHBondContact O-N 3.27Å; R768-Q771 PolarHBondContact O-N 2.89Å; R768-M772 WeakPolarHBondContact O-CB 3.3Å; R768-M772 VanDerWaalsContact O-CG 3.31Å; R768-M772 WeakPolarHBondContact O-CG 3.43Å; R768-M772 PolarHBondContact O-N 3.5Å |
| 769 | K | 97.9 | Very high | 97.6 | Very high | 145 Ų | 145 | 95 Ų | 95 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 177.8 | -177.1 | -169 | 170.7 | -165.1 | 0 | 111.8 | A765 G766 L767 K773 | A765-K769 WeakPolarHBondContact O-CB 3.34Å; A765-K769 PolarHBondContact O-N 2.97Å; G766-K769 WeakPolarHBondContact O-CB 3.28Å; G766-K769 PolarHBondContact O-N 2.88Å; L767-K769 VanDerWaalsContact C-N 3.28Å; L767-K769 PolarHBondContact O-N 3.47Å; K769-K773 WeakPolarHBondContact O-CB 3.5Å; K769-K773 PolarHBondContact O-N 3.45Å |
| 770 | E | 96.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 92.4 Ų | 92.4 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.5 | -33 | 177.7 | -64 | -60.1 | 127.6 | 0 | 0 | 111.7 | G766 L767 K773 V774 | G766-E770 PolarHBondContact O-N 3.09Å; G766-E770 VanDerWaalsContact O-N 3.07Å; L767-E770 PolarHBondContact O-N 3.49Å; E770-K773 WeakPolarHBondContact O-CB 3.43Å; E770-K773 PolarHBondContact O-N 2.88Å; E770-K773 IonicContact OE1-NZ 2.65Å; E770-K773 WeakPolarHBondContact OE2-CD 3.38Å; E770-K773 IonicContact OE2-NZ 2.67Å; E770-K773 PolarHBondContact OE2-NZ 3.13Å; E770-V774 WeakPolarHBondContact O-CG2 3.46Å; E770-V774 PolarHBondContact O-N 3.49Å |
| 771 | Q | 97.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 93.5 Ų | 93.5 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -53.8 | 170.8 | -169.6 | 76.6 | 36 | 0 | 0 | 111.3 | L767 R768 K773 V774 E775 | L767-Q771 VanDerWaalsContact O-CB 3.29Å; L767-Q771 WeakPolarHBondContact O-CB 3.5Å; L767-Q771 PolarHBondContact O-N 3.3Å; R768-Q771 PolarHBondContact O-N 2.89Å; Q771-K773 PolarHBondContact O-N 3.21Å; Q771-V774 PolarHBondContact O-N 3.38Å; Q771-V774 VanDerWaalsContact O-N 3.11Å; Q771-E775 WeakPolarHBondContact CG-OE1 3.39Å; Q771-E775 WeakPolarHBondContact O-CG 3.37Å; Q771-E775 PolarHBondContact O-N 2.98Å |
| 772 | M | 97.8 | Very high | 97.5 | Very high | 124 Ų | 124 | 96 Ų | 96 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -31.1 | 176.5 | -73.6 | 174.6 | 169.5 | 0 | 0 | 113 | R768 S776 | R768-M772 WeakPolarHBondContact O-CB 3.3Å; R768-M772 VanDerWaalsContact O-CG 3.31Å; R768-M772 WeakPolarHBondContact O-CG 3.43Å; R768-M772 PolarHBondContact O-N 3.5Å; M772-S776 VanDerWaalsContact O-CB 3.31Å; M772-S776 WeakPolarHBondContact O-CB 3.43Å; M772-S776 PolarHBondContact O-N 3.48Å |
| 773 | K | 97.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 97.9 Ų | 97.9 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.8 | -39.4 | 176 | 174 | -179.4 | 149.8 | -150.1 | 0 | 111.8 | K769 E770 Q771 S776 L777 | K769-K773 WeakPolarHBondContact O-CB 3.5Å; K769-K773 PolarHBondContact O-N 3.45Å; E770-K773 WeakPolarHBondContact O-CB 3.43Å; E770-K773 PolarHBondContact O-N 2.88Å; E770-K773 IonicContact OE1-NZ 2.65Å; E770-K773 WeakPolarHBondContact OE2-CD 3.38Å; E770-K773 IonicContact OE2-NZ 2.67Å; E770-K773 PolarHBondContact OE2-NZ 3.13Å; Q771-K773 PolarHBondContact O-N 3.21Å; K773-S776 PolarHBondContact O-N 3.45Å; K773-L777 HydrophobicContact CG-CD1 4.29Å; K773-L777 WeakPolarHBondContact O-CG 3.32Å; K773-L777 PolarHBondContact O-N 2.9Å |
