| 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 | 31.6 | Very low | 33.4 | Very low | 235 Ų | 235 | 138.9 Ų | 138.9 | 100% | 1.158 | 76% | 0.763 | S | S | * | * | 0 | 129.2 | 0 | -60.3 | 165 | 73.5 | 0 | 0 | 107.1 | |||||
| 2 | S | 28.3 | Very low | 33.3 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | cis | -163.8 | 155.8 | -20.1 | -86.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | D | 35 | Very low | 33.5 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 109.1 | 96.9 | 155.4 | -58.5 | -15.9 | 0 | 0 | 0 | 120.1 | ||||
| 4 | H | 31.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 52% | 0.519 | 77% | 0.769 | S | S | . | * | trans | -83.2 | -177.8 | 165.2 | -92.9 | -90.7 | 0 | 0 | 0 | 113 | H812 D813 | H4-H812 AromaticContact CE1-CE1 3.54Å; H4-H812 AromaticContact CE1-ND1 3.56Å; H4-H812 AromaticContact ND1-CD2 3.83Å; H4-H812 AromaticContact ND1-CE1 3.8Å; H4-H812 AromaticContact ND1-CG 3.58Å; H4-H812 AromaticContact ND1-ND1 3.55Å; H4-H812 AromaticContact ND1-NE2 3.98Å; H4-D813 IonicContact CE1-OD1 2.69Å; H4-D813 IonicContact CE1-OD2 2.65Å; H4-D813 PolarHBondContact CE1-OD2 3.21Å; H4-D813 IonicContact ND1-OD1 3.7Å; H4-D813 IonicContact ND1-OD2 3.02Å; H4-D813 PolarHBondContact ND1-OD2 3.36Å | ||
| 5 | M | 33.9 | Very low | 33.1 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 105.2 | 154.2 | -55.8 | -65.2 | 178.4 | 0 | 0 | 118 | K810 | M5-K810 PolarHBondContact O-NZ 2.84Š| ||
| 6 | A | 39.8 | Very low | 33.2 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 54% | 0.537 | 77% | 0.771 | S | S | . | * | 179 | 114.2 | 98.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K810 | A6-K810 HydrophobicContact CB-CD 4.31Š| |||
| 7 | G | 34 | Very low | 33.2 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | -96.9 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 8 | K | 36 | Very low | 33.1 | Very low | 208 Ų | 208 | 138.6 Ų | 138.6 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | -141.1 | 153.4 | 164.4 | -90.8 | -171 | 179 | 177.1 | 0 | 111.6 | ||||
| 9 | P | 34 | Very low | 33.3 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -102.3 | 155.4 | -155.4 | 38.4 | -34.7 | 0 | 0 | 0 | 114.5 | ||||
| 10 | N | 30.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | -104.7 | 143.5 | 170.1 | -153.9 | 2.9 | 0 | 0 | 0 | 111 | N816 | N10-N816 WeakPolarHBondContact CB-ND2 3.33Š| ||
| 11 | K | 33.1 | Very low | 33.3 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -106.4 | 138.4 | -174.7 | -70.7 | 179.8 | 177.5 | 178.8 | 0 | 111.1 | ||||
| 12 | G | 32.3 | Very low | 33.4 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | 168 | 74 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 13 | S | 35.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -85 | 143.9 | -175.1 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 14 | I | 31.4 | Very low | 33.7 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | -62.2 | 146.5 | 174.8 | -67.1 | 153.5 | 0 | 0 | 0 | 111.9 | Q16 | I14-Q16 HydrophobicContact CG2-CB 4.29Š| ||
| 15 | F | 30.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | trans | -120 | 100.5 | 155 | -99.9 | -80.6 | 0 | 0 | 0 | 108.7 | ||||
| 16 | Q | 33.6 | Very low | 33.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -135.5 | 132.8 | 158.1 | -86 | -172.5 | -13.9 | 0 | 0 | 107.2 | I14 | I14-Q16 HydrophobicContact CG2-CB 4.29Š| ||
| 17 | V | 33.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -96.8 | 122.8 | -177.1 | 172.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 18 | E | 32.7 | Very low | 33.3 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -67.8 | 152.7 | 174.1 | -67 | -178.9 | 126.9 | 0 | 0 | 111.8 | ||||
| 19 | H | 36.9 | Very low | 33.2 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -136.3 | 129.7 | 144 | -121.1 | -77.1 | 0 | 0 | 0 | 110.1 | ||||
| 20 | C | 30.4 | Very low | 33 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 160.6 | -162 | -37.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 21 | Y | 34.8 | Very low | 33.2 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | -175.9 | 137.1 | 123.7 | -95.2 | -63.9 | 0 | 0 | 0 | 112.4 | |||||
| 22 | G | 34.5 | Very low | 33.3 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 107.7 | 104.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 23 | P | 38 | Very low | 33.8 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -102.6 | 159 | -178 | 38.3 | -33.5 | 0 | 0 | 0 | 114.2 | ||||
| 24 | N | 31.6 | Very low | 35 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -174.6 | 144.1 | 131.7 | -92.8 | -28.2 | 0 | 0 | 0 | 114 | ||||
| 25 | N | 33 | Very low | 36.3 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 60.5 | 88.2 | 162.8 | -58.1 | -9.4 | 0 | 0 | 0 | 118.3 | ||||
| 26 | S | 31.9 | Very low | 38.1 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | 90.2 | 97 | 63.3 | 70.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 27 | N | 32.4 | Very low | 39.7 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | 172.6 | 126.9 | 116.7 | -86.7 | -22.6 | 0 | 0 | 0 | 111.7 | |||||
| 28 | G | 32.8 | Very low | 41.4 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | 133.9 | 85.6 | 167 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 29 | L | 34.5 | Very low | 43.5 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 94% | 0.937 | 73% | 0.728 | S | S | * | * | trans | -43.2 | 146.8 | 171.7 | -61.7 | 71.1 | 0 | 0 | 0 | 112.9 | ||||
| 30 | G | 30.3 | Very low | 45.7 | Very low | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | cis | 133.4 | 113.9 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | R | 35.1 | Very low | 47.9 | Very low | 248 Ų | 248 | 118 Ų | 118 | 94% | 0.936 | 69% | 0.685 | S | S | * | * | trans | -145.9 | 111.4 | 171.2 | -149.7 | -178.9 | -151.7 | -142 | 5.9 | 108.9 | S33 | R31-S33 PolarHBondContact O-N 2.96Š| ||
| 32 | A | 34.1 | Very low | 50.1 | Low | 103 Ų | 103 | 112.8 Ų | 112.8 | 85% | 0.851 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 33 | S | 42.8 | Very low | 52.4 | Low | 84 Ų | 84 | 117.8 Ų | 117.8 | 59% | 0.587 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150.9 | 157.6 | 36.1 | 0 | 0 | 0 | 0 | 109.7 | R31 E37 | R31-S33 PolarHBondContact O-N 2.96Å; S33-E37 WeakPolarHBondContact CB-OE2 3.38Å |
| 34 | S | 60.1 | Low | 54.7 | Low | 60 Ų | 60 | 118.3 Ų | 118.3 | 42% | 0.42 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -81.8 | 156.7 | -170.4 | 80.5 | 0 | 0 | 0 | 0 | 112.3 | E36 E37 T38 | S34-E36 PolarHBondContact O-N 3.12Å; S34-E36 WeakPolarHBondContact OG-CB 3.37Å; S34-E36 PolarHBondContact OG-N 3.37Å; S34-E37 WeakPolarHBondContact O-CB 3.48Å; S34-E37 PolarHBondContact O-N 2.65Å; S34-E37 VanDerWaalsContact O-N 3.07Å; S34-E37 PolarHBondContact OG-N 3.06Å; S34-T38 PolarHBondContact O-N 3.12Å; S34-T38 PolarHBondContact O-OG1 3Å |
| 35 | L | 59.9 | Low | 57.1 | Low | 155 Ų | 155 | 114 Ų | 114 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -51 | -31 | 169.7 | -173.4 | 72.9 | 0 | 0 | 0 | 112.2 | L39 | L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.2Å |
| 36 | E | 66.6 | Low | 59.6 | Low | 161 Ų | 161 | 111.2 Ų | 111.2 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.9 | -32.5 | -176.8 | -154.8 | 160.1 | -148.7 | 0 | 0 | 112.4 | S34 G40 | S34-E36 PolarHBondContact O-N 3.12Å; S34-E36 WeakPolarHBondContact OG-CB 3.37Å; S34-E36 PolarHBondContact OG-N 3.37Å; E36-G40 PolarHBondContact O-N 3.31Å |
| 37 | E | 67.8 | Low | 62.2 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.2 | -48.6 | 171 | -167 | 163.3 | -152.3 | 0 | 0 | 110.3 | S33 S34 L39 G40 D41 | S33-E37 WeakPolarHBondContact CB-OE2 3.38Å; S34-E37 WeakPolarHBondContact O-CB 3.48Å; S34-E37 PolarHBondContact O-N 2.65Å; S34-E37 VanDerWaalsContact O-N 3.07Å; S34-E37 PolarHBondContact OG-N 3.06Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 2.73Å; E37-G40 CarbonylContact O-C 3.58Å; E37-G40 VanDerWaalsContact O-CA 3.31Å; E37-G40 WeakPolarHBondContact O-CA 3.35Å; E37-G40 PolarHBondContact O-N 3.04Å; E37-D41 PolarHBondContact O-N 3.4Å |
| 38 | T | 69.8 | Low | 64.8 | Low | 77 Ų | 77 | 112.3 Ų | 112.3 | 47% | 0.472 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.6 | -41.3 | 174.5 | -25.2 | 0 | 0 | 0 | 0 | 112.5 | S34 G40 D41 M42 | S34-T38 PolarHBondContact O-N 3.12Å; S34-T38 PolarHBondContact O-OG1 3Å; T38-G40 VanDerWaalsContact C-N 3.32Å; T38-D41 PolarHBondContact O-N 3.37Å; T38-M42 PolarHBondContact O-N 2.79Å |
| 39 | L | 76.7 | Confident | 67.2 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 40% | 0.403 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.9 | -31.7 | 175 | -163.2 | 77.8 | 0 | 0 | 0 | 112 | L35 E37 R43 | L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.2Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 2.73Å; L39-R43 VanDerWaalsContact O-CG 3.28Å; L39-R43 WeakPolarHBondContact O-CG 3.41Å; L39-R43 PolarHBondContact O-N 3.4Å; L39-R43 VanDerWaalsContact O-N 3.09Å |
| 40 | G | 83.1 | Confident | 69.7 | Low | 19 Ų | 19 | 112.3 Ų | 112.3 | 20% | 0.196 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -63.2 | -45.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E36 E37 T38 R43 R44 | E36-G40 PolarHBondContact O-N 3.31Å; E37-G40 CarbonylContact O-C 3.58Å; E37-G40 VanDerWaalsContact O-CA 3.31Å; E37-G40 WeakPolarHBondContact O-CA 3.35Å; E37-G40 PolarHBondContact O-N 3.04Å; T38-G40 VanDerWaalsContact C-N 3.32Å; G40-R43 PolarHBondContact O-N 2.79Å; G40-R44 WeakPolarHBondContact O-CG 3.36Å; G40-R44 PolarHBondContact O-N 2.98Å |
| 41 | D | 77.3 | Confident | 72.2 | Confident | 73 Ų | 73 | 112.9 Ų | 112.9 | 39% | 0.39 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 176.6 | -69.7 | -44.9 | 0 | 0 | 0 | 112.6 | E37 T38 R43 R44 E45 | E37-D41 PolarHBondContact O-N 3.4Å; T38-D41 PolarHBondContact O-N 3.37Å; D41-R43 PolarHBondContact O-N 2.79Å; D41-R44 VanDerWaalsContact CG-NH2 3.34Å; D41-R44 WeakPolarHBondContact O-CB 3.38Å; D41-R44 PolarHBondContact O-N 3.22Å; D41-R44 VanDerWaalsContact O-N 3.14Å; D41-R44 IonicContact OD1-CZ 2.67Å; D41-R44 IonicContact OD1-NE 2.67Å; D41-R44 PolarHBondContact OD1-NE 3.43Å; D41-R44 IonicContact OD1-NH2 2.65Å; D41-R44 PolarHBondContact OD1-NH2 2.82Å; D41-R44 IonicContact OD2-NH2 3.53Å; D41-E45 PolarHBondContact O-N 3.28Å |
| 42 | M | 79.6 | Confident | 74.4 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.1 | -37 | 171.4 | -78.6 | -179.6 | 57.2 | 0 | 0 | 112.8 | T38 N46 | T38-M42 PolarHBondContact O-N 2.79Å; M42-N46 WeakPolarHBondContact O-CB 3.27Å; M42-N46 PolarHBondContact O-N 2.88Å |
| 43 | R | 83.4 | Confident | 76.6 | Confident | 178 Ų | 178 | 107.3 Ų | 107.3 | 67% | 0.672 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.1 | -40.6 | 176 | -75.4 | 171.6 | 179.1 | -178.7 | 2 | 112.1 | L39 G40 D41 F47 | L39-R43 VanDerWaalsContact O-CG 3.28Å; L39-R43 WeakPolarHBondContact O-CG 3.41Å; L39-R43 PolarHBondContact O-N 3.4Å; L39-R43 VanDerWaalsContact O-N 3.09Å; G40-R43 PolarHBondContact O-N 2.79Å; D41-R43 PolarHBondContact O-N 2.79Å; R43-F47 WeakPolarHBondContact O-CB 3.21Å; R43-F47 PolarHBondContact O-N 3.12Å |
| 44 | R | 85.3 | Confident | 78.4 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.7 | -76.6 | -176.7 | -86 | -97.8 | 7.8 | 111.1 | G40 D41 F47 R48 | G40-R44 WeakPolarHBondContact O-CG 3.36Å; G40-R44 PolarHBondContact O-N 2.98Å; D41-R44 VanDerWaalsContact CG-NH2 3.34Å; D41-R44 WeakPolarHBondContact O-CB 3.38Å; D41-R44 PolarHBondContact O-N 3.22Å; D41-R44 VanDerWaalsContact O-N 3.14Å; D41-R44 IonicContact OD1-CZ 2.67Å; D41-R44 IonicContact OD1-NE 2.67Å; D41-R44 PolarHBondContact OD1-NE 3.43Å; D41-R44 IonicContact OD1-NH2 2.65Å; D41-R44 PolarHBondContact OD1-NH2 2.82Å; D41-R44 IonicContact OD2-NH2 3.53Å; R44-F47 WeakPolarHBondContact O-CB 3.49Å; R44-F47 PolarHBondContact O-N 3.26Å; R44-R48 PolarHBondContact O-N 3.19Å |
| 45 | E | 82.3 | Confident | 79.2 | Confident | 59 Ų | 59 | 111.1 Ų | 111.1 | 28% | 0.276 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.7 | -36.4 | -178.5 | -168.5 | 57.2 | -161.1 | 0 | 0 | 112.7 | D41 F47 R48 L49 | D41-E45 PolarHBondContact O-N 3.28Å; E45-F47 VanDerWaalsContact C-N 3.28Å; E45-F47 PolarHBondContact O-N 2.85Å; E45-R48 VanDerWaalsContact CD-NE 3.34Å; E45-R48 PolarHBondContact O-N 3.44Å; E45-R48 IonicContact OE1-CZ 3.61Å; E45-R48 VanDerWaalsContact OE1-CZ 3.31Å; E45-R48 IonicContact OE1-NE 3.76Å; E45-R48 PolarHBondContact OE1-NE 3.04Å; E45-R48 VanDerWaalsContact OE1-NE 3.09Å; E45-R48 IonicContact OE1-NH2 2.66Å; E45-R48 PolarHBondContact OE1-NH2 2.93Å; E45-R48 WeakPolarHBondContact OE2-CD 3.49Å; E45-R48 IonicContact OE2-CZ 2.69Å; E45-R48 IonicContact OE2-NE 2.96Å; E45-R48 PolarHBondContact OE2-NE 3.47Å; E45-R48 IonicContact OE2-NH2 3.2Å; E45-L49 HydrophobicContact CG-CD1 4.37Å; E45-L49 WeakPolarHBondContact O-CB 3.4Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 3.18Å |
| 46 | N | 86 | Confident | 79.9 | Confident | 83 Ų | 83 | 111.6 Ų | 111.6 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 172.3 | -159 | -90.4 | 0 | 0 | 0 | 112 | M42 R50 | M42-N46 WeakPolarHBondContact O-CB 3.27Å; M42-N46 PolarHBondContact O-N 2.88Å; N46-R50 VanDerWaalsContact O-CG 3.29Å; N46-R50 WeakPolarHBondContact O-CG 3.41Å; N46-R50 PolarHBondContact O-N 3.49Å; N46-R50 VanDerWaalsContact O-N 3.12Å; N46-R50 PolarHBondContact OD1-NE 2.91Å |
| 47 | F | 86.7 | Confident | 80.3 | Confident | 140 Ų | 140 | 108.3 Ų | 108.3 | 61% | 0.614 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -45 | 173 | -178.4 | -96.1 | 0 | 0 | 0 | 111.7 | R43 R44 E45 L49 R50 L51 | R43-F47 WeakPolarHBondContact O-CB 3.21Å; R43-F47 PolarHBondContact O-N 3.12Å; R44-F47 WeakPolarHBondContact O-CB 3.49Å; R44-F47 PolarHBondContact O-N 3.26Å; E45-F47 VanDerWaalsContact C-N 3.28Å; E45-F47 PolarHBondContact O-N 2.85Å; F47-L49 PolarHBondContact O-N 3.03Å; F47-R50 PolarHBondContact O-N 2.88Å; F47-L51 PolarHBondContact O-N 3.36Å |
| 48 | R | 85.9 | Confident | 80.6 | Confident | 145 Ų | 145 | 109.7 Ų | 109.7 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.4 | -157.8 | -178.7 | 73.8 | 93.2 | 4.4 | 112.1 | R44 E45 L51 L52 | R44-R48 PolarHBondContact O-N 3.19Å; E45-R48 VanDerWaalsContact CD-NE 3.34Å; E45-R48 PolarHBondContact O-N 3.44Å; E45-R48 IonicContact OE1-CZ 3.61Å; E45-R48 VanDerWaalsContact OE1-CZ 3.31Å; E45-R48 IonicContact OE1-NE 3.76Å; E45-R48 PolarHBondContact OE1-NE 3.04Å; E45-R48 VanDerWaalsContact OE1-NE 3.09Å; E45-R48 IonicContact OE1-NH2 2.66Å; E45-R48 PolarHBondContact OE1-NH2 2.93Å; E45-R48 WeakPolarHBondContact OE2-CD 3.49Å; E45-R48 IonicContact OE2-CZ 2.69Å; E45-R48 IonicContact OE2-NE 2.96Å; E45-R48 PolarHBondContact OE2-NE 3.47Å; E45-R48 IonicContact OE2-NH2 3.2Å; R48-L51 PolarHBondContact O-N 3.48Å; R48-L52 PolarHBondContact O-N 2.64Å |
| 49 | L | 85.2 | Confident | 80.6 | Confident | 82 Ų | 82 | 110 Ų | 110 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 176 | -71.6 | 170.1 | 0 | 0 | 0 | 112.9 | E45 F47 L51 L52 L53 | E45-L49 HydrophobicContact CG-CD1 4.37Å; E45-L49 WeakPolarHBondContact O-CB 3.4Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 3.18Å; F47-L49 PolarHBondContact O-N 3.03Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-L52 PolarHBondContact O-N 2.66Å; L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.28Å |
| 50 | R | 85.1 | Confident | 80.3 | Confident | 172 Ų | 172 | 113.3 Ų | 113.3 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 173.5 | -74.1 | 171.1 | -175 | -117.2 | 0.1 | 112.1 | N46 F47 L53 Y54 | N46-R50 VanDerWaalsContact O-CG 3.29Å; N46-R50 WeakPolarHBondContact O-CG 3.41Å; N46-R50 PolarHBondContact O-N 3.49Å; N46-R50 VanDerWaalsContact O-N 3.12Å; N46-R50 PolarHBondContact OD1-NE 2.91Å; F47-R50 PolarHBondContact O-N 2.88Å; R50-L53 PolarHBondContact O-N 2.83Å; R50-Y54 WeakPolarHBondContact O-CB 3.42Å; R50-Y54 PolarHBondContact O-N 2.94Å |
| 51 | L | 83.3 | Confident | 79.7 | Confident | 88 Ų | 88 | 120.2 Ų | 120.2 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 177 | -157.3 | 77.9 | 0 | 0 | 0 | 111.4 | F47 R48 L49 Y54 N55 | F47-L51 PolarHBondContact O-N 3.36Å; R48-L51 PolarHBondContact O-N 3.48Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L51-Y54 PolarHBondContact O-N 3.11Å; L51-N55 WeakPolarHBondContact O-CB 3.39Å; L51-N55 VanDerWaalsContact O-CG 3.3Å; L51-N55 PolarHBondContact O-N 3.22Å |
| 52 | L | 81.5 | Confident | 78.8 | Confident | 111 Ų | 111 | 121.6 Ų | 121.6 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 174.7 | -164.2 | 78.7 | 0 | 0 | 0 | 111.6 | R48 L49 N55 Y56 | R48-L52 PolarHBondContact O-N 2.64Å; L49-L52 PolarHBondContact O-N 2.66Å; L52-N55 PolarHBondContact O-N 3.06Å; L52-Y56 WeakPolarHBondContact O-CB 3.23Å; L52-Y56 PolarHBondContact O-N 3.1Å |
| 53 | L | 79.7 | Confident | 77.7 | Confident | 123 Ų | 123 | 119.2 Ų | 119.2 | 64% | 0.644 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 175.8 | -78 | 166.2 | 0 | 0 | 0 | 112.4 | L49 R50 Y56 E57 | L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.28Å; R50-L53 PolarHBondContact O-N 2.83Å; L53-Y56 PolarHBondContact O-N 2.88Å; L53-E57 WeakPolarHBondContact O-CB 3.32Å; L53-E57 PolarHBondContact O-N 2.87Å |
| 54 | Y | 81.1 | Confident | 76.3 | Confident | 145 Ų | 145 | 115.6 Ų | 115.6 | 57% | 0.569 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 175.5 | 176.9 | -98.6 | 0 | 0 | 0 | 112.2 | R50 L51 E57 R58 | R50-Y54 WeakPolarHBondContact O-CB 3.42Å; R50-Y54 PolarHBondContact O-N 2.94Å; L51-Y54 PolarHBondContact O-N 3.11Å; Y54-E57 PolarHBondContact O-N 3.32Å; Y54-R58 VanDerWaalsContact O-CB 3.3Å; Y54-R58 WeakPolarHBondContact O-CB 3.45Å; Y54-R58 PolarHBondContact O-N 3.18Å |
| 55 | N | 77.5 | Confident | 74.7 | Confident | 79 Ų | 79 | 114.3 Ų | 114.3 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.4 | -72.2 | -14.4 | 0 | 0 | 0 | 111.9 | L51 L52 R58 T59 | L51-N55 WeakPolarHBondContact O-CB 3.39Å; L51-N55 VanDerWaalsContact O-CG 3.3Å; L51-N55 PolarHBondContact O-N 3.22Å; L52-N55 PolarHBondContact O-N 3.06Å; N55-R58 PolarHBondContact O-N 3.5Å; N55-T59 PolarHBondContact O-N 2.89Å; N55-T59 PolarHBondContact O-OG1 3.05Å |
| 56 | Y | 74.1 | Confident | 72.7 | Confident | 166 Ų | 166 | 116.7 Ų | 116.7 | 65% | 0.651 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -42.8 | 175.6 | -162.6 | -86.7 | 0 | 0 | 0 | 111.6 | L52 L53 R58 T59 Y60 | L52-Y56 WeakPolarHBondContact O-CB 3.23Å; L52-Y56 PolarHBondContact O-N 3.1Å; L53-Y56 PolarHBondContact O-N 2.88Å; Y56-R58 VanDerWaalsContact C-N 3.34Å; Y56-R58 PolarHBondContact O-N 3.38Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.43Å; Y56-T59 PolarHBondContact O-N 3.05Å; Y56-T59 PolarHBondContact O-OG1 3.36Å; Y56-T59 VanDerWaalsContact O-OG1 3.07Å; Y56-Y60 WeakPolarHBondContact O-CB 3.49Å; Y56-Y60 PolarHBondContact O-N 2.94Å |
| 57 | E | 75.8 | Confident | 70.6 | Confident | 92 Ų | 92 | 122.3 Ų | 122.3 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -38.2 | 174.7 | -166.6 | -174.2 | 165 | 0 | 0 | 111.6 | L53 Y54 Y60 R61 | L53-E57 WeakPolarHBondContact O-CB 3.32Å; L53-E57 PolarHBondContact O-N 2.87Å; Y54-E57 PolarHBondContact O-N 3.32Å; E57-Y60 PolarHBondContact O-N 3.44Å; E57-R61 HydrophobicContact CG-CG 4.48Å; E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 VanDerWaalsContact O-CG 3.31Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.23Å; E57-R61 IonicContact OE1-CZ 2.65Å; E57-R61 IonicContact OE1-NE 2.69Å; E57-R61 PolarHBondContact OE1-NE 2.9Å; E57-R61 IonicContact OE1-NH2 2.67Å; E57-R61 PolarHBondContact OE1-NH2 2.79Å |
| 58 | R | 74 | Confident | 68.9 | Low | 135 Ų | 135 | 121 Ų | 121 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.7 | -48.7 | 175.9 | -177.8 | 178.3 | 173.2 | 176.6 | -0.5 | 111.8 | Y54 N55 Y56 R61 Q62 | Y54-R58 VanDerWaalsContact O-CB 3.3Å; Y54-R58 WeakPolarHBondContact O-CB 3.45Å; Y54-R58 PolarHBondContact O-N 3.18Å; N55-R58 PolarHBondContact O-N 3.5Å; Y56-R58 VanDerWaalsContact C-N 3.34Å; Y56-R58 PolarHBondContact O-N 3.38Å; R58-R61 PolarHBondContact O-N 2.88Å; R58-Q62 WeakPolarHBondContact O-CG 3.18Å; R58-Q62 PolarHBondContact O-N 2.88Å |
| 59 | T | 70 | Confident | 67.5 | Low | 83 Ų | 83 | 120.3 Ų | 120.3 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.1 | -40.9 | 175.4 | 37.4 | 0 | 0 | 0 | 0 | 112 | N55 Y56 R61 Q62 A63 | N55-T59 PolarHBondContact O-N 2.89Å; N55-T59 PolarHBondContact O-OG1 3.05Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.43Å; Y56-T59 PolarHBondContact O-N 3.05Å; Y56-T59 PolarHBondContact O-OG1 3.36Å; Y56-T59 VanDerWaalsContact O-OG1 3.07Å; T59-R61 VanDerWaalsContact C-N 3.34Å; T59-R61 PolarHBondContact O-N 3.26Å; T59-Q62 PolarHBondContact O-N 2.83Å; T59-A63 WeakPolarHBondContact O-CB 3.33Å; T59-A63 PolarHBondContact O-N 3.19Å |
| 60 | Y | 70.5 | Confident | 66.3 | Low | 148 Ų | 148 | 120.9 Ų | 120.9 | 58% | 0.58 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -34.5 | 176.3 | -173.3 | -94.4 | 0 | 0 | 0 | 113.3 | Y56 E57 N64 | Y56-Y60 WeakPolarHBondContact O-CB 3.49Å; Y56-Y60 PolarHBondContact O-N 2.94Å; E57-Y60 PolarHBondContact O-N 3.44Å; Y60-N64 PolarHBondContact O-ND2 2.93Å |
| 61 | R | 68.5 | Low | 65.1 | Low | 164 Ų | 164 | 116 Ų | 116 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.1 | -42.6 | 171.3 | -74.3 | 179.1 | -175.5 | -121.8 | 9.5 | 111.6 | E57 R58 T59 A63 N64 | E57-R61 HydrophobicContact CG-CG 4.48Å; E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 VanDerWaalsContact O-CG 3.31Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.23Å; E57-R61 IonicContact OE1-CZ 2.65Å; E57-R61 IonicContact OE1-NE 2.69Å; E57-R61 PolarHBondContact OE1-NE 2.9Å; E57-R61 IonicContact OE1-NH2 2.67Å; E57-R61 PolarHBondContact OE1-NH2 2.79Å; R58-R61 PolarHBondContact O-N 2.88Å; T59-R61 VanDerWaalsContact C-N 3.34Å; T59-R61 PolarHBondContact O-N 3.26Å; R61-A63 VanDerWaalsContact C-N 3.29Å; R61-A63 PolarHBondContact O-N 3.4Å; R61-N64 PolarHBondContact O-N 2.88Å |
| 62 | Q | 58.8 | Low | 64.2 | Low | 101 Ų | 101 | 116 Ų | 116 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -35.5 | 176 | -79.6 | 177 | -84.7 | 0 | 0 | 112.5 | R58 T59 N64 | R58-Q62 WeakPolarHBondContact O-CG 3.18Å; R58-Q62 PolarHBondContact O-N 2.88Å; T59-Q62 PolarHBondContact O-N 2.83Å; Q62-N64 VanDerWaalsContact C-N 3.29Å; Q62-N64 PolarHBondContact O-N 3.35Å |
| 63 | A | 56.1 | Low | 63.7 | Low | 82 Ų | 82 | 117.6 Ų | 117.6 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -13.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T59 R61 | T59-A63 WeakPolarHBondContact O-CB 3.33Å; T59-A63 PolarHBondContact O-N 3.19Å; R61-A63 VanDerWaalsContact C-N 3.29Å; R61-A63 PolarHBondContact O-N 3.4Å |
| 64 | N | 54.9 | Low | 63.3 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 9.1 | -172.2 | -82.8 | -52 | 0 | 0 | 0 | 114.7 | Y60 R61 Q62 | Y60-N64 PolarHBondContact O-ND2 2.93Å; R61-N64 PolarHBondContact O-N 2.88Å; Q62-N64 VanDerWaalsContact C-N 3.29Å; Q62-N64 PolarHBondContact O-N 3.35Å |
| 65 | V | 51.7 | Low | 62.9 | Low | 99 Ų | 99 | 115.5 Ų | 115.5 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -97 | 120 | 173.9 | 178 | 0 | 0 | 0 | 0 | 109.6 | ||
| 66 | P | 39.3 | Very low | 62.8 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 71% | 0.708 | 58% | 0.575 | S | S | * | * | trans | -77.8 | 132.6 | -177.7 | 30.5 | -33.8 | 0 | 0 | 0 | 112.1 | ||||
| 67 | Q | 42 | Very low | 62.9 | Low | 201 Ų | 201 | 108.3 Ų | 108.3 | 94% | 0.939 | 56% | 0.561 | S | S | * | * | trans | 40.5 | 85.7 | 159.3 | -68 | -178.7 | -31.4 | 0 | 0 | 116.5 | ||||
| 68 | D | 51.8 | Low | 62.9 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 60% | 0.599 | 56% | 0.561 | S | S | * | * | trans | -133.7 | 143.2 | 159.7 | -147.5 | -19.9 | 0 | 0 | 0 | 111.4 | E70 S71 | D68-E70 PolarHBondContact O-N 3.21Å; D68-E70 VanDerWaalsContact O-N 3.15Å; D68-S71 PolarHBondContact O-N 2.99Å; D68-S71 VanDerWaalsContact O-N 3.08Å | ||
| 69 | L | 57.6 | Low | 63 | Low | 132 Ų | 132 | 104.4 Ų | 104.4 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.9 | -31 | -172.3 | -157.5 | 81.5 | 0 | 0 | 0 | 111.3 | S71 S72 R73 | L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.29Å; L69-S72 PolarHBondContact O-N 3.36Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.39Å; L69-R73 VanDerWaalsContact O-N 3.1Å |
| 70 | E | 58.9 | Low | 63.6 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -31.8 | -180 | -150.6 | 66.4 | 179.9 | 0 | 0 | 112.8 | D68 S72 R73 I74 | D68-E70 PolarHBondContact O-N 3.21Å; D68-E70 VanDerWaalsContact O-N 3.15Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-S72 PolarHBondContact O-N 3.37Å; E70-R73 PolarHBondContact O-N 2.94Å; E70-R73 IonicContact OE1-NH1 3.95Å; E70-R73 PolarHBondContact OE1-NH1 2.76Å; E70-R73 IonicContact OE2-CZ 3.2Å; E70-R73 IonicContact OE2-NH1 2.89Å; E70-R73 PolarHBondContact OE2-NH1 3.02Å; E70-I74 HydrophobicContact CG-CD1 4.22Å; E70-I74 WeakPolarHBondContact O-CB 3.3Å; E70-I74 VanDerWaalsContact O-CG1 3.24Å; E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 2.95Å |
| 71 | S | 59 | Low | 64.1 | Low | 70 Ų | 70 | 103.4 Ų | 103.4 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -35.1 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | D68 L69 F75 | D68-S71 PolarHBondContact O-N 2.99Å; D68-S71 VanDerWaalsContact O-N 3.08Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.29Å; S71-F75 WeakPolarHBondContact O-CB 3.49Å; S71-F75 PolarHBondContact O-N 3.34Å |
| 72 | S | 65.5 | Low | 64.8 | Low | 87 Ų | 87 | 100.1 Ų | 100.1 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.7 | -36.2 | 173.8 | -62 | 0 | 0 | 0 | 0 | 111.8 | L69 E70 A76 | L69-S72 PolarHBondContact O-N 3.36Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-S72 PolarHBondContact O-N 3.37Å; S72-A76 WeakPolarHBondContact O-CB 3.26Å; S72-A76 PolarHBondContact O-N 3.23Å |
| 73 | R | 71.2 | Confident | 66 | Low | 145 Ų | 145 | 100.6 Ų | 100.6 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.8 | -40.6 | 174.4 | -68.3 | 176.3 | 69.5 | -137.8 | -1.1 | 112.3 | L69 E70 A76 A77 | L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.39Å; L69-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 PolarHBondContact O-N 2.94Å; E70-R73 IonicContact OE1-NH1 3.95Å; E70-R73 PolarHBondContact OE1-NH1 2.76Å; E70-R73 IonicContact OE2-CZ 3.2Å; E70-R73 IonicContact OE2-NH1 2.89Å; E70-R73 PolarHBondContact OE2-NH1 3.02Å; R73-A76 PolarHBondContact O-N 2.91Å; R73-A77 VanDerWaalsContact O-CB 3.32Å; R73-A77 WeakPolarHBondContact O-CB 3.46Å; R73-A77 PolarHBondContact O-N 2.9Å |
| 74 | I | 70.8 | Confident | 67.3 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 174.6 | -69.7 | 165.4 | 0 | 0 | 0 | 110.1 | E70 A76 A77 E78 | E70-I74 HydrophobicContact CG-CD1 4.22Å; E70-I74 WeakPolarHBondContact O-CB 3.3Å; E70-I74 VanDerWaalsContact O-CG1 3.24Å; E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 2.95Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 3.35Å; I74-A77 CarbonylContact O-C 3.6Å; I74-A77 PolarHBondContact O-N 3.33Å; I74-E78 HydrophobicContact CG2-CG 4.17Å; I74-E78 VanDerWaalsContact O-CB 3.32Å; I74-E78 WeakPolarHBondContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CG 3.4Å; I74-E78 PolarHBondContact O-N 3.49Å |
| 75 | F | 72.1 | Confident | 68.8 | Low | 149 Ų | 149 | 102.7 Ų | 102.7 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 176.9 | -171.6 | -95.4 | 0 | 0 | 0 | 112.3 | S71 E78 S79 | S71-F75 WeakPolarHBondContact O-CB 3.49Å; S71-F75 PolarHBondContact O-N 3.34Å; F75-E78 PolarHBondContact O-N 3.46Å; F75-S79 WeakPolarHBondContact O-CB 3.4Å; F75-S79 PolarHBondContact O-N 3.49Å; F75-S79 PolarHBondContact O-OG 2.88Å |
| 76 | A | 75.8 | Confident | 70.3 | Confident | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | S72 R73 I74 E78 S79 E80 | S72-A76 WeakPolarHBondContact O-CB 3.26Å; S72-A76 PolarHBondContact O-N 3.23Å; R73-A76 PolarHBondContact O-N 2.91Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 3.35Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-E78 PolarHBondContact O-N 2.93Å; A76-S79 PolarHBondContact O-N 3.01Å; A76-S79 PolarHBondContact O-OG 3.4Å; A76-E80 WeakPolarHBondContact O-CB 3.1Å; A76-E80 PolarHBondContact O-N 2.93Å |
| 77 | A | 76.1 | Confident | 72.5 | Confident | 44 Ų | 44 | 100.1 Ų | 100.1 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -27.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R73 I74 N81 | R73-A77 VanDerWaalsContact O-CB 3.32Å; R73-A77 WeakPolarHBondContact O-CB 3.46Å; R73-A77 PolarHBondContact O-N 2.9Å; I74-A77 CarbonylContact O-C 3.6Å; I74-A77 PolarHBondContact O-N 3.33Å; A77-N81 WeakPolarHBondContact O-CB 3.32Å; A77-N81 PolarHBondContact O-N 3.48Å; A77-N81 PolarHBondContact O-ND2 2.9Å |
| 78 | E | 76.1 | Confident | 74.5 | Confident | 93 Ų | 93 | 95.7 Ų | 95.7 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.9 | -42 | 171 | -77.5 | 179.6 | 166.9 | 0 | 0 | 110.6 | I74 F75 A76 N81 I82 | I74-E78 HydrophobicContact CG2-CG 4.17Å; I74-E78 VanDerWaalsContact O-CB 3.32Å; I74-E78 WeakPolarHBondContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CG 3.4Å; I74-E78 PolarHBondContact O-N 3.49Å; F75-E78 PolarHBondContact O-N 3.46Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-E78 PolarHBondContact O-N 2.93Å; E78-N81 PolarHBondContact O-N 3.05Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.33Å |
| 79 | S | 76.6 | Confident | 76 | Confident | 51 Ų | 51 | 93.5 Ų | 93.5 | 36% | 0.357 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 173.4 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | F75 A76 I82 L83 | F75-S79 WeakPolarHBondContact O-CB 3.4Å; F75-S79 PolarHBondContact O-N 3.49Å; F75-S79 PolarHBondContact O-OG 2.88Å; A76-S79 PolarHBondContact O-N 3.01Å; A76-S79 PolarHBondContact O-OG 3.4Å; S79-I82 PolarHBondContact O-N 3.25Å; S79-L83 WeakPolarHBondContact O-CG 3.43Å; S79-L83 PolarHBondContact O-N 3.48Å |
| 80 | E | 82.1 | Confident | 77.3 | Confident | 121 Ų | 121 | 93.1 Ų | 93.1 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 173.1 | -171.1 | 177.4 | -167.2 | 0 | 0 | 111.2 | A76 I82 L83 L84 | A76-E80 WeakPolarHBondContact O-CB 3.1Å; A76-E80 PolarHBondContact O-N 2.93Å; E80-I82 VanDerWaalsContact C-N 3.32Å; E80-I82 PolarHBondContact O-N 3.25Å; E80-L83 PolarHBondContact O-N 2.86Å; E80-L84 HydrophobicContact CG-CD1 4.16Å; E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.24Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.31Å |
| 81 | N | 82 | Confident | 78.6 | Confident | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 172.1 | -105.9 | -89 | 0 | 0 | 0 | 113.3 | A77 E78 K85 | A77-N81 WeakPolarHBondContact O-CB 3.32Å; A77-N81 PolarHBondContact O-N 3.48Å; A77-N81 PolarHBondContact O-ND2 2.9Å; E78-N81 PolarHBondContact O-N 3.05Å; N81-K85 WeakPolarHBondContact O-CB 3.42Å; N81-K85 VanDerWaalsContact O-CG 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.3Å; N81-K85 PolarHBondContact O-N 3.25Å |
| 82 | I | 83.2 | Confident | 79.9 | Confident | 95 Ų | 95 | 96.8 Ų | 96.8 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -49.6 | 175.1 | -70.7 | 163.2 | 0 | 0 | 0 | 109.2 | E78 S79 E80 L84 K85 E86 | E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.33Å; S79-I82 PolarHBondContact O-N 3.25Å; E80-I82 VanDerWaalsContact C-N 3.32Å; E80-I82 PolarHBondContact O-N 3.25Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.5Å; I82-K85 WeakPolarHBondContact O-CB 3.38Å; I82-K85 PolarHBondContact O-N 2.94Å; I82-E86 PolarHBondContact O-N 2.84Å |
| 83 | L | 82.3 | Confident | 80.9 | Confident | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.4 | -39.9 | 175.7 | -70.1 | 170.1 | 0 | 0 | 0 | 112.6 | S79 E80 E86 A87 | S79-L83 WeakPolarHBondContact O-CG 3.43Å; S79-L83 PolarHBondContact O-N 3.48Å; E80-L83 PolarHBondContact O-N 2.86Å; L83-E86 PolarHBondContact O-N 3.34Å; L83-A87 VanDerWaalsContact O-CB 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 3.01Å |
| 84 | L | 84.8 | Confident | 81.4 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -33.9 | 174.6 | -74.2 | 170.7 | 0 | 0 | 0 | 112.5 | E80 I82 L88 | E80-L84 HydrophobicContact CG-CD1 4.16Å; E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.24Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.31Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.5Å; L84-L88 VanDerWaalsContact O-CB 3.26Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.22Å |
| 85 | K | 86.4 | Confident | 82.1 | Confident | 137 Ų | 137 | 96.9 Ų | 96.9 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.8 | -39.4 | 173.6 | -79.4 | 172.1 | -177.2 | 175.1 | 0 | 112.3 | N81 I82 L88 S89 | N81-K85 WeakPolarHBondContact O-CB 3.42Å; N81-K85 VanDerWaalsContact O-CG 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.3Å; N81-K85 PolarHBondContact O-N 3.25Å; I82-K85 WeakPolarHBondContact O-CB 3.38Å; I82-K85 PolarHBondContact O-N 2.94Å; K85-L88 PolarHBondContact O-N 3.43Å; K85-S89 WeakPolarHBondContact O-CB 3.27Å; K85-S89 PolarHBondContact O-N 2.99Å; K85-S89 PolarHBondContact O-OG 3.49Å |
| 86 | E | 83.9 | Confident | 82.7 | Confident | 111 Ų | 111 | 94.9 Ų | 94.9 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 172.7 | -73.5 | 176.6 | 170.9 | 0 | 0 | 109.8 | I82 L83 L88 S89 E90 | I82-E86 PolarHBondContact O-N 2.84Å; L83-E86 PolarHBondContact O-N 3.34Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.87Å; E86-S89 PolarHBondContact O-N 2.91Å; E86-S89 VanDerWaalsContact O-N 3.08Å; E86-S89 PolarHBondContact O-OG 3.19Å; E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 2.91Å |
| 87 | A | 84 | Confident | 83.1 | Confident | 43 Ų | 43 | 99 Ų | 99 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -32.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | L83 K91 | L83-A87 VanDerWaalsContact O-CB 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 3.01Å; A87-K91 WeakPolarHBondContact O-CB 3.36Å; A87-K91 WeakPolarHBondContact O-CG 3.34Å; A87-K91 PolarHBondContact O-N 3.43Å |
| 88 | L | 83.9 | Confident | 83.5 | Confident | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 171.1 | -79.9 | 169.6 | 0 | 0 | 0 | 111.6 | L84 K85 E86 K91 D92 | L84-L88 VanDerWaalsContact O-CB 3.26Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.22Å; K85-L88 PolarHBondContact O-N 3.43Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.87Å; L88-K91 PolarHBondContact O-N 3.1Å; L88-D92 PolarHBondContact O-N 2.97Å |