| 774 | V | 97.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 96.9 Ų | 96.9 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -52.9 | 171.3 | 170 | 0 | 0 | 0 | 0 | 109.8 | E770 Q771 S776 L777 E778 | E770-V774 WeakPolarHBondContact O-CG2 3.46Å; E770-V774 PolarHBondContact O-N 3.49Å; Q771-V774 PolarHBondContact O-N 3.38Å; Q771-V774 VanDerWaalsContact O-N 3.11Å; V774-S776 PolarHBondContact O-N 3Å; V774-S776 VanDerWaalsContact O-N 3.11Å; V774-L777 CarbonylContact O-C 3.59Å; V774-L777 PolarHBondContact O-N 3.5Å; V774-E778 HydrophobicContact CG1-CG 4.19Å; V774-E778 WeakPolarHBondContact CG1-OE1 3.24Å; V774-E778 WeakPolarHBondContact O-CG 2.77Å; V774-E778 PolarHBondContact O-N 2.79Å |
| 775 | E | 97 | Very high | 97.3 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54.6 | -34.1 | 175.7 | -69.1 | 165.4 | -166.6 | 0 | 0 | 112.6 | Q771 R779 | Q771-E775 WeakPolarHBondContact CG-OE1 3.39Å; Q771-E775 WeakPolarHBondContact O-CG 3.37Å; Q771-E775 PolarHBondContact O-N 2.98Å; E775-R779 WeakPolarHBondContact O-CB 3.49Å; E775-R779 WeakPolarHBondContact O-CG 3.43Å; E775-R779 PolarHBondContact O-N 2.9Å; E775-R779 VanDerWaalsContact O-N 3.11Å; E775-R779 PolarHBondContact O-NE 3.19Å; E775-R779 VanDerWaalsContact O-NE 3.11Å |
| 776 | S | 97.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 99.1 Ų | 99.1 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -76.8 | -31.1 | 176.7 | -162.9 | 0 | 0 | 0 | 0 | 113.8 | M772 K773 V774 A780 | M772-S776 VanDerWaalsContact O-CB 3.31Å; M772-S776 WeakPolarHBondContact O-CB 3.43Å; M772-S776 PolarHBondContact O-N 3.48Å; K773-S776 PolarHBondContact O-N 3.45Å; V774-S776 PolarHBondContact O-N 3Å; V774-S776 VanDerWaalsContact O-N 3.11Å; S776-A780 WeakPolarHBondContact O-CB 3.35Å; S776-A780 PolarHBondContact O-N 2.91Å |
| 777 | L | 97.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 100.4 Ų | 100.4 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -76.5 | -37.8 | 173.6 | -71.7 | 169.3 | 0 | 0 | 0 | 111.1 | K773 V774 A780 L781 | K773-L777 HydrophobicContact CG-CD1 4.29Å; K773-L777 WeakPolarHBondContact O-CG 3.32Å; K773-L777 PolarHBondContact O-N 2.9Å; V774-L777 CarbonylContact O-C 3.59Å; V774-L777 PolarHBondContact O-N 3.5Å; L777-A780 PolarHBondContact O-N 3.24Å; L777-L781 VanDerWaalsContact O-CB 3.31Å; L777-L781 WeakPolarHBondContact O-CB 3.46Å; L777-L781 PolarHBondContact O-N 2.84Å |
| 778 | E | 96.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 173.1 | -72.2 | 173.9 | 163.1 | 0 | 0 | 111.3 | V774 A780 L781 Q782 | V774-E778 HydrophobicContact CG1-CG 4.19Å; V774-E778 WeakPolarHBondContact CG1-OE1 3.24Å; V774-E778 WeakPolarHBondContact O-CG 2.77Å; V774-E778 PolarHBondContact O-N 2.79Å; E778-A780 VanDerWaalsContact C-N 3.34Å; E778-A780 PolarHBondContact O-N 3.28Å; E778-L781 PolarHBondContact O-N 3.34Å; E778-Q782 WeakPolarHBondContact O-CB 3.42Å; E778-Q782 VanDerWaalsContact O-CG 3.27Å; E778-Q782 WeakPolarHBondContact O-CG 3.43Å; E778-Q782 PolarHBondContact O-N 3.28Å |
| 779 | R | 96.8 | Very high | 96.8 | Very high | 134 Ų | 134 | 97.8 Ų | 97.8 | 51% | 0.506 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 173.8 | -78.1 | -179.9 | -77.2 | 103.8 | -4.3 | 112.9 | E775 Q782 Q783 | E775-R779 WeakPolarHBondContact O-CB 3.49Å; E775-R779 WeakPolarHBondContact O-CG 3.43Å; E775-R779 PolarHBondContact O-N 2.9Å; E775-R779 VanDerWaalsContact O-N 3.11Å; E775-R779 PolarHBondContact O-NE 3.19Å; E775-R779 VanDerWaalsContact O-NE 3.11Å; R779-Q782 PolarHBondContact O-N 2.93Å; R779-Q783 PolarHBondContact O-N 3.47Å |
| 780 | A | 97 | Very high | 96.6 | Very high | 48 Ų | 48 | 96.7 Ų | 96.7 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S776 L777 E778 K784 | S776-A780 WeakPolarHBondContact O-CB 3.35Å; S776-A780 PolarHBondContact O-N 2.91Å; L777-A780 PolarHBondContact O-N 3.24Å; E778-A780 VanDerWaalsContact C-N 3.34Å; E778-A780 PolarHBondContact O-N 3.28Å; A780-K784 WeakPolarHBondContact O-CG 3.29Å; A780-K784 PolarHBondContact O-N 2.88Å |
| 781 | L | 96.7 | Very high | 96.5 | Very high | 100 Ų | 100 | 97.8 Ų | 97.8 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 174.1 | -172 | 160 | 0 | 0 | 0 | 110.8 | L777 E778 Q783 K784 N785 | L777-L781 VanDerWaalsContact O-CB 3.31Å; L777-L781 WeakPolarHBondContact O-CB 3.46Å; L777-L781 PolarHBondContact O-N 2.84Å; E778-L781 PolarHBondContact O-N 3.34Å; L781-Q783 PolarHBondContact O-N 2.92Å; L781-K784 PolarHBondContact O-N 2.83Å; L781-K784 VanDerWaalsContact O-N 3.15Å; L781-N785 PolarHBondContact O-N 3.47Å |
| 782 | Q | 96.6 | Very high | 96.3 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 173.3 | -74 | 167.8 | -2.8 | 0 | 0 | 111.5 | E778 R779 K784 N785 Q786 | E778-Q782 WeakPolarHBondContact O-CB 3.42Å; E778-Q782 VanDerWaalsContact O-CG 3.27Å; E778-Q782 WeakPolarHBondContact O-CG 3.43Å; E778-Q782 PolarHBondContact O-N 3.28Å; R779-Q782 PolarHBondContact O-N 2.93Å; Q782-K784 VanDerWaalsContact C-N 3.35Å; Q782-K784 PolarHBondContact O-N 3.34Å; Q782-N785 PolarHBondContact O-N 3.46Å; Q782-Q786 WeakPolarHBondContact O-CG 3.46Å; Q782-Q786 PolarHBondContact O-N 3.47Å |
| 783 | Q | 96.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 95.7 Ų | 95.7 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 173.7 | -173.2 | -168.9 | -37.1 | 0 | 0 | 111.3 | R779 L781 N785 Q786 E787 | R779-Q783 PolarHBondContact O-N 3.47Å; L781-Q783 PolarHBondContact O-N 2.92Å; Q783-N785 VanDerWaalsContact C-N 3.34Å; Q783-N785 PolarHBondContact O-N 2.87Å; Q783-Q786 WeakPolarHBondContact O-CB 3.19Å; Q783-Q786 PolarHBondContact O-N 3.3Å; Q783-E787 PolarHBondContact NE2-OE1 2.99Å; Q783-E787 WeakPolarHBondContact O-CG 3.45Å; Q783-E787 PolarHBondContact O-N 3.37Å |