| 89 | S | 84.1 | Confident | 83.9 | Confident | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 176 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | K85 E86 D92 T93 | K85-S89 WeakPolarHBondContact O-CB 3.27Å; K85-S89 PolarHBondContact O-N 2.99Å; K85-S89 PolarHBondContact O-OG 3.49Å; E86-S89 PolarHBondContact O-N 2.91Å; E86-S89 VanDerWaalsContact O-N 3.08Å; E86-S89 PolarHBondContact O-OG 3.19Å; S89-D92 PolarHBondContact O-N 3.36Å; S89-T93 WeakPolarHBondContact O-CG2 3.33Å; S89-T93 PolarHBondContact O-N 3.31Å |
| 90 | E | 84 | Confident | 84.4 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 172.8 | -172.5 | 179.8 | -169.8 | 0 | 0 | 110.4 | E86 D92 T93 L94 | E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 2.91Å; E90-D92 PolarHBondContact O-N 3.45Å; E90-T93 PolarHBondContact O-N 3.43Å; E90-T93 VanDerWaalsContact O-N 3.11Å; E90-T93 PolarHBondContact O-OG1 3.47Å; E90-L94 HydrophobicContact CG-CD1 4.39Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 2.81Å |
| 91 | K | 86.2 | Confident | 84.5 | Confident | 144 Ų | 144 | 100 Ų | 100 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -39.8 | 173.4 | -80.3 | -178.6 | 176.2 | -179.9 | 0 | 113.2 | A87 L88 L94 L95 | A87-K91 WeakPolarHBondContact O-CB 3.36Å; A87-K91 WeakPolarHBondContact O-CG 3.34Å; A87-K91 PolarHBondContact O-N 3.43Å; L88-K91 PolarHBondContact O-N 3.1Å; K91-L94 PolarHBondContact O-N 3.21Å; K91-L95 VanDerWaalsContact O-CB 3.25Å; K91-L95 WeakPolarHBondContact O-CB 3.48Å; K91-L95 PolarHBondContact O-N 3.24Å |
| 92 | D | 87.2 | Confident | 84.7 | Confident | 98 Ų | 98 | 99.5 Ų | 99.5 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 173.6 | -84.3 | -17.2 | 0 | 0 | 0 | 111.3 | L88 S89 E90 L95 N96 | L88-D92 PolarHBondContact O-N 2.97Å; S89-D92 PolarHBondContact O-N 3.36Å; E90-D92 PolarHBondContact O-N 3.45Å; D92-L95 PolarHBondContact O-N 3.5Å; D92-N96 VanDerWaalsContact O-CB 3.32Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 VanDerWaalsContact O-CG 3.32Å; D92-N96 PolarHBondContact O-N 2.99Å; D92-N96 PolarHBondContact O-ND2 2.77Å |
| 93 | T | 85.5 | Confident | 84.8 | Confident | 90 Ų | 90 | 99.3 Ų | 99.3 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 173.3 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | S89 E90 N96 F97 | S89-T93 WeakPolarHBondContact O-CG2 3.33Å; S89-T93 PolarHBondContact O-N 3.31Å; E90-T93 PolarHBondContact O-N 3.43Å; E90-T93 VanDerWaalsContact O-N 3.11Å; E90-T93 PolarHBondContact O-OG1 3.47Å; T93-N96 PolarHBondContact O-N 2.95Å; T93-F97 WeakPolarHBondContact O-CB 3.49Å; T93-F97 PolarHBondContact O-N 3.02Å |
| 94 | L | 83.5 | Confident | 84.9 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 175.1 | -71.7 | 171.2 | 0 | 0 | 0 | 112.2 | E90 K91 F97 S98 | E90-L94 HydrophobicContact CG-CD1 4.39Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 2.81Å; K91-L94 PolarHBondContact O-N 3.21Å; L94-F97 PolarHBondContact O-N 2.86Å; L94-S98 VanDerWaalsContact O-CB 3.25Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.22Å |
| 95 | L | 84.8 | Confident | 84.9 | Confident | 118 Ų | 118 | 98.8 Ų | 98.8 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.2 | -37.2 | 177.4 | -163.2 | 128.3 | 0 | 0 | 0 | 111.5 | K91 D92 S98 S99 | K91-L95 VanDerWaalsContact O-CB 3.25Å; K91-L95 WeakPolarHBondContact O-CB 3.48Å; K91-L95 PolarHBondContact O-N 3.24Å; D92-L95 PolarHBondContact O-N 3.5Å; L95-S98 PolarHBondContact O-N 2.83Å; L95-S99 WeakPolarHBondContact O-CB 3.3Å; L95-S99 PolarHBondContact O-N 3.49Å |
| 96 | N | 84.8 | Confident | 84.8 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -40.5 | 170.3 | -77.7 | -56.5 | 0 | 0 | 0 | 112.2 | D92 T93 S99 K100 | D92-N96 VanDerWaalsContact O-CB 3.32Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 VanDerWaalsContact O-CG 3.32Å; D92-N96 PolarHBondContact O-N 2.99Å; D92-N96 PolarHBondContact O-ND2 2.77Å; T93-N96 PolarHBondContact O-N 2.95Å; N96-S99 PolarHBondContact O-N 2.85Å; N96-K100 WeakPolarHBondContact O-CB 3.49Å; N96-K100 PolarHBondContact O-N 3.37Å |
| 97 | F | 84.4 | Confident | 84.9 | Confident | 136 Ų | 136 | 100.1 Ų | 100.1 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -45.4 | 173.5 | -177.5 | -94 | 0 | 0 | 0 | 111.2 | T93 L94 S99 K100 M101 | T93-F97 WeakPolarHBondContact O-CB 3.49Å; T93-F97 PolarHBondContact O-N 3.02Å; L94-F97 PolarHBondContact O-N 2.86Å; F97-S99 PolarHBondContact O-N 3.38Å; F97-K100 PolarHBondContact O-N 3.13Å; F97-M101 HydrophobicContact CE1-SD 4.49Å; F97-M101 WeakPolarHBondContact O-CB 3.32Å; F97-M101 PolarHBondContact O-N 2.75Å |
| 98 | S | 83.6 | Confident | 84.9 | Confident | 50 Ų | 50 | 103.6 Ų | 103.6 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 112.2 | L94 L95 M101 N102 | L94-S98 VanDerWaalsContact O-CB 3.25Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.22Å; L95-S98 PolarHBondContact O-N 2.83Å; S98-M101 PolarHBondContact O-N 3.25Å; S98-N102 WeakPolarHBondContact O-CB 3.47Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 PolarHBondContact O-ND2 3.25Å |
| 99 | S | 85.5 | Confident | 84.9 | Confident | 58 Ų | 58 | 102.9 Ų | 102.9 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 173.1 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | L95 N96 F97 M101 N102 D103 | L95-S99 WeakPolarHBondContact O-CB 3.3Å; L95-S99 PolarHBondContact O-N 3.49Å; N96-S99 PolarHBondContact O-N 2.85Å; F97-S99 PolarHBondContact O-N 3.38Å; S99-M101 VanDerWaalsContact C-N 3.32Å; S99-M101 PolarHBondContact O-N 3.35Å; S99-N102 CarbonylContact O-C 3.6Å; S99-N102 WeakPolarHBondContact O-CB 3.44Å; S99-N102 PolarHBondContact O-N 3.41Å; S99-N102 VanDerWaalsContact O-N 3.14Å; S99-D103 PolarHBondContact O-N 3.48Å |
| 100 | K | 86.9 | Confident | 85 | Confident | 138 Ų | 138 | 104 Ų | 104 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -39 | 178.1 | -172.5 | 178.2 | 180 | -177.1 | 0 | 112.3 | N96 F97 D103 Q104 | N96-K100 WeakPolarHBondContact O-CB 3.49Å; N96-K100 PolarHBondContact O-N 3.37Å; F97-K100 PolarHBondContact O-N 3.13Å; K100-D103 PolarHBondContact O-N 3.11Å; K100-Q104 WeakPolarHBondContact O-CG 3.32Å; K100-Q104 PolarHBondContact O-N 2.8Å |
| 101 | M | 83.8 | Confident | 85.1 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 174.4 | -171.9 | 175.4 | 66.6 | 0 | 0 | 111.8 | F97 S98 S99 D103 Q104 L105 | F97-M101 HydrophobicContact CE1-SD 4.49Å; F97-M101 WeakPolarHBondContact O-CB 3.32Å; F97-M101 PolarHBondContact O-N 2.75Å; S98-M101 PolarHBondContact O-N 3.25Å; S99-M101 VanDerWaalsContact C-N 3.32Å; S99-M101 PolarHBondContact O-N 3.35Å; M101-D103 VanDerWaalsContact C-N 3.34Å; M101-D103 PolarHBondContact O-N 2.97Å; M101-Q104 PolarHBondContact O-N 2.79Å; M101-L105 HydrophobicContact CG-CD1 4.43Å; M101-L105 WeakPolarHBondContact O-CB 3.26Å; M101-L105 WeakPolarHBondContact O-CG 3.24Å; M101-L105 PolarHBondContact O-N 2.8Å |
| 102 | N | 85 | Confident | 84.7 | Confident | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 173 | -83.2 | -57.6 | 0 | 0 | 0 | 112.4 | S98 S99 L105 R106 | S98-N102 WeakPolarHBondContact O-CB 3.47Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 PolarHBondContact O-ND2 3.25Å; S99-N102 CarbonylContact O-C 3.6Å; S99-N102 WeakPolarHBondContact O-CB 3.44Å; S99-N102 PolarHBondContact O-N 3.41Å; S99-N102 VanDerWaalsContact O-N 3.14Å; N102-L105 PolarHBondContact O-N 2.87Å; N102-R106 WeakPolarHBondContact O-CB 3.42Å; N102-R106 VanDerWaalsContact O-CG 3.26Å; N102-R106 WeakPolarHBondContact O-CG 3.16Å; N102-R106 PolarHBondContact O-N 3.46Å |
| 103 | D | 86.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 174.6 | -67.3 | -32.6 | 0 | 0 | 0 | 111.4 | S99 K100 M101 R106 E107 | S99-D103 PolarHBondContact O-N 3.48Å; K100-D103 PolarHBondContact O-N 3.11Å; M101-D103 VanDerWaalsContact C-N 3.34Å; M101-D103 PolarHBondContact O-N 2.97Å; D103-R106 PolarHBondContact O-N 3.17Å; D103-E107 PolarHBondContact O-N 3.41Å |
| 104 | Q | 84.2 | Confident | 84.6 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 170.8 | -74.9 | 176.5 | -31.5 | 0 | 0 | 112.6 | K100 M101 E107 Q108 | K100-Q104 WeakPolarHBondContact O-CG 3.32Å; K100-Q104 PolarHBondContact O-N 2.8Å; M101-Q104 PolarHBondContact O-N 2.79Å; Q104-E107 PolarHBondContact O-N 3.41Å; Q104-Q108 WeakPolarHBondContact O-CG 3.4Å; Q104-Q108 PolarHBondContact O-N 2.64Å |
| 105 | L | 84.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 42% | 0.419 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 175.7 | -73.3 | 170.7 | 0 | 0 | 0 | 112 | M101 N102 E107 Q108 I109 | M101-L105 HydrophobicContact CG-CD1 4.43Å; M101-L105 WeakPolarHBondContact O-CB 3.26Å; M101-L105 WeakPolarHBondContact O-CG 3.24Å; M101-L105 PolarHBondContact O-N 2.8Å; N102-L105 PolarHBondContact O-N 2.87Å; L105-E107 VanDerWaalsContact C-N 3.33Å; L105-Q108 PolarHBondContact O-N 3.09Å; L105-I109 WeakPolarHBondContact O-CB 3.39Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.01Å |
| 106 | R | 85.1 | Confident | 84.4 | Confident | 167 Ų | 167 | 102.4 Ų | 102.4 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 172.8 | -76.9 | 168.3 | -179.5 | -94.5 | 3.8 | 111.5 | N102 D103 I109 N110 | N102-R106 WeakPolarHBondContact O-CB 3.42Å; N102-R106 VanDerWaalsContact O-CG 3.26Å; N102-R106 WeakPolarHBondContact O-CG 3.16Å; N102-R106 PolarHBondContact O-N 3.46Å; D103-R106 PolarHBondContact O-N 3.17Å; R106-I109 PolarHBondContact O-N 2.9Å; R106-N110 VanDerWaalsContact O-CG 3.27Å; R106-N110 PolarHBondContact O-N 2.9Å; R106-N110 PolarHBondContact O-ND2 2.9Å |
| 107 | E | 86.5 | Confident | 84.3 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 177 | -169.5 | 64.7 | 178.4 | 0 | 0 | 111.9 | D103 Q104 L105 I109 N110 I111 | D103-E107 PolarHBondContact O-N 3.41Å; Q104-E107 PolarHBondContact O-N 3.41Å; L105-E107 VanDerWaalsContact C-N 3.33Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.27Å; E107-N110 PolarHBondContact O-N 2.84Å; E107-I111 HydrophobicContact CG-CD1 4.15Å; E107-I111 WeakPolarHBondContact O-CG1 3.32Å; E107-I111 PolarHBondContact O-N 3.46Å |
| 108 | Q | 82.9 | Confident | 84.3 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 172 | -71.9 | -177.8 | 18.2 | 0 | 0 | 112.4 | Q104 L105 I111 L112 | Q104-Q108 WeakPolarHBondContact O-CG 3.4Å; Q104-Q108 PolarHBondContact O-N 2.64Å; L105-Q108 PolarHBondContact O-N 3.09Å; Q108-I111 PolarHBondContact O-N 3.4Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 VanDerWaalsContact O-CG 3.27Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 3.49Å |
| 109 | I | 84.7 | Confident | 84.2 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.8 | -71.6 | 165.6 | 0 | 0 | 0 | 111.4 | L105 R106 E107 L112 K113 | L105-I109 WeakPolarHBondContact O-CB 3.39Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.01Å; R106-I109 PolarHBondContact O-N 2.9Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.27Å; I109-L112 PolarHBondContact O-N 2.9Å; I109-K113 HydrophobicContact CG2-CD 4.43Å; I109-K113 WeakPolarHBondContact O-CB 3.45Å; I109-K113 WeakPolarHBondContact O-CG 3.39Å; I109-K113 PolarHBondContact O-N 3.18Å |
| 110 | N | 85.1 | Confident | 84 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.2 | -69.5 | -23.8 | 0 | 0 | 0 | 111.3 | R106 E107 L112 K113 E114 | R106-N110 VanDerWaalsContact O-CG 3.27Å; R106-N110 PolarHBondContact O-N 2.9Å; R106-N110 PolarHBondContact O-ND2 2.9Å; E107-N110 PolarHBondContact O-N 2.84Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-L112 PolarHBondContact O-N 2.88Å; N110-K113 PolarHBondContact O-N 2.76Å; N110-E114 PolarHBondContact O-N 2.98Å |
| 111 | I | 85.7 | Confident | 83.8 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.6 | -66.6 | 164.1 | 0 | 0 | 0 | 111.1 | E107 Q108 E114 K115 | E107-I111 HydrophobicContact CG-CD1 4.15Å; E107-I111 WeakPolarHBondContact O-CG1 3.32Å; E107-I111 PolarHBondContact O-N 3.46Å; Q108-I111 PolarHBondContact O-N 3.4Å; I111-E114 PolarHBondContact O-N 2.9Å; I111-K115 HydrophobicContact CG2-CD 4.4Å; I111-K115 WeakPolarHBondContact O-CB 3.47Å; I111-K115 WeakPolarHBondContact O-CG 3.39Å; I111-K115 PolarHBondContact O-N 3.4Å |
| 112 | L | 78.5 | Confident | 83.6 | Confident | 111 Ų | 111 | 96.3 Ų | 96.3 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.4 | -37 | 176 | -74.8 | 170.5 | 0 | 0 | 0 | 112.4 | Q108 I109 N110 K115 S116 | Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 VanDerWaalsContact O-CG 3.27Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 3.49Å; I109-L112 PolarHBondContact O-N 2.9Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-L112 PolarHBondContact O-N 2.88Å; L112-K115 PolarHBondContact O-N 3.06Å; L112-S116 WeakPolarHBondContact O-CB 3.46Å; L112-S116 PolarHBondContact O-N 3.36Å |
| 113 | K | 85.4 | Confident | 83.1 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 171.9 | -77 | -177.7 | 175.4 | -169.1 | 0 | 111.6 | I109 N110 K115 S116 D117 | I109-K113 HydrophobicContact CG2-CD 4.43Å; I109-K113 WeakPolarHBondContact O-CB 3.45Å; I109-K113 WeakPolarHBondContact O-CG 3.39Å; I109-K113 PolarHBondContact O-N 3.18Å; N110-K113 PolarHBondContact O-N 2.76Å; K113-K115 VanDerWaalsContact C-N 3.32Å; K113-K115 PolarHBondContact O-N 3.02Å; K113-S116 WeakPolarHBondContact O-CB 3.49Å; K113-S116 PolarHBondContact O-N 2.78Å; K113-S116 VanDerWaalsContact O-N 3.1Å; K113-D117 PolarHBondContact O-N 3.36Å |
| 114 | E | 84.7 | Confident | 82.9 | Confident | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.7 | -39.4 | 176.3 | -174.9 | 175 | -169.1 | 0 | 0 | 111.8 | N110 I111 N118 | N110-E114 PolarHBondContact O-N 2.98Å; I111-E114 PolarHBondContact O-N 2.9Å; E114-N118 VanDerWaalsContact O-CB 3.32Å; E114-N118 WeakPolarHBondContact O-CB 3.22Å; E114-N118 VanDerWaalsContact O-CG 3.25Å; E114-N118 PolarHBondContact O-N 3.13Å; E114-N118 PolarHBondContact O-ND2 3.3Å |
| 115 | K | 84.5 | Confident | 82.8 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 55% | 0.548 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 171.4 | -76 | -179.4 | 178 | -172.2 | 0 | 112.2 | I111 L112 K113 N118 I119 | I111-K115 HydrophobicContact CG2-CD 4.4Å; I111-K115 WeakPolarHBondContact O-CB 3.47Å; I111-K115 WeakPolarHBondContact O-CG 3.39Å; I111-K115 PolarHBondContact O-N 3.4Å; L112-K115 PolarHBondContact O-N 3.06Å; K113-K115 VanDerWaalsContact C-N 3.32Å; K113-K115 PolarHBondContact O-N 3.02Å; K115-N118 PolarHBondContact O-N 2.78Å; K115-I119 WeakPolarHBondContact O-CB 3.47Å; K115-I119 VanDerWaalsContact O-CG1 3.25Å; K115-I119 WeakPolarHBondContact O-CG1 3.38Å; K115-I119 PolarHBondContact O-N 3.41Å |
| 116 | S | 80.9 | Confident | 82.6 | Confident | 72 Ų | 72 | 99.9 Ų | 99.9 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 112 | L112 K113 N118 I119 E120 | L112-S116 WeakPolarHBondContact O-CB 3.46Å; L112-S116 PolarHBondContact O-N 3.36Å; K113-S116 WeakPolarHBondContact O-CB 3.49Å; K113-S116 PolarHBondContact O-N 2.78Å; K113-S116 VanDerWaalsContact O-N 3.1Å; S116-N118 VanDerWaalsContact C-N 3.33Å; S116-N118 PolarHBondContact O-N 3.39Å; S116-I119 PolarHBondContact O-N 3.07Å; S116-E120 PolarHBondContact O-N 3.02Å |
| 117 | D | 83.1 | Confident | 82.4 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 178.3 | -70.3 | -7.3 | 0 | 0 | 0 | 111.3 | K113 E120 N121 | K113-D117 PolarHBondContact O-N 3.36Å; D117-E120 PolarHBondContact O-N 3.39Å; D117-N121 WeakPolarHBondContact O-CB 3.31Å; D117-N121 PolarHBondContact O-N 3.17Å; D117-N121 PolarHBondContact O-ND2 2.8Å |
| 118 | N | 84.1 | Confident | 82.1 | Confident | 66 Ų | 66 | 98.7 Ų | 98.7 | 35% | 0.353 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.6 | -77.5 | -38.7 | 0 | 0 | 0 | 112.1 | E114 K115 S116 N121 D122 | E114-N118 VanDerWaalsContact O-CB 3.32Å; E114-N118 WeakPolarHBondContact O-CB 3.22Å; E114-N118 VanDerWaalsContact O-CG 3.25Å; E114-N118 PolarHBondContact O-N 3.13Å; E114-N118 PolarHBondContact O-ND2 3.3Å; K115-N118 PolarHBondContact O-N 2.78Å; S116-N118 VanDerWaalsContact C-N 3.33Å; S116-N118 PolarHBondContact O-N 3.39Å; N118-N121 PolarHBondContact O-N 2.92Å; N118-D122 WeakPolarHBondContact O-CB 3.47Å; N118-D122 PolarHBondContact O-N 3.25Å |
| 119 | I | 80.5 | Confident | 81.9 | Confident | 97 Ų | 97 | 94.6 Ų | 94.6 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 174.5 | -71.3 | 165.9 | 0 | 0 | 0 | 110.8 | K115 S116 N121 D122 W123 | K115-I119 WeakPolarHBondContact O-CB 3.47Å; K115-I119 VanDerWaalsContact O-CG1 3.25Å; K115-I119 WeakPolarHBondContact O-CG1 3.38Å; K115-I119 PolarHBondContact O-N 3.41Å; S116-I119 PolarHBondContact O-N 3.07Å; I119-N121 VanDerWaalsContact C-N 3.35Å; I119-N121 PolarHBondContact O-N 3.46Å; I119-D122 PolarHBondContact O-N 3.39Å; I119-W123 PolarHBondContact O-N 2.86Å |
| 120 | E | 81 | Confident | 81.5 | Confident | 93 Ų | 93 | 95.2 Ų | 95.2 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.9 | -156.8 | -156.5 | 148.7 | 0 | 0 | 111.7 | S116 D117 D122 W123 R124 | S116-E120 PolarHBondContact O-N 3.02Å; D117-E120 PolarHBondContact O-N 3.39Å; E120-D122 VanDerWaalsContact C-N 3.33Å; E120-D122 PolarHBondContact O-N 2.7Å; E120-W123 PolarHBondContact O-N 2.82Å; E120-R124 WeakPolarHBondContact O-CB 3.36Å; E120-R124 WeakPolarHBondContact O-CG 3.49Å; E120-R124 PolarHBondContact O-N 3.5Å; E120-R124 IonicContact OE1-CZ 3.17Å; E120-R124 IonicContact OE1-NE 2.63Å; E120-R124 PolarHBondContact OE1-NE 2.99Å; E120-R124 IonicContact OE1-NH2 2.67Å; E120-R124 PolarHBondContact OE1-NH2 3.24Å |
| 121 | N | 83.2 | Confident | 81.2 | Confident | 78 Ų | 78 | 95 Ų | 95 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.6 | -82 | -61.8 | 0 | 0 | 0 | 112.3 | D117 N118 I119 R124 K125 | D117-N121 WeakPolarHBondContact O-CB 3.31Å; D117-N121 PolarHBondContact O-N 3.17Å; D117-N121 PolarHBondContact O-ND2 2.8Å; N118-N121 PolarHBondContact O-N 2.92Å; I119-N121 VanDerWaalsContact C-N 3.35Å; I119-N121 PolarHBondContact O-N 3.46Å; N121-R124 PolarHBondContact O-N 2.88Å; N121-K125 VanDerWaalsContact O-CD 3.27Å; N121-K125 WeakPolarHBondContact O-CD 3.47Å; N121-K125 VanDerWaalsContact O-CG 3.31Å; N121-K125 WeakPolarHBondContact O-CG 3.45Å; N121-K125 PolarHBondContact O-N 3.35Å |
| 122 | D | 80 | Confident | 80.9 | Confident | 22 Ų | 22 | 95.6 Ų | 95.6 | 12% | 0.118 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | 176.9 | -168.8 | 55.3 | 0 | 0 | 0 | 112.2 | N118 I119 E120 R124 K125 K126 | N118-D122 WeakPolarHBondContact O-CB 3.47Å; N118-D122 PolarHBondContact O-N 3.25Å; I119-D122 PolarHBondContact O-N 3.39Å; E120-D122 VanDerWaalsContact C-N 3.33Å; E120-D122 PolarHBondContact O-N 2.7Å; D122-R124 PolarHBondContact O-N 3.26Å; D122-K125 PolarHBondContact O-N 3Å; D122-K126 WeakPolarHBondContact O-CB 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.48Å; D122-K126 PolarHBondContact O-N 2.76Å; D122-K126 WeakPolarHBondContact OD2-CE 3.39Å; D122-K126 IonicContact OD2-NZ 3.52Å; D122-K126 PolarHBondContact OD2-NZ 3.1Å |
| 123 | W | 74.9 | Confident | 80.8 | Confident | 173 Ų | 173 | 94 Ų | 94 | 66% | 0.655 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 172.1 | -81.3 | 109.3 | 0 | 0 | 0 | 112.8 | I119 E120 K126 Y127 | I119-W123 PolarHBondContact O-N 2.86Å; E120-W123 PolarHBondContact O-N 2.82Å; W123-K126 PolarHBondContact O-N 2.83Å; W123-Y127 WeakPolarHBondContact O-CB 3.39Å; W123-Y127 PolarHBondContact O-N 3.37Å |
| 124 | R | 81 | Confident | 80.3 | Confident | 144 Ų | 144 | 92.4 Ų | 92.4 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174.8 | -74.6 | 177.3 | -178.4 | -153.9 | 6.9 | 111.5 | E120 N121 D122 K126 Y127 D128 | E120-R124 WeakPolarHBondContact O-CB 3.36Å; E120-R124 WeakPolarHBondContact O-CG 3.49Å; E120-R124 PolarHBondContact O-N 3.5Å; E120-R124 IonicContact OE1-CZ 3.17Å; E120-R124 IonicContact OE1-NE 2.63Å; E120-R124 PolarHBondContact OE1-NE 2.99Å; E120-R124 IonicContact OE1-NH2 2.67Å; E120-R124 PolarHBondContact OE1-NH2 3.24Å; N121-R124 PolarHBondContact O-N 2.88Å; D122-R124 PolarHBondContact O-N 3.26Å; R124-K126 PolarHBondContact O-N 3.37Å; R124-Y127 PolarHBondContact O-N 3.14Å; R124-D128 PolarHBondContact O-N 3.06Å |
| 125 | K | 82.7 | Confident | 79.8 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.1 | -72.7 | 154.7 | 165.4 | 180 | 0 | 112 | N121 D122 Y127 D128 I129 V1709 | N121-K125 VanDerWaalsContact O-CD 3.27Å; N121-K125 WeakPolarHBondContact O-CD 3.47Å; N121-K125 VanDerWaalsContact O-CG 3.31Å; N121-K125 WeakPolarHBondContact O-CG 3.45Å; N121-K125 PolarHBondContact O-N 3.35Å; D122-K125 PolarHBondContact O-N 3Å; K125-Y127 VanDerWaalsContact C-N 3.33Å; K125-Y127 PolarHBondContact O-N 3.07Å; K125-D128 PolarHBondContact O-N 2.87Å; K125-I129 VanDerWaalsContact O-CD1 3.3Å; K125-I129 WeakPolarHBondContact O-CD1 3.5Å; K125-I129 VanDerWaalsContact O-CG1 3.28Å; K125-I129 WeakPolarHBondContact O-CG1 3.48Å; K125-I129 PolarHBondContact O-N 3.38Å; K125-V1709 HydrophobicContact CB-CG2 4.12Å; K125-V1709 HydrophobicContact CD-CG2 3.62Å; K125-V1709 HydrophobicContact CG-CG2 4.18Å |
| 126 | K | 81.2 | Confident | 79.4 | Confident | 53 Ų | 53 | 87.3 Ų | 87.3 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 175 | -77.9 | 165.7 | 169.7 | 165.4 | 0 | 112.2 | D122 W123 R124 L130 S1712 | D122-K126 WeakPolarHBondContact O-CB 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.48Å; D122-K126 PolarHBondContact O-N 2.76Å; D122-K126 WeakPolarHBondContact OD2-CE 3.39Å; D122-K126 IonicContact OD2-NZ 3.52Å; D122-K126 PolarHBondContact OD2-NZ 3.1Å; W123-K126 PolarHBondContact O-N 2.83Å; R124-K126 PolarHBondContact O-N 3.37Å; K126-L130 WeakPolarHBondContact O-CB 3.4Å; K126-L130 PolarHBondContact O-N 3.02Å; K126-L130 VanDerWaalsContact O-N 3.09Å; K126-S1712 WeakPolarHBondContact CE-OG 3.36Å |
| 127 | Y | 79.8 | Confident | 78.8 | Confident | 151 Ų | 151 | 85.5 Ų | 85.5 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.1 | -45.4 | 175.8 | -178.5 | -88.9 | 0 | 0 | 0 | 112.2 | W123 R124 K125 I129 L130 H131 | W123-Y127 WeakPolarHBondContact O-CB 3.39Å; W123-Y127 PolarHBondContact O-N 3.37Å; R124-Y127 PolarHBondContact O-N 3.14Å; K125-Y127 VanDerWaalsContact C-N 3.33Å; K125-Y127 PolarHBondContact O-N 3.07Å; Y127-I129 VanDerWaalsContact C-N 3.33Å; Y127-I129 PolarHBondContact O-N 3.35Å; Y127-L130 PolarHBondContact O-N 3.49Å; Y127-H131 WeakPolarHBondContact O-CB 3.46Å; Y127-H131 PolarHBondContact O-N 3.42Å |
| 128 | D | 80.1 | Confident | 78.6 | Confident | 101 Ų | 101 | 85.6 Ų | 85.6 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 178 | -72.6 | -20.9 | 0 | 0 | 0 | 111.4 | R124 K125 H131 T132 | R124-D128 PolarHBondContact O-N 3.06Å; K125-D128 PolarHBondContact O-N 2.87Å; D128-H131 PolarHBondContact O-N 2.84Å; D128-T132 WeakPolarHBondContact O-CG2 3.37Å; D128-T132 PolarHBondContact O-N 3.26Å; D128-T132 PolarHBondContact O-OG1 3.36Å |
| 129 | I | 79.6 | Confident | 78.3 | Confident | 30 Ų | 30 | 87.8 Ų | 87.8 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.1 | -53.3 | 174.4 | -69.3 | 156.1 | 0 | 0 | 0 | 110.3 | K125 Y127 H131 T132 E133 V1709 | K125-I129 VanDerWaalsContact O-CD1 3.3Å; K125-I129 WeakPolarHBondContact O-CD1 3.5Å; K125-I129 VanDerWaalsContact O-CG1 3.28Å; K125-I129 WeakPolarHBondContact O-CG1 3.48Å; K125-I129 PolarHBondContact O-N 3.38Å; Y127-I129 VanDerWaalsContact C-N 3.33Å; Y127-I129 PolarHBondContact O-N 3.35Å; I129-H131 PolarHBondContact O-N 3.4Å; I129-T132 PolarHBondContact O-N 2.9Å; I129-T132 PolarHBondContact O-OG1 3.16Å; I129-E133 HydrophobicContact CG2-CG 4.4Å; I129-E133 PolarHBondContact O-N 2.77Å; I129-V1709 HydrophobicContact CD1-CB 4.32Å; I129-V1709 HydrophobicContact CD1-CG1 3.67Å |
| 130 | L | 74.9 | Confident | 78.2 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.9 | -38.6 | 179.2 | -163.5 | 83.3 | 0 | 0 | 0 | 111.7 | K126 Y127 E133 F134 | K126-L130 WeakPolarHBondContact O-CB 3.4Å; K126-L130 PolarHBondContact O-N 3.02Å; K126-L130 VanDerWaalsContact O-N 3.09Å; Y127-L130 PolarHBondContact O-N 3.49Å; L130-E133 PolarHBondContact O-N 3.5Å; L130-F134 WeakPolarHBondContact O-CB 3.22Å; L130-F134 PolarHBondContact O-N 2.8Å |
| 131 | H | 80 | Confident | 77.8 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 40% | 0.398 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 176.8 | -167 | 62.7 | 0 | 0 | 0 | 112.3 | Y127 D128 I129 F134 Q135 | Y127-H131 WeakPolarHBondContact O-CB 3.46Å; Y127-H131 PolarHBondContact O-N 3.42Å; D128-H131 PolarHBondContact O-N 2.84Å; I129-H131 PolarHBondContact O-N 3.4Å; H131-F134 PolarHBondContact O-N 3.21Å; H131-Q135 PolarHBondContact CD2-NE2 3.06Å; H131-Q135 PolarHBondContact NE2-NE2 3.28Å; H131-Q135 WeakPolarHBondContact O-CG 3.42Å; H131-Q135 PolarHBondContact O-N 2.89Å |
| 132 | T | 79.7 | Confident | 77.6 | Confident | 87 Ų | 87 | 86.7 Ų | 86.7 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | D128 I129 Q135 C136 | D128-T132 WeakPolarHBondContact O-CG2 3.37Å; D128-T132 PolarHBondContact O-N 3.26Å; D128-T132 PolarHBondContact O-OG1 3.36Å; I129-T132 PolarHBondContact O-N 2.9Å; I129-T132 PolarHBondContact O-OG1 3.16Å; T132-Q135 PolarHBondContact O-N 3.33Å; T132-C136 WeakPolarHBondContact O-CB 3.42Å; T132-C136 PolarHBondContact O-N 2.9Å |
| 133 | E | 75.2 | Confident | 77.5 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 175.3 | -70.9 | -174.4 | 155.6 | 0 | 0 | 111.5 | I129 L130 C136 A137 S1694 | I129-E133 HydrophobicContact CG2-CG 4.4Å; I129-E133 PolarHBondContact O-N 2.77Å; L130-E133 PolarHBondContact O-N 3.5Å; E133-C136 PolarHBondContact O-N 3.09Å; E133-A137 WeakPolarHBondContact O-CB 3.28Å; E133-A137 PolarHBondContact O-N 3.1Å; E133-S1694 PolarHBondContact OE1-OG 3.43Å |
| 134 | F | 76.1 | Confident | 77.7 | Confident | 97 Ų | 97 | 83.8 Ų | 83.8 | 43% | 0.425 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.2 | -176.3 | -96.5 | 0 | 0 | 0 | 112.4 | L130 H131 C136 A137 Q138 | L130-F134 WeakPolarHBondContact O-CB 3.22Å; L130-F134 PolarHBondContact O-N 2.8Å; H131-F134 PolarHBondContact O-N 3.21Å; F134-C136 PolarHBondContact O-N 2.96Å; F134-A137 PolarHBondContact O-N 2.84Å; F134-Q138 WeakPolarHBondContact O-CB 3.37Å; F134-Q138 PolarHBondContact O-N 3.21Å |
| 135 | Q | 74.5 | Confident | 77.7 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 43% | 0.425 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.6 | -72.3 | -172.7 | 16.6 | 0 | 0 | 111.7 | H131 T132 A137 Q138 E139 | H131-Q135 PolarHBondContact CD2-NE2 3.06Å; H131-Q135 PolarHBondContact NE2-NE2 3.28Å; H131-Q135 WeakPolarHBondContact O-CG 3.42Å; H131-Q135 PolarHBondContact O-N 2.89Å; T132-Q135 PolarHBondContact O-N 3.33Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 2.97Å; Q135-Q138 PolarHBondContact O-N 3.16Å; Q135-E139 PolarHBondContact O-N 2.84Å |
| 136 | C | 74.1 | Confident | 77.5 | Confident | 54 Ų | 54 | 85 Ų | 85 | 37% | 0.365 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | T132 E133 F134 E139 K140 | T132-C136 WeakPolarHBondContact O-CB 3.42Å; T132-C136 PolarHBondContact O-N 2.9Å; E133-C136 PolarHBondContact O-N 3.09Å; F134-C136 PolarHBondContact O-N 2.96Å; C136-E139 PolarHBondContact O-N 2.77Å; C136-K140 WeakPolarHBondContact O-CG 3.43Å; C136-K140 PolarHBondContact O-N 2.81Å |
| 137 | A | 69.5 | Low | 77.5 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 28% | 0.281 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E133 F134 Q135 E139 K140 V141 | E133-A137 WeakPolarHBondContact O-CB 3.28Å; E133-A137 PolarHBondContact O-N 3.1Å; F134-A137 PolarHBondContact O-N 2.84Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 2.97Å; A137-E139 VanDerWaalsContact C-N 3.31Å; A137-E139 PolarHBondContact O-N 3.34Å; A137-K140 PolarHBondContact O-N 2.97Å; A137-V141 WeakPolarHBondContact O-CG2 3.49Å; A137-V141 PolarHBondContact O-N 2.72Å |
| 138 | Q | 79.2 | Confident | 77.4 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 177.4 | -165 | -176.7 | 24.7 | 0 | 0 | 112.7 | F134 Q135 R142 | F134-Q138 WeakPolarHBondContact O-CB 3.37Å; F134-Q138 PolarHBondContact O-N 3.21Å; Q135-Q138 PolarHBondContact O-N 3.16Å; Q138-R142 WeakPolarHBondContact O-CG 3.2Å; Q138-R142 PolarHBondContact O-N 2.9Å; Q138-R142 VanDerWaalsContact O-N 3.14Å; Q138-R142 PolarHBondContact O-NE 3.3Å |
| 139 | E | 77 | Confident | 77.4 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.523 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.3 | -42.5 | 172.5 | -77.3 | -176.6 | 165.7 | 0 | 0 | 112.7 | Q135 C136 A137 V141 R142 A143 | Q135-E139 PolarHBondContact O-N 2.84Å; C136-E139 PolarHBondContact O-N 2.77Å; A137-E139 VanDerWaalsContact C-N 3.31Å; A137-E139 PolarHBondContact O-N 3.34Å; E139-V141 VanDerWaalsContact C-N 3.29Å; E139-V141 PolarHBondContact O-N 2.78Å; E139-R142 PolarHBondContact O-N 3.44Å; E139-R142 IonicContact OE1-NH2 2.68Å; E139-A143 WeakPolarHBondContact O-CB 3.32Å; E139-A143 PolarHBondContact O-N 3.29Å |
| 140 | K | 78.1 | Confident | 77.3 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 173.4 | -72.6 | -179.5 | -174.7 | -173 | 0 | 112.5 | C136 A137 L144 H1690 | C136-K140 WeakPolarHBondContact O-CG 3.43Å; C136-K140 PolarHBondContact O-N 2.81Å; A137-K140 PolarHBondContact O-N 2.97Å; K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 WeakPolarHBondContact O-CG 3.35Å; K140-L144 PolarHBondContact O-N 3.2Å; K140-H1690 WeakPolarHBondContact CD-NE2 3.46Å; K140-H1690 PolarHBondContact NZ-CD2 2.98Å; K140-H1690 PolarHBondContact NZ-CE1 3.31Å; K140-H1690 VanDerWaalsContact NZ-CE1 3.27Å; K140-H1690 PolarHBondContact NZ-ND1 2.85Å; K140-H1690 PolarHBondContact NZ-NE2 2.9Å; K140-H1690 VanDerWaalsContact NZ-NE2 3.17Å |
| 141 | V | 73 | Confident | 77.7 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.8 | -52.2 | 173.4 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | A137 E139 A143 L144 E145 | A137-V141 WeakPolarHBondContact O-CG2 3.49Å; A137-V141 PolarHBondContact O-N 2.72Å; E139-V141 VanDerWaalsContact C-N 3.29Å; E139-V141 PolarHBondContact O-N 2.78Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 2.85Å; V141-L144 PolarHBondContact O-N 3.18Å; V141-E145 HydrophobicContact CG1-CG 4.29Å; V141-E145 WeakPolarHBondContact O-CG 3.37Å; V141-E145 PolarHBondContact O-N 3.41Å |
| 142 | R | 79.5 | Confident | 77.7 | Confident | 124 Ų | 124 | 85.5 Ų | 85.5 | 47% | 0.468 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.6 | -39.3 | 175.9 | -77.1 | -176.7 | -77.4 | 147 | -9.6 | 113.1 | Q138 E139 M146 | Q138-R142 WeakPolarHBondContact O-CG 3.2Å; Q138-R142 PolarHBondContact O-N 2.9Å; Q138-R142 VanDerWaalsContact O-N 3.14Å; Q138-R142 PolarHBondContact O-NE 3.3Å; E139-R142 PolarHBondContact O-N 3.44Å; E139-R142 IonicContact OE1-NH2 2.68Å; R142-M146 WeakPolarHBondContact O-CB 3.12Å; R142-M146 VanDerWaalsContact O-CG 3.32Å; R142-M146 WeakPolarHBondContact O-CG 3.26Å; R142-M146 PolarHBondContact O-N 3.45Å |
| 143 | A | 77.8 | Confident | 77.9 | Confident | 63 Ų | 63 | 85 Ų | 85 | 52% | 0.521 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E139 V141 S147 | E139-A143 WeakPolarHBondContact O-CB 3.32Å; E139-A143 PolarHBondContact O-N 3.29Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 2.85Å; A143-S147 WeakPolarHBondContact O-CB 3.42Å; A143-S147 PolarHBondContact O-N 2.89Å |
| 144 | L | 79.5 | Confident | 78.1 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.6 | -41.9 | 175.3 | -79 | 165.2 | 0 | 0 | 0 | 112.5 | K140 V141 M146 S147 I148 | K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 WeakPolarHBondContact O-CG 3.35Å; K140-L144 PolarHBondContact O-N 3.2Å; V141-L144 PolarHBondContact O-N 3.18Å; L144-M146 VanDerWaalsContact C-N 3.29Å; L144-M146 PolarHBondContact O-N 3.32Å; L144-S147 CarbonylContact O-C 3.57Å; L144-S147 PolarHBondContact O-N 3.3Å; L144-S147 VanDerWaalsContact O-N 3.07Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.23Å; L144-I148 PolarHBondContact O-N 3.38Å |
| 145 | E | 79.3 | Confident | 78.4 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 51% | 0.505 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56 | -45.2 | 173.1 | -71.1 | 170.5 | 162.3 | 0 | 0 | 110.9 | V141 S147 I148 L149 | V141-E145 HydrophobicContact CG1-CG 4.29Å; V141-E145 WeakPolarHBondContact O-CG 3.37Å; V141-E145 PolarHBondContact O-N 3.41Å; E145-S147 PolarHBondContact O-N 2.95Å; E145-I148 PolarHBondContact O-N 3.16Å; E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 WeakPolarHBondContact O-CG 3.37Å; E145-L149 PolarHBondContact O-N 3.27Å |
| 146 | M | 79.3 | Confident | 78.6 | Confident | 128 Ų | 128 | 87.4 Ų | 87.4 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66 | -34.4 | 174.7 | -71.6 | -59.5 | -54.4 | 0 | 0 | 113.3 | R142 L144 L149 A150 | R142-M146 WeakPolarHBondContact O-CB 3.12Å; R142-M146 VanDerWaalsContact O-CG 3.32Å; R142-M146 WeakPolarHBondContact O-CG 3.26Å; R142-M146 PolarHBondContact O-N 3.45Å; L144-M146 VanDerWaalsContact C-N 3.29Å; L144-M146 PolarHBondContact O-N 3.32Å; M146-L149 HydrophobicContact SD-CD1 4.31Å; M146-A150 WeakPolarHBondContact O-CB 3.23Å; M146-A150 PolarHBondContact O-N 2.92Å |
| 147 | S | 81.6 | Confident | 79.1 | Confident | 55 Ų | 55 | 90.7 Ų | 90.7 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.3 | -36.4 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | A143 L144 E145 A150 K151 | A143-S147 WeakPolarHBondContact O-CB 3.42Å; A143-S147 PolarHBondContact O-N 2.89Å; L144-S147 CarbonylContact O-C 3.57Å; L144-S147 PolarHBondContact O-N 3.3Å; L144-S147 VanDerWaalsContact O-N 3.07Å; E145-S147 PolarHBondContact O-N 2.95Å; S147-A150 PolarHBondContact O-N 2.89Å; S147-K151 WeakPolarHBondContact O-CG 3.43Å; S147-K151 PolarHBondContact O-N 2.89Å |
| 148 | I | 76.6 | Confident | 79.7 | Confident | 95 Ų | 95 | 91.7 Ų | 91.7 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -49.8 | 173.9 | -68.4 | 164.9 | 0 | 0 | 0 | 109.2 | L144 E145 A150 K151 D152 | L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.23Å; L144-I148 PolarHBondContact O-N 3.38Å; E145-I148 PolarHBondContact O-N 3.16Å; I148-A150 VanDerWaalsContact C-N 3.25Å; I148-A150 PolarHBondContact O-N 3.48Å; I148-K151 CarbonylContact O-C 3.57Å; I148-K151 PolarHBondContact O-N 3.13Å; I148-D152 WeakPolarHBondContact O-CB 3.35Å; I148-D152 PolarHBondContact O-N 3.04Å |
| 149 | L | 80.4 | Confident | 80 | Confident | 103 Ų | 103 | 92.6 Ų | 92.6 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.1 | -39.6 | 173.9 | -76 | 167.7 | 0 | 0 | 0 | 112.5 | E145 M146 T153 | E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 WeakPolarHBondContact O-CG 3.37Å; E145-L149 PolarHBondContact O-N 3.27Å; M146-L149 HydrophobicContact SD-CD1 4.31Å; L149-T153 VanDerWaalsContact O-CG2 3.3Å; L149-T153 WeakPolarHBondContact O-CG2 3.42Å; L149-T153 PolarHBondContact O-N 3.15Å; L149-T153 VanDerWaalsContact O-N 3.13Å |
| 150 | A | 78.9 | Confident | 80.4 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -51.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M146 S147 I148 D152 T153 E154 | M146-A150 WeakPolarHBondContact O-CB 3.23Å; M146-A150 PolarHBondContact O-N 2.92Å; S147-A150 PolarHBondContact O-N 2.89Å; I148-A150 VanDerWaalsContact C-N 3.25Å; I148-A150 PolarHBondContact O-N 3.48Å; A150-D152 VanDerWaalsContact C-N 3.35Å; A150-D152 PolarHBondContact O-N 3.21Å; A150-T153 PolarHBondContact O-N 2.86Å; A150-T153 VanDerWaalsContact O-N 3.17Å; A150-T153 PolarHBondContact O-OG1 3.28Å; A150-E154 PolarHBondContact O-N 2.88Å |
| 151 | K | 83.1 | Confident | 80.7 | Confident | 140 Ų | 140 | 95.2 Ų | 95.2 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -40.4 | 178 | -75.5 | -178 | 178.4 | -177.2 | 0 | 112.7 | S147 I148 T153 E154 F155 | S147-K151 WeakPolarHBondContact O-CG 3.43Å; S147-K151 PolarHBondContact O-N 2.89Å; I148-K151 CarbonylContact O-C 3.57Å; I148-K151 PolarHBondContact O-N 3.13Å; K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 3.1Å; K151-E154 PolarHBondContact O-N 3.06Å; K151-E154 VanDerWaalsContact O-N 3.17Å; K151-F155 WeakPolarHBondContact O-CB 3.44Å; K151-F155 PolarHBondContact O-N 3.03Å |
| 152 | D | 79.8 | Confident | 81.1 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.7 | -71 | -16.8 | 0 | 0 | 0 | 111.4 | I148 A150 A156 | I148-D152 WeakPolarHBondContact O-CB 3.35Å; I148-D152 PolarHBondContact O-N 3.04Å; A150-D152 VanDerWaalsContact C-N 3.35Å; A150-D152 PolarHBondContact O-N 3.21Å; D152-A156 VanDerWaalsContact O-CB 3.25Å; D152-A156 WeakPolarHBondContact O-CB 3.28Å; D152-A156 PolarHBondContact O-N 3.05Å |
| 153 | T | 83.4 | Confident | 81.3 | Confident | 77 Ų | 77 | 98.1 Ų | 98.1 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.6 | -29.3 | 174.6 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | L149 A150 K151 K157 | L149-T153 VanDerWaalsContact O-CG2 3.3Å; L149-T153 WeakPolarHBondContact O-CG2 3.42Å; L149-T153 PolarHBondContact O-N 3.15Å; L149-T153 VanDerWaalsContact O-N 3.13Å; A150-T153 PolarHBondContact O-N 2.86Å; A150-T153 VanDerWaalsContact O-N 3.17Å; A150-T153 PolarHBondContact O-OG1 3.28Å; K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 3.1Å; T153-K157 WeakPolarHBondContact O-CD 3.41Å; T153-K157 VanDerWaalsContact O-CG 3.26Å; T153-K157 WeakPolarHBondContact O-CG 3.46Å; T153-K157 PolarHBondContact O-N 3.48Å |
| 154 | E | 80.4 | Confident | 81.6 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -75 | -42.2 | 173 | -70.1 | -171.7 | 161 | 0 | 0 | 111.7 | A150 K151 A156 K157 C158 | A150-E154 PolarHBondContact O-N 2.88Å; K151-E154 PolarHBondContact O-N 3.06Å; K151-E154 VanDerWaalsContact O-N 3.17Å; E154-A156 PolarHBondContact O-N 3.11Å; E154-K157 PolarHBondContact O-N 2.61Å; E154-C158 WeakPolarHBondContact O-CB 3.44Å; E154-C158 PolarHBondContact O-N 2.98Å |
| 155 | F | 81.1 | Confident | 81.9 | Confident | 141 Ų | 141 | 98 Ų | 98 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 173.1 | -177 | -101.7 | 0 | 0 | 0 | 111.4 | K151 K157 C158 K159 | K151-F155 WeakPolarHBondContact O-CB 3.44Å; K151-F155 PolarHBondContact O-N 3.03Å; F155-K157 PolarHBondContact O-N 3.49Å; F155-C158 PolarHBondContact O-N 3.1Å; F155-K159 HydrophobicContact CE1-CD 4.34Å; F155-K159 VanDerWaalsContact O-CB 3.25Å; F155-K159 WeakPolarHBondContact O-CB 3.47Å; F155-K159 PolarHBondContact O-N 2.95Å |
| 156 | A | 79.6 | Confident | 82.1 | Confident | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D152 E154 N160 | D152-A156 VanDerWaalsContact O-CB 3.25Å; D152-A156 WeakPolarHBondContact O-CB 3.28Å; D152-A156 PolarHBondContact O-N 3.05Å; E154-A156 PolarHBondContact O-N 3.11Å; A156-N160 WeakPolarHBondContact O-CB 3.29Å; A156-N160 PolarHBondContact O-N 3.1Å; A156-N160 PolarHBondContact O-ND2 3.33Å |
| 157 | K | 83.9 | Confident | 82.4 | Confident | 124 Ų | 124 | 93.5 Ų | 93.5 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 173 | -73.1 | 164.9 | -171.2 | 163 | 0 | 111.3 | T153 E154 F155 K159 N160 E161 | T153-K157 WeakPolarHBondContact O-CD 3.41Å; T153-K157 VanDerWaalsContact O-CG 3.26Å; T153-K157 WeakPolarHBondContact O-CG 3.46Å; T153-K157 PolarHBondContact O-N 3.48Å; E154-K157 PolarHBondContact O-N 2.61Å; F155-K157 PolarHBondContact O-N 3.49Å; K157-K159 PolarHBondContact O-N 3.42Å; K157-N160 WeakPolarHBondContact O-CB 3.34Å; K157-N160 PolarHBondContact O-N 3.49Å; K157-N160 VanDerWaalsContact O-N 3.14Å; K157-E161 WeakPolarHBondContact O-CG 3.46Å; K157-E161 PolarHBondContact O-N 3.45Å |
| 158 | C | 82.1 | Confident | 82.7 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | -179.4 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | E154 F155 N160 E161 F162 | E154-C158 WeakPolarHBondContact O-CB 3.44Å; E154-C158 PolarHBondContact O-N 2.98Å; F155-C158 PolarHBondContact O-N 3.1Å; C158-N160 VanDerWaalsContact C-N 3.34Å; C158-N160 PolarHBondContact O-N 3.22Å; C158-E161 PolarHBondContact O-N 2.74Å; C158-F162 VanDerWaalsContact O-CD2 3.3Å; C158-F162 WeakPolarHBondContact O-CD2 3.46Å; C158-F162 PolarHBondContact O-N 2.75Å; C158-F162 WeakPolarHBondContact SG-CE2 3.45Å |
| 159 | K | 85 | Confident | 83.1 | Confident | 111 Ų | 111 | 98 Ų | 98 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 173.3 | -176.8 | 171.5 | -178.7 | 173.2 | 0 | 112.1 | F155 K157 F162 Q163 | F155-K159 HydrophobicContact CE1-CD 4.34Å; F155-K159 VanDerWaalsContact O-CB 3.25Å; F155-K159 WeakPolarHBondContact O-CB 3.47Å; F155-K159 PolarHBondContact O-N 2.95Å; K157-K159 PolarHBondContact O-N 3.42Å; K159-F162 PolarHBondContact O-N 3.38Å; K159-Q163 WeakPolarHBondContact O-CB 3.39Å; K159-Q163 WeakPolarHBondContact O-CG 3.35Å; K159-Q163 PolarHBondContact O-N 2.97Å |
| 160 | N | 84.9 | Confident | 83.3 | Confident | 94 Ų | 94 | 99 Ų | 99 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 176.2 | -69.5 | -18.4 | 0 | 0 | 0 | 112.4 | A156 K157 C158 S164 | A156-N160 WeakPolarHBondContact O-CB 3.29Å; A156-N160 PolarHBondContact O-N 3.1Å; A156-N160 PolarHBondContact O-ND2 3.33Å; K157-N160 WeakPolarHBondContact O-CB 3.34Å; K157-N160 PolarHBondContact O-N 3.49Å; K157-N160 VanDerWaalsContact O-N 3.14Å; C158-N160 VanDerWaalsContact C-N 3.34Å; C158-N160 PolarHBondContact O-N 3.22Å; N160-S164 VanDerWaalsContact O-CB 3.29Å; N160-S164 WeakPolarHBondContact O-CB 3.43Å; N160-S164 PolarHBondContact O-N 3.13Å; N160-S164 PolarHBondContact O-OG 2.88Å |
| 161 | E | 85.3 | Confident | 83.6 | Confident | 132 Ų | 132 | 99.7 Ų | 99.7 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 174.1 | -72.9 | 177.1 | -170 | 0 | 0 | 112.2 | K157 C158 S164 S165 | K157-E161 WeakPolarHBondContact O-CG 3.46Å; K157-E161 PolarHBondContact O-N 3.45Å; C158-E161 PolarHBondContact O-N 2.74Å; E161-S164 PolarHBondContact O-N 2.97Å; E161-S165 WeakPolarHBondContact O-CB 3.49Å; E161-S165 PolarHBondContact O-N 3.34Å; E161-S165 PolarHBondContact O-OG 2.74Å |
| 162 | F | 81.4 | Confident | 83.8 | Confident | 135 Ų | 135 | 98.2 Ų | 98.2 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -46.8 | 172.1 | -84.9 | -63.5 | 0 | 0 | 0 | 112.2 | C158 K159 S164 S165 I166 | C158-F162 VanDerWaalsContact O-CD2 3.3Å; C158-F162 WeakPolarHBondContact O-CD2 3.46Å; C158-F162 PolarHBondContact O-N 2.75Å; C158-F162 WeakPolarHBondContact SG-CE2 3.45Å; K159-F162 PolarHBondContact O-N 3.38Å; F162-S164 VanDerWaalsContact C-N 3.32Å; F162-S164 PolarHBondContact O-N 3.36Å; F162-S165 WeakPolarHBondContact O-CB 3.46Å; F162-S165 PolarHBondContact O-N 3.13Å; F162-S165 VanDerWaalsContact O-N 3.13Å; F162-I166 WeakPolarHBondContact O-CG1 3.28Å; F162-I166 PolarHBondContact O-N 3.21Å |
| 163 | Q | 83.5 | Confident | 84.1 | Confident | 113 Ų | 113 | 98.4 Ų | 98.4 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.2 | -76.8 | -175.5 | -15 | 0 | 0 | 112 | K159 S165 I166 A167 | K159-Q163 WeakPolarHBondContact O-CB 3.39Å; K159-Q163 WeakPolarHBondContact O-CG 3.35Å; K159-Q163 PolarHBondContact O-N 2.97Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 2.94Å; Q163-I166 PolarHBondContact O-N 3.42Å; Q163-A167 WeakPolarHBondContact O-CB 3.27Å; Q163-A167 PolarHBondContact O-N 3.47Å |
| 164 | S | 85 | Confident | 84.2 | Confident | 79 Ų | 79 | 97.4 Ų | 97.4 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | N160 E161 F162 R168 | N160-S164 VanDerWaalsContact O-CB 3.29Å; N160-S164 WeakPolarHBondContact O-CB 3.43Å; N160-S164 PolarHBondContact O-N 3.13Å; N160-S164 PolarHBondContact O-OG 2.88Å; E161-S164 PolarHBondContact O-N 2.97Å; F162-S164 VanDerWaalsContact C-N 3.32Å; F162-S164 PolarHBondContact O-N 3.36Å; S164-R168 WeakPolarHBondContact O-CB 3.36Å; S164-R168 PolarHBondContact O-N 2.75Å |
| 165 | S | 85.4 | Confident | 84.5 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | E161 F162 Q163 R168 L169 | E161-S165 WeakPolarHBondContact O-CB 3.49Å; E161-S165 PolarHBondContact O-N 3.34Å; E161-S165 PolarHBondContact O-OG 2.74Å; F162-S165 WeakPolarHBondContact O-CB 3.46Å; F162-S165 PolarHBondContact O-N 3.13Å; F162-S165 VanDerWaalsContact O-N 3.13Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 2.94Å; S165-R168 PolarHBondContact O-N 2.89Å; S165-L169 WeakPolarHBondContact O-CB 3.43Å; S165-L169 WeakPolarHBondContact O-CG 3.36Å; S165-L169 PolarHBondContact O-N 3.4Å |
| 166 | I | 83.7 | Confident | 84.7 | Confident | 88 Ų | 88 | 94 Ų | 94 | 45% | 0.451 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 173.9 | -69.6 | 166.6 | 0 | 0 | 0 | 110.2 | F162 Q163 R168 L169 Q170 | F162-I166 WeakPolarHBondContact O-CG1 3.28Å; F162-I166 PolarHBondContact O-N 3.21Å; Q163-I166 PolarHBondContact O-N 3.42Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.31Å; I166-L169 PolarHBondContact O-N 2.87Å; I166-Q170 HydrophobicContact CG2-CG 4.27Å; I166-Q170 WeakPolarHBondContact O-CB 3.45Å; I166-Q170 WeakPolarHBondContact O-CG 3.32Å; I166-Q170 PolarHBondContact O-N 2.85Å |
| 167 | A | 84.6 | Confident | 84.9 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q163 Q170 A171 | Q163-A167 WeakPolarHBondContact O-CB 3.27Å; Q163-A167 PolarHBondContact O-N 3.47Å; A167-Q170 PolarHBondContact O-N 3.24Å; A167-A171 PolarHBondContact O-N 3.45Å |
| 168 | R | 87.9 | Confident | 85.1 | Confident | 146 Ų | 146 | 97 Ų | 97 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 174.3 | -170.5 | -178.3 | 68.2 | 73.6 | -1.4 | 111.9 | S164 S165 I166 A171 E172 | S164-R168 WeakPolarHBondContact O-CB 3.36Å; S164-R168 PolarHBondContact O-N 2.75Å; S165-R168 PolarHBondContact O-N 2.89Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.31Å; R168-A171 PolarHBondContact O-N 3.46Å; R168-E172 IonicContact NH1-OE2 3.79Å; R168-E172 PolarHBondContact NH1-OE2 2.97Å; R168-E172 WeakPolarHBondContact O-CB 3.29Å; R168-E172 PolarHBondContact O-N 2.83Å |
| 169 | L | 85.4 | Confident | 85.3 | Confident | 97 Ų | 97 | 96 Ų | 96 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 178.9 | -71.7 | 171.9 | 0 | 0 | 0 | 112.6 | S165 I166 E172 L173 | S165-L169 WeakPolarHBondContact O-CB 3.43Å; S165-L169 WeakPolarHBondContact O-CG 3.36Å; S165-L169 PolarHBondContact O-N 3.4Å; I166-L169 PolarHBondContact O-N 2.87Å; L169-E172 PolarHBondContact O-N 2.93Å; L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 PolarHBondContact O-N 3.46Å |
| 170 | Q | 84.6 | Confident | 85.2 | Confident | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 173.3 | -75.9 | 174.7 | -20.5 | 0 | 0 | 111.7 | I166 A167 L173 A174 | I166-Q170 HydrophobicContact CG2-CG 4.27Å; I166-Q170 WeakPolarHBondContact O-CB 3.45Å; I166-Q170 WeakPolarHBondContact O-CG 3.32Å; I166-Q170 PolarHBondContact O-N 2.85Å; A167-Q170 PolarHBondContact O-N 3.24Å; Q170-L173 PolarHBondContact O-N 3.37Å; Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 3.25Å |
| 171 | A | 85.9 | Confident | 85.2 | Confident | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A167 R168 A174 F175 | A167-A171 PolarHBondContact O-N 3.45Å; R168-A171 PolarHBondContact O-N 3.46Å; A171-A174 PolarHBondContact O-N 3.03Å; A171-F175 WeakPolarHBondContact O-CB 3.33Å; A171-F175 PolarHBondContact O-N 3.32Å |
| 172 | E | 87.1 | Confident | 85.3 | Confident | 109 Ų | 109 | 97.4 Ų | 97.4 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 177.2 | -168.1 | 162.4 | -163.9 | 0 | 0 | 111.8 | R168 L169 F175 S176 | R168-E172 IonicContact NH1-OE2 3.79Å; R168-E172 PolarHBondContact NH1-OE2 2.97Å; R168-E172 WeakPolarHBondContact O-CB 3.29Å; R168-E172 PolarHBondContact O-N 2.83Å; L169-E172 PolarHBondContact O-N 2.93Å; E172-F175 PolarHBondContact O-N 3.49Å; E172-S176 WeakPolarHBondContact O-CB 3.19Å; E172-S176 PolarHBondContact O-N 2.97Å |
| 173 | L | 86.8 | Confident | 85.5 | Confident | 98 Ų | 98 | 97.2 Ų | 97.2 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 172.5 | -179.4 | 63 | 0 | 0 | 0 | 112 | L169 Q170 F175 S176 Q177 | L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 PolarHBondContact O-N 3.46Å; Q170-L173 PolarHBondContact O-N 3.37Å; L173-F175 VanDerWaalsContact C-N 3.33Å; L173-F175 PolarHBondContact O-N 2.85Å; L173-S176 PolarHBondContact O-N 3.5Å; L173-Q177 HydrophobicContact CD1-CG 4.3Å; L173-Q177 HydrophobicContact CG-CG 4.47Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.46Å; L173-Q177 PolarHBondContact O-N 2.95Å |
| 174 | A | 84.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q170 A171 Q177 H178 | Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 3.25Å; A171-A174 PolarHBondContact O-N 3.03Å; A174-Q177 PolarHBondContact O-N 3.05Å; A174-H178 WeakPolarHBondContact O-CB 3.41Å; A174-H178 PolarHBondContact O-N 3.46Å |
| 175 | F | 86.4 | Confident | 85.5 | Confident | 143 Ų | 143 | 105.4 Ų | 105.4 | 63% | 0.627 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 173.7 | -178.2 | -96.4 | 0 | 0 | 0 | 112.4 | A171 E172 L173 H178 T179 | A171-F175 WeakPolarHBondContact O-CB 3.33Å; A171-F175 PolarHBondContact O-N 3.32Å; E172-F175 PolarHBondContact O-N 3.49Å; L173-F175 VanDerWaalsContact C-N 3.33Å; L173-F175 PolarHBondContact O-N 2.85Å; F175-H178 PolarHBondContact O-N 3.21Å; F175-T179 HydrophobicContact CE1-CG2 4.28Å; F175-T179 HydrophobicContact CZ-CG2 4.3Å; F175-T179 PolarHBondContact O-N 2.79Å; F175-T179 PolarHBondContact O-OG1 3.36Å |
| 176 | S | 84.3 | Confident | 85.4 | Confident | 54 Ų | 54 | 105.5 Ų | 105.5 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.9 | -177 | 0 | 0 | 0 | 0 | 112.8 | E172 L173 T179 N180 | E172-S176 WeakPolarHBondContact O-CB 3.19Å; E172-S176 PolarHBondContact O-N 2.97Å; L173-S176 PolarHBondContact O-N 3.5Å; S176-T179 WeakPolarHBondContact CA-OG1 3.31Å; S176-T179 PolarHBondContact O-OG1 2.88Å; S176-T179 VanDerWaalsContact O-OG1 3.1Å; S176-N180 VanDerWaalsContact O-CB 3.32Å; S176-N180 WeakPolarHBondContact O-CB 3.39Å; S176-N180 PolarHBondContact O-N 3.28Å; S176-N180 PolarHBondContact O-ND2 2.87Å |
| 177 | Q | 85.6 | Confident | 85.4 | Confident | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 173.9 | -73.9 | -179.7 | 5.6 | 0 | 0 | 111.9 | L173 A174 N180 K181 | L173-Q177 HydrophobicContact CD1-CG 4.3Å; L173-Q177 HydrophobicContact CG-CG 4.47Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.46Å; L173-Q177 PolarHBondContact O-N 2.95Å; A174-Q177 PolarHBondContact O-N 3.05Å; Q177-N180 PolarHBondContact O-N 3.24Å; Q177-K181 WeakPolarHBondContact O-CB 3.49Å; Q177-K181 WeakPolarHBondContact O-CG 3.36Å; Q177-K181 PolarHBondContact O-N 2.96Å |
| 178 | H | 86.4 | Confident | 85.3 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 175.9 | -177.8 | -99 | 0 | 0 | 0 | 111.8 | A174 F175 K181 R182 | A174-H178 WeakPolarHBondContact O-CB 3.41Å; A174-H178 PolarHBondContact O-N 3.46Å; F175-H178 PolarHBondContact O-N 3.21Å; H178-K181 PolarHBondContact O-N 2.65Å; H178-R182 PolarHBondContact O-N 3.04Å |
| 179 | T | 86.4 | Confident | 84.9 | Confident | 32 Ų | 32 | 108.5 Ų | 108.5 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 174.7 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | F175 S176 K181 R182 Y183 | F175-T179 HydrophobicContact CE1-CG2 4.28Å; F175-T179 HydrophobicContact CZ-CG2 4.3Å; F175-T179 PolarHBondContact O-N 2.79Å; F175-T179 PolarHBondContact O-OG1 3.36Å; S176-T179 WeakPolarHBondContact CA-OG1 3.31Å; S176-T179 PolarHBondContact O-OG1 2.88Å; S176-T179 VanDerWaalsContact O-OG1 3.1Å; T179-K181 PolarHBondContact O-N 3.26Å; T179-R182 WeakPolarHBondContact O-CB 3.2Å; T179-R182 PolarHBondContact O-N 3.33Å; T179-R182 VanDerWaalsContact O-N 3.17Å; T179-Y183 WeakPolarHBondContact O-CD2 3.36Å; T179-Y183 PolarHBondContact O-N 3.33Å |
| 180 | N | 84.7 | Confident | 84.8 | Confident | 83 Ų | 83 | 110 Ų | 110 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 172.5 | -89.8 | -72.1 | 0 | 0 | 0 | 113.2 | S176 Q177 R182 Y183 R184 | S176-N180 VanDerWaalsContact O-CB 3.32Å; S176-N180 WeakPolarHBondContact O-CB 3.39Å; S176-N180 PolarHBondContact O-N 3.28Å; S176-N180 PolarHBondContact O-ND2 2.87Å; Q177-N180 PolarHBondContact O-N 3.24Å; N180-R182 VanDerWaalsContact C-N 3.3Å; N180-R182 PolarHBondContact O-N 2.98Å; N180-Y183 PolarHBondContact O-N 3.1Å; N180-R184 WeakPolarHBondContact O-CB 3.4Å; N180-R184 WeakPolarHBondContact O-CG 3.46Å; N180-R184 PolarHBondContact O-N 3.48Å |
| 181 | K | 84.8 | Confident | 84.6 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -38.8 | 173.3 | -80.1 | 177.8 | 178.4 | 176.2 | 0 | 111.5 | Q177 H178 T179 R185 | Q177-K181 WeakPolarHBondContact O-CB 3.49Å; Q177-K181 WeakPolarHBondContact O-CG 3.36Å; Q177-K181 PolarHBondContact O-N 2.96Å; H178-K181 PolarHBondContact O-N 2.65Å; T179-K181 PolarHBondContact O-N 3.26Å; K181-R185 WeakPolarHBondContact O-CG 3.45Å; K181-R185 PolarHBondContact O-N 3.45Å |
| 182 | R | 85.8 | Confident | 84.3 | Confident | 150 Ų | 150 | 113.1 Ų | 113.1 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.6 | -52.8 | 173.2 | 178.3 | -179.4 | 170.3 | 170.6 | -0.7 | 111.8 | H178 T179 N180 R184 R185 E186 | H178-R182 PolarHBondContact O-N 3.04Å; T179-R182 WeakPolarHBondContact O-CB 3.2Å; T179-R182 PolarHBondContact O-N 3.33Å; T179-R182 VanDerWaalsContact O-N 3.17Å; N180-R182 VanDerWaalsContact C-N 3.3Å; N180-R182 PolarHBondContact O-N 2.98Å; R182-R184 VanDerWaalsContact C-N 3.3Å; R182-R184 PolarHBondContact O-N 3.49Å; R182-R185 WeakPolarHBondContact O-CB 3.41Å; R182-R185 PolarHBondContact O-N 3.01Å; R182-E186 WeakPolarHBondContact CG-OE1 3.35Å; R182-E186 IonicContact CZ-OE1 3.4Å; R182-E186 IonicContact NE-OE1 3.68Å; R182-E186 PolarHBondContact NE-OE1 3.21Å; R182-E186 IonicContact NH2-OE1 3.28Å; R182-E186 PolarHBondContact NH2-OE1 2.78Å; R182-E186 PolarHBondContact O-N 3.4Å |
| 183 | Y | 86.3 | Confident | 84.1 | Confident | 130 Ų | 130 | 113.4 Ų | 113.4 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -35.7 | 179.4 | -65.2 | -46.4 | 0 | 0 | 0 | 112.8 | T179 N180 R185 E186 I187 | T179-Y183 WeakPolarHBondContact O-CD2 3.36Å; T179-Y183 PolarHBondContact O-N 3.33Å; N180-Y183 PolarHBondContact O-N 3.1Å; Y183-R185 PolarHBondContact O-N 3.4Å; Y183-E186 WeakPolarHBondContact CD1-OE2 3.04Å; Y183-E186 PolarHBondContact O-N 3.3Å; Y183-I187 WeakPolarHBondContact O-CB 3.5Å; Y183-I187 VanDerWaalsContact O-CG1 3.27Å; Y183-I187 WeakPolarHBondContact O-CG1 3.46Å; Y183-I187 PolarHBondContact O-N 2.86Å |
| 184 | R | 84.4 | Confident | 83.8 | Confident | 187 Ų | 187 | 110.8 Ų | 110.8 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 172.7 | -76.5 | -176 | -177.4 | -160.7 | 2.2 | 112.4 | N180 R182 Q188 | N180-R184 WeakPolarHBondContact O-CB 3.4Å; N180-R184 WeakPolarHBondContact O-CG 3.46Å; N180-R184 PolarHBondContact O-N 3.48Å; R182-R184 VanDerWaalsContact C-N 3.3Å; R182-R184 PolarHBondContact O-N 3.49Å; R184-Q188 VanDerWaalsContact O-CB 3.26Å; R184-Q188 WeakPolarHBondContact O-CB 3.38Å; R184-Q188 PolarHBondContact O-N 3.47Å |
| 185 | R | 83.2 | Confident | 83.6 | Confident | 178 Ų | 178 | 111.8 Ų | 111.8 | 67% | 0.672 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 174.6 | -70 | 171.9 | 179.9 | 167.5 | -1.5 | 111.5 | K181 R182 Y183 Q188 M189 | K181-R185 WeakPolarHBondContact O-CG 3.45Å; K181-R185 PolarHBondContact O-N 3.45Å; R182-R185 WeakPolarHBondContact O-CB 3.41Å; R182-R185 PolarHBondContact O-N 3.01Å; Y183-R185 PolarHBondContact O-N 3.4Å; R185-Q188 PolarHBondContact O-N 3.47Å; R185-M189 WeakPolarHBondContact O-CG 3.44Å; R185-M189 PolarHBondContact O-N 2.87Å |
| 186 | E | 84.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 110.5 Ų | 110.5 | 26% | 0.257 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.3 | -69.2 | 170.4 | -178.6 | 0 | 0 | 111.3 | R182 Y183 Q188 M189 F190 | R182-E186 WeakPolarHBondContact CG-OE1 3.35Å; R182-E186 IonicContact CZ-OE1 3.4Å; R182-E186 IonicContact NE-OE1 3.68Å; R182-E186 PolarHBondContact NE-OE1 3.21Å; R182-E186 IonicContact NH2-OE1 3.28Å; R182-E186 PolarHBondContact NH2-OE1 2.78Å; R182-E186 PolarHBondContact O-N 3.4Å; Y183-E186 WeakPolarHBondContact CD1-OE2 3.04Å; Y183-E186 PolarHBondContact O-N 3.3Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.06Å; E186-M189 PolarHBondContact O-N 3.19Å; E186-F190 HydrophobicContact CB-CE2 4.48Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; E186-F190 PolarHBondContact O-N 3.3Å |
| 187 | I | 83.8 | Confident | 83.1 | Confident | 93 Ų | 93 | 113 Ų | 113 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 174.6 | -68.8 | 166.8 | 0 | 0 | 0 | 111.9 | Y183 F190 R191 | Y183-I187 WeakPolarHBondContact O-CB 3.5Å; Y183-I187 VanDerWaalsContact O-CG1 3.27Å; Y183-I187 WeakPolarHBondContact O-CG1 3.46Å; Y183-I187 PolarHBondContact O-N 2.86Å; I187-F190 PolarHBondContact O-N 3.06Å; I187-R191 HydrophobicContact CG2-CG 4.48Å; I187-R191 WeakPolarHBondContact O-CG 3.07Å; I187-R191 PolarHBondContact O-N 3.21Å |
| 188 | Q | 82.3 | Confident | 82.8 | Confident | 135 Ų | 135 | 115 Ų | 115 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -37.5 | 179.8 | -169.4 | 161.7 | -4.4 | 0 | 0 | 111.9 | R184 R185 E186 R191 T192 | R184-Q188 VanDerWaalsContact O-CB 3.26Å; R184-Q188 WeakPolarHBondContact O-CB 3.38Å; R184-Q188 PolarHBondContact O-N 3.47Å; R185-Q188 PolarHBondContact O-N 3.47Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.06Å; Q188-R191 PolarHBondContact O-N 3.33Å; Q188-T192 PolarHBondContact O-N 2.85Å; Q188-T192 PolarHBondContact O-OG1 3.22Å |
| 189 | M | 80.8 | Confident | 82.3 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 169.9 | -67.9 | -168.4 | -54.5 | 0 | 0 | 111.8 | R185 E186 R191 T192 E193 | R185-M189 WeakPolarHBondContact O-CG 3.44Å; R185-M189 PolarHBondContact O-N 2.87Å; E186-M189 PolarHBondContact O-N 3.19Å; M189-R191 VanDerWaalsContact C-N 3.28Å; M189-R191 PolarHBondContact O-N 3.47Å; M189-T192 WeakPolarHBondContact CA-OG1 3.5Å; M189-T192 PolarHBondContact O-N 3.31Å; M189-T192 PolarHBondContact O-OG1 2.78Å; M189-E193 WeakPolarHBondContact O-CB 3.49Å; M189-E193 PolarHBondContact O-N 3.23Å |
| 190 | F | 81.8 | Confident | 81.8 | Confident | 128 Ų | 128 | 113.8 Ų | 113.8 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -32.5 | 176.8 | -70.5 | -53.3 | 0 | 0 | 0 | 112.9 | E186 I187 A194 | E186-F190 HydrophobicContact CB-CE2 4.48Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; E186-F190 PolarHBondContact O-N 3.3Å; I187-F190 PolarHBondContact O-N 3.06Å; F190-A194 WeakPolarHBondContact O-CB 3.25Å; F190-A194 PolarHBondContact O-N 3.34Å |
| 191 | R | 80.9 | Confident | 81.2 | Confident | 172 Ų | 172 | 115.6 Ų | 115.6 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.8 | -46.3 | 173.2 | -78.9 | -176.7 | 179.2 | -167.1 | -0.6 | 111.9 | I187 Q188 M189 E193 A194 D195 | I187-R191 HydrophobicContact CG2-CG 4.48Å; I187-R191 WeakPolarHBondContact O-CG 3.07Å; I187-R191 PolarHBondContact O-N 3.21Å; Q188-R191 PolarHBondContact O-N 3.33Å; M189-R191 VanDerWaalsContact C-N 3.28Å; M189-R191 PolarHBondContact O-N 3.47Å; R191-E193 VanDerWaalsContact C-N 3.32Å; R191-E193 PolarHBondContact O-N 3.02Å; R191-A194 PolarHBondContact O-N 3.01Å; R191-D195 WeakPolarHBondContact O-CB 3.42Å; R191-D195 VanDerWaalsContact O-CG 3.3Å; R191-D195 PolarHBondContact O-N 2.99Å |
| 192 | T | 80.6 | Confident | 80.4 | Confident | 81 Ų | 81 | 114.5 Ų | 114.5 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 175.4 | 44.1 | 0 | 0 | 0 | 0 | 111.7 | Q188 M189 A194 D195 D196 | Q188-T192 PolarHBondContact O-N 2.85Å; Q188-T192 PolarHBondContact O-OG1 3.22Å; M189-T192 WeakPolarHBondContact CA-OG1 3.5Å; M189-T192 PolarHBondContact O-N 3.31Å; M189-T192 PolarHBondContact O-OG1 2.78Å; T192-A194 PolarHBondContact O-N 3.48Å; T192-D195 PolarHBondContact O-N 2.91Å; T192-D196 WeakPolarHBondContact O-CB 3.31Å; T192-D196 PolarHBondContact O-N 3.34Å |
| 193 | E | 82.7 | Confident | 79.5 | Confident | 115 Ų | 115 | 111.8 Ų | 111.8 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.6 | -172.7 | 175.7 | -161.8 | 0 | 0 | 112.1 | M189 R191 L197 | M189-E193 WeakPolarHBondContact O-CB 3.49Å; M189-E193 PolarHBondContact O-N 3.23Å; R191-E193 VanDerWaalsContact C-N 3.32Å; R191-E193 PolarHBondContact O-N 3.02Å; E193-L197 HydrophobicContact CG-CD1 4.35Å; E193-L197 VanDerWaalsContact O-CB 3.32Å; E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 VanDerWaalsContact O-CG 3.23Å; E193-L197 WeakPolarHBondContact O-CG 3.4Å; E193-L197 PolarHBondContact O-N 3.35Å |
| 194 | A | 80.2 | Confident | 78.3 | Confident | 44 Ų | 44 | 109.7 Ų | 109.7 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.9 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F190 R191 T192 R198 | F190-A194 WeakPolarHBondContact O-CB 3.25Å; F190-A194 PolarHBondContact O-N 3.34Å; R191-A194 PolarHBondContact O-N 3.01Å; T192-A194 PolarHBondContact O-N 3.48Å; A194-R198 WeakPolarHBondContact O-CB 3.42Å; A194-R198 PolarHBondContact O-N 2.92Å |
| 195 | D | 79.3 | Confident | 76.9 | Confident | 77 Ų | 77 | 106.8 Ų | 106.8 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76 | -37 | 176.4 | -69.8 | -26.5 | 0 | 0 | 0 | 111 | R191 T192 R198 A199 | R191-D195 WeakPolarHBondContact O-CB 3.42Å; R191-D195 VanDerWaalsContact O-CG 3.3Å; R191-D195 PolarHBondContact O-N 2.99Å; T192-D195 PolarHBondContact O-N 2.91Å; D195-R198 PolarHBondContact O-N 2.95Å; D195-R198 IonicContact OD1-CZ 2.68Å; D195-R198 IonicContact OD1-NH1 2.66Å; D195-R198 PolarHBondContact OD1-NH1 3.31Å; D195-R198 IonicContact OD1-NH2 3.72Å; D195-R198 PolarHBondContact OD1-NH2 2.9Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.93Å |
| 196 | D | 79.9 | Confident | 75.6 | Confident | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 169.1 | -76 | -20.7 | 0 | 0 | 0 | 111.7 | T192 A199 T200 | T192-D196 WeakPolarHBondContact O-CB 3.31Å; T192-D196 PolarHBondContact O-N 3.34Å; D196-A199 PolarHBondContact O-N 3.23Å; D196-T200 PolarHBondContact O-N 3.01Å; D196-T200 PolarHBondContact O-OG1 2.98Å |
| 197 | L | 81.1 | Confident | 74 | Confident | 107 Ų | 107 | 107.4 Ų | 107.4 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | 172.6 | -77.2 | 170.2 | 0 | 0 | 0 | 112.2 | E193 T200 L201 | E193-L197 HydrophobicContact CG-CD1 4.35Å; E193-L197 VanDerWaalsContact O-CB 3.32Å; E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 VanDerWaalsContact O-CG 3.23Å; E193-L197 WeakPolarHBondContact O-CG 3.4Å; E193-L197 PolarHBondContact O-N 3.35Å; L197-T200 WeakPolarHBondContact CA-OG1 3.41Å; L197-T200 PolarHBondContact O-OG1 3.42Å; L197-T200 VanDerWaalsContact O-OG1 3.12Å; L197-L201 VanDerWaalsContact O-CB 3.27Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 2.85Å |
| 198 | R | 79.2 | Confident | 72 | Confident | 148 Ų | 148 | 110.1 Ų | 110.1 | 56% | 0.558 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.8 | -42 | 175.6 | -167.4 | -175.2 | -56.5 | 114.6 | 15 | 111 | A194 D195 L201 E202 | A194-R198 WeakPolarHBondContact O-CB 3.42Å; A194-R198 PolarHBondContact O-N 2.92Å; D195-R198 PolarHBondContact O-N 2.95Å; D195-R198 IonicContact OD1-CZ 2.68Å; D195-R198 IonicContact OD1-NH1 2.66Å; D195-R198 PolarHBondContact OD1-NH1 3.31Å; D195-R198 IonicContact OD1-NH2 3.72Å; D195-R198 PolarHBondContact OD1-NH2 2.9Å; R198-L201 PolarHBondContact O-N 3.19Å; R198-E202 VanDerWaalsContact O-CB 3.29Å; R198-E202 WeakPolarHBondContact O-CB 3.39Å; R198-E202 PolarHBondContact O-N 3.41Å |
| 199 | A | 76.5 | Confident | 69.8 | Low | 55 Ų | 55 | 109.9 Ų | 109.9 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.1 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D195 D196 E202 T203 | D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.93Å; D196-A199 PolarHBondContact O-N 3.23Å; A199-E202 PolarHBondContact O-N 2.91Å; A199-T203 PolarHBondContact O-N 2.98Å; A199-T203 PolarHBondContact O-OG1 3.23Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å |
| 200 | T | 75.1 | Confident | 67.5 | Low | 80 Ų | 80 | 109 Ų | 109 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -44.6 | 173.5 | 31.9 | 0 | 0 | 0 | 0 | 112.2 | D196 L197 E202 T203 V204 | D196-T200 PolarHBondContact O-N 3.01Å; D196-T200 PolarHBondContact O-OG1 2.98Å; L197-T200 WeakPolarHBondContact CA-OG1 3.41Å; L197-T200 PolarHBondContact O-OG1 3.42Å; L197-T200 VanDerWaalsContact O-OG1 3.12Å; T200-E202 VanDerWaalsContact C-N 3.32Å; T200-E202 PolarHBondContact O-N 3.36Å; T200-T203 WeakPolarHBondContact CA-OG1 3.48Å; T200-T203 PolarHBondContact O-N 3.44Å; T200-T203 PolarHBondContact O-OG1 2.96Å; T200-V204 WeakPolarHBondContact O-CG2 3.44Å; T200-V204 PolarHBondContact O-N 2.88Å |
| 201 | L | 72 | Confident | 65.6 | Low | 120 Ų | 120 | 110.6 Ų | 110.6 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.7 | -38.4 | 176.6 | -164.3 | 78.6 | 0 | 0 | 0 | 112.1 | L197 R198 V204 N205 | L197-L201 VanDerWaalsContact O-CB 3.27Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 2.85Å; R198-L201 PolarHBondContact O-N 3.19Å; L201-V204 PolarHBondContact O-N 3.44Å; L201-N205 WeakPolarHBondContact O-CB 3.4Å; L201-N205 PolarHBondContact O-N 3.41Å |
| 202 | E | 67.8 | Low | 63.3 | Low | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.5 | -34 | 179.5 | -165.6 | 176.8 | -129.8 | 0 | 0 | 112.1 | R198 A199 T200 K206 | R198-E202 VanDerWaalsContact O-CB 3.29Å; R198-E202 WeakPolarHBondContact O-CB 3.39Å; R198-E202 PolarHBondContact O-N 3.41Å; A199-E202 PolarHBondContact O-N 2.91Å; T200-E202 VanDerWaalsContact C-N 3.32Å; T200-E202 PolarHBondContact O-N 3.36Å; E202-K206 WeakPolarHBondContact O-CG 3.24Å; E202-K206 PolarHBondContact O-N 3.29Å; E202-K206 VanDerWaalsContact O-N 3.12Å; E202-K206 IonicContact OE2-NZ 3.97Å |
| 203 | T | 68.5 | Low | 61.4 | Low | 93 Ų | 93 | 110 Ų | 110 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -37.2 | 166.5 | 40.7 | 0 | 0 | 0 | 0 | 113 | A199 T200 | A199-T203 PolarHBondContact O-N 2.98Å; A199-T203 PolarHBondContact O-OG1 3.23Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å; T200-T203 WeakPolarHBondContact CA-OG1 3.48Å; T200-T203 PolarHBondContact O-N 3.44Å; T200-T203 PolarHBondContact O-OG1 2.96Å |
| 204 | V | 59.6 | Low | 59.2 | Low | 85 Ų | 85 | 112 Ų | 112 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.4 | -42.9 | 175 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | T200 L201 K206 S207 | T200-V204 WeakPolarHBondContact O-CG2 3.44Å; T200-V204 PolarHBondContact O-N 2.88Å; L201-V204 PolarHBondContact O-N 3.44Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.39Å; V204-S207 WeakPolarHBondContact O-CB 3.36Å; V204-S207 PolarHBondContact O-N 2.87Å; V204-S207 PolarHBondContact O-OG 2.88Å |
| 205 | N | 56.1 | Low | 57.3 | Low | 126 Ų | 126 | 117 Ų | 117 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.4 | -27.5 | -176.9 | -150.4 | 26.5 | 0 | 0 | 0 | 112.6 | L201 S207 | L201-N205 WeakPolarHBondContact O-CB 3.4Å; L201-N205 PolarHBondContact O-N 3.41Å; N205-S207 PolarHBondContact O-N 3.39Å |
| 206 | K | 55 | Low | 55.3 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 71% | 0.709 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -9.1 | 168.9 | -77.7 | 168.2 | -178.4 | 159.6 | 0 | 114 | E202 V204 | E202-K206 WeakPolarHBondContact O-CG 3.24Å; E202-K206 PolarHBondContact O-N 3.29Å; E202-K206 VanDerWaalsContact O-N 3.12Å; E202-K206 IonicContact OE2-NZ 3.97Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.39Å |
| 207 | S | 50.9 | Low | 53.3 | Low | 83 Ų | 83 | 125 Ų | 125 | 58% | 0.58 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -3.1 | -176.2 | 72.7 | 0 | 0 | 0 | 0 | 115.6 | V204 N205 | V204-S207 WeakPolarHBondContact O-CB 3.36Å; V204-S207 PolarHBondContact O-N 2.87Å; V204-S207 PolarHBondContact O-OG 2.88Å; N205-S207 PolarHBondContact O-N 3.39Å |
| 208 | H | 40.7 | Very low | 51.3 | Low | 150 Ų | 150 | 125.5 Ų | 125.5 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -124.9 | 133.8 | -177.7 | -95.7 | -86.8 | 0 | 0 | 0 | 114.6 | ||
| 209 | V | 36.8 | Very low | 49.6 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | trans | -83.9 | 129.4 | -172.9 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 210 | S | 32.6 | Very low | 47.9 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | trans | -11 | 125.7 | 165.4 | 55 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 211 | I | 41.1 | Very low | 46.2 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 82% | 0.821 | 71% | 0.706 | S | S | * | * | trans | -133.3 | 132 | 152.1 | -63.1 | -176.6 | 0 | 0 | 0 | 108.7 | ||||
| 212 | D | 33.1 | Very low | 44.8 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | trans | -85.8 | 132.7 | -177.6 | -171.5 | 8.1 | 0 | 0 | 0 | 110.5 | K214 | D212-K214 IonicContact OD2-NZ 3.72Š| ||
| 213 | V | 41.9 | Very low | 43.4 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -136.7 | 79.9 | 170.1 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 214 | K | 35.7 | Very low | 42.1 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | -68.2 | 165.6 | 149.3 | -69.2 | 165.6 | -174 | 150.8 | 0 | 109.1 | D212 | D212-K214 IonicContact OD2-NZ 3.72Š| ||
| 215 | D | 40.2 | Very low | 41 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 75.5 | 89.6 | -179.3 | -51.9 | -26.9 | 0 | 0 | 0 | 115.5 | ||||
| 216 | L | 37 | Very low | 40.2 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | trans | -173.1 | 116.6 | 141.4 | -98.4 | 154.5 | 0 | 0 | 0 | 108.6 | ||||
| 217 | K | 37.5 | Very low | 39.5 | Very low | 184 Ų | 184 | 138 Ų | 138 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -83.6 | 154.3 | -179.1 | -75.4 | -176.2 | 175 | -176.2 | 0 | 112.1 | D219 | K217-D219 PolarHBondContact O-N 3.12Š| ||
| 218 | P | 40.2 | Very low | 38.8 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.7 | 8.1 | -169 | -6 | 27.4 | 0 | 0 | 0 | 116.4 | ||