| 784 | K | 96.7 | Very high | 95.9 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -33.8 | 178.3 | -73.8 | -69.2 | 168.5 | -139.3 | 0 | 113.2 | A780 L781 Q782 E787 I788 | A780-K784 WeakPolarHBondContact O-CG 3.29Å; A780-K784 PolarHBondContact O-N 2.88Å; L781-K784 PolarHBondContact O-N 2.83Å; L781-K784 VanDerWaalsContact O-N 3.15Å; Q782-K784 VanDerWaalsContact C-N 3.35Å; Q782-K784 PolarHBondContact O-N 3.34Å; K784-E787 IonicContact NZ-OE1 3.17Å; K784-E787 PolarHBondContact NZ-OE1 2.84Å; K784-E787 IonicContact NZ-OE2 2.75Å; K784-E787 PolarHBondContact NZ-OE2 3.22Å; K784-I788 WeakPolarHBondContact O-CB 2.88Å; K784-I788 WeakPolarHBondContact O-CD1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.36Å; K784-I788 PolarHBondContact O-N 2.89Å |
| 785 | N | 96.4 | Very high | 95.5 | Very high | 82 Ų | 82 | 94.9 Ų | 94.9 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 171.6 | -74.1 | 2.2 | 0 | 0 | 0 | 111.5 | L781 Q782 Q783 I788 E789 | L781-N785 PolarHBondContact O-N 3.47Å; Q782-N785 PolarHBondContact O-N 3.46Å; Q783-N785 VanDerWaalsContact C-N 3.34Å; Q783-N785 PolarHBondContact O-N 2.87Å; N785-I788 PolarHBondContact O-N 2.69Å; N785-E789 WeakPolarHBondContact O-CG 3.22Å; N785-E789 PolarHBondContact O-N 3.16Å |
| 786 | Q | 96.8 | Very high | 95.3 | Very high | 118 Ų | 118 | 95.4 Ų | 95.4 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 174.3 | -72.1 | 169.7 | -11.8 | 0 | 0 | 111.8 | Q782 Q783 I788 E789 E790 | Q782-Q786 WeakPolarHBondContact O-CG 3.46Å; Q782-Q786 PolarHBondContact O-N 3.47Å; Q783-Q786 WeakPolarHBondContact O-CB 3.19Å; Q783-Q786 PolarHBondContact O-N 3.3Å; Q786-I788 VanDerWaalsContact C-N 3.32Å; Q786-I788 PolarHBondContact O-N 2.89Å; Q786-E789 PolarHBondContact O-N 3.32Å; Q786-E790 WeakPolarHBondContact O-CG 3.31Å; Q786-E790 PolarHBondContact O-N 3.36Å |
| 787 | E | 95 | Very high | 95 | Very high | 62 Ų | 62 | 97.5 Ų | 97.5 | 29% | 0.29 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 173.4 | -70.9 | 175.2 | -145.8 | 0 | 0 | 112 | Q783 K784 E790 L791 | Q783-E787 PolarHBondContact NE2-OE1 2.99Å; Q783-E787 WeakPolarHBondContact O-CG 3.45Å; Q783-E787 PolarHBondContact O-N 3.37Å; K784-E787 IonicContact NZ-OE1 3.17Å; K784-E787 PolarHBondContact NZ-OE1 2.84Å; K784-E787 IonicContact NZ-OE2 2.75Å; K784-E787 PolarHBondContact NZ-OE2 3.22Å; E787-E790 PolarHBondContact O-N 3.02Å; E787-L791 WeakPolarHBondContact O-CB 3.22Å; E787-L791 VanDerWaalsContact O-CG 3.24Å; E787-L791 WeakPolarHBondContact O-CG 3.4Å; E787-L791 PolarHBondContact O-N 3Å |
| 788 | I | 94.3 | Very high | 94.6 | Very high | 98 Ų | 98 | 96.7 Ų | 96.7 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175 | -72.4 | 163.8 | 0 | 0 | 0 | 110.6 | K784 N785 Q786 E790 L791 T792 | K784-I788 WeakPolarHBondContact O-CB 2.88Å; K784-I788 WeakPolarHBondContact O-CD1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.36Å; K784-I788 PolarHBondContact O-N 2.89Å; N785-I788 PolarHBondContact O-N 2.69Å; Q786-I788 VanDerWaalsContact C-N 3.32Å; Q786-I788 PolarHBondContact O-N 2.89Å; I788-E790 VanDerWaalsContact C-N 3.32Å; I788-E790 PolarHBondContact O-N 3.46Å; I788-L791 PolarHBondContact O-N 2.7Å; I788-T792 WeakPolarHBondContact O-CB 3.44Å; I788-T792 PolarHBondContact O-N 2.75Å; I788-T792 PolarHBondContact O-OG1 3.36Å; I788-T792 VanDerWaalsContact O-OG1 3.07Å |