| 219 | D | 43.1 | Very low | 38.6 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -92.3 | -11.5 | -156.9 | -59.7 | -40.9 | 0 | 0 | 0 | 116.6 | K217 | K217-D219 PolarHBondContact O-N 3.12Š|
| 220 | D | 41.7 | Very low | 38.6 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -110 | 10.8 | -165 | -81.5 | -41.6 | 0 | 0 | 0 | 116.9 | ||
| 221 | L | 38.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -98.3 | 11.2 | -169.7 | -101.2 | 163.2 | 0 | 0 | 0 | 117 | ||||
| 222 | H | 42.5 | Very low | 38.2 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -91.2 | -1.1 | -174.3 | -94.6 | -63.1 | 0 | 0 | 0 | 117 | ||
| 223 | T | 39.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 146 Ų | 146 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -120.1 | -2.1 | -169.8 | 45.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 224 | S | 41.2 | Very low | 37.7 | Very low | 68 Ų | 68 | 148 Ų | 148 | 48% | 0.476 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -101.4 | -27.9 | -172.5 | 55.6 | 0 | 0 | 0 | 0 | 116 | Q226 | S224-Q226 PolarHBondContact O-N 2.85Š|
| 225 | E | 34.9 | Very low | 37.4 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -78.5 | -17.2 | -176.3 | -66.8 | -160.6 | 138.4 | 0 | 0 | 114.6 | N227 | E225-N227 VanDerWaalsContact C-N 3.27Å; E225-N227 PolarHBondContact O-N 3.43Å |
| 226 | Q | 40.8 | Very low | 36.7 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -75.4 | -10.6 | -171.6 | -141.7 | 170.1 | 19.2 | 0 | 0 | 114.5 | S224 | S224-Q226 PolarHBondContact O-N 2.85Š|
| 227 | N | 39.8 | Very low | 36.3 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -104 | -6.7 | -174.8 | -75.8 | -45.1 | 0 | 0 | 0 | 115.2 | E225 | E225-N227 VanDerWaalsContact C-N 3.27Å; E225-N227 PolarHBondContact O-N 3.43Å |
| 228 | L | 35.7 | Very low | 35.8 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -97.5 | -9.1 | -171.9 | -105.3 | 149.5 | 0 | 0 | 0 | 115.4 | ||
| 229 | W | 36.1 | Very low | 35.2 | Very low | 215 Ų | 215 | 147.5 Ų | 147.5 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -99 | -0.5 | -176.7 | -76.4 | 75.4 | 0 | 0 | 0 | 115 | ||
| 230 | N | 37.5 | Very low | 34.5 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -97.2 | 14.8 | -168.3 | -77.2 | -31.9 | 0 | 0 | 0 | 115.9 | ||
| 231 | Q | 33 | Very low | 33.8 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -140 | 96.9 | -178.7 | -62.7 | -172.3 | 21.7 | 0 | 0 | 113.9 | ||||
| 232 | S | 31.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 44.4 | 157.3 | 139.9 | -96.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 233 | P | 36.7 | Very low | 32.4 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | cis | -136.5 | 176 | 22 | 39.5 | -19.8 | 0 | 0 | 0 | 117.5 | ||||
| 234 | Q | 28.8 | Very low | 32 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -39.7 | 134.1 | 170.6 | -57.6 | 169.6 | -3.4 | 0 | 0 | 115 | ||||
| 235 | C | 27.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -133.6 | 107.4 | 155.1 | -88.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 236 | N | 26.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -73.9 | 120.8 | 177 | -65.8 | -62 | 0 | 0 | 0 | 110.5 | ||||
| 237 | L | 28.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -147.9 | 89.1 | 162.4 | -106.5 | 149.8 | 0 | 0 | 0 | 111.5 | ||||
| 238 | K | 26.5 | Very low | 29.9 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 22.4 | 117.2 | 156.2 | -66.9 | 176.7 | 177.2 | 176.4 | 0 | 118.7 | ||||
| 239 | T | 28.5 | Very low | 29.5 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 132.7 | 157.4 | 33.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 240 | P | 27.9 | Very low | 29.1 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -92 | 127 | 152.7 | 13.6 | 3.8 | 0 | 0 | 0 | 110.7 | ||
| 241 | T | 26.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.9 | -178.9 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 242 | T | 28 | Very low | 28.3 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 14.9 | 107.2 | 160.8 | 60.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 243 | V | 24.8 | Very low | 28.2 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 62% | 0.624 | 79% | 0.787 | S | S | * | * | trans | -144.3 | 117.1 | 144.4 | -163.8 | 0 | 0 | 0 | 0 | 109.3 | L246 | V243-L246 HydrophobicContact CG1-CG 4.4Š| ||
| 244 | S | 29.8 | Very low | 27.8 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -137 | 54.5 | 166.6 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 245 | S | 26 | Very low | 27.7 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -155.3 | 58.3 | -176.1 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 246 | L | 27.7 | Very low | 27.9 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -144 | 102.5 | 166 | -77 | -178 | 0 | 0 | 0 | 109.5 | V243 | V243-L246 HydrophobicContact CG1-CG 4.4Š| ||
| 247 | S | 31.7 | Very low | 28 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 142.9 | 151.1 | -51.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 248 | P | 28.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | -124 | 90.6 | 155.5 | 29.5 | -12.6 | 0 | 0 | 0 | 109.4 | F250 | P248-F250 HydrophobicContact CB-CD2 3.89Å; P248-F250 HydrophobicContact CB-CE2 3.94Å; P248-F250 PolarHBondContact O-N 3.36Å | ||
| 249 | S | 26.4 | Very low | 28.4 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -58.4 | 114.6 | 151.7 | 46.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 250 | F | 27.2 | Very low | 28.5 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -128.8 | 115.5 | 165.1 | -85.3 | -72.5 | 0 | 0 | 0 | 110.1 | P248 | P248-F250 HydrophobicContact CB-CD2 3.89Å; P248-F250 HydrophobicContact CB-CE2 3.94Å; P248-F250 PolarHBondContact O-N 3.36Å | ||
| 251 | S | 26.5 | Very low | 28.5 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 145.9 | 179 | -44.6 | 0 | 0 | 0 | 0 | 111.2 | S253 | S251-S253 VanDerWaalsContact C-N 3.28Å; S251-S253 PolarHBondContact O-N 3.16Å | ||
| 252 | T | 28.5 | Very low | 28.8 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 85.7 | 166.8 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 253 | S | 29.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -81.6 | 132.2 | 165.2 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | S251 | S251-S253 VanDerWaalsContact C-N 3.28Å; S251-S253 PolarHBondContact O-N 3.16Å | ||
| 254 | T | 28.5 | Very low | 29.5 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 141.4 | 171.6 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 255 | G | 26.4 | Very low | 30 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 119.9 | 131.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 256 | H | 32 | Very low | 30.6 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | 76.4 | 137.5 | 158.5 | -102.4 | -74.4 | 0 | 0 | 0 | 122.2 | ||||
| 257 | E | 29 | Very low | 31.1 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 155.8 | 178.4 | -48.2 | 175.2 | 131.6 | 0 | 0 | 112.5 | ||||
| 258 | D | 33.2 | Very low | 31.3 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -150.8 | 126.2 | 140.6 | -124.8 | -22.5 | 0 | 0 | 0 | 110.5 | ||||
| 259 | G | 29 | Very low | 32 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | -99.6 | 129.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 260 | V | 30.8 | Very low | 32.9 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -98.9 | 82.7 | 162.7 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | R262 | V260-R262 PolarHBondContact O-N 3.02Š| ||
| 261 | V | 28.8 | Very low | 33.4 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -68.7 | 109.7 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | T263 | V261-T263 HydrophobicContact CG1-CG2 4.02Š| ||
| 262 | R | 32.4 | Very low | 33.8 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -91.8 | 101.8 | 154.7 | -82.8 | -168.8 | 174.5 | -174 | 0.4 | 108.4 | V260 | V260-R262 PolarHBondContact O-N 3.02Š| ||
| 263 | T | 33.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -59.9 | 127.9 | 179.1 | 21.5 | 0 | 0 | 0 | 0 | 111.7 | V261 | V261-T263 HydrophobicContact CG1-CG2 4.02Š| ||
| 264 | P | 34.4 | Very low | 34.6 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 130.5 | 168.5 | -13.4 | 27.7 | 0 | 0 | 0 | 110 | K266 | P264-K266 PolarHBondContact O-N 3.38Š| ||
| 265 | L | 38.6 | Very low | 35.3 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -69.6 | 87.3 | 177.3 | -83.3 | 162 | 0 | 0 | 0 | 111.2 | E267 | L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 PolarHBondContact O-N 2.87Å | ||
| 266 | K | 38.6 | Very low | 36.2 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -81.4 | 6.3 | 177.8 | -109.5 | 179.4 | 178.7 | 178.3 | 0 | 114.8 | P264 | P264-K266 PolarHBondContact O-N 3.38Š| ||
| 267 | E | 38.9 | Very low | 37.3 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -122.4 | 79.2 | -171.8 | -66.3 | -175.9 | 173.6 | 0 | 0 | 112.5 | L265 | L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 PolarHBondContact O-N 2.87Å | ||
| 268 | F | 36.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 58% | 0.575 | 77% | 0.765 | S | S | * | * | trans | -133.6 | -1.4 | 166.4 | -102.2 | -79.8 | 0 | 0 | 0 | 115.2 | S270 | F268-S270 PolarHBondContact O-N 2.59Š| ||
| 269 | N | 43.9 | Very low | 40.1 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 7.8 | -178.3 | -71.2 | -10.1 | 0 | 0 | 0 | 115.1 | ||
| 270 | S | 44.1 | Very low | 41.5 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 6 | -173 | -62.8 | 0 | 0 | 0 | 0 | 115.6 | F268 | F268-S270 PolarHBondContact O-N 2.59Š|
| 271 | L | 37.9 | Very low | 42.9 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | -115.7 | 55.6 | -178.8 | -84.3 | 162.3 | 0 | 0 | 0 | 112.8 | ||||
| 272 | H | 36.3 | Very low | 45 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | trans | -99.6 | 124 | 164.1 | -153.6 | 60.8 | 0 | 0 | 0 | 107.8 | ||||
| 273 | N | 38.4 | Very low | 46.9 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 82.5 | 70.9 | -178.1 | -44.6 | -47.7 | 0 | 0 | 0 | 118.2 | ||
| 274 | Q | 36.2 | Very low | 48.6 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | trans | -167.6 | 162.8 | 140.7 | -109.3 | 151.5 | 76.3 | 0 | 0 | 113.9 | ||||
| 275 | I | 43.2 | Very low | 50.6 | Low | 155 Ų | 155 | 130.2 Ų | 130.2 | 80% | 0.795 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.9 | -175.3 | -62.9 | 164.6 | 0 | 0 | 0 | 110.6 | S277 | I275-S277 PolarHBondContact O-N 2.88Š|
| 276 | P | 44.6 | Very low | 52.4 | Low | 87 Ų | 87 | 127.6 Ų | 127.6 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.6 | -174.9 | 23.6 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 277 | S | 55.2 | Low | 54 | Low | 67 Ų | 67 | 127.5 Ų | 127.5 | 47% | 0.469 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 164.1 | 175.9 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | I275 E279 S280 Y281 | I275-S277 PolarHBondContact O-N 2.88Å; S277-E279 PolarHBondContact O-N 3.4Å; S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.4Å; S277-S280 PolarHBondContact O-N 2.85Å; S277-Y281 PolarHBondContact O-N 3.35Å |
| 278 | E | 57.1 | Low | 55.9 | Low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -56.3 | -30.8 | 175.3 | -162.5 | 166.8 | -153 | 0 | 0 | 112.5 | S280 Y281 A282 | E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.26Å; E278-Y281 WeakPolarHBondContact O-CB 3.33Å; E278-Y281 PolarHBondContact O-N 3.41Å; E278-A282 PolarHBondContact O-N 3.35Å |
| 279 | E | 64.3 | Low | 58 | Low | 117 Ų | 117 | 121 Ų | 121 | 55% | 0.547 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.9 | -29.7 | 174.5 | -156.3 | -167.9 | 150.7 | 0 | 0 | 113.2 | S277 K283 | S277-E279 PolarHBondContact O-N 3.4Å; E279-K283 WeakPolarHBondContact O-CG 3.38Å; E279-K283 PolarHBondContact O-N 3.34Å; E279-K283 VanDerWaalsContact OE1-CE 3.23Å; E279-K283 WeakPolarHBondContact OE1-CE 3.25Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 2.93Å |
| 280 | S | 58.2 | Low | 59.7 | Low | 59 Ų | 59 | 116.5 Ų | 116.5 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | S277 E278 L284 | S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.4Å; S277-S280 PolarHBondContact O-N 2.85Å; E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.26Å; S280-L284 WeakPolarHBondContact O-CB 3.25Å; S280-L284 PolarHBondContact O-N 2.86Å |
| 281 | Y | 60.6 | Low | 61.3 | Low | 154 Ų | 154 | 113.1 Ų | 113.1 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.6 | -42.7 | 175.8 | -84.8 | -85.2 | 0 | 0 | 0 | 111.3 | S277 E278 K283 L284 T285 | S277-Y281 PolarHBondContact O-N 3.35Å; E278-Y281 WeakPolarHBondContact O-CB 3.33Å; E278-Y281 PolarHBondContact O-N 3.41Å; Y281-K283 PolarHBondContact O-N 2.9Å; Y281-L284 PolarHBondContact O-N 2.86Å; Y281-T285 PolarHBondContact O-N 2.71Å; Y281-T285 PolarHBondContact O-OG1 3.25Å; Y281-T285 VanDerWaalsContact O-OG1 3.05Å |
| 282 | A | 72.2 | Confident | 63.4 | Low | 48 Ų | 48 | 113.7 Ų | 113.7 | 40% | 0.397 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.3 | -50.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E278 L284 T285 D286 | E278-A282 PolarHBondContact O-N 3.35Å; A282-L284 VanDerWaalsContact C-N 3.28Å; A282-L284 PolarHBondContact O-N 2.84Å; A282-T285 WeakPolarHBondContact O-CB 3.39Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-T285 VanDerWaalsContact O-N 3.1Å; A282-D286 PolarHBondContact O-N 3.45Å |
| 283 | K | 71.3 | Confident | 65.5 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 47% | 0.47 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63 | -32.2 | 177.5 | -71 | 172.4 | -173.7 | 168 | 0 | 113 | E279 Y281 R287 | E279-K283 WeakPolarHBondContact O-CG 3.38Å; E279-K283 PolarHBondContact O-N 3.34Å; E279-K283 VanDerWaalsContact OE1-CE 3.23Å; E279-K283 WeakPolarHBondContact OE1-CE 3.25Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 2.93Å; Y281-K283 PolarHBondContact O-N 2.9Å; K283-R287 PolarHBondContact O-N 3.22Å; K283-R287 VanDerWaalsContact O-N 3.11Å |
| 284 | L | 69.8 | Low | 67.5 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 173.1 | -155.8 | 85.8 | 0 | 0 | 0 | 111.5 | S280 Y281 A282 R287 L288 | S280-L284 WeakPolarHBondContact O-CB 3.25Å; S280-L284 PolarHBondContact O-N 2.86Å; Y281-L284 PolarHBondContact O-N 2.86Å; A282-L284 VanDerWaalsContact C-N 3.28Å; A282-L284 PolarHBondContact O-N 2.84Å; L284-R287 PolarHBondContact O-N 3.3Å; L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 PolarHBondContact O-N 2.77Å |
| 285 | T | 76.1 | Confident | 69.7 | Low | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.454 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.8 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | Y281 A282 L288 N289 | Y281-T285 PolarHBondContact O-N 2.71Å; Y281-T285 PolarHBondContact O-OG1 3.25Å; Y281-T285 VanDerWaalsContact O-OG1 3.05Å; A282-T285 WeakPolarHBondContact O-CB 3.39Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-T285 VanDerWaalsContact O-N 3.1Å; T285-L288 WeakPolarHBondContact O-CB 3.49Å; T285-L288 PolarHBondContact O-N 3.49Å; T285-N289 WeakPolarHBondContact O-CB 3.04Å; T285-N289 VanDerWaalsContact O-CG 3.27Å; T285-N289 PolarHBondContact O-N 3.39Å; T285-N289 PolarHBondContact O-ND2 3.43Å |
| 286 | D | 76.9 | Confident | 71.5 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 176.1 | -71.7 | -23.3 | 0 | 0 | 0 | 112.4 | A282 S290 | A282-D286 PolarHBondContact O-N 3.45Å; D286-S290 VanDerWaalsContact O-CB 3.3Å; D286-S290 WeakPolarHBondContact O-CB 3.33Å; D286-S290 PolarHBondContact O-N 2.77Å; D286-S290 PolarHBondContact O-OG 3.37Å |
| 287 | R | 73.3 | Confident | 73.2 | Confident | 197 Ų | 197 | 106.4 Ų | 106.4 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 168.5 | -85.9 | -179.8 | 74 | 170.2 | 3.3 | 111.9 | K283 L284 S290 A291 | K283-R287 PolarHBondContact O-N 3.22Å; K283-R287 VanDerWaalsContact O-N 3.11Å; L284-R287 PolarHBondContact O-N 3.3Å; R287-S290 PolarHBondContact O-N 2.68Å; R287-A291 WeakPolarHBondContact O-CB 3.5Å; R287-A291 PolarHBondContact O-N 3.03Å |
| 288 | L | 78 | Confident | 74.5 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 178.9 | -155 | 86.1 | 0 | 0 | 0 | 111.6 | L284 T285 R292 | L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 PolarHBondContact O-N 2.77Å; T285-L288 WeakPolarHBondContact O-CB 3.49Å; T285-L288 PolarHBondContact O-N 3.49Å; L288-R292 WeakPolarHBondContact O-CB 3.49Å; L288-R292 VanDerWaalsContact O-CG 3.28Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-N 2.81Å |
| 289 | N | 79.7 | Confident | 75.8 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 176 | -72.2 | -24.4 | 0 | 0 | 0 | 111.8 | T285 R292 H293 | T285-N289 WeakPolarHBondContact O-CB 3.04Å; T285-N289 VanDerWaalsContact O-CG 3.27Å; T285-N289 PolarHBondContact O-N 3.39Å; T285-N289 PolarHBondContact O-ND2 3.43Å; N289-R292 PolarHBondContact O-N 3.2Å; N289-H293 PolarHBondContact O-N 2.82Å |
| 290 | S | 80.7 | Confident | 76.6 | Confident | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 174.4 | -59 | 0 | 0 | 0 | 0 | 111.7 | D286 R287 H293 L294 | D286-S290 VanDerWaalsContact O-CB 3.3Å; D286-S290 WeakPolarHBondContact O-CB 3.33Å; D286-S290 PolarHBondContact O-N 2.77Å; D286-S290 PolarHBondContact O-OG 3.37Å; R287-S290 PolarHBondContact O-N 2.68Å; S290-H293 PolarHBondContact O-N 2.98Å; S290-L294 PolarHBondContact O-N 2.95Å |
| 291 | A | 77.7 | Confident | 77.7 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R287 H293 L294 I295 | R287-A291 WeakPolarHBondContact O-CB 3.5Å; R287-A291 PolarHBondContact O-N 3.03Å; A291-H293 VanDerWaalsContact C-N 3.35Å; A291-L294 PolarHBondContact O-N 3.26Å; A291-I295 WeakPolarHBondContact O-CD1 3.46Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.48Å; A291-I295 PolarHBondContact O-N 3.32Å |
| 292 | R | 81.7 | Confident | 79 | Confident | 158 Ų | 158 | 100.9 Ų | 100.9 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 172.2 | -79.4 | 172.6 | 166.9 | -167 | -5.5 | 112.3 | L288 N289 I295 L296 | L288-R292 WeakPolarHBondContact O-CB 3.49Å; L288-R292 VanDerWaalsContact O-CG 3.28Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-N 2.81Å; N289-R292 PolarHBondContact O-N 3.2Å; R292-I295 PolarHBondContact O-N 2.8Å; R292-L296 WeakPolarHBondContact O-CG 3.24Å; R292-L296 PolarHBondContact O-N 3.46Å |
| 293 | H | 80 | Confident | 79.5 | Confident | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 174.8 | -111.8 | -71.9 | 0 | 0 | 0 | 112.1 | N289 S290 A291 I295 L296 E297 | N289-H293 PolarHBondContact O-N 2.82Å; S290-H293 PolarHBondContact O-N 2.98Å; A291-H293 VanDerWaalsContact C-N 3.35Å; H293-I295 PolarHBondContact O-N 2.94Å; H293-L296 WeakPolarHBondContact O-CB 3.41Å; H293-L296 PolarHBondContact O-N 2.82Å; H293-E297 PolarHBondContact O-N 2.95Å |
| 294 | L | 81.4 | Confident | 80.1 | Confident | 102 Ų | 102 | 105.4 Ų | 105.4 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 176 | -109.8 | 160 | 0 | 0 | 0 | 112.5 | S290 A291 L296 E297 L298 | S290-L294 PolarHBondContact O-N 2.95Å; A291-L294 PolarHBondContact O-N 3.26Å; L294-L296 VanDerWaalsContact C-N 3.33Å; L294-L296 PolarHBondContact O-N 3.17Å; L294-E297 PolarHBondContact O-N 3.4Å; L294-L298 WeakPolarHBondContact O-CB 3.4Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 2.94Å |
| 295 | I | 82.1 | Confident | 80.7 | Confident | 118 Ų | 118 | 103 Ų | 103 | 61% | 0.605 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 174.4 | -70.5 | 161.5 | 0 | 0 | 0 | 111.1 | A291 R292 H293 G299 | A291-I295 WeakPolarHBondContact O-CD1 3.46Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.48Å; A291-I295 PolarHBondContact O-N 3.32Å; R292-I295 PolarHBondContact O-N 2.8Å; H293-I295 PolarHBondContact O-N 2.94Å; I295-G299 PolarHBondContact O-N 3.06Å |
| 296 | L | 81.3 | Confident | 81.2 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.4 | -38.5 | 174.8 | -75.7 | 167.3 | 0 | 0 | 0 | 112.6 | R292 H293 L294 G299 N300 | R292-L296 WeakPolarHBondContact O-CG 3.24Å; R292-L296 PolarHBondContact O-N 3.46Å; H293-L296 WeakPolarHBondContact O-CB 3.41Å; H293-L296 PolarHBondContact O-N 2.82Å; L294-L296 VanDerWaalsContact C-N 3.33Å; L294-L296 PolarHBondContact O-N 3.17Å; L296-G299 PolarHBondContact O-N 3.39Å; L296-N300 WeakPolarHBondContact O-CB 3.27Å; L296-N300 VanDerWaalsContact O-CG 3.27Å; L296-N300 PolarHBondContact O-N 2.8Å; L296-N300 PolarHBondContact O-ND2 3.3Å |
| 297 | E | 80.4 | Confident | 81.6 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -45.9 | 174.4 | -75 | -174.7 | 159.7 | 0 | 0 | 111.7 | H293 L294 G299 N300 E301 | H293-E297 PolarHBondContact O-N 2.95Å; L294-E297 PolarHBondContact O-N 3.4Å; E297-G299 VanDerWaalsContact C-N 3.33Å; E297-G299 PolarHBondContact O-N 2.93Å; E297-N300 PolarHBondContact O-N 2.96Å; E297-E301 WeakPolarHBondContact O-CB 3.23Å; E297-E301 PolarHBondContact O-N 2.83Å |
| 298 | L | 81.4 | Confident | 82.2 | Confident | 117 Ų | 117 | 102 Ų | 102 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 174.4 | -71.8 | 169.3 | 0 | 0 | 0 | 112.2 | L294 E301 K302 | L294-L298 WeakPolarHBondContact O-CB 3.4Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 2.94Å; L298-E301 PolarHBondContact O-N 3.15Å; L298-K302 WeakPolarHBondContact O-CB 3.42Å; L298-K302 PolarHBondContact O-N 2.83Å |
| 299 | G | 84.3 | Confident | 82.5 | Confident | 26 Ų | 26 | 101.1 Ų | 101.1 | 27% | 0.268 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | I295 L296 E297 L303 | I295-G299 PolarHBondContact O-N 3.06Å; L296-G299 PolarHBondContact O-N 3.39Å; E297-G299 VanDerWaalsContact C-N 3.33Å; E297-G299 PolarHBondContact O-N 2.93Å; G299-L303 WeakPolarHBondContact O-CB 3.5Å; G299-L303 WeakPolarHBondContact O-CG 3.24Å; G299-L303 PolarHBondContact O-N 2.9Å |
| 300 | N | 82.6 | Confident | 82.8 | Confident | 89 Ų | 89 | 100.5 Ų | 100.5 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 175.9 | -78.3 | -42 | 0 | 0 | 0 | 112.6 | L296 E297 L303 R304 | L296-N300 WeakPolarHBondContact O-CB 3.27Å; L296-N300 VanDerWaalsContact O-CG 3.27Å; L296-N300 PolarHBondContact O-N 2.8Å; L296-N300 PolarHBondContact O-ND2 3.3Å; E297-N300 PolarHBondContact O-N 2.96Å; N300-L303 WeakPolarHBondContact O-CB 3.48Å; N300-L303 PolarHBondContact O-N 3.1Å; N300-R304 PolarHBondContact O-N 3.02Å |
| 301 | E | 81.5 | Confident | 82.9 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -39.5 | 176.8 | -160.3 | 58 | -146.6 | 0 | 0 | 110.9 | E297 L298 L303 R304 T305 | E297-E301 WeakPolarHBondContact O-CB 3.23Å; E297-E301 PolarHBondContact O-N 2.83Å; L298-E301 PolarHBondContact O-N 3.15Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 2.66Å; E301-R304 WeakPolarHBondContact O-CA 3.29Å; E301-R304 WeakPolarHBondContact O-CB 3.19Å; E301-R304 PolarHBondContact O-N 3.35Å; E301-R304 WeakPolarHBondContact OE2-CD 3.36Å; E301-R304 IonicContact OE2-CZ 2.78Å; E301-R304 IonicContact OE2-NE 3.21Å; E301-R304 IonicContact OE2-NH1 2.66Å; E301-R304 PolarHBondContact OE2-NH1 2.85Å; E301-T305 PolarHBondContact O-N 2.95Å; E301-T305 PolarHBondContact O-OG1 3Å |
| 302 | K | 86 | Confident | 83.1 | Confident | 134 Ų | 134 | 102.9 Ų | 102.9 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.9 | -44 | 169.1 | -174.2 | 178 | 177.7 | -177.6 | 0 | 111.8 | L298 R304 T305 D306 | L298-K302 WeakPolarHBondContact O-CB 3.42Å; L298-K302 PolarHBondContact O-N 2.83Å; K302-R304 VanDerWaalsContact C-N 3.29Å; K302-R304 PolarHBondContact O-N 2.74Å; K302-T305 WeakPolarHBondContact CA-OG1 3.41Å; K302-T305 PolarHBondContact O-N 3.19Å; K302-T305 PolarHBondContact O-OG1 3.41Å; K302-D306 WeakPolarHBondContact O-CB 3.45Å; K302-D306 VanDerWaalsContact O-CG 3.24Å; K302-D306 PolarHBondContact O-N 2.96Å |
| 303 | L | 83.9 | Confident | 83.3 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -29.6 | 174.1 | -82.3 | 161.8 | 0 | 0 | 0 | 113.5 | G299 N300 E301 K307 | G299-L303 WeakPolarHBondContact O-CB 3.5Å; G299-L303 WeakPolarHBondContact O-CG 3.24Å; G299-L303 PolarHBondContact O-N 2.9Å; N300-L303 WeakPolarHBondContact O-CB 3.48Å; N300-L303 PolarHBondContact O-N 3.1Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 2.66Å; L303-K307 WeakPolarHBondContact O-CB 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.38Å; L303-K307 PolarHBondContact O-N 3.37Å |
| 304 | R | 83.7 | Confident | 83.4 | Confident | 163 Ų | 163 | 98.5 Ų | 98.5 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -73.1 | -45.4 | 171.5 | -74.2 | 177.4 | -178.6 | 147.5 | -2.3 | 111.6 | N300 E301 K302 D306 K307 L308 | N300-R304 PolarHBondContact O-N 3.02Å; E301-R304 WeakPolarHBondContact O-CA 3.29Å; E301-R304 WeakPolarHBondContact O-CB 3.19Å; E301-R304 PolarHBondContact O-N 3.35Å; E301-R304 WeakPolarHBondContact OE2-CD 3.36Å; E301-R304 IonicContact OE2-CZ 2.78Å; E301-R304 IonicContact OE2-NE 3.21Å; E301-R304 IonicContact OE2-NH1 2.66Å; E301-R304 PolarHBondContact OE2-NH1 2.85Å; K302-R304 VanDerWaalsContact C-N 3.29Å; K302-R304 PolarHBondContact O-N 2.74Å; R304-D306 VanDerWaalsContact C-N 3.35Å; R304-D306 PolarHBondContact O-N 3.18Å; R304-K307 PolarHBondContact O-N 3.45Å; R304-L308 PolarHBondContact O-N 3.32Å |
| 305 | T | 82.6 | Confident | 83.5 | Confident | 60 Ų | 60 | 96.5 Ų | 96.5 | 37% | 0.368 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.1 | 55 | 0 | 0 | 0 | 0 | 111.3 | E301 K302 K307 L308 I309 | E301-T305 PolarHBondContact O-N 2.95Å; E301-T305 PolarHBondContact O-OG1 3Å; K302-T305 WeakPolarHBondContact CA-OG1 3.41Å; K302-T305 PolarHBondContact O-N 3.19Å; K302-T305 PolarHBondContact O-OG1 3.41Å; T305-K307 VanDerWaalsContact C-N 3.34Å; T305-K307 PolarHBondContact O-N 2.74Å; T305-L308 PolarHBondContact O-N 2.98Å; T305-I309 WeakPolarHBondContact O-CB 3.42Å; T305-I309 WeakPolarHBondContact O-CD1 3.46Å; T305-I309 VanDerWaalsContact O-CG1 3.23Å; T305-I309 WeakPolarHBondContact O-CG1 3.28Å; T305-I309 PolarHBondContact O-N 2.87Å |
| 306 | D | 86.7 | Confident | 83.6 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 177.2 | -71 | -20.4 | 0 | 0 | 0 | 111.5 | K302 R304 A310 | K302-D306 WeakPolarHBondContact O-CB 3.45Å; K302-D306 VanDerWaalsContact O-CG 3.24Å; K302-D306 PolarHBondContact O-N 2.96Å; R304-D306 VanDerWaalsContact C-N 3.35Å; R304-D306 PolarHBondContact O-N 3.18Å; D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.42Å; D306-A310 PolarHBondContact O-N 3.01Å |
| 307 | K | 85.3 | Confident | 83.8 | Confident | 158 Ų | 158 | 97 Ų | 97 | 69% | 0.687 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -40.2 | 171.3 | -82.9 | -179.2 | 177.5 | 178.3 | 0 | 113.1 | L303 R304 T305 A310 S311 | L303-K307 WeakPolarHBondContact O-CB 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.38Å; L303-K307 PolarHBondContact O-N 3.37Å; R304-K307 PolarHBondContact O-N 3.45Å; T305-K307 VanDerWaalsContact C-N 3.34Å; T305-K307 PolarHBondContact O-N 2.74Å; K307-A310 PolarHBondContact O-N 3.26Å; K307-S311 WeakPolarHBondContact O-CB 3.27Å; K307-S311 PolarHBondContact O-N 3.45Å |
| 308 | L | 84.6 | Confident | 84.1 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -46.3 | 176.5 | -173.5 | 68.5 | 0 | 0 | 0 | 110.6 | R304 T305 A310 S311 M312 | R304-L308 PolarHBondContact O-N 3.32Å; T305-L308 PolarHBondContact O-N 2.98Å; L308-A310 PolarHBondContact O-N 3.44Å; L308-S311 WeakPolarHBondContact O-CB 3.43Å; L308-S311 PolarHBondContact O-N 3.48Å; L308-M312 HydrophobicContact CG-SD 4.4Å; L308-M312 WeakPolarHBondContact O-CG 3.44Å; L308-M312 PolarHBondContact O-N 3.1Å |
| 309 | I | 85.1 | Confident | 84.1 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176 | -68.4 | 163.8 | 0 | 0 | 0 | 110.8 | T305 M312 K313 | T305-I309 WeakPolarHBondContact O-CB 3.42Å; T305-I309 WeakPolarHBondContact O-CD1 3.46Å; T305-I309 VanDerWaalsContact O-CG1 3.23Å; T305-I309 WeakPolarHBondContact O-CG1 3.28Å; T305-I309 PolarHBondContact O-N 2.87Å; I309-M312 PolarHBondContact O-N 3.38Å; I309-K313 HydrophobicContact CG2-CD 4.26Å; I309-K313 WeakPolarHBondContact O-CB 3.43Å; I309-K313 WeakPolarHBondContact O-CG 3.41Å; I309-K313 PolarHBondContact O-N 3.34Å |
| 310 | A | 85.2 | Confident | 84.2 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D306 K307 L308 S314 | D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.42Å; D306-A310 PolarHBondContact O-N 3.01Å; K307-A310 PolarHBondContact O-N 3.26Å; L308-A310 PolarHBondContact O-N 3.44Å; A310-S314 WeakPolarHBondContact O-CB 3.1Å; A310-S314 PolarHBondContact O-N 3.36Å |
| 311 | S | 83.2 | Confident | 84.3 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 49% | 0.49 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 174.3 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | K307 L308 S314 T315 | K307-S311 WeakPolarHBondContact O-CB 3.27Å; K307-S311 PolarHBondContact O-N 3.45Å; L308-S311 WeakPolarHBondContact O-CB 3.43Å; L308-S311 PolarHBondContact O-N 3.48Å; S311-S314 PolarHBondContact O-N 2.75Å; S311-T315 PolarHBondContact O-N 3.47Å; S311-T315 PolarHBondContact O-OG1 3.39Å |
| 312 | M | 81.5 | Confident | 84.4 | Confident | 98 Ų | 98 | 98.5 Ų | 98.5 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.6 | -72 | 178.9 | 68.5 | 0 | 0 | 112.5 | L308 I309 S314 T315 H316 | L308-M312 HydrophobicContact CG-SD 4.4Å; L308-M312 WeakPolarHBondContact O-CG 3.44Å; L308-M312 PolarHBondContact O-N 3.1Å; I309-M312 PolarHBondContact O-N 3.38Å; M312-S314 VanDerWaalsContact C-N 3.34Å; M312-T315 WeakPolarHBondContact CA-OG1 3.27Å; M312-T315 PolarHBondContact O-N 3.04Å; M312-T315 PolarHBondContact O-OG1 2.83Å; M312-H316 PolarHBondContact O-N 3.22Å |
| 313 | K | 85.6 | Confident | 84.2 | Confident | 145 Ų | 145 | 97 Ų | 97 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 172.2 | -76.1 | -179.7 | 177.2 | -175.9 | 0 | 111.3 | I309 T315 H316 E317 | I309-K313 HydrophobicContact CG2-CD 4.26Å; I309-K313 WeakPolarHBondContact O-CB 3.43Å; I309-K313 WeakPolarHBondContact O-CG 3.41Å; I309-K313 PolarHBondContact O-N 3.34Å; K313-T315 PolarHBondContact O-N 3.16Å; K313-H316 PolarHBondContact O-N 2.73Å; K313-E317 VanDerWaalsContact O-CB 3.31Å; K313-E317 WeakPolarHBondContact O-CB 3.3Å; K313-E317 PolarHBondContact O-N 3.41Å |
| 314 | S | 82.9 | Confident | 84.4 | Confident | 49 Ų | 49 | 98.9 Ų | 98.9 | 34% | 0.343 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -30.6 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 113.7 | A310 S311 M312 K318 | A310-S314 WeakPolarHBondContact O-CB 3.1Å; A310-S314 PolarHBondContact O-N 3.36Å; S311-S314 PolarHBondContact O-N 2.75Å; M312-S314 VanDerWaalsContact C-N 3.34Å; S314-K318 WeakPolarHBondContact O-CD 3.22Å; S314-K318 VanDerWaalsContact O-CG 3.32Å; S314-K318 WeakPolarHBondContact O-CG 3.49Å; S314-K318 PolarHBondContact O-N 3.32Å |
| 315 | T | 83.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 96.4 Ų | 96.4 | 36% | 0.362 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73 | -46.8 | 172.6 | 48 | 0 | 0 | 0 | 0 | 111.5 | S311 M312 K313 E317 K318 E319 | S311-T315 PolarHBondContact O-N 3.47Å; S311-T315 PolarHBondContact O-OG1 3.39Å; M312-T315 WeakPolarHBondContact CA-OG1 3.27Å; M312-T315 PolarHBondContact O-N 3.04Å; M312-T315 PolarHBondContact O-OG1 2.83Å; K313-T315 PolarHBondContact O-N 3.16Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.43Å; T315-K318 WeakPolarHBondContact O-CB 3.32Å; T315-K318 PolarHBondContact O-N 3.01Å; T315-E319 WeakPolarHBondContact O-CG 3.42Å; T315-E319 PolarHBondContact O-N 3.15Å |
| 316 | H | 84.4 | Confident | 84.6 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 47% | 0.468 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.1 | -69.8 | -179.9 | 0 | 0 | 0 | 112.4 | M312 K313 K318 E319 I320 | M312-H316 PolarHBondContact O-N 3.22Å; K313-H316 PolarHBondContact O-N 2.73Å; H316-K318 VanDerWaalsContact C-N 3.31Å; H316-K318 PolarHBondContact O-N 2.89Å; H316-E319 IonicContact CD2-OE2 3.28Å; H316-E319 PolarHBondContact O-N 3.35Å; H316-I320 WeakPolarHBondContact O-CB 3.37Å; H316-I320 VanDerWaalsContact O-CG1 3.24Å; H316-I320 WeakPolarHBondContact O-CG1 3.35Å; H316-I320 PolarHBondContact O-N 3.26Å |
| 317 | E | 85.7 | Confident | 84.4 | Confident | 134 Ų | 134 | 99.1 Ų | 99.1 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -33.6 | 178 | -169.7 | 171.9 | -149.5 | 0 | 0 | 112.4 | K313 T315 S321 | K313-E317 VanDerWaalsContact O-CB 3.31Å; K313-E317 WeakPolarHBondContact O-CB 3.3Å; K313-E317 PolarHBondContact O-N 3.41Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.43Å; E317-S321 WeakPolarHBondContact O-CB 3.47Å; E317-S321 PolarHBondContact O-N 3.45Å; E317-S321 PolarHBondContact O-OG 3.15Å |
| 318 | K | 86 | Confident | 84.4 | Confident | 139 Ų | 139 | 96.4 Ų | 96.4 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.3 | -39.3 | 171.5 | -72.7 | 168 | -175 | 162.7 | 0 | 112.5 | S314 T315 H316 S321 A322 | S314-K318 WeakPolarHBondContact O-CD 3.22Å; S314-K318 VanDerWaalsContact O-CG 3.32Å; S314-K318 WeakPolarHBondContact O-CG 3.49Å; S314-K318 PolarHBondContact O-N 3.32Å; T315-K318 WeakPolarHBondContact O-CB 3.32Å; T315-K318 PolarHBondContact O-N 3.01Å; H316-K318 VanDerWaalsContact C-N 3.31Å; H316-K318 PolarHBondContact O-N 2.89Å; K318-S321 PolarHBondContact O-N 2.83Å; K318-A322 WeakPolarHBondContact O-CB 3.26Å; K318-A322 PolarHBondContact O-N 3.35Å |
| 319 | E | 82.6 | Confident | 84.4 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 176.7 | -73.2 | 167.2 | 178.5 | 0 | 0 | 111.4 | T315 H316 S321 A322 L323 | T315-E319 WeakPolarHBondContact O-CG 3.42Å; T315-E319 PolarHBondContact O-N 3.15Å; H316-E319 IonicContact CD2-OE2 3.28Å; H316-E319 PolarHBondContact O-N 3.35Å; E319-S321 VanDerWaalsContact C-N 3.34Å; E319-S321 PolarHBondContact O-N 3.01Å; E319-A322 PolarHBondContact O-N 2.9Å; E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 WeakPolarHBondContact O-CG 3.16Å; E319-L323 PolarHBondContact O-N 3.33Å |
| 320 | I | 85.1 | Confident | 84.3 | Confident | 116 Ų | 116 | 97.6 Ų | 97.6 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 172.6 | -69.6 | 165.9 | 0 | 0 | 0 | 110.6 | H316 L323 K324 | H316-I320 WeakPolarHBondContact O-CB 3.37Å; H316-I320 VanDerWaalsContact O-CG1 3.24Å; H316-I320 WeakPolarHBondContact O-CG1 3.35Å; H316-I320 PolarHBondContact O-N 3.26Å; I320-L323 PolarHBondContact O-N 3.11Å; I320-K324 WeakPolarHBondContact O-CB 3.28Å; I320-K324 PolarHBondContact O-N 3.35Å |
| 321 | S | 84.9 | Confident | 84.2 | Confident | 65 Ų | 65 | 100.8 Ų | 100.8 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 112 | E317 K318 E319 L323 K324 D325 | E317-S321 WeakPolarHBondContact O-CB 3.47Å; E317-S321 PolarHBondContact O-N 3.45Å; E317-S321 PolarHBondContact O-OG 3.15Å; K318-S321 PolarHBondContact O-N 2.83Å; E319-S321 VanDerWaalsContact C-N 3.34Å; E319-S321 PolarHBondContact O-N 3.01Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.25Å; S321-K324 PolarHBondContact O-N 2.97Å; S321-D325 PolarHBondContact O-N 3.41Å |
| 322 | A | 83.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 100.5 Ų | 100.5 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -28.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K318 E319 K326 | K318-A322 WeakPolarHBondContact O-CB 3.26Å; K318-A322 PolarHBondContact O-N 3.35Å; E319-A322 PolarHBondContact O-N 2.9Å; A322-K326 VanDerWaalsContact O-CG 3.31Å; A322-K326 WeakPolarHBondContact O-CG 3.44Å; A322-K326 PolarHBondContact O-N 3.28Å |
| 323 | L | 82.2 | Confident | 84.2 | Confident | 102 Ų | 102 | 101.9 Ų | 101.9 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.1 | -39 | 170.5 | -75.3 | 168.3 | 0 | 0 | 0 | 111.3 | E319 I320 S321 K326 C327 | E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 WeakPolarHBondContact O-CG 3.16Å; E319-L323 PolarHBondContact O-N 3.33Å; I320-L323 PolarHBondContact O-N 3.11Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.25Å; L323-K326 WeakPolarHBondContact O-CB 3.38Å; L323-K326 PolarHBondContact O-N 2.87Å; L323-C327 PolarHBondContact O-N 2.83Å; L323-C327 PolarHBondContact O-SG 3.36Å |
| 324 | K | 87.7 | Confident | 83.9 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -48.1 | 174.5 | -173.5 | 176.5 | 175.4 | -176.2 | 0 | 111.8 | I320 S321 K326 C327 E328 | I320-K324 WeakPolarHBondContact O-CB 3.28Å; I320-K324 PolarHBondContact O-N 3.35Å; S321-K324 PolarHBondContact O-N 2.97Å; K324-K326 PolarHBondContact O-N 3.15Å; K324-C327 PolarHBondContact O-N 3.45Å; K324-E328 WeakPolarHBondContact CE-OE1 3.28Å; K324-E328 IonicContact NZ-OE1 3.7Å; K324-E328 PolarHBondContact O-N 3.47Å |
| 325 | D | 85.4 | Confident | 83.8 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 60% | 0.599 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.5 | -33.6 | 174.1 | -78.8 | 6.3 | 0 | 0 | 0 | 112.2 | S321 L329 | S321-D325 PolarHBondContact O-N 3.41Å; D325-L329 WeakPolarHBondContact O-CB 3.39Å; D325-L329 PolarHBondContact O-N 3.3Å |
| 326 | K | 85.6 | Confident | 83.8 | Confident | 128 Ų | 128 | 106.9 Ų | 106.9 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.4 | -38.5 | 174.7 | -75.6 | 173.2 | 179.4 | -177.2 | 0 | 112.7 | A322 L323 K324 L329 I330 | A322-K326 VanDerWaalsContact O-CG 3.31Å; A322-K326 WeakPolarHBondContact O-CG 3.44Å; A322-K326 PolarHBondContact O-N 3.28Å; L323-K326 WeakPolarHBondContact O-CB 3.38Å; L323-K326 PolarHBondContact O-N 2.87Å; K324-K326 PolarHBondContact O-N 3.15Å; K326-L329 PolarHBondContact O-N 3.04Å; K326-I330 VanDerWaalsContact O-CG1 3.31Å; K326-I330 WeakPolarHBondContact O-CG1 3.45Å; K326-I330 PolarHBondContact O-N 3.38Å |
| 327 | C | 81.9 | Confident | 83.4 | Confident | 67 Ų | 67 | 107.2 Ų | 107.2 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 176.1 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | L323 K324 L329 I330 E331 | L323-C327 PolarHBondContact O-N 2.83Å; L323-C327 PolarHBondContact O-SG 3.36Å; K324-C327 PolarHBondContact O-N 3.45Å; C327-L329 PolarHBondContact O-N 3.23Å; C327-I330 PolarHBondContact O-N 3.47Å; C327-I330 VanDerWaalsContact O-N 3.08Å; C327-E331 WeakPolarHBondContact O-CG 3.48Å; C327-E331 PolarHBondContact O-N 3.21Å |
| 328 | E | 85.2 | Confident | 83.2 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.1 | -33.9 | 175.8 | -69 | -178.4 | -166.6 | 0 | 0 | 112.2 | K324 A332 | K324-E328 WeakPolarHBondContact CE-OE1 3.28Å; K324-E328 IonicContact NZ-OE1 3.7Å; K324-E328 PolarHBondContact O-N 3.47Å; E328-A332 WeakPolarHBondContact O-CB 3.33Å; E328-A332 PolarHBondContact O-N 2.81Å; E328-A332 VanDerWaalsContact O-N 3.09Å |
| 329 | L | 85.5 | Confident | 83.1 | Confident | 113 Ų | 113 | 104.9 Ų | 104.9 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.4 | -40.9 | 173.7 | -177 | 64.5 | 0 | 0 | 0 | 112.6 | D325 K326 C327 A332 Q333 | D325-L329 WeakPolarHBondContact O-CB 3.39Å; D325-L329 PolarHBondContact O-N 3.3Å; K326-L329 PolarHBondContact O-N 3.04Å; C327-L329 PolarHBondContact O-N 3.23Å; L329-A332 PolarHBondContact O-N 3.49Å; L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 2.91Å |
| 330 | I | 82.1 | Confident | 83 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 177.5 | -70.4 | 165 | 0 | 0 | 0 | 110.6 | K326 C327 A332 Q333 L334 | K326-I330 VanDerWaalsContact O-CG1 3.31Å; K326-I330 WeakPolarHBondContact O-CG1 3.45Å; K326-I330 PolarHBondContact O-N 3.38Å; C327-I330 PolarHBondContact O-N 3.47Å; C327-I330 VanDerWaalsContact O-N 3.08Å; I330-A332 PolarHBondContact O-N 3.25Å; I330-Q333 PolarHBondContact O-N 3.48Å; I330-Q333 VanDerWaalsContact O-N 3.16Å; I330-L334 HydrophobicContact CG2-CD1 4.16Å; I330-L334 PolarHBondContact O-N 3.01Å |
| 331 | E | 84 | Confident | 82.7 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 174.4 | -73.3 | 175.5 | -175 | 0 | 0 | 111.9 | C327 Q333 L334 M335 | C327-E331 WeakPolarHBondContact O-CG 3.48Å; C327-E331 PolarHBondContact O-N 3.21Å; E331-Q333 VanDerWaalsContact C-N 3.26Å; E331-Q333 PolarHBondContact O-N 3.19Å; E331-L334 PolarHBondContact O-N 2.88Å; E331-M335 WeakPolarHBondContact O-CG 3.36Å; E331-M335 PolarHBondContact O-N 3.28Å |
| 332 | A | 84 | Confident | 82.7 | Confident | 63 Ų | 63 | 105 Ų | 105 | 52% | 0.521 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -31.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E328 L329 I330 K336 | E328-A332 WeakPolarHBondContact O-CB 3.33Å; E328-A332 PolarHBondContact O-N 2.81Å; E328-A332 VanDerWaalsContact O-N 3.09Å; L329-A332 PolarHBondContact O-N 3.49Å; I330-A332 PolarHBondContact O-N 3.25Å; A332-K336 PolarHBondContact O-N 2.9Å |
| 333 | Q | 79.9 | Confident | 82.7 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.4 | -42.2 | 177.1 | -167.2 | 160.6 | -26.2 | 0 | 0 | 111.6 | L329 I330 E331 K336 E337 | L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 2.91Å; I330-Q333 PolarHBondContact O-N 3.48Å; I330-Q333 VanDerWaalsContact O-N 3.16Å; E331-Q333 VanDerWaalsContact C-N 3.26Å; E331-Q333 PolarHBondContact O-N 3.19Å; Q333-K336 PolarHBondContact O-N 3.46Å; Q333-E337 PolarHBondContact O-N 3.38Å |
| 334 | L | 79.1 | Confident | 82.5 | Confident | 88 Ų | 88 | 105.3 Ų | 105.3 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 171.8 | -95.4 | 160.3 | 0 | 0 | 0 | 112.6 | I330 E331 K336 E337 N338 | I330-L334 HydrophobicContact CG2-CD1 4.16Å; I330-L334 PolarHBondContact O-N 3.01Å; E331-L334 PolarHBondContact O-N 2.88Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 2.84Å; L334-E337 PolarHBondContact O-N 3.46Å; L334-N338 WeakPolarHBondContact O-CB 3.4Å; L334-N338 PolarHBondContact O-N 3.31Å |
| 335 | M | 81 | Confident | 82.2 | Confident | 136 Ų | 136 | 104 Ų | 104 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -37 | 176.9 | -72.1 | -69.1 | -82.9 | 0 | 0 | 112.2 | E331 Q339 | E331-M335 WeakPolarHBondContact O-CG 3.36Å; E331-M335 PolarHBondContact O-N 3.28Å; M335-Q339 PolarHBondContact O-N 3.2Å; M335-Q339 VanDerWaalsContact O-N 3.13Å |
| 336 | K | 83.7 | Confident | 82 | Confident | 133 Ų | 133 | 101.5 Ų | 101.5 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.6 | -38.7 | 175 | -170 | -175 | 176.6 | -166.4 | 0 | 112 | A332 Q333 L334 Q339 L340 | A332-K336 PolarHBondContact O-N 2.9Å; Q333-K336 PolarHBondContact O-N 3.46Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 2.84Å; K336-Q339 PolarHBondContact O-N 2.71Å; K336-L340 WeakPolarHBondContact O-CB 3.2Å; K336-L340 PolarHBondContact O-N 2.9Å; K336-L340 VanDerWaalsContact O-N 3.1Å |
| 337 | E | 76.5 | Confident | 81.9 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.9 | -169.1 | 169.3 | 173.9 | 0 | 0 | 111.5 | Q333 L334 Q339 L340 N341 | Q333-E337 PolarHBondContact O-N 3.38Å; L334-E337 PolarHBondContact O-N 3.46Å; E337-Q339 VanDerWaalsContact C-N 3.34Å; E337-Q339 PolarHBondContact O-N 3.02Å; E337-L340 PolarHBondContact O-N 3.39Å; E337-N341 WeakPolarHBondContact O-CB 3.4Å; E337-N341 VanDerWaalsContact O-CG 3.27Å; E337-N341 PolarHBondContact O-N 2.73Å; E337-N341 PolarHBondContact O-ND2 2.9Å |
| 338 | N | 82.7 | Confident | 81.9 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 173.7 | -75.8 | -20.8 | 0 | 0 | 0 | 112.8 | L334 N341 H342 | L334-N338 WeakPolarHBondContact O-CB 3.4Å; L334-N338 PolarHBondContact O-N 3.31Å; N338-N341 PolarHBondContact O-N 2.81Å; N338-H342 PolarHBondContact O-N 3.47Å |
| 339 | Q | 82.5 | Confident | 81.9 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 175.8 | -170.4 | 165.8 | 14.6 | 0 | 0 | 112 | M335 K336 E337 H342 E343 | M335-Q339 PolarHBondContact O-N 3.2Å; M335-Q339 VanDerWaalsContact O-N 3.13Å; K336-Q339 PolarHBondContact O-N 2.71Å; E337-Q339 VanDerWaalsContact C-N 3.34Å; E337-Q339 PolarHBondContact O-N 3.02Å; Q339-H342 PolarHBondContact O-N 3.43Å; Q339-E343 PolarHBondContact O-N 3.46Å |
| 340 | L | 81 | Confident | 81.8 | Confident | 89 Ų | 89 | 101.2 Ų | 101.2 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 177.6 | -156.8 | 152.9 | 0 | 0 | 0 | 111.8 | K336 E337 E343 E344 | K336-L340 WeakPolarHBondContact O-CB 3.2Å; K336-L340 PolarHBondContact O-N 2.9Å; K336-L340 VanDerWaalsContact O-N 3.1Å; E337-L340 PolarHBondContact O-N 3.39Å; L340-E343 PolarHBondContact O-N 2.76Å; L340-E344 PolarHBondContact O-N 2.73Å |
| 341 | N | 79.7 | Confident | 81.7 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 171.6 | -73.5 | -24.1 | 0 | 0 | 0 | 111.8 | E337 N338 E344 L345 | E337-N341 WeakPolarHBondContact O-CB 3.4Å; E337-N341 VanDerWaalsContact O-CG 3.27Å; E337-N341 PolarHBondContact O-N 2.73Å; E337-N341 PolarHBondContact O-ND2 2.9Å; N338-N341 PolarHBondContact O-N 2.81Å; N341-E344 PolarHBondContact O-N 2.84Å; N341-L345 PolarHBondContact O-N 2.84Å |
| 342 | H | 83.9 | Confident | 81.4 | Confident | 132 Ų | 132 | 97.4 Ų | 97.4 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 175.2 | -161.8 | 46.3 | 0 | 0 | 0 | 111.6 | N338 Q339 E344 L345 S346 | N338-H342 PolarHBondContact O-N 3.47Å; Q339-H342 PolarHBondContact O-N 3.43Å; H342-E344 VanDerWaalsContact C-N 3.32Å; H342-E344 PolarHBondContact O-N 3.09Å; H342-L345 WeakPolarHBondContact O-CB 3.37Å; H342-L345 PolarHBondContact O-N 2.83Å; H342-L345 VanDerWaalsContact O-N 3.13Å; H342-S346 PolarHBondContact O-N 2.71Å; H342-S346 PolarHBondContact O-OG 3.04Å |
| 343 | E | 82.5 | Confident | 81.3 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -25.6 | 172.1 | -71.6 | 178 | -167.5 | 0 | 0 | 114 | Q339 L340 R347 | Q339-E343 PolarHBondContact O-N 3.46Å; L340-E343 PolarHBondContact O-N 2.76Å; E343-R347 PolarHBondContact O-NE 2.89Å |
| 344 | E | 79.9 | Confident | 81.5 | Confident | 48 Ų | 48 | 98.3 Ų | 98.3 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -78.6 | -31 | 168.8 | -170.5 | 171.4 | 154.8 | 0 | 0 | 111.6 | L340 N341 H342 R347 K348 R1806 | L340-E344 PolarHBondContact O-N 2.73Å; N341-E344 PolarHBondContact O-N 2.84Å; H342-E344 VanDerWaalsContact C-N 3.32Å; H342-E344 PolarHBondContact O-N 3.09Å; E344-R347 PolarHBondContact O-N 2.8Å; E344-K348 WeakPolarHBondContact O-CG 3.45Å; E344-K348 PolarHBondContact O-N 3.32Å; E344-K348 VanDerWaalsContact O-N 3.1Å; E344-K348 VanDerWaalsContact OE1-CE 3.27Å; E344-K348 WeakPolarHBondContact OE1-CE 3.41Å; E344-K348 IonicContact OE1-NZ 3.35Å; E344-K348 PolarHBondContact OE1-NZ 3.34Å; E344-R1806 IonicContact OE1-CZ 2.68Å; E344-R1806 IonicContact OE1-NH1 3.1Å; E344-R1806 PolarHBondContact OE1-NH1 3.44Å |
| 345 | L | 80 | Confident | 81.6 | Confident | 98 Ų | 98 | 96.3 Ų | 96.3 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -53 | 175.6 | -130.1 | 113.8 | 0 | 0 | 0 | 111.4 | N341 H342 R347 K348 D349 | N341-L345 PolarHBondContact O-N 2.84Å; H342-L345 WeakPolarHBondContact O-CB 3.37Å; H342-L345 PolarHBondContact O-N 2.83Å; H342-L345 VanDerWaalsContact O-N 3.13Å; L345-R347 PolarHBondContact O-N 3.13Å; L345-R347 VanDerWaalsContact O-N 3.13Å; L345-K348 CarbonylContact O-C 3.48Å; L345-K348 WeakPolarHBondContact O-CA 3.49Å; L345-K348 WeakPolarHBondContact O-CB 3.47Å; L345-K348 PolarHBondContact O-N 2.93Å; L345-D349 PolarHBondContact O-N 2.75Å |
| 346 | S | 81.7 | Confident | 81.7 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 42% | 0.42 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -25.9 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | H342 T350 | H342-S346 PolarHBondContact O-N 2.71Å; H342-S346 PolarHBondContact O-OG 3.04Å; S346-T350 PolarHBondContact O-N 3.42Å; S346-T350 PolarHBondContact O-OG1 2.9Å |
| 347 | R | 82.7 | Confident | 81.7 | Confident | 148 Ų | 148 | 92.1 Ų | 92.1 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -74.5 | -29 | 170.6 | -83.6 | -177.3 | -72.2 | 161.3 | -3.7 | 113.3 | E343 E344 L345 T350 E351 | E343-R347 PolarHBondContact O-NE 2.89Å; E344-R347 PolarHBondContact O-N 2.8Å; L345-R347 PolarHBondContact O-N 3.13Å; L345-R347 VanDerWaalsContact O-N 3.13Å; R347-T350 WeakPolarHBondContact CA-OG1 3.38Å; R347-T350 PolarHBondContact O-OG1 3.02Å; R347-E351 WeakPolarHBondContact O-CB 3.38Å; R347-E351 PolarHBondContact O-N 3.32Å |
| 348 | K | 82.8 | Confident | 81.9 | Confident | 93 Ų | 93 | 89.1 Ų | 89.1 | 40% | 0.404 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -75.4 | -40 | 171.2 | -74.2 | 170.4 | -175.6 | 157.9 | 0 | 111.3 | E344 L345 T350 E351 I352 | E344-K348 WeakPolarHBondContact O-CG 3.45Å; E344-K348 PolarHBondContact O-N 3.32Å; E344-K348 VanDerWaalsContact O-N 3.1Å; E344-K348 VanDerWaalsContact OE1-CE 3.27Å; E344-K348 WeakPolarHBondContact OE1-CE 3.41Å; E344-K348 IonicContact OE1-NZ 3.35Å; E344-K348 PolarHBondContact OE1-NZ 3.34Å; L345-K348 CarbonylContact O-C 3.48Å; L345-K348 WeakPolarHBondContact O-CA 3.49Å; L345-K348 WeakPolarHBondContact O-CB 3.47Å; L345-K348 PolarHBondContact O-N 2.93Å; K348-T350 VanDerWaalsContact C-N 3.34Å; K348-T350 PolarHBondContact O-N 2.82Å; K348-E351 CarbonylContact O-C 3.58Å; K348-E351 PolarHBondContact O-N 3.22Å; K348-E351 VanDerWaalsContact O-N 3.11Å; K348-I352 WeakPolarHBondContact O-CB 3.35Å; K348-I352 VanDerWaalsContact O-CG1 3.25Å; K348-I352 WeakPolarHBondContact O-CG1 3.44Å; K348-I352 PolarHBondContact O-N 2.9Å |
| 349 | D | 84.3 | Confident | 81.8 | Confident | 83 Ų | 83 | 88.7 Ų | 88.7 | 44% | 0.444 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 177.7 | -58.8 | -32.9 | 0 | 0 | 0 | 111.1 | L345 I352 E353 | L345-D349 PolarHBondContact O-N 2.75Å; D349-I352 WeakPolarHBondContact O-CB 3.38Å; D349-I352 PolarHBondContact O-N 3.4Å; D349-E353 PolarHBondContact O-N 2.84Å |
| 350 | T | 84.8 | Confident | 81.7 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.2 | -29.7 | 173.8 | 46.7 | 0 | 0 | 0 | 0 | 113.8 | S346 R347 K348 R354 | S346-T350 PolarHBondContact O-N 3.42Å; S346-T350 PolarHBondContact O-OG1 2.9Å; R347-T350 WeakPolarHBondContact CA-OG1 3.38Å; R347-T350 PolarHBondContact O-OG1 3.02Å; K348-T350 VanDerWaalsContact C-N 3.34Å; K348-T350 PolarHBondContact O-N 2.82Å; T350-R354 PolarHBondContact O-N 3.34Å |
| 351 | E | 78.9 | Confident | 81.8 | Confident | 63 Ų | 63 | 87 Ų | 87 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.5 | -34.1 | 171.1 | -171.8 | 164.3 | -150.8 | 0 | 0 | 112 | R347 K348 R354 L355 S1799 | R347-E351 WeakPolarHBondContact O-CB 3.38Å; R347-E351 PolarHBondContact O-N 3.32Å; K348-E351 CarbonylContact O-C 3.58Å; K348-E351 PolarHBondContact O-N 3.22Å; K348-E351 VanDerWaalsContact O-N 3.11Å; E351-R354 IonicContact OE1-NH2 3.9Å; E351-L355 HydrophobicContact CG-CD1 4.12Å; E351-L355 WeakPolarHBondContact O-CB 3.31Å; E351-L355 WeakPolarHBondContact O-CD1 3.4Å; E351-L355 VanDerWaalsContact O-CG 3.28Å; E351-L355 WeakPolarHBondContact O-CG 3.29Å; E351-L355 PolarHBondContact O-N 2.85Å; E351-S1799 PolarHBondContact OE1-OG 2.84Å |
| 352 | I | 78.2 | Confident | 81.8 | Confident | 84 Ų | 84 | 88.7 Ų | 88.7 | 43% | 0.431 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 173.6 | -71.4 | 162.8 | 0 | 0 | 0 | 110.6 | K348 D349 R354 L355 N356 | K348-I352 WeakPolarHBondContact O-CB 3.35Å; K348-I352 VanDerWaalsContact O-CG1 3.25Å; K348-I352 WeakPolarHBondContact O-CG1 3.44Å; K348-I352 PolarHBondContact O-N 2.9Å; D349-I352 WeakPolarHBondContact O-CB 3.38Å; D349-I352 PolarHBondContact O-N 3.4Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.39Å; I352-L355 CarbonylContact O-C 3.58Å; I352-L355 WeakPolarHBondContact O-CA 3.34Å; I352-L355 WeakPolarHBondContact O-CB 3.38Å; I352-L355 PolarHBondContact O-N 3.28Å; I352-L355 VanDerWaalsContact O-N 3.09Å; I352-N356 PolarHBondContact O-N 3.25Å |
| 353 | E | 81.6 | Confident | 81.7 | Confident | 120 Ų | 120 | 86.2 Ų | 86.2 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 176.6 | -170.4 | 175.9 | -160.5 | 0 | 0 | 111.6 | D349 L355 N356 N357 | D349-E353 PolarHBondContact O-N 2.84Å; E353-L355 PolarHBondContact O-N 3.48Å; E353-N356 PolarHBondContact O-N 2.9Å; E353-N357 PolarHBondContact O-N 3.34Å |
| 354 | R | 84.9 | Confident | 81.7 | Confident | 90 Ų | 90 | 87.4 Ų | 87.4 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 172.7 | -171.5 | -170.7 | 66.9 | 98.1 | -9.7 | 112.9 | T350 E351 I352 Q358 | T350-R354 PolarHBondContact O-N 3.34Å; E351-R354 IonicContact OE1-NH2 3.9Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.39Å; R354-Q358 PolarHBondContact O-N 3.19Å |
| 355 | L | 81 | Confident | 81.8 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 24% | 0.241 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 174.8 | -84.8 | 159.1 | 0 | 0 | 0 | 110.7 | E351 I352 E353 Q358 I359 K1796 | E351-L355 HydrophobicContact CG-CD1 4.12Å; E351-L355 WeakPolarHBondContact O-CB 3.31Å; E351-L355 WeakPolarHBondContact O-CD1 3.4Å; E351-L355 VanDerWaalsContact O-CG 3.28Å; E351-L355 WeakPolarHBondContact O-CG 3.29Å; E351-L355 PolarHBondContact O-N 2.85Å; I352-L355 CarbonylContact O-C 3.58Å; I352-L355 WeakPolarHBondContact O-CA 3.34Å; I352-L355 WeakPolarHBondContact O-CB 3.38Å; I352-L355 PolarHBondContact O-N 3.28Å; I352-L355 VanDerWaalsContact O-N 3.09Å; E353-L355 PolarHBondContact O-N 3.48Å; L355-Q358 CarbonylContact O-C 3.52Å; L355-Q358 PolarHBondContact O-N 3.04Å; L355-I359 WeakPolarHBondContact O-CG1 3.49Å; L355-I359 PolarHBondContact O-N 3.04Å; L355-K1796 HydrophobicContact CD2-CD 4.15Å; L355-K1796 VanDerWaalsContact CD2-CE 3.42Å |
| 356 | N | 82.6 | Confident | 81.9 | Confident | 82 Ų | 82 | 89.9 Ų | 89.9 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 178.1 | -71 | -10.7 | 0 | 0 | 0 | 112 | I352 E353 Q358 I359 N360 | I352-N356 PolarHBondContact O-N 3.25Å; E353-N356 PolarHBondContact O-N 2.9Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 2.98Å; N356-I359 WeakPolarHBondContact O-CB 3.22Å; N356-I359 PolarHBondContact O-N 2.95Å; N356-N360 PolarHBondContact O-N 2.98Å |
| 357 | N | 83.1 | Confident | 81.9 | Confident | 100 Ų | 100 | 91.4 Ų | 91.4 | 54% | 0.535 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 176.7 | -71.8 | -18.1 | 0 | 0 | 0 | 112.5 | E353 E361 | E353-N357 PolarHBondContact O-N 3.34Å; N357-E361 PolarHBondContact O-N 3.27Å; N357-E361 VanDerWaalsContact O-N 3.14Å |
| 358 | Q | 81.6 | Confident | 82 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -79.4 | -20 | 175.8 | -69.2 | -168.8 | -97.4 | 0 | 0 | 113.7 | R354 L355 N356 L362 | R354-Q358 PolarHBondContact O-N 3.19Å; L355-Q358 CarbonylContact O-C 3.52Å; L355-Q358 PolarHBondContact O-N 3.04Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 2.98Å; Q358-L362 WeakPolarHBondContact O-CD1 3.49Å; Q358-L362 VanDerWaalsContact O-CG 3.27Å; Q358-L362 WeakPolarHBondContact O-CG 3.45Å; Q358-L362 PolarHBondContact O-N 3.2Å |
| 359 | I | 79.7 | Confident | 81.7 | Confident | 81 Ų | 81 | 87.5 Ų | 87.5 | 42% | 0.415 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.3 | -44.3 | 168.7 | -73.1 | 164.7 | 0 | 0 | 0 | 109.2 | L355 N356 E361 L362 I363 | L355-I359 WeakPolarHBondContact O-CG1 3.49Å; L355-I359 PolarHBondContact O-N 3.04Å; N356-I359 WeakPolarHBondContact O-CB 3.22Å; N356-I359 PolarHBondContact O-N 2.95Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.21Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 PolarHBondContact O-N 3.2Å; I359-I363 HydrophobicContact CG2-CD1 3.84Å; I359-I363 HydrophobicContact CG2-CG1 4.39Å; I359-I363 WeakPolarHBondContact O-CG1 3.05Å; I359-I363 PolarHBondContact O-N 2.87Å |
| 360 | N | 81.6 | Confident | 81.4 | Confident | 96 Ų | 96 | 87 Ų | 87 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.7 | -65.7 | -12.5 | 0 | 0 | 0 | 111.7 | N356 L362 I363 E364 | N356-N360 PolarHBondContact O-N 2.98Å; N360-L362 VanDerWaalsContact C-N 3.26Å; N360-L362 PolarHBondContact O-N 3.43Å; N360-I363 PolarHBondContact O-N 3.05Å; N360-E364 PolarHBondContact O-N 3.31Å |
| 361 | E | 82.3 | Confident | 81.3 | Confident | 91 Ų | 91 | 86.5 Ų | 86.5 | 43% | 0.425 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.6 | -27.8 | 175 | -159 | -161 | 147.8 | 0 | 0 | 113.1 | N357 I359 K365 | N357-E361 PolarHBondContact O-N 3.27Å; N357-E361 VanDerWaalsContact O-N 3.14Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.21Å; E361-K365 WeakPolarHBondContact O-CD 3.35Å; E361-K365 VanDerWaalsContact O-CG 3.31Å; E361-K365 WeakPolarHBondContact O-CG 3.38Å; E361-K365 PolarHBondContact O-N 2.92Å; E361-K365 IonicContact OE1-NZ 2.88Å; E361-K365 PolarHBondContact OE1-NZ 2.96Å |
| 362 | L | 79.1 | Confident | 81.4 | Confident | 111 Ų | 111 | 87.7 Ų | 87.7 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -80.6 | -32.5 | 173.6 | -75.4 | 169.4 | 0 | 0 | 0 | 112.4 | Q358 I359 N360 K365 L366 | Q358-L362 WeakPolarHBondContact O-CD1 3.49Å; Q358-L362 VanDerWaalsContact O-CG 3.27Å; Q358-L362 WeakPolarHBondContact O-CG 3.45Å; Q358-L362 PolarHBondContact O-N 3.2Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 PolarHBondContact O-N 3.2Å; N360-L362 VanDerWaalsContact C-N 3.26Å; N360-L362 PolarHBondContact O-N 3.43Å; L362-K365 PolarHBondContact O-N 3.14Å; L362-L366 WeakPolarHBondContact O-CB 3.25Å; L362-L366 PolarHBondContact O-N 3.23Å |
| 363 | I | 82.8 | Confident | 81.6 | Confident | 80 Ų | 80 | 92 Ų | 92 | 41% | 0.41 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 172 | -68.8 | 166.6 | 0 | 0 | 0 | 109.7 | I359 N360 K365 L366 D367 | I359-I363 HydrophobicContact CG2-CD1 3.84Å; I359-I363 HydrophobicContact CG2-CG1 4.39Å; I359-I363 WeakPolarHBondContact O-CG1 3.05Å; I359-I363 PolarHBondContact O-N 2.87Å; N360-I363 PolarHBondContact O-N 3.05Å; I363-K365 VanDerWaalsContact C-N 3.27Å; I363-K365 PolarHBondContact O-N 3.05Å; I363-L366 CarbonylContact O-C 3.51Å; I363-L366 WeakPolarHBondContact O-CA 3.33Å; I363-L366 WeakPolarHBondContact O-CB 3.35Å; I363-L366 PolarHBondContact O-N 3.46Å; I363-D367 PolarHBondContact O-N 3.14Å |
| 364 | E | 82.9 | Confident | 81.6 | Confident | 135 Ų | 135 | 92.6 Ų | 92.6 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.3 | -34.3 | 176.3 | -167.6 | 176.7 | -170.1 | 0 | 0 | 112.5 | N360 T368 | N360-E364 PolarHBondContact O-N 3.31Å; E364-T368 WeakPolarHBondContact O-CG2 3.16Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 VanDerWaalsContact O-N 3.1Å; E364-T368 PolarHBondContact O-OG1 2.9Å |
| 365 | K | 82.1 | Confident | 81.5 | Confident | 97 Ų | 97 | 95 Ų | 95 | 42% | 0.422 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.4 | -31.7 | 171.6 | -72.6 | 169 | -167.8 | 165.9 | 0 | 113.2 | E361 L362 I363 T368 S369 | E361-K365 WeakPolarHBondContact O-CD 3.35Å; E361-K365 VanDerWaalsContact O-CG 3.31Å; E361-K365 WeakPolarHBondContact O-CG 3.38Å; E361-K365 PolarHBondContact O-N 2.92Å; E361-K365 IonicContact OE1-NZ 2.88Å; E361-K365 PolarHBondContact OE1-NZ 2.96Å; L362-K365 PolarHBondContact O-N 3.14Å; I363-K365 VanDerWaalsContact C-N 3.27Å; I363-K365 PolarHBondContact O-N 3.05Å; K365-T368 WeakPolarHBondContact CA-OG1 3.23Å; K365-T368 PolarHBondContact O-OG1 3.24Å; K365-T368 VanDerWaalsContact O-OG1 3.14Å; K365-S369 VanDerWaalsContact O-CB 3.31Å; K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 3.42Å |
| 366 | L | 81.1 | Confident | 81.4 | Confident | 100 Ų | 100 | 98.1 Ų | 98.1 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.4 | -45.7 | 174.2 | -177.6 | 61.6 | 0 | 0 | 0 | 110.8 | L362 I363 T368 S369 L370 | L362-L366 WeakPolarHBondContact O-CB 3.25Å; L362-L366 PolarHBondContact O-N 3.23Å; I363-L366 CarbonylContact O-C 3.51Å; I363-L366 WeakPolarHBondContact O-CA 3.33Å; I363-L366 WeakPolarHBondContact O-CB 3.35Å; I363-L366 PolarHBondContact O-N 3.46Å; L366-T368 PolarHBondContact O-N 3.5Å; L366-S369 CarbonylContact O-C 3.6Å; L366-S369 PolarHBondContact O-N 3.21Å; L366-S369 VanDerWaalsContact O-N 3.13Å; L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CD1-CG 4.3Å; L366-L370 HydrophobicContact CG-CD1 4.03Å; L366-L370 HydrophobicContact CG-CG 4.37Å; L366-L370 WeakPolarHBondContact O-CB 3.47Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.26Å; L366-L370 PolarHBondContact O-N 2.6Å |
| 367 | D | 82.1 | Confident | 81.3 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 178.3 | -70.5 | -19.6 | 0 | 0 | 0 | 111.5 | I363 L370 S371 | I363-D367 PolarHBondContact O-N 3.14Å; D367-L370 PolarHBondContact O-N 3.01Å; D367-S371 WeakPolarHBondContact O-CB 3.33Å; D367-S371 PolarHBondContact O-N 3.01Å |
| 368 | T | 84 | Confident | 81.5 | Confident | 84 Ų | 84 | 100.3 Ų | 100.3 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 172.7 | 47 | 0 | 0 | 0 | 0 | 112.5 | E364 K365 L366 V372 | E364-T368 WeakPolarHBondContact O-CG2 3.16Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 VanDerWaalsContact O-N 3.1Å; E364-T368 PolarHBondContact O-OG1 2.9Å; K365-T368 WeakPolarHBondContact CA-OG1 3.23Å; K365-T368 PolarHBondContact O-OG1 3.24Å; K365-T368 VanDerWaalsContact O-OG1 3.14Å; L366-T368 PolarHBondContact O-N 3.5Å; T368-V372 WeakPolarHBondContact O-CG2 3.28Å; T368-V372 PolarHBondContact O-N 2.87Å |
| 369 | S | 76.2 | Confident | 81.5 | Confident | 74 Ų | 74 | 101.8 Ų | 101.8 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 173.3 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | K365 L366 R373 | K365-S369 VanDerWaalsContact O-CB 3.31Å; K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 3.42Å; L366-S369 CarbonylContact O-C 3.6Å; L366-S369 PolarHBondContact O-N 3.21Å; L366-S369 VanDerWaalsContact O-N 3.13Å; S369-R373 WeakPolarHBondContact O-CB 3.29Å; S369-R373 PolarHBondContact O-N 3.07Å |
| 370 | L | 79.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 102.3 Ų | 102.3 | 38% | 0.377 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70 | -45.1 | 175.1 | -74.9 | 171.6 | 0 | 0 | 0 | 110.2 | L366 D367 V372 R373 E374 | L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CD1-CG 4.3Å; L366-L370 HydrophobicContact CG-CD1 4.03Å; L366-L370 HydrophobicContact CG-CG 4.37Å; L366-L370 WeakPolarHBondContact O-CB 3.47Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.26Å; L366-L370 PolarHBondContact O-N 2.6Å; D367-L370 PolarHBondContact O-N 3.01Å; L370-V372 VanDerWaalsContact C-N 3.31Å; L370-V372 PolarHBondContact O-N 3.1Å; L370-R373 CarbonylContact O-C 3.59Å; L370-R373 WeakPolarHBondContact O-CA 3.42Å; L370-R373 WeakPolarHBondContact O-CB 3.43Å; L370-R373 PolarHBondContact O-N 3.16Å; L370-E374 WeakPolarHBondContact O-CG 3.14Å; L370-E374 PolarHBondContact O-N 2.89Å |
| 371 | S | 83 | Confident | 81.7 | Confident | 72 Ų | 72 | 101.8 Ų | 101.8 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | D367 K375 | D367-S371 WeakPolarHBondContact O-CB 3.33Å; D367-S371 PolarHBondContact O-N 3.01Å; S371-K375 WeakPolarHBondContact O-CB 3.37Å; S371-K375 PolarHBondContact O-N 2.94Å |
| 372 | V | 80.9 | Confident | 81.8 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 172.1 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | T368 L370 K375 L376 | T368-V372 WeakPolarHBondContact O-CG2 3.28Å; T368-V372 PolarHBondContact O-N 2.87Å; L370-V372 VanDerWaalsContact C-N 3.31Å; L370-V372 PolarHBondContact O-N 3.1Å; V372-K375 PolarHBondContact O-N 3.4Å; V372-L376 HydrophobicContact CG1-CD1 4.12Å; V372-L376 WeakPolarHBondContact O-CG 3.21Å; V372-L376 PolarHBondContact O-N 3.33Å |
| 373 | R | 80.7 | Confident | 81.8 | Confident | 173 Ų | 173 | 102.8 Ų | 102.8 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -41.2 | 176.3 | -179.2 | 179.7 | 171.1 | -176.8 | -3.9 | 112.2 | S369 L370 K375 L376 Q377 | S369-R373 WeakPolarHBondContact O-CB 3.29Å; S369-R373 PolarHBondContact O-N 3.07Å; L370-R373 CarbonylContact O-C 3.59Å; L370-R373 WeakPolarHBondContact O-CA 3.42Å; L370-R373 WeakPolarHBondContact O-CB 3.43Å; L370-R373 PolarHBondContact O-N 3.16Å; R373-K375 VanDerWaalsContact C-N 3.33Å; R373-L376 PolarHBondContact O-N 3.01Å; R373-Q377 WeakPolarHBondContact O-CB 3.28Å; R373-Q377 PolarHBondContact O-N 3.43Å |
| 374 | E | 82.2 | Confident | 81.9 | Confident | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 174.1 | -73.6 | 173.3 | 168.6 | 0 | 0 | 110.9 | L370 Q377 F378 | L370-E374 WeakPolarHBondContact O-CG 3.14Å; L370-E374 PolarHBondContact O-N 2.89Å; E374-Q377 PolarHBondContact O-N 2.85Å; E374-F378 WeakPolarHBondContact O-CB 3.42Å; E374-F378 PolarHBondContact O-N 3.46Å |
| 375 | K | 84.1 | Confident | 81.9 | Confident | 139 Ų | 139 | 99.6 Ų | 99.6 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 173.8 | -172.5 | 179 | 178 | -175.9 | 0 | 112.6 | S371 V372 R373 Q377 F378 D379 | S371-K375 WeakPolarHBondContact O-CB 3.37Å; S371-K375 PolarHBondContact O-N 2.94Å; V372-K375 PolarHBondContact O-N 3.4Å; R373-K375 VanDerWaalsContact C-N 3.33Å; K375-Q377 VanDerWaalsContact C-N 3.32Å; K375-Q377 PolarHBondContact O-N 3.13Å; K375-F378 PolarHBondContact O-N 2.87Å; K375-D379 PolarHBondContact O-N 2.91Å |
| 376 | L | 76.9 | Confident | 81.9 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -34.1 | 176.3 | -75.5 | 170.9 | 0 | 0 | 0 | 112.5 | V372 R373 L380 | V372-L376 HydrophobicContact CG1-CD1 4.12Å; V372-L376 WeakPolarHBondContact O-CG 3.21Å; V372-L376 PolarHBondContact O-N 3.33Å; R373-L376 PolarHBondContact O-N 3.01Å; L376-L380 VanDerWaalsContact O-CB 3.27Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 PolarHBondContact O-N 3.48Å |
| 377 | Q | 81 | Confident | 81.8 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 41% | 0.407 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 172.6 | -174 | 63.3 | 48.1 | 0 | 0 | 110.5 | R373 E374 K375 D379 L380 D381 | R373-Q377 WeakPolarHBondContact O-CB 3.28Å; R373-Q377 PolarHBondContact O-N 3.43Å; E374-Q377 PolarHBondContact O-N 2.85Å; K375-Q377 VanDerWaalsContact C-N 3.32Å; K375-Q377 PolarHBondContact O-N 3.13Å; Q377-D379 PolarHBondContact O-N 2.76Å; Q377-L380 PolarHBondContact O-N 2.85Å; Q377-D381 PolarHBondContact NE2-OD1 2.84Å; Q377-D381 PolarHBondContact NE2-OD2 3.17Å; Q377-D381 WeakPolarHBondContact O-CB 3.33Å; Q377-D381 PolarHBondContact O-N 2.94Å |
| 378 | F | 87.1 | Confident | 81.8 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60 | -43.5 | 174.6 | 179.6 | -90.9 | 0 | 0 | 0 | 112.6 | E374 K375 L380 D381 H382 | E374-F378 WeakPolarHBondContact O-CB 3.42Å; E374-F378 PolarHBondContact O-N 3.46Å; K375-F378 PolarHBondContact O-N 2.87Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-L380 PolarHBondContact O-N 2.72Å; F378-D381 PolarHBondContact O-N 3Å; F378-H382 WeakPolarHBondContact O-CB 3.25Å; F378-H382 PolarHBondContact O-N 2.86Å |
| 379 | D | 82.9 | Confident | 81.6 | Confident | 77 Ų | 77 | 101 Ų | 101 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 176 | -73.9 | -29.3 | 0 | 0 | 0 | 111.7 | K375 Q377 L383 | K375-D379 PolarHBondContact O-N 2.91Å; Q377-D379 PolarHBondContact O-N 2.76Å; D379-L383 WeakPolarHBondContact O-CB 3.22Å; D379-L383 PolarHBondContact O-N 3.2Å |
| 380 | L | 81.6 | Confident | 81.7 | Confident | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 175.1 | -176.9 | 65.3 | 0 | 0 | 0 | 112.2 | L376 Q377 F378 L383 T384 | L376-L380 VanDerWaalsContact O-CB 3.27Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 PolarHBondContact O-N 3.48Å; Q377-L380 PolarHBondContact O-N 2.85Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-L380 PolarHBondContact O-N 2.72Å; L380-L383 PolarHBondContact O-N 3.41Å; L380-T384 VanDerWaalsContact O-CB 3.3Å; L380-T384 WeakPolarHBondContact O-CB 3.3Å; L380-T384 PolarHBondContact O-N 2.91Å; L380-T384 PolarHBondContact O-OG1 2.85Å |
| 381 | D | 83.7 | Confident | 81.8 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.9 | -67.7 | -21.5 | 0 | 0 | 0 | 110.4 | Q377 F378 T384 E385 | Q377-D381 PolarHBondContact NE2-OD1 2.84Å; Q377-D381 PolarHBondContact NE2-OD2 3.17Å; Q377-D381 WeakPolarHBondContact O-CB 3.33Å; Q377-D381 PolarHBondContact O-N 2.94Å; F378-D381 PolarHBondContact O-N 3Å; D381-T384 PolarHBondContact O-N 3.29Å; D381-E385 WeakPolarHBondContact O-CB 3.36Å; D381-E385 PolarHBondContact O-N 3.42Å |
| 382 | H | 84.4 | Confident | 81.7 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 173.4 | -177.8 | 52.9 | 0 | 0 | 0 | 112.9 | F378 E385 K386 | F378-H382 WeakPolarHBondContact O-CB 3.25Å; F378-H382 PolarHBondContact O-N 2.86Å; H382-E385 PolarHBondContact O-N 3.45Å; H382-K386 PolarHBondContact NE2-NZ 2.87Å; H382-K386 PolarHBondContact O-N 2.7Å |
| 383 | L | 79.6 | Confident | 81.7 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -38.2 | 174.4 | -171.2 | 65.7 | 0 | 0 | 0 | 111.4 | D379 L380 K386 F387 | D379-L383 WeakPolarHBondContact O-CB 3.22Å; D379-L383 PolarHBondContact O-N 3.2Å; L380-L383 PolarHBondContact O-N 3.41Å; L383-K386 PolarHBondContact O-N 2.86Å; L383-F387 PolarHBondContact O-N 3.2Å |
| 384 | T | 83.3 | Confident | 81.4 | Confident | 61 Ų | 61 | 100.3 Ų | 100.3 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | L380 D381 K386 F387 V388 | L380-T384 VanDerWaalsContact O-CB 3.3Å; L380-T384 WeakPolarHBondContact O-CB 3.3Å; L380-T384 PolarHBondContact O-N 2.91Å; L380-T384 PolarHBondContact O-OG1 2.85Å; D381-T384 PolarHBondContact O-N 3.29Å; T384-K386 PolarHBondContact O-N 2.84Å; T384-F387 PolarHBondContact O-N 3.35Å; T384-F387 VanDerWaalsContact O-N 3.17Å; T384-V388 HydrophobicContact CG2-CG2 4.47Å; T384-V388 VanDerWaalsContact O-CG2 3.3Å; T384-V388 WeakPolarHBondContact O-CG2 3.3Å; T384-V388 PolarHBondContact O-N 3.21Å |