| 789 | E | 94.8 | Very high | 94.1 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 176 | -79.3 | -174.4 | -145 | 0 | 0 | 112.4 | N785 Q786 T792 K793 | N785-E789 WeakPolarHBondContact O-CG 3.22Å; N785-E789 PolarHBondContact O-N 3.16Å; Q786-E789 PolarHBondContact O-N 3.32Å; E789-T792 PolarHBondContact O-N 2.85Å; E789-K793 WeakPolarHBondContact O-CB 3.44Å; E789-K793 WeakPolarHBondContact O-CD 3.35Å; E789-K793 WeakPolarHBondContact O-CG 3.49Å; E789-K793 PolarHBondContact O-N 3.36Å; E789-K793 IonicContact OE2-NZ 3.22Å; E789-K793 PolarHBondContact OE2-NZ 3.36Å |
| 790 | E | 94.7 | Very high | 93.6 | Very high | 121 Ų | 121 | 92.8 Ų | 92.8 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67 | -43.6 | 176 | -74.3 | -178.3 | 175.8 | 0 | 0 | 111.7 | Q786 E787 I788 T792 K793 I794 | Q786-E790 WeakPolarHBondContact O-CG 3.31Å; Q786-E790 PolarHBondContact O-N 3.36Å; E787-E790 PolarHBondContact O-N 3.02Å; I788-E790 VanDerWaalsContact C-N 3.32Å; I788-E790 PolarHBondContact O-N 3.46Å; E790-T792 PolarHBondContact O-N 3.44Å; E790-K793 PolarHBondContact O-N 3.05Å; E790-I794 VanDerWaalsContact O-CG1 3.28Å; E790-I794 WeakPolarHBondContact O-CG1 3.43Å; E790-I794 PolarHBondContact O-N 3.4Å |
| 791 | L | 94.9 | Very high | 92.7 | Very high | 107 Ų | 107 | 95.9 Ų | 95.9 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 173.3 | -72.4 | 169.2 | 0 | 0 | 0 | 111.9 | E787 I788 I794 C795 | E787-L791 WeakPolarHBondContact O-CB 3.22Å; E787-L791 VanDerWaalsContact O-CG 3.24Å; E787-L791 WeakPolarHBondContact O-CG 3.4Å; E787-L791 PolarHBondContact O-N 3Å; I788-L791 PolarHBondContact O-N 2.7Å; L791-I794 PolarHBondContact O-N 3.25Å; L791-C795 PolarHBondContact O-N 2.89Å; L791-C795 PolarHBondContact O-SG 2.72Å; L791-C795 VanDerWaalsContact O-SG 3.38Å |
| 792 | T | 92.7 | Very high | 91.7 | Very high | 68 Ų | 68 | 97.6 Ų | 97.6 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 173.5 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | I788 E789 E790 I794 C795 D796 | I788-T792 WeakPolarHBondContact O-CB 3.44Å; I788-T792 PolarHBondContact O-N 2.75Å; I788-T792 PolarHBondContact O-OG1 3.36Å; I788-T792 VanDerWaalsContact O-OG1 3.07Å; E789-T792 PolarHBondContact O-N 2.85Å; E790-T792 PolarHBondContact O-N 3.44Å; T792-I794 VanDerWaalsContact C-N 3.28Å; T792-I794 PolarHBondContact O-N 2.93Å; T792-C795 PolarHBondContact O-N 2.87Å; T792-C795 VanDerWaalsContact O-N 3.12Å; T792-D796 WeakPolarHBondContact O-CB 3.33Å; T792-D796 VanDerWaalsContact O-CG 3.31Å; T792-D796 PolarHBondContact O-N 3.25Å |
| 793 | K | 94.3 | Very high | 90.2 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 174.8 | -71.2 | 155.7 | -161.8 | 161.5 | 0 | 111.8 | E789 E790 E797 | E789-K793 WeakPolarHBondContact O-CB 3.44Å; E789-K793 WeakPolarHBondContact O-CD 3.35Å; E789-K793 WeakPolarHBondContact O-CG 3.49Å; E789-K793 PolarHBondContact O-N 3.36Å; E789-K793 IonicContact OE2-NZ 3.22Å; E789-K793 PolarHBondContact OE2-NZ 3.36Å; E790-K793 PolarHBondContact O-N 3.05Å; K793-E797 WeakPolarHBondContact O-CB 3.49Å; K793-E797 PolarHBondContact O-N 2.83Å |