| 385 | E | 83.9 | Confident | 81.1 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 41% | 0.407 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.6 | -156.9 | -153.2 | 156.7 | 0 | 0 | 111.5 | D381 H382 F387 V388 R389 | D381-E385 WeakPolarHBondContact O-CB 3.36Å; D381-E385 PolarHBondContact O-N 3.42Å; H382-E385 PolarHBondContact O-N 3.45Å; E385-F387 PolarHBondContact O-N 3.49Å; E385-V388 PolarHBondContact O-N 2.98Å; E385-R389 WeakPolarHBondContact O-CG 3.5Å; E385-R389 PolarHBondContact O-N 2.87Å; E385-R389 IonicContact OE1-CZ 3.7Å; E385-R389 IonicContact OE1-NE 3.31Å; E385-R389 PolarHBondContact OE1-NE 3.25Å; E385-R389 IonicContact OE1-NH2 2.8Å; E385-R389 PolarHBondContact OE1-NH2 3.43Å; E385-R389 IonicContact OE2-NH2 3.53Å |
| 386 | K | 82.5 | Confident | 80.9 | Confident | 101 Ų | 101 | 93.5 Ų | 93.5 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 172 | -80.3 | 174.9 | 175.9 | 168 | 0 | 112 | H382 L383 T384 R389 T390 | H382-K386 PolarHBondContact NE2-NZ 2.87Å; H382-K386 PolarHBondContact O-N 2.7Å; L383-K386 PolarHBondContact O-N 2.86Å; T384-K386 PolarHBondContact O-N 2.84Å; K386-R389 PolarHBondContact O-N 3.28Å; K386-T390 PolarHBondContact O-N 3.39Å; K386-T390 PolarHBondContact O-OG1 3.47Å |
| 387 | F | 78.8 | Confident | 81 | Confident | 122 Ų | 122 | 93.5 Ų | 93.5 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.9 | -172.6 | -109.7 | 0 | 0 | 0 | 112.2 | L383 T384 E385 K391 H956 | L383-F387 PolarHBondContact O-N 3.2Å; T384-F387 PolarHBondContact O-N 3.35Å; T384-F387 VanDerWaalsContact O-N 3.17Å; E385-F387 PolarHBondContact O-N 3.49Å; F387-K391 VanDerWaalsContact O-CB 3.3Å; F387-K391 WeakPolarHBondContact O-CB 3.21Å; F387-K391 PolarHBondContact O-N 3.01Å; F387-H956 AromaticContact CD1-CD2 3.51Å; F387-H956 AromaticContact CD1-NE2 3.45Å; F387-H956 WeakPolarHBondContact CD1-NE2 3.14Å; F387-H956 AromaticContact CE1-CD2 3.47Å; F387-H956 VanDerWaalsContact CE1-CD2 3.47Å; F387-H956 WeakPolarHBondContact CE1-CD2 3.47Å; F387-H956 AromaticContact CE1-NE2 3.91Å |
| 388 | V | 82.2 | Confident | 80.8 | Confident | 39 Ų | 39 | 93.8 Ų | 93.8 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 171.8 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | T384 E385 K391 R392 H956 | T384-V388 HydrophobicContact CG2-CG2 4.47Å; T384-V388 VanDerWaalsContact O-CG2 3.3Å; T384-V388 WeakPolarHBondContact O-CG2 3.3Å; T384-V388 PolarHBondContact O-N 3.21Å; E385-V388 PolarHBondContact O-N 2.98Å; V388-K391 PolarHBondContact O-N 3.49Å; V388-R392 WeakPolarHBondContact O-CB 3.48Å; V388-R392 PolarHBondContact O-N 2.88Å; V388-H956 VanDerWaalsContact CG2-CE1 3.43Å; V388-H956 WeakPolarHBondContact CG2-CE1 3.23Å; V388-H956 WeakPolarHBondContact CG2-NE2 3.4Å |
| 389 | R | 79.9 | Confident | 80.3 | Confident | 142 Ų | 142 | 91.9 Ų | 91.9 | 54% | 0.536 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.5 | -51.9 | 178 | -73.6 | -179.1 | -171 | -164.1 | 7.4 | 111.2 | E385 K386 K391 R392 E393 | E385-R389 WeakPolarHBondContact O-CG 3.5Å; E385-R389 PolarHBondContact O-N 2.87Å; E385-R389 IonicContact OE1-CZ 3.7Å; E385-R389 IonicContact OE1-NE 3.31Å; E385-R389 PolarHBondContact OE1-NE 3.25Å; E385-R389 IonicContact OE1-NH2 2.8Å; E385-R389 PolarHBondContact OE1-NH2 3.43Å; E385-R389 IonicContact OE2-NH2 3.53Å; K386-R389 PolarHBondContact O-N 3.28Å; R389-K391 VanDerWaalsContact C-N 3.34Å; R389-K391 PolarHBondContact O-N 2.88Å; R389-R392 WeakPolarHBondContact O-CB 3.2Å; R389-R392 PolarHBondContact O-N 2.99Å; R389-R392 VanDerWaalsContact O-N 3.12Å; R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 3Å |
| 390 | T | 77.9 | Confident | 80.1 | Confident | 75 Ų | 75 | 93.9 Ų | 93.9 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 177.7 | -58 | 0 | 0 | 0 | 0 | 112.2 | K386 R392 E393 C394 | K386-T390 PolarHBondContact O-N 3.39Å; K386-T390 PolarHBondContact O-OG1 3.47Å; T390-R392 VanDerWaalsContact C-N 3.34Å; T390-E393 PolarHBondContact O-N 2.77Å; T390-C394 PolarHBondContact O-N 3.3Å; T390-C394 PolarHBondContact O-SG 3.37Å; T390-C394 VanDerWaalsContact O-SG 3.33Å |
| 391 | K | 81.2 | Confident | 79.7 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 26% | 0.257 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68 | -34.7 | 175 | -163.2 | 178 | 174.6 | 175.8 | 0 | 111.8 | F387 V388 R389 C394 T395 S955 H956 N957 | F387-K391 VanDerWaalsContact O-CB 3.3Å; F387-K391 WeakPolarHBondContact O-CB 3.21Å; F387-K391 PolarHBondContact O-N 3.01Å; V388-K391 PolarHBondContact O-N 3.49Å; R389-K391 VanDerWaalsContact C-N 3.34Å; R389-K391 PolarHBondContact O-N 2.88Å; K391-C394 PolarHBondContact O-N 3.41Å; K391-T395 PolarHBondContact O-N 2.93Å; K391-T395 PolarHBondContact O-OG1 2.79Å; K391-S955 PolarHBondContact NZ-O 3.45Å; K391-H956 HydrophobicContact CD-CB 3.89Å; K391-H956 PolarHBondContact NZ-O 2.83Å; K391-N957 HydrophobicContact CD-CB 4.33Å; K391-N957 WeakPolarHBondContact CG-ND2 3.47Å |
| 392 | R | 80.7 | Confident | 79.2 | Confident | 137 Ų | 137 | 92.6 Ų | 92.6 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 173.5 | -166.7 | 179.5 | -65 | 175.4 | 1 | 111.6 | V388 R389 T390 C394 T395 D396 | V388-R392 WeakPolarHBondContact O-CB 3.48Å; V388-R392 PolarHBondContact O-N 2.88Å; R389-R392 WeakPolarHBondContact O-CB 3.2Å; R389-R392 PolarHBondContact O-N 2.99Å; R389-R392 VanDerWaalsContact O-N 3.12Å; T390-R392 VanDerWaalsContact C-N 3.34Å; R392-C394 VanDerWaalsContact C-N 3.28Å; R392-C394 PolarHBondContact O-N 3.31Å; R392-T395 WeakPolarHBondContact CA-OG1 3.47Å; R392-T395 PolarHBondContact O-N 3.15Å; R392-T395 VanDerWaalsContact O-N 3.14Å; R392-T395 PolarHBondContact O-OG1 3.16Å; R392-D396 WeakPolarHBondContact O-CB 3.44Å; R392-D396 PolarHBondContact O-N 3.5Å |
| 393 | E | 80.8 | Confident | 78.7 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 54% | 0.542 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 172.3 | -70.8 | 165.1 | -176.7 | 0 | 0 | 111.5 | R389 T390 L397 | R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 3Å; T390-E393 PolarHBondContact O-N 2.77Å; E393-L397 WeakPolarHBondContact O-CB 3.4Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.21Å; E393-L397 PolarHBondContact O-N 3.08Å; E393-L397 VanDerWaalsContact O-N 3.08Å |
| 394 | C | 74.4 | Confident | 78.3 | Confident | 77 Ų | 77 | 91.2 Ų | 91.2 | 52% | 0.52 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 174.1 | -71.2 | 0 | 0 | 0 | 0 | 113.7 | T390 K391 R392 Q398 | T390-C394 PolarHBondContact O-N 3.3Å; T390-C394 PolarHBondContact O-SG 3.37Å; T390-C394 VanDerWaalsContact O-SG 3.33Å; K391-C394 PolarHBondContact O-N 3.41Å; R392-C394 VanDerWaalsContact C-N 3.28Å; R392-C394 PolarHBondContact O-N 3.31Å; C394-Q398 WeakPolarHBondContact O-CB 3.42Å; C394-Q398 PolarHBondContact O-N 2.88Å |
| 395 | T | 76.7 | Confident | 77.7 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 175.2 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | K391 R392 L397 Q398 D399 | K391-T395 PolarHBondContact O-N 2.93Å; K391-T395 PolarHBondContact O-OG1 2.79Å; R392-T395 WeakPolarHBondContact CA-OG1 3.47Å; R392-T395 PolarHBondContact O-N 3.15Å; R392-T395 VanDerWaalsContact O-N 3.14Å; R392-T395 PolarHBondContact O-OG1 3.16Å; T395-L397 VanDerWaalsContact C-N 3.25Å; T395-L397 PolarHBondContact O-N 3Å; T395-Q398 PolarHBondContact O-N 3.42Å; T395-Q398 VanDerWaalsContact O-N 3.08Å; T395-D399 PolarHBondContact O-N 3.09Å |
| 396 | D | 80.1 | Confident | 77 | Confident | 83 Ų | 83 | 95.7 Ų | 95.7 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 178 | -65 | -5 | 0 | 0 | 0 | 111.5 | R392 Q400 | R392-D396 WeakPolarHBondContact O-CB 3.44Å; R392-D396 PolarHBondContact O-N 3.5Å; D396-Q400 WeakPolarHBondContact O-CB 3.45Å; D396-Q400 VanDerWaalsContact O-CG 3.24Å; D396-Q400 WeakPolarHBondContact O-CG 3.44Å; D396-Q400 PolarHBondContact O-N 3.35Å; D396-Q400 PolarHBondContact O-NE2 2.87Å |
| 397 | L | 78.6 | Confident | 76.2 | Confident | 112 Ų | 112 | 93.6 Ų | 93.6 | 59% | 0.586 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.1 | -38.1 | 171.6 | -73.3 | 170.9 | 0 | 0 | 0 | 112.7 | E393 T395 L401 | E393-L397 WeakPolarHBondContact O-CB 3.4Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.21Å; E393-L397 PolarHBondContact O-N 3.08Å; E393-L397 VanDerWaalsContact O-N 3.08Å; T395-L397 VanDerWaalsContact C-N 3.25Å; T395-L397 PolarHBondContact O-N 3Å; L397-L401 WeakPolarHBondContact O-CB 3.26Å; L397-L401 PolarHBondContact O-N 2.94Å |
| 398 | Q | 76.9 | Confident | 75.3 | Confident | 92 Ų | 92 | 92.5 Ų | 92.5 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 176.4 | -176.3 | 61.5 | 42.3 | 0 | 0 | 111.6 | C394 T395 Q400 L401 D402 | C394-Q398 WeakPolarHBondContact O-CB 3.42Å; C394-Q398 PolarHBondContact O-N 2.88Å; T395-Q398 PolarHBondContact O-N 3.42Å; T395-Q398 VanDerWaalsContact O-N 3.08Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 3.28Å; Q398-L401 CarbonylContact O-C 3.54Å; Q398-L401 WeakPolarHBondContact O-CA 3.31Å; Q398-L401 WeakPolarHBondContact O-CB 3.34Å; Q398-L401 PolarHBondContact O-N 3.36Å; Q398-D402 PolarHBondContact NE2-OD2 3.04Å; Q398-D402 PolarHBondContact O-N 3.23Å |
| 399 | D | 76.4 | Confident | 73.9 | Confident | 101 Ų | 101 | 96 Ų | 96 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 177.7 | -73.4 | -13 | 0 | 0 | 0 | 111.7 | T395 S403 | T395-D399 PolarHBondContact O-N 3.09Å; D399-S403 WeakPolarHBondContact O-CB 3.31Å; D399-S403 PolarHBondContact O-N 3.48Å; D399-S403 PolarHBondContact O-OG 3.12Å |
| 400 | Q | 77.5 | Confident | 72.7 | Confident | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 168.8 | -79.4 | 172.4 | 62.5 | 0 | 0 | 111.9 | D396 Q398 L404 | D396-Q400 WeakPolarHBondContact O-CB 3.45Å; D396-Q400 VanDerWaalsContact O-CG 3.24Å; D396-Q400 WeakPolarHBondContact O-CG 3.44Å; D396-Q400 PolarHBondContact O-N 3.35Å; D396-Q400 PolarHBondContact O-NE2 2.87Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 3.28Å; Q400-L404 WeakPolarHBondContact O-CB 3.47Å; Q400-L404 WeakPolarHBondContact O-CG 3.47Å; Q400-L404 PolarHBondContact O-N 3.41Å |
| 401 | L | 73.9 | Confident | 71.8 | Confident | 108 Ų | 108 | 98.9 Ų | 98.9 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66 | -43.9 | 178.7 | -157.1 | 80.6 | 0 | 0 | 0 | 111.9 | L397 Q398 L404 R405 | L397-L401 WeakPolarHBondContact O-CB 3.26Å; L397-L401 PolarHBondContact O-N 2.94Å; Q398-L401 CarbonylContact O-C 3.54Å; Q398-L401 WeakPolarHBondContact O-CA 3.31Å; Q398-L401 WeakPolarHBondContact O-CB 3.34Å; Q398-L401 PolarHBondContact O-N 3.36Å; L401-L404 PolarHBondContact O-N 3.36Å; L401-R405 WeakPolarHBondContact O-CB 3.45Å; L401-R405 PolarHBondContact O-N 2.86Å |
| 402 | D | 73.7 | Confident | 70.2 | Confident | 43 Ų | 43 | 104.3 Ų | 104.3 | 23% | 0.23 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -74.3 | -33 | 178.9 | -77.9 | -42.2 | 0 | 0 | 0 | 112.5 | Q398 R405 I406 | Q398-D402 PolarHBondContact NE2-OD2 3.04Å; Q398-D402 PolarHBondContact O-N 3.23Å; D402-R405 PolarHBondContact O-N 3.36Å; D402-R405 IonicContact OD1-CZ 2.72Å; D402-R405 IonicContact OD1-NE 3.51Å; D402-R405 IonicContact OD1-NH1 3.27Å; D402-R405 PolarHBondContact OD1-NH1 2.82Å; D402-I406 WeakPolarHBondContact O-CG1 3.23Å; D402-I406 PolarHBondContact O-N 3.16Å |
| 403 | S | 73.7 | Confident | 68.7 | Low | 78 Ų | 78 | 104.6 Ų | 104.6 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 169 | -64 | 0 | 0 | 0 | 0 | 112 | D399 A407 | D399-S403 WeakPolarHBondContact O-CB 3.31Å; D399-S403 PolarHBondContact O-N 3.48Å; D399-S403 PolarHBondContact O-OG 3.12Å; S403-A407 WeakPolarHBondContact O-CB 3.48Å; S403-A407 PolarHBondContact O-N 3.23Å |
| 404 | L | 71.4 | Confident | 67 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 60% | 0.602 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 172.9 | -76.1 | 166.3 | 0 | 0 | 0 | 111.4 | Q400 L401 I406 A407 D408 | Q400-L404 WeakPolarHBondContact O-CB 3.47Å; Q400-L404 WeakPolarHBondContact O-CG 3.47Å; Q400-L404 PolarHBondContact O-N 3.41Å; L401-L404 PolarHBondContact O-N 3.36Å; L404-I406 PolarHBondContact O-N 2.77Å; L404-A407 PolarHBondContact O-N 3.41Å; L404-D408 PolarHBondContact O-N 3.1Å |
| 405 | R | 71.2 | Confident | 65.8 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 56% | 0.562 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 179.1 | -158 | -179.2 | 97.1 | -157.2 | 14.9 | 112.5 | L401 D402 Q409 | L401-R405 WeakPolarHBondContact O-CB 3.45Å; L401-R405 PolarHBondContact O-N 2.86Å; D402-R405 PolarHBondContact O-N 3.36Å; D402-R405 IonicContact OD1-CZ 2.72Å; D402-R405 IonicContact OD1-NE 3.51Å; D402-R405 IonicContact OD1-NH1 3.27Å; D402-R405 PolarHBondContact OD1-NH1 2.82Å; R405-Q409 WeakPolarHBondContact O-CB 3.37Å; R405-Q409 WeakPolarHBondContact O-CG 3.34Å; R405-Q409 PolarHBondContact O-N 3.27Å; R405-Q409 VanDerWaalsContact O-N 3.1Å |
| 406 | I | 67.7 | Low | 64.1 | Low | 94 Ų | 94 | 112.2 Ų | 112.2 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.4 | -42.2 | 176.5 | -66.1 | 163.4 | 0 | 0 | 0 | 110.5 | D402 L404 D408 Q409 Q410 | D402-I406 WeakPolarHBondContact O-CG1 3.23Å; D402-I406 PolarHBondContact O-N 3.16Å; L404-I406 PolarHBondContact O-N 2.77Å; I406-D408 PolarHBondContact O-N 3.36Å; I406-Q409 PolarHBondContact O-N 3.48Å; I406-Q410 PolarHBondContact O-N 3.4Å |
| 407 | A | 67 | Low | 62.1 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.4 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S403 L404 K411 | S403-A407 WeakPolarHBondContact O-CB 3.48Å; S403-A407 PolarHBondContact O-N 3.23Å; L404-A407 PolarHBondContact O-N 3.41Å; A407-K411 WeakPolarHBondContact O-CB 3.34Å; A407-K411 PolarHBondContact O-N 2.91Å |
| 408 | D | 59.9 | Low | 60.3 | Low | 99 Ų | 99 | 116.2 Ų | 116.2 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.9 | -34.9 | 175.6 | -87.7 | -16.9 | 0 | 0 | 0 | 112.5 | L404 I406 K411 Y412 | L404-D408 PolarHBondContact O-N 3.1Å; I406-D408 PolarHBondContact O-N 3.36Å; D408-K411 PolarHBondContact O-N 3.33Å; D408-Y412 PolarHBondContact O-N 3.05Å; D408-Y412 VanDerWaalsContact O-N 3.16Å |
| 409 | Q | 53 | Low | 58.5 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.7 | -40.7 | 173.8 | -76.9 | -177.4 | -15.7 | 0 | 0 | 112.5 | R405 I406 K411 Y412 I413 | R405-Q409 WeakPolarHBondContact O-CB 3.37Å; R405-Q409 WeakPolarHBondContact O-CG 3.34Å; R405-Q409 PolarHBondContact O-N 3.27Å; R405-Q409 VanDerWaalsContact O-N 3.1Å; I406-Q409 PolarHBondContact O-N 3.48Å; Q409-K411 VanDerWaalsContact C-N 3.31Å; Q409-K411 PolarHBondContact O-N 3.17Å; Q409-Y412 PolarHBondContact O-N 2.84Å; Q409-I413 WeakPolarHBondContact O-CG1 3.4Å |
| 410 | Q | 53.4 | Low | 56.5 | Low | 133 Ų | 133 | 120.4 Ų | 120.4 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.3 | -41.1 | 176.3 | -141 | 95.6 | 27.4 | 0 | 0 | 111.5 | I406 I413 | I406-Q410 PolarHBondContact O-N 3.4Å; Q410-I413 PolarHBondContact O-N 3.49Å |
| 411 | K | 60.7 | Low | 54.7 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.1 | -28.9 | -176.3 | -164.3 | 179.2 | -178.4 | -177.6 | 0 | 113.8 | A407 D408 Q409 T415 | A407-K411 WeakPolarHBondContact O-CB 3.34Å; A407-K411 PolarHBondContact O-N 2.91Å; D408-K411 PolarHBondContact O-N 3.33Å; Q409-K411 VanDerWaalsContact C-N 3.31Å; Q409-K411 PolarHBondContact O-N 3.17Å; K411-T415 PolarHBondContact O-OG1 3.38Å; K411-T415 VanDerWaalsContact O-OG1 3.11Å |
| 412 | Y | 47.4 | Very low | 53 | Low | 173 Ų | 173 | 123.7 Ų | 123.7 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.1 | -24.1 | 175.2 | -103.8 | -86.5 | 0 | 0 | 0 | 113.5 | D408 Q409 | D408-Y412 PolarHBondContact O-N 3.05Å; D408-Y412 VanDerWaalsContact O-N 3.16Å; Q409-Y412 PolarHBondContact O-N 2.84Å |
| 413 | I | 47.7 | Very low | 51.1 | Low | 143 Ų | 143 | 130 Ų | 130 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78 | -29.3 | -178.6 | -67.6 | 168.4 | 0 | 0 | 0 | 112.1 | Q409 Q410 | Q409-I413 WeakPolarHBondContact O-CG1 3.4Å; Q410-I413 PolarHBondContact O-N 3.49Å |
| 414 | E | 46.8 | Very low | 49.3 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -82 | -7 | -179.4 | -69.3 | -168.2 | 145.1 | 0 | 0 | 115.1 | ||
| 415 | T | 48.3 | Very low | 47.4 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 61% | 0.613 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -116.1 | -2.1 | -166.3 | 44.6 | 0 | 0 | 0 | 0 | 116.7 | K411 | K411-T415 PolarHBondContact O-OG1 3.38Å; K411-T415 VanDerWaalsContact O-OG1 3.11Å |
| 416 | V | 41.4 | Very low | 45.5 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | trans | -106.5 | 52.1 | -175.8 | -165 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 417 | N | 37.5 | Very low | 43.7 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -138 | 140.4 | 168.5 | -143.6 | -11.4 | 0 | 0 | 0 | 108.8 | ||||
| 418 | V | 41.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 88.1 | 90.6 | -174.2 | -168.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 419 | D | 38.2 | Very low | 40.4 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | 42.2 | 112.9 | 133.2 | -72.8 | -58.3 | 0 | 0 | 0 | 123.9 | ||||
| 420 | K | 35.9 | Very low | 39.2 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | 51 | 118 | 120.1 | -58.1 | -176.3 | -174.5 | 96.3 | 0 | 120.6 | |||||
| 421 | N | 39.2 | Very low | 38.1 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | 135.7 | 145.1 | 125.7 | -67.1 | -44.9 | 0 | 0 | 0 | 115.6 | |||||
| 422 | N | 37.3 | Very low | 36.7 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 82.2 | 91.7 | 160.1 | -60.7 | -7.2 | 0 | 0 | 0 | 120.5 | ||||
| 423 | E | 33.1 | Very low | 35.9 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -3.9 | 130.3 | 136.6 | -52.5 | 173.9 | 149.9 | 0 | 0 | 118.6 | ||||
| 424 | T | 36.6 | Very low | 35.1 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | 170.9 | 143.6 | 105.5 | 34.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 425 | N | 32.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 56.9 | 98.9 | 160.2 | -66.9 | -24.6 | 0 | 0 | 0 | 119.8 | ||||
| 426 | V | 31.2 | Very low | 34 | Very low | 142 Ų | 142 | 137 Ų | 137 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | 176.9 | 123.3 | 95 | 160.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 427 | M | 28.6 | Very low | 33.9 | Very low | 166 Ų | 166 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -69.9 | 149.7 | 172.7 | -76.5 | -103.5 | -78.2 | 0 | 0 | 111.1 | ||||
| 428 | C | 28.2 | Very low | 34 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -148.7 | 169 | 12.3 | -87.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 429 | T | 30.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | cis | -163 | 119.2 | -20.4 | 26.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 430 | P | 28.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -116.5 | -167.3 | 179.6 | 39.5 | -29.2 | 0 | 0 | 0 | 113.6 | ||||
| 431 | H | 28.8 | Very low | 34.7 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | trans | 93.2 | 143.5 | 165.2 | -57.6 | -36.4 | 0 | 0 | 0 | 117.8 | ||||
| 432 | T | 32.9 | Very low | 35 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | cis | -160.3 | 154.2 | 0.9 | 6.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 433 | N | 29.2 | Very low | 35.6 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -90.2 | -174 | 161.5 | -72.4 | -27.9 | 0 | 0 | 0 | 112 | ||||
| 434 | C | 30.9 | Very low | 36.5 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | trans | 95.4 | 111.7 | 163.3 | -61.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 435 | T | 33.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 121 Ų | 121 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | 81.6 | 127.4 | 59.8 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 436 | T | 40 | Very low | 39.3 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | -173.4 | 110.7 | 145.4 | 11.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 437 | D | 39.3 | Very low | 40.7 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | trans | 48.4 | 103.4 | 132.7 | -54.1 | -18.6 | 0 | 0 | 0 | 123.8 | ||||
| 438 | N | 39.1 | Very low | 42.7 | Very low | 161 Ų | 161 | 119.9 Ų | 119.9 | 86% | 0.861 | 66% | 0.66 | S | S | * | * | 11.3 | 106.7 | 128.2 | -65 | -26.4 | 0 | 0 | 0 | 119.9 | |||||
| 439 | Q | 43.2 | Very low | 44.6 | Very low | 174 Ų | 174 | 120.6 Ų | 120.6 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | trans | -123.6 | 118 | 133.2 | -101.6 | -177.9 | -10.9 | 0 | 0 | 108.2 | T441 | Q439-T441 VanDerWaalsContact C-N 3.29Å; Q439-T441 PolarHBondContact O-N 2.79Å | ||
| 440 | E | 37.5 | Very low | 46.7 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | trans | -65.8 | 91 | 170.5 | -88.6 | -168 | 135.5 | 0 | 0 | 108.9 | R448 | E440-R448 IonicContact OE1-CZ 3.69Å; E440-R448 IonicContact OE1-NH1 3.38Å; E440-R448 PolarHBondContact OE1-NH1 3.05Å; E440-R448 IonicContact OE1-NH2 3.84Å; E440-R448 PolarHBondContact OE1-NH2 3.28Å; E440-R448 VanDerWaalsContact OE1-NH2 3.12Å | ||
| 441 | T | 48.8 | Very low | 48.8 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 44% | 0.436 | 64% | 0.64 | S | S | . | * | trans | -65.7 | 151 | 172.2 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | Q439 S443 I444 | Q439-T441 VanDerWaalsContact C-N 3.29Å; Q439-T441 PolarHBondContact O-N 2.79Å; T441-S443 PolarHBondContact O-N 2.78Å; T441-I444 PolarHBondContact O-N 3.38Å | ||
| 442 | A | 46.8 | Very low | 50.9 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -55.7 | -18.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | S445 R446 | A442-S445 WeakPolarHBondContact CA-OG 3.49Å; A442-S445 PolarHBondContact O-OG 3.15Å; A442-R446 WeakPolarHBondContact O-CB 3.37Å; A442-R446 VanDerWaalsContact O-CG 3.3Å; A442-R446 WeakPolarHBondContact O-CG 3.02Å; A442-R446 PolarHBondContact O-N 3.46Å |
| 443 | S | 48.8 | Very low | 53 | Low | 74 Ų | 74 | 115.9 Ų | 115.9 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.5 | -37.6 | 169.3 | -46.3 | 0 | 0 | 0 | 0 | 113.4 | T441 R446 L447 | T441-S443 PolarHBondContact O-N 2.78Å; S443-R446 PolarHBondContact O-N 2.85Å; S443-L447 WeakPolarHBondContact O-CB 3.49Å; S443-L447 PolarHBondContact O-N 2.65Å |
| 444 | I | 52.5 | Low | 55 | Low | 64 Ų | 64 | 113.2 Ų | 113.2 | 33% | 0.328 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.4 | -41.6 | 178.9 | -66.4 | 173.6 | 0 | 0 | 0 | 110.6 | T441 R446 L447 R448 | T441-I444 PolarHBondContact O-N 3.38Å; I444-R446 VanDerWaalsContact C-N 3.31Å; I444-R446 PolarHBondContact O-N 2.99Å; I444-L447 PolarHBondContact O-N 2.87Å; I444-R448 WeakPolarHBondContact O-CB 3.39Å; I444-R448 PolarHBondContact O-N 3.03Å |
| 445 | S | 62.2 | Low | 57.1 | Low | 56 Ų | 56 | 111.4 Ų | 111.4 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -35.3 | 171.1 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | A442 R448 N449 | A442-S445 WeakPolarHBondContact CA-OG 3.49Å; A442-S445 PolarHBondContact O-OG 3.15Å; S445-R448 PolarHBondContact O-N 2.72Å; S445-N449 WeakPolarHBondContact O-CB 3.5Å; S445-N449 VanDerWaalsContact O-CG 3.26Å; S445-N449 PolarHBondContact O-N 3.08Å; S445-N449 PolarHBondContact O-OD1 3.21Å |
| 446 | R | 64.7 | Low | 59.2 | Low | 198 Ų | 198 | 108.5 Ų | 108.5 | 75% | 0.747 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 171.4 | -79.9 | 177.3 | 177.2 | -176.2 | -1.2 | 112.4 | A442 S443 I444 L450 | A442-R446 WeakPolarHBondContact O-CB 3.37Å; A442-R446 VanDerWaalsContact O-CG 3.3Å; A442-R446 WeakPolarHBondContact O-CG 3.02Å; A442-R446 PolarHBondContact O-N 3.46Å; S443-R446 PolarHBondContact O-N 2.85Å; I444-R446 VanDerWaalsContact C-N 3.31Å; I444-R446 PolarHBondContact O-N 2.99Å; R446-L450 WeakPolarHBondContact O-CB 3.47Å; R446-L450 PolarHBondContact O-N 2.9Å |
| 447 | L | 62 | Low | 60.6 | Low | 105 Ų | 105 | 106.6 Ų | 106.6 | 55% | 0.55 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 174.1 | -94.8 | 157.1 | 0 | 0 | 0 | 112.3 | S443 I444 L450 Y451 | S443-L447 WeakPolarHBondContact O-CB 3.49Å; S443-L447 PolarHBondContact O-N 2.65Å; I444-L447 PolarHBondContact O-N 2.87Å; L447-L450 PolarHBondContact O-N 3.06Å; L447-Y451 WeakPolarHBondContact O-CB 3.35Å; L447-Y451 PolarHBondContact O-N 3.14Å |
| 448 | R | 69.3 | Low | 62.2 | Low | 132 Ų | 132 | 104.1 Ų | 104.1 | 50% | 0.498 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -52.1 | 173 | -164.7 | 176.4 | -72.2 | 138 | 1.6 | 110 | E440 I444 S445 L450 Y451 D452 | E440-R448 IonicContact OE1-CZ 3.69Å; E440-R448 IonicContact OE1-NH1 3.38Å; E440-R448 PolarHBondContact OE1-NH1 3.05Å; E440-R448 IonicContact OE1-NH2 3.84Å; E440-R448 PolarHBondContact OE1-NH2 3.28Å; E440-R448 VanDerWaalsContact OE1-NH2 3.12Å; I444-R448 WeakPolarHBondContact O-CB 3.39Å; I444-R448 PolarHBondContact O-N 3.03Å; S445-R448 PolarHBondContact O-N 2.72Å; R448-L450 VanDerWaalsContact C-N 3.29Å; R448-L450 PolarHBondContact O-N 3.41Å; R448-Y451 CarbonylContact O-C 3.43Å; R448-Y451 WeakPolarHBondContact O-CB 3.43Å; R448-Y451 PolarHBondContact O-N 2.86Å; R448-Y451 VanDerWaalsContact O-N 3.08Å; R448-D452 WeakPolarHBondContact O-CB 3.47Å; R448-D452 PolarHBondContact O-N 3.34Å |
| 449 | N | 69.3 | Low | 63.8 | Low | 110 Ų | 110 | 100.6 Ų | 100.6 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -35.2 | 174.6 | -68.8 | 10.2 | 0 | 0 | 0 | 113.5 | S445 L453 | S445-N449 WeakPolarHBondContact O-CB 3.5Å; S445-N449 VanDerWaalsContact O-CG 3.26Å; S445-N449 PolarHBondContact O-N 3.08Å; S445-N449 PolarHBondContact O-OD1 3.21Å; N449-L453 WeakPolarHBondContact O-CB 3.37Å; N449-L453 PolarHBondContact O-N 2.68Å |
| 450 | L | 73.4 | Confident | 65.3 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 175.7 | -174.1 | 70.5 | 0 | 0 | 0 | 111.2 | R446 L447 R448 L453 I454 | R446-L450 WeakPolarHBondContact O-CB 3.47Å; R446-L450 PolarHBondContact O-N 2.9Å; L447-L450 PolarHBondContact O-N 3.06Å; R448-L450 VanDerWaalsContact C-N 3.29Å; R448-L450 PolarHBondContact O-N 3.41Å; L450-L453 PolarHBondContact O-N 2.73Å; L450-I454 HydrophobicContact CD1-CD1 4.45Å; L450-I454 HydrophobicContact CD2-CD1 4.5Å; L450-I454 HydrophobicContact CG-CD1 3.94Å; L450-I454 WeakPolarHBondContact O-CB 3.13Å; L450-I454 WeakPolarHBondContact O-CD1 3.25Å; L450-I454 WeakPolarHBondContact O-CG1 3.16Å; L450-I454 PolarHBondContact O-N 3.4Å |
| 451 | Y | 71.9 | Confident | 66.8 | Low | 150 Ų | 150 | 98.1 Ų | 98.1 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -47.1 | 173.6 | -179.7 | -93.3 | 0 | 0 | 0 | 110.9 | L447 R448 L453 I454 H455 | L447-Y451 WeakPolarHBondContact O-CB 3.35Å; L447-Y451 PolarHBondContact O-N 3.14Å; R448-Y451 CarbonylContact O-C 3.43Å; R448-Y451 WeakPolarHBondContact O-CB 3.43Å; R448-Y451 PolarHBondContact O-N 2.86Å; R448-Y451 VanDerWaalsContact O-N 3.08Å; Y451-L453 VanDerWaalsContact C-N 3.31Å; Y451-L453 PolarHBondContact O-N 3.5Å; Y451-I454 CarbonylContact O-C 3.59Å; Y451-I454 PolarHBondContact O-N 3.42Å; Y451-H455 VanDerWaalsContact O-CB 3.27Å; Y451-H455 WeakPolarHBondContact O-CB 3.48Å; Y451-H455 PolarHBondContact O-N 3.21Å |
| 452 | D | 73.4 | Confident | 67.8 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.1 | -58.9 | -25.7 | 0 | 0 | 0 | 110.7 | R448 H455 D456 | R448-D452 WeakPolarHBondContact O-CB 3.47Å; R448-D452 PolarHBondContact O-N 3.34Å; D452-H455 PolarHBondContact O-N 2.8Å; D452-D456 VanDerWaalsContact O-CB 3.32Å; D452-D456 WeakPolarHBondContact O-CB 3.24Å; D452-D456 PolarHBondContact O-N 3.26Å |
| 453 | L | 77.9 | Confident | 68.8 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 174.1 | -175.6 | 69.6 | 0 | 0 | 0 | 112.7 | N449 L450 Y451 H455 L457 | N449-L453 WeakPolarHBondContact O-CB 3.37Å; N449-L453 PolarHBondContact O-N 2.68Å; L450-L453 PolarHBondContact O-N 2.73Å; Y451-L453 VanDerWaalsContact C-N 3.31Å; Y451-L453 PolarHBondContact O-N 3.5Å; L453-H455 VanDerWaalsContact C-N 3.34Å; L453-L457 HydrophobicContact CG-CD1 4.21Å; L453-L457 VanDerWaalsContact O-CB 3.25Å; L453-L457 WeakPolarHBondContact O-CB 3.35Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 2.91Å |
| 454 | I | 71.1 | Confident | 69.7 | Low | 96 Ų | 96 | 100.7 Ų | 100.7 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 174.7 | -73.6 | 166.4 | 0 | 0 | 0 | 110.2 | L450 Y451 L457 M458 | L450-I454 HydrophobicContact CD1-CD1 4.45Å; L450-I454 HydrophobicContact CD2-CD1 4.5Å; L450-I454 HydrophobicContact CG-CD1 3.94Å; L450-I454 WeakPolarHBondContact O-CB 3.13Å; L450-I454 WeakPolarHBondContact O-CD1 3.25Å; L450-I454 WeakPolarHBondContact O-CG1 3.16Å; L450-I454 PolarHBondContact O-N 3.4Å; Y451-I454 CarbonylContact O-C 3.59Å; Y451-I454 PolarHBondContact O-N 3.42Å; I454-L457 PolarHBondContact O-N 2.81Å; I454-M458 WeakPolarHBondContact O-CB 3.23Å; I454-M458 PolarHBondContact O-N 2.86Å |
| 455 | H | 75.3 | Confident | 70.5 | Confident | 74 Ų | 74 | 104.9 Ų | 104.9 | 34% | 0.343 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.2 | -39.5 | 178.4 | -162.7 | -47.4 | 0 | 0 | 0 | 111.4 | Y451 D452 L453 M458 L459 | Y451-H455 VanDerWaalsContact O-CB 3.27Å; Y451-H455 WeakPolarHBondContact O-CB 3.48Å; Y451-H455 PolarHBondContact O-N 3.21Å; D452-H455 PolarHBondContact O-N 2.8Å; L453-H455 VanDerWaalsContact C-N 3.34Å; H455-M458 PolarHBondContact O-N 3.47Å; H455-L459 WeakPolarHBondContact ND1-CD1 3.41Å; H455-L459 WeakPolarHBondContact O-CB 3.43Å; H455-L459 VanDerWaalsContact O-CG 3.31Å; H455-L459 WeakPolarHBondContact O-CG 3.49Å; H455-L459 PolarHBondContact O-N 3Å |
| 456 | D | 76.2 | Confident | 70.6 | Confident | 63 Ų | 63 | 109 Ų | 109 | 34% | 0.337 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 173 | -166.9 | 63.7 | 0 | 0 | 0 | 111.3 | D452 L459 R460 | D452-D456 VanDerWaalsContact O-CB 3.32Å; D452-D456 WeakPolarHBondContact O-CB 3.24Å; D452-D456 PolarHBondContact O-N 3.26Å; D456-L459 PolarHBondContact O-N 3.29Å; D456-R460 WeakPolarHBondContact O-CB 3.37Å; D456-R460 VanDerWaalsContact O-CG 3.23Å; D456-R460 WeakPolarHBondContact O-CG 3.23Å; D456-R460 PolarHBondContact O-N 3.45Å; D456-R460 IonicContact OD2-CZ 3.84Å; D456-R460 IonicContact OD2-NE 3.76Å; D456-R460 PolarHBondContact OD2-NE 3.37Å; D456-R460 IonicContact OD2-NH2 3.24Å; D456-R460 PolarHBondContact OD2-NH2 3.36Å |
| 457 | L | 70.3 | Confident | 70.6 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 170.1 | -86 | 163.5 | 0 | 0 | 0 | 112.4 | L453 I454 R460 L461 | L453-L457 HydrophobicContact CG-CD1 4.21Å; L453-L457 VanDerWaalsContact O-CB 3.25Å; L453-L457 WeakPolarHBondContact O-CB 3.35Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 2.91Å; I454-L457 PolarHBondContact O-N 2.81Å; L457-R460 PolarHBondContact O-N 3.31Å; L457-L461 WeakPolarHBondContact O-CB 3.47Å; L457-L461 PolarHBondContact O-N 2.82Å |
| 458 | M | 72.3 | Confident | 70.7 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 177.9 | -175 | -180 | 69 | 0 | 0 | 111.5 | I454 H455 L461 N462 | I454-M458 WeakPolarHBondContact O-CB 3.23Å; I454-M458 PolarHBondContact O-N 2.86Å; H455-M458 PolarHBondContact O-N 3.47Å; M458-L461 PolarHBondContact O-N 2.8Å; M458-N462 WeakPolarHBondContact O-CB 3.14Å; M458-N462 VanDerWaalsContact O-CG 3.31Å; M458-N462 PolarHBondContact O-N 3.23Å; M458-N462 PolarHBondContact O-ND2 3.18Å |
| 459 | L | 73.6 | Confident | 70.2 | Confident | 87 Ų | 87 | 104.6 Ų | 104.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 170.7 | -76.5 | 165.6 | 0 | 0 | 0 | 110.6 | H455 D456 L461 N462 D463 | H455-L459 WeakPolarHBondContact ND1-CD1 3.41Å; H455-L459 WeakPolarHBondContact O-CB 3.43Å; H455-L459 VanDerWaalsContact O-CG 3.31Å; H455-L459 WeakPolarHBondContact O-CG 3.49Å; H455-L459 PolarHBondContact O-N 3Å; D456-L459 PolarHBondContact O-N 3.29Å; L459-L461 VanDerWaalsContact C-N 3.31Å; L459-L461 PolarHBondContact O-N 3.37Å; L459-N462 CarbonylContact O-C 3.56Å; L459-N462 WeakPolarHBondContact O-CA 3.4Å; L459-N462 WeakPolarHBondContact O-CB 3.49Å; L459-N462 PolarHBondContact O-N 3.48Å; L459-N462 VanDerWaalsContact O-N 3.09Å; L459-D463 PolarHBondContact O-N 2.87Å |
| 460 | R | 73.2 | Confident | 69.9 | Low | 152 Ų | 152 | 101.8 Ų | 101.8 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -35.1 | 174.6 | -68.4 | 173.3 | -161.7 | -137.7 | 7.5 | 113.1 | D456 L457 D463 V464 | D456-R460 WeakPolarHBondContact O-CB 3.37Å; D456-R460 VanDerWaalsContact O-CG 3.23Å; D456-R460 WeakPolarHBondContact O-CG 3.23Å; D456-R460 PolarHBondContact O-N 3.45Å; D456-R460 IonicContact OD2-CZ 3.84Å; D456-R460 IonicContact OD2-NE 3.76Å; D456-R460 PolarHBondContact OD2-NE 3.37Å; D456-R460 IonicContact OD2-NH2 3.24Å; D456-R460 PolarHBondContact OD2-NH2 3.36Å; L457-R460 PolarHBondContact O-N 3.31Å; R460-D463 PolarHBondContact O-N 2.8Å; R460-V464 WeakPolarHBondContact O-CB 3.49Å; R460-V464 VanDerWaalsContact O-CG2 3.28Å; R460-V464 WeakPolarHBondContact O-CG2 3.2Å; R460-V464 PolarHBondContact O-N 3.03Å |
| 461 | L | 69.8 | Low | 69.1 | Low | 106 Ų | 106 | 100.5 Ų | 100.5 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.4 | -32.6 | 174.5 | -110 | 151.9 | 0 | 0 | 0 | 112.2 | L457 M458 L459 R465 | L457-L461 WeakPolarHBondContact O-CB 3.47Å; L457-L461 PolarHBondContact O-N 2.82Å; M458-L461 PolarHBondContact O-N 2.8Å; L459-L461 VanDerWaalsContact C-N 3.31Å; L459-L461 PolarHBondContact O-N 3.37Å; L461-R465 WeakPolarHBondContact O-CB 3.23Å; L461-R465 PolarHBondContact O-N 3.04Å |
| 462 | N | 69.3 | Low | 68.9 | Low | 84 Ų | 84 | 96.9 Ų | 96.9 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.5 | -39.3 | 171.3 | -73.6 | -24.1 | 0 | 0 | 0 | 111.3 | M458 L459 R465 F466 | M458-N462 WeakPolarHBondContact O-CB 3.14Å; M458-N462 VanDerWaalsContact O-CG 3.31Å; M458-N462 PolarHBondContact O-N 3.23Å; M458-N462 PolarHBondContact O-ND2 3.18Å; L459-N462 CarbonylContact O-C 3.56Å; L459-N462 WeakPolarHBondContact O-CA 3.4Å; L459-N462 WeakPolarHBondContact O-CB 3.49Å; L459-N462 PolarHBondContact O-N 3.48Å; L459-N462 VanDerWaalsContact O-N 3.09Å; N462-R465 CarbonylContact O-C 3.54Å; N462-R465 PolarHBondContact O-N 3.36Å; N462-F466 VanDerWaalsContact O-CB 3.25Å; N462-F466 WeakPolarHBondContact O-CB 3.32Å; N462-F466 PolarHBondContact O-N 3.16Å |
| 463 | D | 68.3 | Low | 68.2 | Low | 105 Ų | 105 | 96.2 Ų | 96.2 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 170.2 | -77.4 | -17.7 | 0 | 0 | 0 | 111.9 | L459 R460 F466 T467 | L459-D463 PolarHBondContact O-N 2.87Å; R460-D463 PolarHBondContact O-N 2.8Å; D463-F466 PolarHBondContact O-N 3.39Å; D463-T467 WeakPolarHBondContact O-CB 3.35Å; D463-T467 WeakPolarHBondContact O-CG2 3.13Å; D463-T467 PolarHBondContact O-N 3.48Å; D463-T467 PolarHBondContact O-OG1 3.32Å |
| 464 | V | 67.7 | Low | 67.4 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 174.6 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | R460 T467 Q468 | R460-V464 WeakPolarHBondContact O-CB 3.49Å; R460-V464 VanDerWaalsContact O-CG2 3.28Å; R460-V464 WeakPolarHBondContact O-CG2 3.2Å; R460-V464 PolarHBondContact O-N 3.03Å; V464-T467 WeakPolarHBondContact CA-OG1 3.32Å; V464-T467 PolarHBondContact O-OG1 2.85Å; V464-Q468 VanDerWaalsContact O-CB 3.3Å; V464-Q468 WeakPolarHBondContact O-CB 3.22Å; V464-Q468 WeakPolarHBondContact O-CG 3.2Å; V464-Q468 PolarHBondContact O-N 3.45Å |
| 465 | R | 68.7 | Low | 66.7 | Low | 153 Ų | 153 | 96.2 Ų | 96.2 | 58% | 0.577 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.6 | -38.7 | 172.7 | -88.4 | -175.6 | 142.5 | -154.7 | -5.3 | 112.3 | L461 N462 Q468 H469 | L461-R465 WeakPolarHBondContact O-CB 3.23Å; L461-R465 PolarHBondContact O-N 3.04Å; N462-R465 CarbonylContact O-C 3.54Å; N462-R465 PolarHBondContact O-N 3.36Å; R465-Q468 PolarHBondContact O-N 2.78Å; R465-H469 WeakPolarHBondContact O-CB 3.22Å; R465-H469 PolarHBondContact O-N 3.35Å |
| 466 | F | 65.6 | Low | 65.5 | Low | 143 Ų | 143 | 97.3 Ų | 97.3 | 63% | 0.627 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 178 | -175.4 | -94.8 | 0 | 0 | 0 | 110.9 | N462 D463 H469 S470 | N462-F466 VanDerWaalsContact O-CB 3.25Å; N462-F466 WeakPolarHBondContact O-CB 3.32Å; N462-F466 PolarHBondContact O-N 3.16Å; D463-F466 PolarHBondContact O-N 3.39Å; F466-H469 PolarHBondContact O-N 2.88Å; F466-S470 VanDerWaalsContact O-CB 3.23Å; F466-S470 WeakPolarHBondContact O-CB 3.16Å; F466-S470 PolarHBondContact O-N 2.83Å |
| 467 | T | 63.9 | Low | 64.2 | Low | 81 Ų | 81 | 100.9 Ų | 100.9 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 171.8 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | D463 V464 S470 V471 | D463-T467 WeakPolarHBondContact O-CB 3.35Å; D463-T467 WeakPolarHBondContact O-CG2 3.13Å; D463-T467 PolarHBondContact O-N 3.48Å; D463-T467 PolarHBondContact O-OG1 3.32Å; V464-T467 WeakPolarHBondContact CA-OG1 3.32Å; V464-T467 PolarHBondContact O-OG1 2.85Å; T467-S470 PolarHBondContact O-N 3.37Å; T467-V471 VanDerWaalsContact O-CB 3.27Å; T467-V471 WeakPolarHBondContact O-CB 3.26Å; T467-V471 WeakPolarHBondContact O-CG2 3.29Å; T467-V471 PolarHBondContact O-N 2.78Å |
| 468 | Q | 64.1 | Low | 63.2 | Low | 124 Ų | 124 | 99.4 Ų | 99.4 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 167.9 | -83.4 | -173.6 | -20.9 | 0 | 0 | 111.8 | V464 R465 V471 V472 | V464-Q468 VanDerWaalsContact O-CB 3.3Å; V464-Q468 WeakPolarHBondContact O-CB 3.22Å; V464-Q468 WeakPolarHBondContact O-CG 3.2Å; V464-Q468 PolarHBondContact O-N 3.45Å; R465-Q468 PolarHBondContact O-N 2.78Å; Q468-V471 PolarHBondContact O-N 2.76Å; Q468-V472 WeakPolarHBondContact O-CB 3.45Å; Q468-V472 WeakPolarHBondContact O-CG2 3.36Å; Q468-V472 PolarHBondContact O-N 2.86Å |
| 469 | H | 59.6 | Low | 61.6 | Low | 137 Ų | 137 | 100 Ų | 100 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -39 | 177.8 | -123.6 | -78.7 | 0 | 0 | 0 | 111.8 | R465 F466 V472 E473 | R465-H469 WeakPolarHBondContact O-CB 3.22Å; R465-H469 PolarHBondContact O-N 3.35Å; F466-H469 PolarHBondContact O-N 2.88Å; H469-V472 PolarHBondContact O-N 3.44Å; H469-E473 WeakPolarHBondContact O-CB 3.41Å; H469-E473 PolarHBondContact O-N 3.18Å |
| 470 | S | 61.6 | Low | 60.1 | Low | 51 Ų | 51 | 100 Ų | 100 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | F466 T467 M474 | F466-S470 VanDerWaalsContact O-CB 3.23Å; F466-S470 WeakPolarHBondContact O-CB 3.16Å; F466-S470 PolarHBondContact O-N 2.83Å; T467-S470 PolarHBondContact O-N 3.37Å; S470-M474 WeakPolarHBondContact O-CA 3.31Å; S470-M474 WeakPolarHBondContact O-CB 3.42Å; S470-M474 PolarHBondContact O-N 2.81Å |
| 471 | V | 57.8 | Low | 58.6 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 39% | 0.394 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 172.4 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | T467 Q468 M474 I475 | T467-V471 VanDerWaalsContact O-CB 3.27Å; T467-V471 WeakPolarHBondContact O-CB 3.26Å; T467-V471 WeakPolarHBondContact O-CG2 3.29Å; T467-V471 PolarHBondContact O-N 2.78Å; Q468-V471 PolarHBondContact O-N 2.76Å; V471-M474 HydrophobicContact CG2-CE 4.1Å; V471-M474 PolarHBondContact O-N 3.03Å; V471-I475 HydrophobicContact CG1-CD1 3.7Å; V471-I475 HydrophobicContact CG1-CG1 4.37Å; V471-I475 VanDerWaalsContact O-CB 3.25Å; V471-I475 WeakPolarHBondContact O-CB 3.36Å; V471-I475 WeakPolarHBondContact O-CD1 3.27Å; V471-I475 WeakPolarHBondContact O-CG1 3.49Å; V471-I475 PolarHBondContact O-N 3.15Å |
| 472 | V | 66.5 | Low | 56.9 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | Q468 H469 I475 N476 | Q468-V472 WeakPolarHBondContact O-CB 3.45Å; Q468-V472 WeakPolarHBondContact O-CG2 3.36Å; Q468-V472 PolarHBondContact O-N 2.86Å; H469-V472 PolarHBondContact O-N 3.44Å; V472-I475 PolarHBondContact O-N 2.96Å; V472-N476 VanDerWaalsContact O-CB 3.23Å; V472-N476 WeakPolarHBondContact O-CB 3.41Å; V472-N476 PolarHBondContact O-N 2.85Å; V472-N476 PolarHBondContact O-ND2 3.43Å |
| 473 | E | 60.3 | Low | 54.9 | Low | 68 Ų | 68 | 99.4 Ų | 99.4 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 175 | -170.7 | -173 | 171.3 | 0 | 0 | 111.1 | H469 N476 R477 R979 | H469-E473 WeakPolarHBondContact O-CB 3.41Å; H469-E473 PolarHBondContact O-N 3.18Å; E473-N476 PolarHBondContact O-N 3.32Å; E473-R477 VanDerWaalsContact O-CB 3.29Å; E473-R477 WeakPolarHBondContact O-CB 3.48Å; E473-R477 WeakPolarHBondContact O-CG 3.35Å; E473-R477 PolarHBondContact O-N 2.78Å; E473-R477 IonicContact OE1-CZ 2.76Å; E473-R477 IonicContact OE1-NH1 4Å; E473-R477 PolarHBondContact OE1-NH1 2.85Å; E473-R477 IonicContact OE1-NH2 2.76Å; E473-R477 PolarHBondContact OE1-NH2 3.34Å; E473-R979 IonicContact OE1-NH2 2.98Å |
| 474 | M | 60.3 | Low | 53.2 | Low | 107 Ų | 107 | 99.7 Ų | 99.7 | 53% | 0.527 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 173.1 | 175.9 | 163.5 | 59.4 | 0 | 0 | 111.6 | S470 V471 S478 | S470-M474 WeakPolarHBondContact O-CA 3.31Å; S470-M474 WeakPolarHBondContact O-CB 3.42Å; S470-M474 PolarHBondContact O-N 2.81Å; V471-M474 HydrophobicContact CG2-CE 4.1Å; V471-M474 PolarHBondContact O-N 3.03Å; M474-S478 WeakPolarHBondContact O-CB 3.26Å; M474-S478 PolarHBondContact O-N 3.38Å; M474-S478 PolarHBondContact O-OG 3.26Å |
| 475 | I | 56.4 | Low | 51.3 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 172 | -74.1 | 166.9 | 0 | 0 | 0 | 109.7 | V471 V472 S478 L479 | V471-I475 HydrophobicContact CG1-CD1 3.7Å; V471-I475 HydrophobicContact CG1-CG1 4.37Å; V471-I475 VanDerWaalsContact O-CB 3.25Å; V471-I475 WeakPolarHBondContact O-CB 3.36Å; V471-I475 WeakPolarHBondContact O-CD1 3.27Å; V471-I475 WeakPolarHBondContact O-CG1 3.49Å; V471-I475 PolarHBondContact O-N 3.15Å; V472-I475 PolarHBondContact O-N 2.96Å; I475-S478 CarbonylContact O-C 3.56Å; I475-S478 PolarHBondContact O-N 2.8Å; I475-L479 HydrophobicContact CG2-CD1 3.81Å; I475-L479 WeakPolarHBondContact O-CB 3.5Å; I475-L479 VanDerWaalsContact O-CD1 3.24Å; I475-L479 WeakPolarHBondContact O-CD1 3.36Å; I475-L479 PolarHBondContact O-N 2.84Å |
| 476 | N | 50.6 | Low | 49.7 | Very low | 97 Ų | 97 | 102.4 Ų | 102.4 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 178.3 | -71.8 | -18.6 | 0 | 0 | 0 | 112.2 | V472 E473 L479 A480 | V472-N476 VanDerWaalsContact O-CB 3.23Å; V472-N476 WeakPolarHBondContact O-CB 3.41Å; V472-N476 PolarHBondContact O-N 2.85Å; V472-N476 PolarHBondContact O-ND2 3.43Å; E473-N476 PolarHBondContact O-N 3.32Å; N476-L479 PolarHBondContact O-N 2.91Å; N476-A480 VanDerWaalsContact O-CB 3.25Å; N476-A480 WeakPolarHBondContact O-CB 3.43Å; N476-A480 PolarHBondContact O-N 3.27Å |
| 477 | R | 48.7 | Very low | 48 | Very low | 138 Ų | 138 | 99.1 Ų | 99.1 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 171.5 | -80 | -165.8 | 176.5 | 110.6 | 14 | 111.9 | E473 A480 A481 | E473-R477 VanDerWaalsContact O-CB 3.29Å; E473-R477 WeakPolarHBondContact O-CB 3.48Å; E473-R477 WeakPolarHBondContact O-CG 3.35Å; E473-R477 PolarHBondContact O-N 2.78Å; E473-R477 IonicContact OE1-CZ 2.76Å; E473-R477 IonicContact OE1-NH1 4Å; E473-R477 PolarHBondContact OE1-NH1 2.85Å; E473-R477 IonicContact OE1-NH2 2.76Å; E473-R477 PolarHBondContact OE1-NH2 3.34Å; R477-A480 PolarHBondContact O-N 2.92Å; R477-A481 WeakPolarHBondContact O-CB 3.18Å; R477-A481 PolarHBondContact O-N 3.04Å |
| 478 | S | 47.8 | Very low | 46.3 | Very low | 60 Ų | 60 | 104.7 Ų | 104.7 | 42% | 0.42 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -40.6 | 174.2 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | M474 I475 A480 A481 V482 | M474-S478 WeakPolarHBondContact O-CB 3.26Å; M474-S478 PolarHBondContact O-N 3.38Å; M474-S478 PolarHBondContact O-OG 3.26Å; I475-S478 CarbonylContact O-C 3.56Å; I475-S478 PolarHBondContact O-N 2.8Å; S478-A480 VanDerWaalsContact C-N 3.3Å; S478-A480 PolarHBondContact O-N 3.38Å; S478-A481 PolarHBondContact O-N 3.31Å; S478-V482 WeakPolarHBondContact O-CB 3.13Å; S478-V482 VanDerWaalsContact O-CG2 3.25Å; S478-V482 WeakPolarHBondContact O-CG2 3.47Å; S478-V482 PolarHBondContact O-N 2.83Å |
| 479 | L | 39.2 | Very low | 44.7 | Very low | 108 Ų | 108 | 106.2 Ų | 106.2 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.4 | -28.4 | 171.9 | -96.9 | 80 | 0 | 0 | 0 | 112.8 | I475 N476 | I475-L479 HydrophobicContact CG2-CD1 3.81Å; I475-L479 WeakPolarHBondContact O-CB 3.5Å; I475-L479 VanDerWaalsContact O-CD1 3.24Å; I475-L479 WeakPolarHBondContact O-CD1 3.36Å; I475-L479 PolarHBondContact O-N 2.84Å; N476-L479 PolarHBondContact O-N 2.91Å |
| 480 | A | 42.3 | Very low | 43.3 | Very low | 86 Ų | 86 | 105.7 Ų | 105.7 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.3 | -18.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | N476 R477 S478 | N476-A480 VanDerWaalsContact O-CB 3.25Å; N476-A480 WeakPolarHBondContact O-CB 3.43Å; N476-A480 PolarHBondContact O-N 3.27Å; R477-A480 PolarHBondContact O-N 2.92Å; S478-A480 VanDerWaalsContact C-N 3.3Å; S478-A480 PolarHBondContact O-N 3.38Å |
| 481 | A | 41.5 | Very low | 41.9 | Very low | 83 Ų | 83 | 108.1 Ų | 108.1 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -101.3 | -14.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R477 S478 | R477-A481 WeakPolarHBondContact O-CB 3.18Å; R477-A481 PolarHBondContact O-N 3.04Å; S478-A481 PolarHBondContact O-N 3.31Å |
| 482 | V | 34.9 | Very low | 40.5 | Very low | 87 Ų | 87 | 111.5 Ų | 111.5 | 53% | 0.527 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -87.6 | 107 | 164.8 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | S478 I484 | S478-V482 WeakPolarHBondContact O-CB 3.13Å; S478-V482 VanDerWaalsContact O-CG2 3.25Å; S478-V482 WeakPolarHBondContact O-CG2 3.47Å; S478-V482 PolarHBondContact O-N 2.83Å; V482-I484 VanDerWaalsContact C-N 3.25Å; V482-I484 HydrophobicContact CB-CG1 4.4Å; V482-I484 HydrophobicContact CG1-CD1 4.41Å; V482-I484 HydrophobicContact CG1-CG1 3.68Å; V482-I484 PolarHBondContact O-N 2.96Å |
| 483 | D | 28 | Very low | 38.6 | Very low | 160 Ų | 160 | 115 Ų | 115 | 86% | 0.856 | 62% | 0.624 | S | S | * | * | trans | -61.8 | 88.6 | 166.8 | -91.7 | -45.3 | 0 | 0 | 0 | 109.3 | E485 | D483-E485 PolarHBondContact O-N 3.31Š| ||
| 484 | I | 32 | Very low | 37.3 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 57% | 0.569 | 65% | 0.645 | S | S | * | * | trans | -79 | 82.2 | 169.2 | -58.5 | -176.9 | 0 | 0 | 0 | 107.4 | V482 H486 | V482-I484 VanDerWaalsContact C-N 3.25Å; V482-I484 HydrophobicContact CB-CG1 4.4Å; V482-I484 HydrophobicContact CG1-CD1 4.41Å; V482-I484 HydrophobicContact CG1-CG1 3.68Å; V482-I484 PolarHBondContact O-N 2.96Å; I484-H486 HydrophobicContact CG2-CB 3.86Å; I484-H486 PolarHBondContact O-N 2.67Å | ||
| 485 | E | 27.8 | Very low | 35.7 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 56% | 0.556 | 67% | 0.666 | S | S | * | * | trans | -61 | 70 | 153.3 | -72.7 | -172.4 | 138.3 | 0 | 0 | 109.4 | D483 T677 | D483-E485 PolarHBondContact O-N 3.31Å; E485-T677 WeakPolarHBondContact OE2-CG2 3.49Å | ||
| 486 | H | 34.1 | Very low | 34.3 | Very low | 167 Ų | 167 | 126 Ų | 126 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -138.3 | 117.3 | 162.8 | -88.6 | 74.9 | 0 | 0 | 0 | 110.7 | I484 | I484-H486 HydrophobicContact CG2-CB 3.86Å; I484-H486 PolarHBondContact O-N 2.67Å | ||
| 487 | S | 30.3 | Very low | 33.2 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 52% | 0.517 | 68% | 0.679 | S | S | . | * | trans | -57 | 147.9 | 178.8 | 60 | 0 | 0 | 0 | 0 | 114.2 | E489 | S487-E489 PolarHBondContact O-N 3.47Š| ||
| 488 | R | 29.6 | Very low | 32.2 | Very low | 197 Ų | 197 | 127.7 Ų | 127.7 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -28.2 | 114.9 | 163.3 | -68.3 | 173.1 | 170.3 | 162.3 | -0.5 | 115.9 | ||||
| 489 | E | 29.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -165.4 | 135.4 | 146.3 | -107.7 | 172.6 | -148.1 | 0 | 0 | 104.5 | S487 | S487-E489 PolarHBondContact O-N 3.47Š| ||
| 490 | V | 30.8 | Very low | 30.7 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | cis | -146.3 | 153.5 | 25.5 | -177 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 491 | S | 31.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -66.4 | 168.8 | 173.6 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 492 | P | 29 | Very low | 29.5 | Very low | 137 Ų | 137 | 128 Ų | 128 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -74.6 | 134 | -160.8 | 30 | -34.7 | 0 | 0 | 0 | 113.8 | ||||
| 493 | L | 27.5 | Very low | 29.3 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -112.6 | 135.4 | 176.1 | -113.7 | 165.8 | 0 | 0 | 0 | 111 | ||||
| 494 | R | 31.1 | Very low | 29.5 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | trans | 73.9 | 67.3 | 167.9 | -50.8 | -178.3 | -161.7 | -119.9 | 1.2 | 117.8 | A496 | R494-A496 VanDerWaalsContact C-N 3.26Š| ||
| 495 | K | 27.3 | Very low | 29.3 | Very low | 224 Ų | 224 | 136.2 Ų | 136.2 | 97% | 0.974 | 75% | 0.752 | S | S | * | * | S | Bend | -91.8 | 66.1 | 129.8 | -158.1 | 173.1 | -169.3 | 175 | 0 | 109.2 | |||
| 496 | A | 26.8 | Very low | 29.6 | Very low | 68 Ų | 68 | 136 Ų | 136 | 56% | 0.562 | 76% | 0.762 | S | S | * | * | trans | -157.9 | 147.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R494 | R494-A496 VanDerWaalsContact C-N 3.26Š| ||
| 497 | I | 28.4 | Very low | 29.3 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 68% | 0.677 | 76% | 0.761 | S | S | * | * | trans | 74.9 | 57.1 | 176.4 | -37.4 | 179.1 | 0 | 0 | 0 | 114.4 | A499 | I497-A499 HydrophobicContact CG2-CB 3.86Å; I497-A499 PolarHBondContact O-N 2.99Å; I497-A499 VanDerWaalsContact O-N 3.16Å | ||
| 498 | S | 26.4 | Very low | 29.2 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 97% | 0.965 | 77% | 0.77 | S | S | * | * | -68 | 84.3 | 129.7 | -62.3 | 0 | 0 | 0 | 0 | 108 | |||||
| 499 | A | 29.1 | Very low | 29.1 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 57% | 0.57 | 77% | 0.774 | S | S | * | * | trans | -153.1 | 106.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I497 | I497-A499 HydrophobicContact CG2-CB 3.86Å; I497-A499 PolarHBondContact O-N 2.99Å; I497-A499 VanDerWaalsContact O-N 3.16Å | ||
| 500 | S | 27 | Very low | 29.1 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -36.4 | 131.9 | 160.2 | 49.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 501 | G | 29.5 | Very low | 28.8 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -166.8 | 0.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 502 | G | 29.6 | Very low | 28.7 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 73.4 | 152.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 503 | L | 31.1 | Very low | 28.6 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | 60.3 | 124.8 | 142.6 | -49 | 169.1 | 0 | 0 | 0 | 117.8 | ||||
| 504 | D | 32.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | cis | -158.6 | 166.3 | 3 | -104.1 | -38.2 | 0 | 0 | 0 | 112.1 | ||||
| 505 | R | 28.4 | Very low | 28.2 | Very low | 233 Ų | 233 | 131.3 Ų | 131.3 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -49.4 | 170.2 | 162.7 | -102.5 | 176.1 | 165.2 | 174.3 | -5.2 | 113.5 | ||||
| 506 | P | 33.1 | Very low | 28 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | cis | -139 | 179.4 | 17.2 | 29.8 | -5 | 0 | 0 | 0 | 118 | ||||
| 507 | S | 27.1 | Very low | 28 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -53.7 | 152.3 | 171.6 | 54.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 508 | S | 29.2 | Very low | 28 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | -173.2 | 129.4 | 108.3 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 509 | N | 27 | Very low | 27.9 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 37.1 | 117 | 147.2 | -53.7 | -8.2 | 0 | 0 | 0 | 120.3 | ||||
| 510 | I | 29.1 | Very low | 27.8 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | -163 | 108.4 | 128.5 | -90.7 | 141.2 | 0 | 0 | 0 | 109.3 | |||||
| 511 | I | 25.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 131 Ų | 131 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | trans | 15.2 | 123.6 | 137.9 | -49 | 164.1 | 0 | 0 | 0 | 117.8 | L513 | I511-L513 HydrophobicContact CG2-CG 3.97Š| ||
| 512 | P | 27.9 | Very low | 27.8 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -106.7 | 133.6 | 135.1 | -6.5 | 25.8 | 0 | 0 | 0 | 111.1 | ||||
| 513 | L | 28.7 | Very low | 27.8 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -76.4 | 144.2 | -174.9 | -75.2 | 142.7 | 0 | 0 | 0 | 113.2 | I511 | I511-L513 HydrophobicContact CG2-CG 3.97Š| ||
| 514 | S | 21.9 | Very low | 27.7 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -79.6 | 128.5 | 163.4 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 515 | L | 27.2 | Very low | 27.4 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -163.2 | 101.2 | 161.6 | -138.8 | 68.8 | 0 | 0 | 0 | 106.1 | ||||
| 516 | S | 24 | Very low | 27.3 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | 68.4 | 136.9 | 65.3 | 83.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 517 | R | 27.1 | Very low | 27.2 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 59% | 0.592 | 74% | 0.743 | S | S | * | * | trans | 83.4 | 110.6 | -176.4 | -63.3 | 179.6 | 170.3 | 162.6 | -4.3 | 114.8 | P1158 | R517-P1158 PolarHBondContact NH2-O 3.39Š| ||
| 518 | T | 27.2 | Very low | 27.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | 83 | 113.3 | 52.8 | 65.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 519 | N | 23.9 | Very low | 27.3 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | 46.9 | 103.3 | 145.1 | -62 | -4.7 | 0 | 0 | 0 | 121 | ||||
| 520 | A | 28.2 | Very low | 27.5 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | trans | -156 | 93.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 521 | T | 28 | Very low | 27.5 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 87% | 0.871 | 73% | 0.732 | S | S | * | * | 36.2 | 88.7 | 94.8 | -37.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 522 | Y | 28.3 | Very low | 27.7 | Very low | 224 Ų | 224 | 133.2 Ų | 133.2 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | trans | -101.7 | 92.5 | 177.2 | -126.8 | -95.3 | 0 | 0 | 0 | 112.1 | ||||
| 523 | G | 28.3 | Very low | 27.9 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -142.2 | 112.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 524 | G | 30.1 | Very low | 27.9 | Very low | 52 Ų | 52 | 129.2 Ų | 129.2 | 54% | 0.536 | 72% | 0.724 | S | S | . | * | trans | 167.8 | 38.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | N526 | G524-N526 PolarHBondContact O-N 2.96Š| ||
| 525 | F | 25.4 | Very low | 28.1 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 80.8 | 161.9 | -107.7 | -85.4 | 0 | 0 | 0 | 109 | ||
| 526 | N | 27.3 | Very low | 28.1 | Very low | 95 Ų | 95 | 130 Ų | 130 | 51% | 0.508 | 73% | 0.729 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -167.9 | -5.2 | 159.7 | -98.9 | -10 | 0 | 0 | 0 | 115.5 | G524 | G524-N526 PolarHBondContact O-N 2.96Š|
| 527 | T | 30.1 | Very low | 28.4 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -106.1 | 6.5 | -175.6 | 44.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 528 | L | 27.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -105.6 | 9.1 | -179.9 | -78.2 | 174.5 | 0 | 0 | 0 | 115.8 | ||
| 529 | F | 31.3 | Very low | 28.8 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -113.5 | -12.6 | 174.4 | -138.7 | -94 | 0 | 0 | 0 | 115.3 | ||
| 530 | E | 31 | Very low | 29 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -95.9 | -18.8 | 174.9 | -65.2 | -157.9 | 129.9 | 0 | 0 | 114.1 | K1668 | E530-K1668 IonicContact OE2-NZ 2.7Å; E530-K1668 PolarHBondContact OE2-NZ 2.75Å |
| 531 | N | 30.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 15.5 | -175.6 | -78.8 | -26.4 | 0 | 0 | 0 | 116 | ||
| 532 | M | 29.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 25.1 | 167.1 | -83.9 | -170.5 | -77.2 | 0 | 0 | 113 | ||
| 533 | S | 31.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -142.3 | 41.2 | 172.7 | -75.6 | 0 | 0 | 0 | 0 | 113 | ||
| 534 | S | 28.3 | Very low | 29.7 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -140.5 | 143.5 | 155 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 535 | S | 26.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 68.6 | 59.8 | 172.7 | -164.4 | 0 | 0 | 0 | 0 | 120.1 | ||
| 536 | I | 27.5 | Very low | 29.9 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | -136 | 94.7 | 120.8 | -55.9 | -176.4 | 0 | 0 | 0 | 108.5 | |||||
| 537 | N | 30.1 | Very low | 29.9 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -177.7 | 78.8 | 148.2 | -96.6 | -21.2 | 0 | 0 | 0 | 110.9 | ||||
| 538 | N | 31.1 | Very low | 30 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -164.1 | 133.9 | 142.3 | -104.3 | -36.2 | 0 | 0 | 0 | 107.3 | ||||
| 539 | P | 30.5 | Very low | 30 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | -133.9 | 121.8 | 90.8 | 32.1 | -18.5 | 0 | 0 | 0 | 114.5 | |||||
| 540 | V | 29.6 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 50.1 | 109.8 | 112.2 | -178.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 541 | A | 32.7 | Very low | 29.5 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -127.3 | 117.5 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 542 | S | 32.2 | Very low | 29.2 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 1.5 | 146.5 | 136.2 | 56.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 543 | S | 29.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | 176.7 | -176.4 | 2.1 | 48.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 544 | I | 32.7 | Very low | 29.1 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 82.6 | 95.6 | 171.3 | -51.8 | 156.4 | 0 | 0 | 0 | 112.2 | ||||
| 545 | Y | 31.7 | Very low | 29.2 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | 77.8 | 116.2 | 82.5 | -98.6 | -83.7 | 0 | 0 | 0 | 115.4 | |||||
| 546 | D | 27.7 | Very low | 29.3 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | trans | 26 | 111.9 | 144.8 | -52.9 | -13.6 | 0 | 0 | 0 | 119.9 | ||||
| 547 | N | 28.4 | Very low | 29.4 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | -177.4 | 161.2 | 85.1 | -105.2 | -53.7 | 0 | 0 | 0 | 111.8 | |||||
| 548 | P | 31.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | -85.5 | -177.5 | -177.3 | 37 | -35.5 | 0 | 0 | 0 | 112.6 | ||||
| 549 | T | 26.7 | Very low | 29.3 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | 113.4 | 109.6 | 155.1 | -35.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 550 | S | 25.2 | Very low | 29.3 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 66.8 | 150.4 | 142.3 | 65.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 551 | E | 27.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | 71.4 | 107.3 | 160.5 | -69.2 | 164.6 | -160.7 | 0 | 0 | 115.7 | ||||
| 552 | S | 25 | Very low | 28.9 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | 60.8 | 102.2 | 72.5 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 553 | I | 31.5 | Very low | 28.9 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | -156.3 | 133.3 | 128.9 | -98.4 | 142.6 | 0 | 0 | 0 | 109 | |||||
| 554 | V | 26.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -79.7 | 133.1 | 172.2 | 170.7 | 0 | 0 | 0 | 0 | 108.8 | T556 | V554-T556 HydrophobicContact CG1-CG2 3.78Š| ||
| 555 | S | 30.5 | Very low | 29 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -144.8 | 74 | 157.2 | -69.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 556 | T | 28.5 | Very low | 29 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | -22.1 | 130.6 | 129.7 | 43.9 | 0 | 0 | 0 | 0 | 113.9 | V554 | V554-T556 HydrophobicContact CG1-CG2 3.78Š| |||
| 557 | E | 28.7 | Very low | 29.1 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -178.7 | 159.2 | 120.3 | -97.3 | 161.5 | -156.5 | 0 | 0 | 110.9 | |||||
| 558 | L | 33.1 | Very low | 29.1 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 61.9 | 80.8 | 173.1 | -61.3 | 151.8 | 0 | 0 | 0 | 114.8 | ||||
| 559 | N | 27.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | 71.4 | 136.8 | 42.5 | -143.5 | 29.3 | 0 | 0 | 0 | 114.3 | ||||
| 560 | E | 28.7 | Very low | 29 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | 80.8 | 93.3 | 169.5 | -58.1 | -173.3 | 159.6 | 0 | 0 | 120.3 | ||||
| 561 | T | 26.5 | Very low | 29 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | trans | 58.8 | 91.9 | 135.7 | 48.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 562 | V | 27.7 | Very low | 29 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -124.4 | 34.3 | 141.9 | -165.2 | 0 | 0 | 0 | 0 | 111 | E564 L565 | V562-E564 PolarHBondContact O-N 3.27Å; V562-L565 HydrophobicContact CG1-CB 4.1Å; V562-L565 HydrophobicContact CG1-CD1 4.22Å; V562-L565 HydrophobicContact CG1-CG 4.47Å | ||
| 563 | A | 33 | Very low | 29.3 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -79.6 | -1.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 564 | E | 34.5 | Very low | 29.1 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -111.7 | -2.2 | -171.1 | -60.9 | -163.3 | 143.2 | 0 | 0 | 115 | V562 | V562-E564 PolarHBondContact O-N 3.27Š|
| 565 | L | 29.6 | Very low | 29.3 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -112.6 | 19.3 | -169.4 | -66.4 | -179.4 | 0 | 0 | 0 | 116.7 | V562 | V562-L565 HydrophobicContact CG1-CB 4.1Å; V562-L565 HydrophobicContact CG1-CD1 4.22Å; V562-L565 HydrophobicContact CG1-CG 4.47Å |
| 566 | R | 31.8 | Very low | 29.1 | Very low | 226 Ų | 226 | 141 Ų | 141 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -126 | 15.8 | 170.9 | -72 | -166 | 178 | -168.8 | 1.4 | 116.3 | ||
| 567 | F | 30.5 | Very low | 29.1 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -109.9 | 106.2 | 162.3 | -88.8 | -84.3 | 0 | 0 | 0 | 110 | ||||
| 568 | G | 28 | Very low | 29.1 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -163.5 | 58.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 569 | C | 25.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -141.8 | 161.5 | 158.3 | -118.7 | 0 | 0 | 0 | 0 | 108.5 | ||
| 570 | P | 29.5 | Very low | 28.6 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -91.3 | 166.3 | -117.1 | -10.4 | 29.1 | 0 | 0 | 0 | 117.1 | |||||
| 571 | R | 25.7 | Very low | 28.5 | Very low | 250 Ų | 250 | 139.2 Ų | 139.2 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -95.4 | 156 | 177.9 | -80.9 | 177.4 | 163.7 | 164.8 | -3.6 | 113.4 | ||||
| 572 | S | 25.7 | Very low | 28.4 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 121.8 | 145.8 | 137.2 | -157.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 573 | P | 31.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -117.8 | 141.3 | 0.4 | 36.7 | -22.9 | 0 | 0 | 0 | 115.2 | ||||
| 574 | V | 26.9 | Very low | 28 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -120.6 | 118.4 | 156.8 | 174.7 | 0 | 0 | 0 | 0 | 108.2 | T576 | V574-T576 PolarHBondContact O-N 2.89Š| ||
| 575 | S | 30.3 | Very low | 27.7 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -78.7 | 112.5 | -170.6 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 576 | T | 27 | Very low | 27.6 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -24.4 | 135.6 | 161.1 | 50.7 | 0 | 0 | 0 | 0 | 118.5 | V574 | V574-T576 PolarHBondContact O-N 2.89Š| ||
| 577 | N | 28.3 | Very low | 27.4 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 153.5 | 135.7 | 138.4 | -80.5 | -29.5 | 0 | 0 | 0 | 110.5 | ||||
| 578 | L | 28.5 | Very low | 27.5 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -159.8 | 135.5 | 2.3 | -99.6 | 156 | 0 | 0 | 0 | 111.6 | ||||
| 579 | K | 27.2 | Very low | 27.5 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 52.3 | 149.4 | 141.7 | -72.5 | 179.6 | -178.3 | 178.4 | 0 | 125.8 | ||||
| 580 | C | 22.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -50.3 | 166.7 | 165.1 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 581 | T | 26.7 | Very low | 27.7 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | -163.5 | 139.2 | 57.2 | 48.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 582 | S | 25.1 | Very low | 28 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 25.5 | 139.2 | 139.6 | 71.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 583 | R | 25.8 | Very low | 28.3 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | 101.1 | 121.4 | 129.3 | -156.8 | 167.8 | -179 | 153.7 | 12.8 | 121.1 | |||||
| 584 | E | 26.4 | Very low | 28.2 | Very low | 125 Ų | 125 | 143 Ų | 143 | 58% | 0.584 | 76% | 0.761 | S | S | * | * | trans | 71.3 | 131.9 | 145.7 | -77.3 | 163.8 | -165.2 | 0 | 0 | 125.7 | ||||
| 585 | H | 29 | Very low | 28.3 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | 73.5 | 126.5 | 139.3 | -68.3 | -54.7 | 0 | 0 | 0 | 126.8 | ||||
| 586 | S | 27.1 | Very low | 28.2 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 64.6 | 113 | 135.4 | 64 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 587 | Y | 27.7 | Very low | 28.2 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | 27.2 | 112.5 | 113.1 | -121.6 | -80.8 | 0 | 0 | 0 | 119.3 | |||||
| 588 | L | 32.1 | Very low | 28.3 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | 173.8 | 138.8 | 112.2 | -115.2 | 97.9 | 0 | 0 | 0 | 114.3 | |||||
| 589 | D | 28.2 | Very low | 28.2 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | trans | 49.4 | 121.2 | 140.5 | -70.9 | -1.2 | 0 | 0 | 0 | 128.1 | ||||
| 590 | I | 29.6 | Very low | 28.3 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | 56.3 | 107.1 | 123.9 | -44.7 | 162.3 | 0 | 0 | 0 | 120.4 | |||||
| 591 | T | 29.9 | Very low | 28.5 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | 171.6 | 152.5 | 114.2 | 32.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 592 | K | 31.3 | Very low | 28.7 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -85.7 | 173.3 | 167.5 | -67 | -179.7 | 176.2 | 175.6 | 0 | 110 | ||||
| 593 | P | 33.3 | Very low | 28.8 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -140.4 | -173.1 | 12.5 | 41.4 | -20.6 | 0 | 0 | 0 | 117.2 | ||||
| 594 | L | 28.2 | Very low | 28.9 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 2.6 | 128.7 | 161.4 | -81.8 | 75.9 | 0 | 0 | 0 | 118 | ||||
| 595 | S | 29.6 | Very low | 29 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | 174.1 | 162.5 | 68.3 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 596 | R | 27.6 | Very low | 29 | Very low | 223 Ų | 223 | 152.7 Ų | 152.7 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | 65.1 | 122.1 | 156.5 | -103.4 | -173 | 170.8 | 136.3 | -1.2 | 121.4 | ||||
| 597 | N | 27.6 | Very low | 29 | Very low | 126 Ų | 126 | 155 Ų | 155 | 67% | 0.674 | 81% | 0.807 | S | S | * | * | trans | 81.8 | 134.4 | 141.3 | -66.1 | -7 | 0 | 0 | 0 | 121.5 | ||||
| 598 | Q | 31.1 | Very low | 28.8 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 70.4 | 96.9 | 148.1 | -72 | 171.7 | -19 | 0 | 0 | 120 | ||||
| 599 | A | 25.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 150.9 Ų | 150.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 3.5 | 125.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 600 | M | 28.5 | Very low | 28.5 | Very low | 196 Ų | 196 | 152.1 Ų | 152.1 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | -163.2 | 179.7 | 107.7 | -109.8 | -164.5 | 168.8 | 0 | 0 | 112.6 | |||||
| 601 | N | 28.8 | Very low | 28.3 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 81% | 0.807 | 82% | 0.819 | S | S | * | * | trans | -108.7 | 165.6 | -147.4 | -121.1 | -33.9 | 0 | 0 | 0 | 115.5 | ||||
| 602 | K | 29 | Very low | 28.3 | Very low | 198 Ų | 198 | 160.3 Ų | 160.3 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 71.6 | 155.1 | 163.5 | -68.4 | 175.1 | 175 | 179.9 | 0 | 118.9 | ||||
| 603 | A | 28.3 | Very low | 28.1 | Very low | 95 Ų | 95 | 159.3 Ų | 159.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | cis | -178.6 | 127.6 | -32.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 604 | A | 27.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 160 Ų | 160 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -161.9 | 90.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 605 | I | 29.5 | Very low | 27.9 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -0.4 | 113.1 | 153.5 | -57 | 159 | 0 | 0 | 0 | 116.9 | ||||
| 606 | R | 27.9 | Very low | 27.7 | Very low | 240 Ų | 240 | 160.3 Ų | 160.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -148.6 | 132.2 | 149.9 | -105.2 | -177 | -177.8 | 166 | 2.2 | 110 | ||||
| 607 | N | 26.7 | Very low | 27.7 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -63.5 | 134 | 173.6 | -64.4 | -32.2 | 0 | 0 | 0 | 110.8 | ||||
| 608 | I | 25 | Very low | 27.7 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -167.9 | 139.3 | 154.4 | -99.3 | 145.3 | 0 | 0 | 0 | 109.3 | ||||
| 609 | S | 28.4 | Very low | 27.7 | Very low | 99 Ų | 99 | 153.1 Ų | 153.1 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -67.5 | 154.7 | 172 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 610 | L | 24.8 | Very low | 27.9 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | 153.7 | 122.7 | 131.8 | -80.1 | 164.8 | 0 | 0 | 0 | 115.1 | ||||
| 611 | R | 24.8 | Very low | 27.6 | Very low | 220 Ų | 220 | 152.9 Ų | 152.9 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | 39.3 | 113.1 | 136 | -63.4 | -177.1 | 173.5 | -161.8 | -3.4 | 121.9 | ||||