| 794 | I | 92.9 | Very high | 88.4 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 175.2 | -67.8 | 162.2 | 0 | 0 | 0 | 111.3 | E790 L791 T792 E797 L798 | E790-I794 VanDerWaalsContact O-CG1 3.28Å; E790-I794 WeakPolarHBondContact O-CG1 3.43Å; E790-I794 PolarHBondContact O-N 3.4Å; L791-I794 PolarHBondContact O-N 3.25Å; T792-I794 VanDerWaalsContact C-N 3.28Å; T792-I794 PolarHBondContact O-N 2.93Å; I794-E797 PolarHBondContact O-N 3.18Å; I794-L798 HydrophobicContact CG2-CD1 4.09Å; I794-L798 WeakPolarHBondContact O-CB 3.39Å; I794-L798 VanDerWaalsContact O-CG 3.29Å; I794-L798 WeakPolarHBondContact O-CG 3.29Å; I794-L798 PolarHBondContact O-N 2.76Å |
| 795 | C | 89.8 | Confident | 86.3 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.8 | -74.1 | 0 | 0 | 0 | 0 | 112 | L791 T792 L798 I799 | L791-C795 PolarHBondContact O-N 2.89Å; L791-C795 PolarHBondContact O-SG 2.72Å; L791-C795 VanDerWaalsContact O-SG 3.38Å; T792-C795 PolarHBondContact O-N 2.87Å; T792-C795 VanDerWaalsContact O-N 3.12Å; C795-L798 PolarHBondContact O-N 2.96Å; C795-I799 VanDerWaalsContact O-CG1 3.27Å; C795-I799 WeakPolarHBondContact O-CG1 3.38Å; C795-I799 PolarHBondContact O-N 2.99Å |
| 796 | D | 92.6 | Very high | 83.8 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -38.9 | 176.9 | -69.4 | -24 | 0 | 0 | 0 | 111.4 | T792 I799 A800 | T792-D796 WeakPolarHBondContact O-CB 3.33Å; T792-D796 VanDerWaalsContact O-CG 3.31Å; T792-D796 PolarHBondContact O-N 3.25Å; D796-I799 PolarHBondContact O-N 3.5Å; D796-A800 WeakPolarHBondContact O-CB 3.47Å; D796-A800 PolarHBondContact O-N 3.27Å |
| 797 | E | 89.9 | Confident | 83.1 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.2 | -37.3 | 174.8 | -157 | -156.5 | 168 | 0 | 0 | 112 | K793 I794 A800 K801 | K793-E797 WeakPolarHBondContact O-CB 3.49Å; K793-E797 PolarHBondContact O-N 2.83Å; I794-E797 PolarHBondContact O-N 3.18Å; E797-A800 PolarHBondContact O-N 2.94Å; E797-K801 WeakPolarHBondContact O-CD 3.48Å; E797-K801 VanDerWaalsContact O-CG 3.25Å; E797-K801 WeakPolarHBondContact O-CG 3.43Å; E797-K801 PolarHBondContact O-N 3.2Å; E797-K801 WeakPolarHBondContact OE1-CE 3.33Å; E797-K801 IonicContact OE1-NZ 2.7Å; E797-K801 PolarHBondContact OE1-NZ 3.44Å; E797-K801 IonicContact OE2-NZ 2.67Å; E797-K801 PolarHBondContact OE2-NZ 3.33Å |
| 798 | L | 89.5 | Confident | 82.5 | Confident | 92 Ų | 92 | 106.4 Ų | 106.4 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.6 | -43 | 174 | -72.6 | 168.3 | 0 | 0 | 0 | 111.7 | I794 C795 A800 K801 L802 | I794-L798 HydrophobicContact CG2-CD1 4.09Å; I794-L798 WeakPolarHBondContact O-CB 3.39Å; I794-L798 VanDerWaalsContact O-CG 3.29Å; I794-L798 WeakPolarHBondContact O-CG 3.29Å; I794-L798 PolarHBondContact O-N 2.76Å; C795-L798 PolarHBondContact O-N 2.96Å; L798-A800 VanDerWaalsContact C-N 3.34Å; L798-K801 PolarHBondContact O-N 3.49Å; L798-L802 WeakPolarHBondContact O-CG 3.37Å; L798-L802 PolarHBondContact O-N 2.78Å |
| 799 | I | 86.6 | Confident | 81.9 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.6 | -43.4 | 173.5 | -68.5 | 163.3 | 0 | 0 | 0 | 110.2 | C795 D796 K801 L802 G803 | C795-I799 VanDerWaalsContact O-CG1 3.27Å; C795-I799 WeakPolarHBondContact O-CG1 3.38Å; C795-I799 PolarHBondContact O-N 2.99Å; D796-I799 PolarHBondContact O-N 3.5Å; I799-K801 PolarHBondContact O-N 2.91Å; I799-L802 PolarHBondContact O-N 2.79Å; I799-G803 PolarHBondContact O-N 2.74Å |
| 800 | A | 85.6 | Confident | 81.1 | Confident | 48 Ų | 48 | 107 Ų | 107 | 40% | 0.397 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.9 | -8.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D796 E797 L798 K804 | D796-A800 WeakPolarHBondContact O-CB 3.47Å; D796-A800 PolarHBondContact O-N 3.27Å; E797-A800 PolarHBondContact O-N 2.94Å; L798-A800 VanDerWaalsContact C-N 3.34Å; A800-K804 WeakPolarHBondContact O-CD 3.41Å; A800-K804 WeakPolarHBondContact O-CE 3.3Å; A800-K804 PolarHBondContact O-NZ 3.17Å |
| 801 | K | 80.1 | Confident | 80.2 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -91.8 | -38 | 167 | -75.7 | 164.1 | -175 | 165.8 | 0 | 111.6 | E797 L798 I799 | E797-K801 WeakPolarHBondContact O-CD 3.48Å; E797-K801 VanDerWaalsContact O-CG 3.25Å; E797-K801 WeakPolarHBondContact O-CG 3.43Å; E797-K801 PolarHBondContact O-N 3.2Å; E797-K801 WeakPolarHBondContact OE1-CE 3.33Å; E797-K801 IonicContact OE1-NZ 2.7Å; E797-K801 PolarHBondContact OE1-NZ 3.44Å; E797-K801 IonicContact OE2-NZ 2.67Å; E797-K801 PolarHBondContact OE2-NZ 3.33Å; L798-K801 PolarHBondContact O-N 3.49Å; I799-K801 PolarHBondContact O-N 2.91Å |
| 802 | L | 74.6 | Confident | 79.3 | Confident | 135 Ų | 135 | 106.1 Ų | 106.1 | 71% | 0.707 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71 | -42.1 | 176.2 | -73.1 | 165.8 | 0 | 0 | 0 | 112.4 | L798 I799 K804 A805 | L798-L802 WeakPolarHBondContact O-CG 3.37Å; L798-L802 PolarHBondContact O-N 2.78Å; I799-L802 PolarHBondContact O-N 2.79Å; L802-K804 PolarHBondContact O-N 2.58Å; L802-A805 PolarHBondContact O-N 2.71Å |
| 803 | G | 65.1 | Low | 78.3 | Confident | 71 Ų | 71 | 108.8 Ų | 108.8 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 22.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I799 | I799-G803 PolarHBondContact O-N 2.74Š|
| 804 | K | 59.2 | Low | 77.1 | Confident | 168 Ų | 168 | 108.5 Ų | 108.5 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 18.9 | 174.2 | -65.7 | 177.7 | -174.7 | 155.5 | 0 | 111.8 | A800 L802 | A800-K804 WeakPolarHBondContact O-CD 3.41Å; A800-K804 WeakPolarHBondContact O-CE 3.3Å; A800-K804 PolarHBondContact O-NZ 3.17Å; L802-K804 PolarHBondContact O-N 2.58Å |
| 805 | A | 51.9 | Low | 75.8 | Confident | 83 Ų | 83 | 110 Ų | 110 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | trans | -118.5 | 55 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L802 | L802-A805 PolarHBondContact O-N 2.71Š| ||
| 806 | D | 44.3 | Very low | 74.5 | Confident | 239 Ų | 239 | 113.7 Ų | 113.7 | 100% | 1.278 | 64% | 0.639 | S | S | * | * | trans | -144.9 | 0 | 165.9 | -108.6 | -27 | 0 | 0 | 0 | 107.4 |
Retrieved 806 of 806 residues in 1359 ms
(Link to these results)