| 612 | R | 31 | Very low | 27.5 | Very low | 223 Ų | 223 | 150.7 Ų | 150.7 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | 57.2 | 139.4 | 113.9 | -153.3 | -168.3 | -69.9 | -172.5 | -0.3 | 120.7 | |||||
| 613 | K | 27.3 | Very low | 27.4 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | 101.1 | 152.5 | 163.4 | -66.3 | -178.4 | 171.7 | -173.2 | 0 | 115.9 | ||||
| 614 | L | 26.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -158.5 | 136.7 | 4.6 | -113.2 | 146 | 0 | 0 | 0 | 110 | ||||
| 615 | F | 29.4 | Very low | 27.6 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | 43.3 | 145 | 133.9 | -75.6 | -122 | 0 | 0 | 0 | 124.6 | ||||
| 616 | G | 26.4 | Very low | 27.5 | Very low | 82 Ų | 82 | 150.8 Ų | 150.8 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -159.5 | 117.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 617 | A | 27.4 | Very low | 27.5 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -117.1 | 153 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 618 | S | 26.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -147.6 | 120.8 | 158.1 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 619 | Q | 30.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -76.7 | 156.4 | 171 | -104.3 | -162.4 | 15.4 | 0 | 0 | 110.6 | ||||
| 620 | P | 30.4 | Very low | 27.6 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -148.7 | 143.1 | 73.2 | 37.2 | -16.8 | 0 | 0 | 0 | 119.1 | |||||
| 621 | K | 23.6 | Very low | 27.5 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | 28.3 | 113 | 133 | -68.8 | -177.5 | 176.4 | -178.8 | 0 | 121.1 | ||||
| 622 | S | 26.3 | Very low | 27.5 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 42.3 | 119.4 | 126.1 | 65.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 623 | Q | 26.4 | Very low | 27.2 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | -159.6 | 142.4 | 117.9 | -118 | 167.5 | -19.6 | 0 | 0 | 112.6 | |||||
| 624 | T | 29.5 | Very low | 27.1 | Very low | 142 Ų | 142 | 134 Ų | 134 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 155.2 | 174 | 37.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 625 | G | 29.9 | Very low | 27 | Very low | 74 Ų | 74 | 136.2 Ų | 136.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -174.7 | 95.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 626 | N | 28.6 | Very low | 26.8 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -68.5 | 139.4 | 171.8 | -67.9 | -10.5 | 0 | 0 | 0 | 110.1 | ||||
| 627 | F | 27.2 | Very low | 26.8 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -146.5 | 112.2 | 149.9 | -111 | -82.3 | 0 | 0 | 0 | 109 | ||||
| 628 | V | 34.6 | Very low | 26.9 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -105.5 | 126.6 | 170.5 | 167.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 629 | E | 24.6 | Very low | 27.1 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -162.9 | 137.6 | 167.7 | -117.7 | 178.9 | 161.5 | 0 | 0 | 112.3 | ||||
| 630 | S | 23.6 | Very low | 26.9 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | 69.8 | 96.2 | 142.8 | -55.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 631 | S | 22.5 | Very low | 27.2 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 32.4 | 128.1 | 109.7 | -49.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 632 | S | 25.6 | Very low | 27.5 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 85.7 | 140.3 | 131.2 | -161.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 633 | M | 24.1 | Very low | 27.6 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 84.7 | 102 | 162 | -60.4 | -127.5 | 72.5 | 0 | 0 | 121.4 | ||||
| 634 | C | 24.1 | Very low | 27.8 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 68% | 0.676 | 78% | 0.779 | S | S | * | * | trans | 54.6 | 133.2 | 130.7 | -68.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 635 | E | 24.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 73.6 | 131.5 | 140.2 | -69.3 | -176.5 | 160.9 | 0 | 0 | 123 | ||||
| 636 | D | 26.2 | Very low | 27.8 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | 50.2 | 125.1 | 157.6 | -66.8 | -13.9 | 0 | 0 | 0 | 120.1 | ||||
| 637 | F | 26.9 | Very low | 27.6 | Very low | 198 Ų | 198 | 147 Ų | 147 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | -173.1 | 169.1 | 75.7 | -92.7 | -73.2 | 0 | 0 | 0 | 113.4 | |||||
| 638 | K | 28.2 | Very low | 27.6 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 139.6 | -168.6 | -63.1 | 169.3 | 178.6 | 172.4 | 0 | 117.6 | ||||
| 639 | T | 32.1 | Very low | 27.3 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 53.3 | 118.9 | 143.4 | 59.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 640 | S | 27.2 | Very low | 27.3 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -176.9 | 144.6 | 132.7 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 641 | E | 34.9 | Very low | 27.4 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -78.6 | 158.6 | 172.4 | -57.9 | 176 | 121.2 | 0 | 0 | 113.4 | ||||
| 642 | Q | 30.4 | Very low | 27.5 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 61% | 0.607 | 79% | 0.787 | S | S | * | * | -175.2 | 122.2 | 129.4 | -104.1 | 177.5 | 28 | 0 | 0 | 115.2 | |||||
| 643 | N | 28.5 | Very low | 27.4 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 40.4 | 113.1 | 139.8 | -69.1 | -45.8 | 0 | 0 | 0 | 122.8 | ||||
| 644 | V | 31.3 | Very low | 27.5 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | -141.3 | 133 | 135.1 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 645 | K | 29.5 | Very low | 27.5 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -64.5 | 148.1 | -172.4 | -55.6 | 157.7 | 177.9 | 173.5 | 0 | 116.6 | ||||
| 646 | K | 28.3 | Very low | 27.8 | Very low | 203 Ų | 203 | 155.7 Ų | 155.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -174 | 122.2 | 123.7 | -105.4 | 167.6 | -179.2 | 178.8 | 0 | 116.7 | |||||
| 647 | S | 26.3 | Very low | 27.8 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 52.4 | 100.6 | 143.9 | -65.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 648 | E | 25.9 | Very low | 27.9 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | 40.1 | 111.2 | 121.7 | -61.7 | 174.9 | 147.6 | 0 | 0 | 121.6 | |||||
| 649 | V | 28.3 | Very low | 27.9 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | -143.5 | 142.4 | 116.1 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 650 | L | 25.1 | Very low | 27.6 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 132.6 | -176.6 | -75.9 | 143.9 | 0 | 0 | 0 | 113.4 | ||||
| 651 | F | 25.6 | Very low | 27.7 | Very low | 210 Ų | 210 | 152.6 Ų | 152.6 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -150.5 | 147.4 | 140.4 | -99.2 | -75.9 | 0 | 0 | 0 | 109.6 | ||||
| 652 | H | 24.3 | Very low | 27.2 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | trans | -99.3 | 129.3 | -172.1 | -70.2 | -9.6 | 0 | 0 | 0 | 112.9 | ||||
| 653 | S | 23.7 | Very low | 27 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -156.9 | 125.3 | 156.9 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 654 | F | 25.9 | Very low | 26.9 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 121.6 | -174.9 | -75.4 | -100.4 | 0 | 0 | 0 | 112.4 | ||||
| 655 | T | 25.3 | Very low | 26.7 | Very low | 138 Ų | 138 | 156.7 Ų | 156.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -136.2 | 114.4 | 152.4 | 50 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 656 | E | 29.8 | Very low | 26.6 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -115.7 | 126 | -172.6 | -158.5 | 164.4 | -139.2 | 0 | 0 | 109.8 | ||||
| 657 | D | 26.8 | Very low | 26.8 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 134.8 | -175.4 | -57.4 | -74.6 | 0 | 0 | 0 | 112.5 | ||||
| 658 | I | 28.6 | Very low | 26.8 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -131 | 128.8 | 162.9 | -58.1 | -175.4 | 0 | 0 | 0 | 110.7 | ||||
| 659 | H | 29 | Very low | 27.2 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 50% | 0.5 | 78% | 0.784 | S | S | . | * | trans | -80.8 | 163.8 | -173.3 | -81.9 | -100.1 | 0 | 0 | 0 | 114.7 | V661 | H659-V661 PolarHBondContact O-N 3.41Š| ||
| 660 | D | 25 | Very low | 27.2 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -44.8 | 120.9 | 167.1 | -67.8 | -55.7 | 0 | 0 | 0 | 113.4 | ||||
| 661 | V | 28.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 60% | 0.6 | 77% | 0.768 | S | S | * | * | trans | -140 | 110.9 | 158.6 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | H659 F663 | H659-V661 PolarHBondContact O-N 3.41Å; V661-F663 HydrophobicContact CG1-CD2 3.51Å; V661-F663 HydrophobicContact CG1-CE2 3.64Å; V661-F663 PolarHBondContact O-N 2.83Å | ||
| 662 | T | 25.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -68.4 | 119.6 | 169.2 | 45.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 663 | F | 26 | Very low | 28.2 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 77% | 0.768 | 75% | 0.752 | S | S | * | * | trans | -139.2 | 125.5 | 167.5 | -97.7 | -70.6 | 0 | 0 | 0 | 116.1 | V661 | V661-F663 HydrophobicContact CG1-CD2 3.51Å; V661-F663 HydrophobicContact CG1-CE2 3.64Å; V661-F663 PolarHBondContact O-N 2.83Å | ||
| 664 | N | 26.7 | Very low | 28.6 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -5.8 | 110.5 | 164.4 | -67.1 | -32.3 | 0 | 0 | 0 | 120.3 | S666 | N664-S666 PolarHBondContact O-N 3.23Š| ||
| 665 | R | 26.3 | Very low | 28.9 | Very low | 246 Ų | 246 | 140.2 Ų | 140.2 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -15.1 | 80.8 | 130.3 | -166.2 | -173.2 | -147.1 | -155.1 | 4.4 | 115.6 | ||
| 666 | S | 27.9 | Very low | 29.5 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -178.5 | 83 | 156.5 | -83.6 | 0 | 0 | 0 | 0 | 113 | N664 | N664-S666 PolarHBondContact O-N 3.23Š| ||
| 667 | T | 32 | Very low | 29.9 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 90% | 0.896 | 71% | 0.705 | S | S | * | * | trans | 167.4 | 103.8 | 145.5 | 28.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 668 | R | 27.9 | Very low | 30.3 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -73.6 | 125 | 171.2 | -75.3 | 178.1 | 174.8 | 151.3 | -2.7 | 109.8 | D699 | R668-D699 IonicContact NH1-OD1 3.09Å; R668-D699 PolarHBondContact NH1-OD1 3.38Å | ||
| 669 | K | 32.8 | Very low | 31 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 85% | 0.852 | 69% | 0.693 | S | S | * | * | trans | -123.4 | 132 | 156.8 | -87.6 | -173.3 | 174.3 | -178.4 | 0 | 108.4 | ||||
| 670 | P | 28.5 | Very low | 31.7 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -84 | -178.7 | 176.9 | 37.1 | -36.2 | 0 | 0 | 0 | 111.7 | ||||
| 671 | I | 31.4 | Very low | 32.5 | Very low | 122 Ų | 122 | 128 Ų | 128 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | 111.5 | 124.9 | -173.7 | -68.8 | 162.3 | 0 | 0 | 0 | 109.6 | ||||
| 672 | N | 34.8 | Very low | 33.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | cis | -142.7 | 143.4 | 3.2 | -101.4 | -13.7 | 0 | 0 | 0 | 109.8 | ||||
| 673 | A | 30.2 | Very low | 34.2 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | trans | -103 | 151.7 | 159 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 674 | G | 31.7 | Very low | 35.2 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -74.2 | 165 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 675 | D | 33.4 | Very low | 36.3 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 64% | 0.641 | S | S | * | * | trans | 53.8 | 77.8 | 164.8 | -49.4 | -25.1 | 0 | 0 | 0 | 114.6 | ||||
| 676 | L | 36.2 | Very low | 37.9 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | trans | -108.3 | 128.5 | 162.6 | -74.1 | 166.1 | 0 | 0 | 0 | 108.1 | E680 | L676-E680 HydrophobicContact CB-CB 4.12Å; L676-E680 HydrophobicContact CD2-CB 3.96Å; L676-E680 HydrophobicContact CD2-CG 4.33Å | ||
| 677 | T | 39.8 | Very low | 39 | Very low | 42 Ų | 42 | 116.5 Ų | 116.5 | 26% | 0.258 | 60% | 0.602 | S | S | . | * | trans | -61.1 | 161.3 | 179.4 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | E485 V679 E680 W681 | E485-T677 WeakPolarHBondContact OE2-CG2 3.49Å; T677-V679 PolarHBondContact O-N 3.33Å; T677-V679 VanDerWaalsContact O-N 3.13Å; T677-E680 WeakPolarHBondContact CB-OE2 3.25Å; T677-E680 PolarHBondContact N-OE2 3.46Å; T677-E680 PolarHBondContact O-N 3.36Å; T677-E680 WeakPolarHBondContact OG1-CG 3.3Å; T677-E680 PolarHBondContact OG1-N 3.26Å; T677-E680 PolarHBondContact OG1-OE2 2.72Å; T677-W681 PolarHBondContact O-N 3.48Å | ||
| 678 | M | 34.9 | Very low | 40.2 | Very low | 164 Ų | 164 | 113.7 Ų | 113.7 | 81% | 0.808 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.8 | -26.1 | 179.3 | -167.2 | 172.5 | 63.3 | 0 | 0 | 112.9 | W681 E682 | M678-W681 WeakPolarHBondContact O-CB 3.34Å; M678-E682 PolarHBondContact O-N 2.87Å |
| 679 | V | 43.5 | Very low | 42.1 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.7 | -37.6 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | T677 W681 E682 H683 | T677-V679 PolarHBondContact O-N 3.33Å; T677-V679 VanDerWaalsContact O-N 3.13Å; V679-W681 VanDerWaalsContact C-N 3.31Å; V679-E682 PolarHBondContact O-N 2.87Å; V679-H683 PolarHBondContact O-N 2.88Å |
| 680 | E | 43.5 | Very low | 43.4 | Very low | 36 Ų | 36 | 107.3 Ų | 107.3 | 17% | 0.168 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -72.4 | -26.2 | 175.3 | -68.3 | 166.1 | 119.2 | 0 | 0 | 112.2 | L676 T677 H683 K684 F687 | L676-E680 HydrophobicContact CB-CB 4.12Å; L676-E680 HydrophobicContact CD2-CB 3.96Å; L676-E680 HydrophobicContact CD2-CG 4.33Å; T677-E680 WeakPolarHBondContact CB-OE2 3.25Å; T677-E680 PolarHBondContact N-OE2 3.46Å; T677-E680 PolarHBondContact O-N 3.36Å; T677-E680 WeakPolarHBondContact OG1-CG 3.3Å; T677-E680 PolarHBondContact OG1-N 3.26Å; T677-E680 PolarHBondContact OG1-OE2 2.72Å; E680-H683 CarbonylContact O-C 3.51Å; E680-H683 PolarHBondContact O-N 3.27Å; E680-K684 PolarHBondContact O-N 2.83Å; E680-K684 VanDerWaalsContact O-N 3.08Å; E680-F687 HydrophobicContact CB-CE2 4.43Å; E680-F687 HydrophobicContact CG-CE2 4Å; E680-F687 HydrophobicContact CG-CZ 4.4Å |
| 681 | W | 40.9 | Very low | 44.9 | Very low | 182 Ų | 182 | 107.5 Ų | 107.5 | 69% | 0.689 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.4 | -41.6 | 169.4 | -96.8 | 83.1 | 0 | 0 | 0 | 113 | T677 M678 V679 H683 | T677-W681 PolarHBondContact O-N 3.48Å; M678-W681 WeakPolarHBondContact O-CB 3.34Å; V679-W681 VanDerWaalsContact C-N 3.31Å; W681-H683 VanDerWaalsContact C-N 3.35Å |
| 682 | E | 45.9 | Very low | 46.5 | Very low | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.6 | -29.5 | 177.3 | -67.5 | -165.2 | 141.1 | 0 | 0 | 112.6 | M678 V679 | M678-E682 PolarHBondContact O-N 2.87Å; V679-E682 PolarHBondContact O-N 2.87Å |
| 683 | H | 43.3 | Very low | 48.1 | Very low | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 16 | 179.2 | -65.8 | 146 | 0 | 0 | 0 | 115 | V679 E680 W681 D685 I686 F687 | V679-H683 PolarHBondContact O-N 2.88Å; E680-H683 CarbonylContact O-C 3.51Å; E680-H683 PolarHBondContact O-N 3.27Å; W681-H683 VanDerWaalsContact C-N 3.35Å; H683-D685 VanDerWaalsContact C-N 3.28Å; H683-D685 PolarHBondContact O-N 2.97Å; H683-D685 VanDerWaalsContact O-N 3.16Å; H683-I686 HydrophobicContact CB-CB 4.49Å; H683-I686 HydrophobicContact CB-CD1 4.3Å; H683-I686 WeakPolarHBondContact O-CA 3.46Å; H683-I686 WeakPolarHBondContact O-CB 3.48Å; H683-I686 PolarHBondContact O-N 3.14Å; H683-F687 HydrophobicContact CB-CD2 4.18Å; H683-F687 HydrophobicContact CB-CE2 4.19Å; H683-F687 PolarHBondContact O-N 3Å; H683-F687 VanDerWaalsContact O-N 3.09Å |
| 684 | K | 47.1 | Very low | 49.5 | Very low | 98 Ų | 98 | 102.6 Ų | 102.6 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -50.4 | -41.8 | -179.4 | -178.1 | 172.5 | -179.1 | 169.3 | 0 | 114.3 | E680 I686 F687 E688 | E680-K684 PolarHBondContact O-N 2.83Å; E680-K684 VanDerWaalsContact O-N 3.08Å; K684-I686 PolarHBondContact O-N 2.89Å; K684-F687 PolarHBondContact O-N 2.91Å; K684-E688 PolarHBondContact O-N 3.14Å |
| 685 | D | 51 | Low | 51 | Low | 128 Ų | 128 | 101.8 Ų | 101.8 | 68% | 0.684 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -26.4 | 178 | -81.8 | 7.4 | 0 | 0 | 0 | 112.8 | H683 R689 | H683-D685 VanDerWaalsContact C-N 3.28Å; H683-D685 PolarHBondContact O-N 2.97Å; H683-D685 VanDerWaalsContact O-N 3.16Å; D685-R689 WeakPolarHBondContact O-CB 3.48Å; D685-R689 WeakPolarHBondContact O-CD 3.44Å; D685-R689 VanDerWaalsContact O-CG 3.24Å; D685-R689 WeakPolarHBondContact O-CG 3.43Å; D685-R689 PolarHBondContact O-N 2.89Å |
| 686 | I | 59.3 | Low | 52.7 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -78.8 | -47.3 | 175.9 | -58.6 | 176.1 | 0 | 0 | 0 | 109.5 | H683 K684 R689 L690 | H683-I686 HydrophobicContact CB-CB 4.49Å; H683-I686 HydrophobicContact CB-CD1 4.3Å; H683-I686 WeakPolarHBondContact O-CA 3.46Å; H683-I686 WeakPolarHBondContact O-CB 3.48Å; H683-I686 PolarHBondContact O-N 3.14Å; K684-I686 PolarHBondContact O-N 2.89Å; I686-R689 WeakPolarHBondContact O-CB 3.27Å; I686-R689 PolarHBondContact O-N 3.43Å; I686-L690 WeakPolarHBondContact O-CB 3.16Å; I686-L690 PolarHBondContact O-N 3.4Å |
| 687 | F | 49.8 | Very low | 53.9 | Low | 79 Ų | 79 | 103.9 Ų | 103.9 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 177.9 | -77.5 | -73.3 | 0 | 0 | 0 | 113.1 | E680 H683 K684 R689 L690 L691 | E680-F687 HydrophobicContact CB-CE2 4.43Å; E680-F687 HydrophobicContact CG-CE2 4Å; E680-F687 HydrophobicContact CG-CZ 4.4Å; H683-F687 HydrophobicContact CB-CD2 4.18Å; H683-F687 HydrophobicContact CB-CE2 4.19Å; H683-F687 PolarHBondContact O-N 3Å; H683-F687 VanDerWaalsContact O-N 3.09Å; K684-F687 PolarHBondContact O-N 2.91Å; F687-R689 PolarHBondContact O-N 3.47Å; F687-L690 PolarHBondContact O-N 3.05Å; F687-L691 VanDerWaalsContact O-CB 3.3Å; F687-L691 WeakPolarHBondContact O-CB 3.41Å; F687-L691 PolarHBondContact O-N 3.18Å |
| 688 | E | 57.9 | Low | 55.3 | Low | 88 Ų | 88 | 109.1 Ų | 109.1 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 170.7 | -83.5 | -164.4 | -166.5 | 0 | 0 | 111.8 | K684 L691 I692 | K684-E688 PolarHBondContact O-N 3.14Å; E688-L691 PolarHBondContact O-N 3.31Å; E688-I692 WeakPolarHBondContact O-CB 3.49Å; E688-I692 WeakPolarHBondContact O-CD1 3.36Å; E688-I692 VanDerWaalsContact O-CG1 3.24Å; E688-I692 WeakPolarHBondContact O-CG1 3.28Å; E688-I692 PolarHBondContact O-N 3.48Å |
| 689 | R | 68 | Low | 56.8 | Low | 198 Ų | 198 | 104.8 Ų | 104.8 | 75% | 0.747 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 175.3 | -79.2 | 175.2 | 171.3 | -162.4 | -0.8 | 112.2 | D685 I686 F687 I692 A693 | D685-R689 WeakPolarHBondContact O-CB 3.48Å; D685-R689 WeakPolarHBondContact O-CD 3.44Å; D685-R689 VanDerWaalsContact O-CG 3.24Å; D685-R689 WeakPolarHBondContact O-CG 3.43Å; D685-R689 PolarHBondContact O-N 2.89Å; I686-R689 WeakPolarHBondContact O-CB 3.27Å; I686-R689 PolarHBondContact O-N 3.43Å; F687-R689 PolarHBondContact O-N 3.47Å; R689-I692 PolarHBondContact O-N 2.81Å; R689-A693 WeakPolarHBondContact O-CB 3.44Å; R689-A693 PolarHBondContact O-N 3.02Å |
| 690 | L | 59.8 | Low | 57.9 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 177.4 | -160.4 | 75.8 | 0 | 0 | 0 | 111.1 | I686 F687 I692 A693 M694 | I686-L690 WeakPolarHBondContact O-CB 3.16Å; I686-L690 PolarHBondContact O-N 3.4Å; F687-L690 PolarHBondContact O-N 3.05Å; L690-I692 PolarHBondContact O-N 3.49Å; L690-A693 PolarHBondContact O-N 3.04Å; L690-M694 WeakPolarHBondContact O-CB 3.33Å; L690-M694 WeakPolarHBondContact O-CG 3.21Å; L690-M694 PolarHBondContact O-N 3.36Å |
| 691 | L | 59.6 | Low | 58.8 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.1 | -168 | 75.9 | 0 | 0 | 0 | 112 | F687 E688 S695 | F687-L691 VanDerWaalsContact O-CB 3.3Å; F687-L691 WeakPolarHBondContact O-CB 3.41Å; F687-L691 PolarHBondContact O-N 3.18Å; E688-L691 PolarHBondContact O-N 3.31Å; L691-S695 WeakPolarHBondContact O-CB 3.46Å; L691-S695 PolarHBondContact O-N 3.44Å; L691-S695 PolarHBondContact O-OG 2.86Å |
| 692 | I | 66.5 | Low | 60 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 46% | 0.456 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 174.2 | -68.9 | 164.8 | 0 | 0 | 0 | 110.9 | E688 R689 L690 S695 R696 | E688-I692 WeakPolarHBondContact O-CB 3.49Å; E688-I692 WeakPolarHBondContact O-CD1 3.36Å; E688-I692 VanDerWaalsContact O-CG1 3.24Å; E688-I692 WeakPolarHBondContact O-CG1 3.28Å; E688-I692 PolarHBondContact O-N 3.48Å; R689-I692 PolarHBondContact O-N 2.81Å; L690-I692 PolarHBondContact O-N 3.49Å; I692-S695 PolarHBondContact O-N 2.86Å; I692-R696 WeakPolarHBondContact O-CG 3.31Å; I692-R696 PolarHBondContact O-N 2.84Å |
| 693 | A | 68.2 | Low | 60.9 | Low | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | R689 L690 S695 R696 L697 | R689-A693 WeakPolarHBondContact O-CB 3.44Å; R689-A693 PolarHBondContact O-N 3.02Å; L690-A693 PolarHBondContact O-N 3.04Å; A693-S695 VanDerWaalsContact C-N 3.32Å; A693-S695 PolarHBondContact O-N 3.16Å; A693-R696 PolarHBondContact O-N 3.19Å; A693-L697 WeakPolarHBondContact O-CB 3.26Å; A693-L697 PolarHBondContact O-N 2.87Å |
| 694 | M | 59.8 | Low | 61.2 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 40% | 0.404 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -36 | 174.1 | -77.2 | -171 | 71 | 0 | 0 | 112.8 | L690 L697 R698 | L690-M694 WeakPolarHBondContact O-CB 3.33Å; L690-M694 WeakPolarHBondContact O-CG 3.21Å; L690-M694 PolarHBondContact O-N 3.36Å; M694-L697 PolarHBondContact O-N 3.25Å; M694-R698 WeakPolarHBondContact O-CB 3.07Å; M694-R698 PolarHBondContact O-N 3.24Å |
| 695 | S | 62.7 | Low | 61.3 | Low | 45 Ų | 45 | 99.3 Ų | 99.3 | 32% | 0.315 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -49 | 174.9 | -59 | 0 | 0 | 0 | 0 | 110.4 | L691 I692 A693 L697 R698 D699 | L691-S695 WeakPolarHBondContact O-CB 3.46Å; L691-S695 PolarHBondContact O-N 3.44Å; L691-S695 PolarHBondContact O-OG 2.86Å; I692-S695 PolarHBondContact O-N 2.86Å; A693-S695 VanDerWaalsContact C-N 3.32Å; A693-S695 PolarHBondContact O-N 3.16Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 2.96Å; S695-R698 PolarHBondContact O-N 3.33Å; S695-D699 WeakPolarHBondContact O-CB 3.15Å; S695-D699 PolarHBondContact O-N 3.38Å |
| 696 | R | 68.3 | Low | 61.2 | Low | 183 Ų | 183 | 98 Ų | 98 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -37.3 | 175.3 | -72.6 | 175.1 | 174.8 | 178.5 | -1.6 | 113.1 | I692 A693 A700 | I692-R696 WeakPolarHBondContact O-CG 3.31Å; I692-R696 PolarHBondContact O-N 2.84Å; A693-R696 PolarHBondContact O-N 3.19Å; R696-A700 WeakPolarHBondContact O-CB 3.14Å; R696-A700 PolarHBondContact O-N 3.41Å |
| 697 | L | 62.2 | Low | 60.7 | Low | 112 Ų | 112 | 98 Ų | 98 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 175.6 | -172.4 | 71.2 | 0 | 0 | 0 | 111 | A693 M694 S695 A700 I701 | A693-L697 WeakPolarHBondContact O-CB 3.26Å; A693-L697 PolarHBondContact O-N 2.87Å; M694-L697 PolarHBondContact O-N 3.25Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 2.96Å; L697-A700 PolarHBondContact O-N 3.41Å; L697-I701 HydrophobicContact CG-CD1 3.98Å; L697-I701 WeakPolarHBondContact O-CB 3.35Å; L697-I701 WeakPolarHBondContact O-CD1 3.43Å; L697-I701 WeakPolarHBondContact O-CG1 3.04Å; L697-I701 PolarHBondContact O-N 3.43Å |
| 698 | R | 68.2 | Low | 60.3 | Low | 152 Ų | 152 | 95.2 Ų | 95.2 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -49.2 | 175.7 | -173.2 | -178.1 | -64.3 | -123.7 | -2.6 | 111.3 | M694 S695 A700 I701 E702 | M694-R698 WeakPolarHBondContact O-CB 3.07Å; M694-R698 PolarHBondContact O-N 3.24Å; S695-R698 PolarHBondContact O-N 3.33Å; R698-A700 PolarHBondContact O-N 3.03Å; R698-I701 PolarHBondContact O-N 3.13Å; R698-I701 VanDerWaalsContact O-N 3.1Å; R698-E702 WeakPolarHBondContact O-CB 3.29Å; R698-E702 PolarHBondContact O-N 3.26Å |
| 699 | D | 67.6 | Low | 59.7 | Low | 72 Ų | 72 | 93.7 Ų | 93.7 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 177.8 | -59.9 | -21.1 | 0 | 0 | 0 | 110.3 | R668 S695 E702 E703 | R668-D699 IonicContact NH1-OD1 3.09Å; R668-D699 PolarHBondContact NH1-OD1 3.38Å; S695-D699 WeakPolarHBondContact O-CB 3.15Å; S695-D699 PolarHBondContact O-N 3.38Å; D699-E702 PolarHBondContact O-N 3.23Å; D699-E703 WeakPolarHBondContact O-CB 3.27Å; D699-E703 PolarHBondContact O-N 3.26Å |
| 700 | A | 67.1 | Low | 58.8 | Low | 42 Ų | 42 | 91.9 Ų | 91.9 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.8 | -32.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R696 L697 R698 C704 | R696-A700 WeakPolarHBondContact O-CB 3.14Å; R696-A700 PolarHBondContact O-N 3.41Å; L697-A700 PolarHBondContact O-N 3.41Å; R698-A700 PolarHBondContact O-N 3.03Å; A700-C704 WeakPolarHBondContact O-CB 3.4Å; A700-C704 PolarHBondContact O-N 2.99Å; A700-C704 PolarHBondContact O-SG 3.12Å |
| 701 | I | 62.5 | Low | 58 | Low | 106 Ų | 106 | 95.5 Ų | 95.5 | 54% | 0.544 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -34.8 | 171.7 | -73.4 | 165.7 | 0 | 0 | 0 | 110.5 | L697 R698 C704 S705 | L697-I701 HydrophobicContact CG-CD1 3.98Å; L697-I701 WeakPolarHBondContact O-CB 3.35Å; L697-I701 WeakPolarHBondContact O-CD1 3.43Å; L697-I701 WeakPolarHBondContact O-CG1 3.04Å; L697-I701 PolarHBondContact O-N 3.43Å; R698-I701 PolarHBondContact O-N 3.13Å; R698-I701 VanDerWaalsContact O-N 3.1Å; I701-C704 CarbonylContact O-C 3.59Å; I701-C704 PolarHBondContact O-N 2.94Å; I701-S705 WeakPolarHBondContact O-CB 3.45Å; I701-S705 PolarHBondContact O-N 3.04Å |
| 702 | E | 66.2 | Low | 57.2 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 175.3 | -156.4 | 163.9 | 174.7 | 0 | 0 | 110.2 | R698 D699 C704 S705 D706 | R698-E702 WeakPolarHBondContact O-CB 3.29Å; R698-E702 PolarHBondContact O-N 3.26Å; D699-E702 PolarHBondContact O-N 3.23Å; E702-C704 VanDerWaalsContact C-N 3.35Å; E702-C704 PolarHBondContact O-N 2.94Å; E702-S705 WeakPolarHBondContact O-CA 3.46Å; E702-S705 VanDerWaalsContact O-CB 3.31Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 2.87Å; E702-D706 PolarHBondContact O-N 3.26Å |
| 703 | E | 63 | Low | 56.6 | Low | 135 Ų | 135 | 101.4 Ų | 101.4 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 170.7 | -167.6 | 172.3 | -153.4 | 0 | 0 | 112.2 | D699 S705 I707 | D699-E703 WeakPolarHBondContact O-CB 3.27Å; D699-E703 PolarHBondContact O-N 3.26Å; E703-S705 VanDerWaalsContact C-N 3.34Å; E703-I707 WeakPolarHBondContact O-CD1 3.4Å; E703-I707 VanDerWaalsContact O-CG1 3.25Å; E703-I707 WeakPolarHBondContact O-CG1 3.13Å; E703-I707 PolarHBondContact O-N 2.82Å; E703-I707 VanDerWaalsContact O-N 3.12Å |
| 704 | C | 50 | Low | 55.6 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 57% | 0.568 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.3 | -23.9 | 171.9 | -68 | 0 | 0 | 0 | 0 | 113.7 | A700 I701 E702 G708 | A700-C704 WeakPolarHBondContact O-CB 3.4Å; A700-C704 PolarHBondContact O-N 2.99Å; A700-C704 PolarHBondContact O-SG 3.12Å; I701-C704 CarbonylContact O-C 3.59Å; I701-C704 PolarHBondContact O-N 2.94Å; E702-C704 VanDerWaalsContact C-N 3.35Å; E702-C704 PolarHBondContact O-N 2.94Å; C704-G708 WeakPolarHBondContact O-CA 3.4Å; C704-G708 PolarHBondContact O-N 3.32Å |
| 705 | S | 49.6 | Very low | 55.5 | Low | 69 Ų | 69 | 106.3 Ų | 106.3 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.6 | -41.2 | 176 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | I701 E702 E703 G708 S709 | I701-S705 WeakPolarHBondContact O-CB 3.45Å; I701-S705 PolarHBondContact O-N 3.04Å; E702-S705 WeakPolarHBondContact O-CA 3.46Å; E702-S705 VanDerWaalsContact O-CB 3.31Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 2.87Å; E703-S705 VanDerWaalsContact C-N 3.34Å; S705-G708 CarbonylContact O-C 3.55Å; S705-G708 PolarHBondContact O-N 2.76Å; S705-S709 PolarHBondContact O-N 3.48Å |
| 706 | D | 48.5 | Very low | 54.9 | Low | 102 Ų | 102 | 105.8 Ų | 105.8 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 174.1 | -72.6 | -11.1 | 0 | 0 | 0 | 110.3 | E702 G708 S709 E710 | E702-D706 PolarHBondContact O-N 3.26Å; D706-G708 VanDerWaalsContact C-N 3.27Å; D706-G708 PolarHBondContact O-N 3.24Å; D706-S709 PolarHBondContact O-N 3.28Å; D706-S709 VanDerWaalsContact O-N 3.16Å; D706-S709 PolarHBondContact O-OG 3.3Å; D706-E710 PolarHBondContact O-N 2.87Å |
| 707 | I | 48.5 | Very low | 54.2 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 171.3 | -66.4 | 165.3 | 0 | 0 | 0 | 110.9 | E703 F711 | E703-I707 WeakPolarHBondContact O-CD1 3.4Å; E703-I707 VanDerWaalsContact O-CG1 3.25Å; E703-I707 WeakPolarHBondContact O-CG1 3.13Å; E703-I707 PolarHBondContact O-N 2.82Å; E703-I707 VanDerWaalsContact O-N 3.12Å; I707-F711 VanDerWaalsContact O-CB 3.29Å; I707-F711 WeakPolarHBondContact O-CB 3.28Å; I707-F711 PolarHBondContact O-N 3.09Å |
| 708 | G | 43.1 | Very low | 54.1 | Low | 20 Ų | 20 | 106 Ų | 106 | 21% | 0.206 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C704 S705 D706 F711 W712 | C704-G708 WeakPolarHBondContact O-CA 3.4Å; C704-G708 PolarHBondContact O-N 3.32Å; S705-G708 CarbonylContact O-C 3.55Å; S705-G708 PolarHBondContact O-N 2.76Å; D706-G708 VanDerWaalsContact C-N 3.27Å; D706-G708 PolarHBondContact O-N 3.24Å; G708-F711 WeakPolarHBondContact O-CB 3.43Å; G708-F711 PolarHBondContact O-N 2.81Å; G708-F711 VanDerWaalsContact O-N 3.14Å; G708-W712 PolarHBondContact O-N 3.41Å |
| 709 | S | 45.3 | Very low | 53.5 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 178.6 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | S705 D706 F711 W712 D713 | S705-S709 PolarHBondContact O-N 3.48Å; D706-S709 PolarHBondContact O-N 3.28Å; D706-S709 VanDerWaalsContact O-N 3.16Å; D706-S709 PolarHBondContact O-OG 3.3Å; S709-F711 VanDerWaalsContact C-N 3.27Å; S709-F711 PolarHBondContact O-N 3.49Å; S709-W712 PolarHBondContact O-N 2.76Å; S709-D713 WeakPolarHBondContact O-CB 3.27Å; S709-D713 PolarHBondContact O-N 2.98Å |
| 710 | E | 48.7 | Very low | 52.7 | Low | 159 Ų | 159 | 105.8 Ų | 105.8 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -33.1 | 171 | -72.5 | -163.9 | 142.9 | 0 | 0 | 112.4 | D706 | D706-E710 PolarHBondContact O-N 2.87Å |
| 711 | F | 42.2 | Very low | 52.3 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 63% | 0.627 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.5 | -33.3 | 176.3 | -157.2 | -95.2 | 0 | 0 | 0 | 112.8 | I707 G708 S709 V716 | I707-F711 VanDerWaalsContact O-CB 3.29Å; I707-F711 WeakPolarHBondContact O-CB 3.28Å; I707-F711 PolarHBondContact O-N 3.09Å; G708-F711 WeakPolarHBondContact O-CB 3.43Å; G708-F711 PolarHBondContact O-N 2.81Å; G708-F711 VanDerWaalsContact O-N 3.14Å; S709-F711 VanDerWaalsContact C-N 3.27Å; S709-F711 PolarHBondContact O-N 3.49Å; F711-V716 HydrophobicContact CD1-CG2 4.48Å; F711-V716 WeakPolarHBondContact O-CG2 3.28Å |
| 712 | W | 43.2 | Very low | 52.3 | Low | 166 Ų | 166 | 105.8 Ų | 105.8 | 63% | 0.629 | 54% | 0.542 | S | S | * | . | I | π-helix | trans | -89.5 | -34.3 | -178.7 | -67.6 | 114.4 | 0 | 0 | 0 | 114.3 | G708 S709 V716 | G708-W712 PolarHBondContact O-N 3.41Å; S709-W712 PolarHBondContact O-N 2.76Å; W712-V716 HydrophobicContact CE3-CB 4.14Å; W712-V716 HydrophobicContact CE3-CG1 3.77Å; W712-V716 HydrophobicContact CE3-CG2 4.11Å; W712-V716 HydrophobicContact CZ3-CG1 3.85Å; W712-V716 HydrophobicContact CZ3-CG2 4.42Å |
| 713 | D | 53.2 | Low | 51.5 | Low | 135 Ų | 135 | 105 Ų | 105 | 72% | 0.722 | 54% | 0.541 | S | S | * | . | I | π-helix | trans | -83.9 | -16.7 | -164.8 | -101.6 | -16.2 | 0 | 0 | 0 | 116.8 | S709 | S709-D713 WeakPolarHBondContact O-CB 3.27Å; S709-D713 PolarHBondContact O-N 2.98Å |
| 714 | L | 48.7 | Very low | 50.6 | Low | 139 Ų | 139 | 103 Ų | 103 | 73% | 0.728 | 53% | 0.534 | S | S | * | . | I | π-helix | trans | -120.9 | -42.9 | -172.2 | -141.9 | 70 | 0 | 0 | 0 | 116.6 | ||
| 715 | D | 55.9 | Low | 50.9 | Low | 99 Ų | 99 | 103.1 Ų | 103.1 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | I | π-helix | trans | -105.6 | -31.8 | -178.6 | -83.2 | -34.1 | 0 | 0 | 0 | 114.3 | K717 K718 H719 | D715-K717 VanDerWaalsContact C-N 3.35Å; D715-K717 PolarHBondContact O-N 3.42Å; D715-K718 PolarHBondContact O-N 2.76Å; D715-H719 WeakPolarHBondContact O-CB 3.43Å; D715-H719 PolarHBondContact O-N 2.71Å |
| 716 | V | 51.2 | Low | 50.9 | Low | 34 Ų | 34 | 103.2 Ų | 103.2 | 21% | 0.206 | 53% | 0.533 | C | S | . | . | I | π-helix | trans | -64.6 | -37.8 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | F711 W712 K718 H719 L720 | F711-V716 HydrophobicContact CD1-CG2 4.48Å; F711-V716 WeakPolarHBondContact O-CG2 3.28Å; W712-V716 HydrophobicContact CE3-CB 4.14Å; W712-V716 HydrophobicContact CE3-CG1 3.77Å; W712-V716 HydrophobicContact CE3-CG2 4.11Å; W712-V716 HydrophobicContact CZ3-CG1 3.85Å; W712-V716 HydrophobicContact CZ3-CG2 4.42Å; V716-K718 VanDerWaalsContact C-N 3.34Å; V716-K718 PolarHBondContact O-N 3.29Å; V716-H719 PolarHBondContact O-N 2.84Å; V716-L720 HydrophobicContact CG1-CD1 3.93Å; V716-L720 WeakPolarHBondContact O-CB 3.49Å; V716-L720 PolarHBondContact O-N 3.21Å |
| 717 | K | 53.9 | Low | 50.7 | Low | 159 Ų | 159 | 102.8 Ų | 102.8 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.6 | -32.9 | 176.5 | -167.9 | 170.7 | -174.8 | 170.3 | 0 | 113 | D715 S721 | D715-K717 VanDerWaalsContact C-N 3.35Å; D715-K717 PolarHBondContact O-N 3.42Å; K717-S721 VanDerWaalsContact O-CB 3.25Å; K717-S721 WeakPolarHBondContact O-CB 3.46Å; K717-S721 PolarHBondContact O-N 2.82Å; K717-S721 PolarHBondContact O-OG 2.66Å |
| 718 | K | 59.5 | Low | 50.3 | Low | 141 Ų | 141 | 104 Ų | 104 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.2 | -45.6 | 171.4 | -89.5 | 179.7 | 176.6 | 172.4 | 0 | 111.3 | D715 V716 S721 V722 | D715-K718 PolarHBondContact O-N 2.76Å; V716-K718 VanDerWaalsContact C-N 3.34Å; V716-K718 PolarHBondContact O-N 3.29Å; K718-S721 PolarHBondContact O-N 3.47Å; K718-V722 WeakPolarHBondContact O-CB 3.25Å; K718-V722 VanDerWaalsContact O-CG2 3.28Å; K718-V722 WeakPolarHBondContact O-CG2 3.35Å; K718-V722 PolarHBondContact O-N 2.69Å |
| 719 | H | 56.1 | Low | 50.2 | Low | 121 Ų | 121 | 110 Ų | 110 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.1 | -34.7 | 178.1 | -77.1 | -32.9 | 0 | 0 | 0 | 113.1 | D715 V716 L723 | D715-H719 WeakPolarHBondContact O-CB 3.43Å; D715-H719 PolarHBondContact O-N 2.71Å; V716-H719 PolarHBondContact O-N 2.84Å; H719-L723 WeakPolarHBondContact O-CB 3.23Å; H719-L723 WeakPolarHBondContact O-CD1 3.37Å; H719-L723 PolarHBondContact O-N 3.35Å |
| 720 | L | 50 | Low | 49.9 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.1 | -42.2 | 169.4 | -112.2 | 80.5 | 0 | 0 | 0 | 111.7 | V716 V722 L723 L724 | V716-L720 HydrophobicContact CG1-CD1 3.93Å; V716-L720 WeakPolarHBondContact O-CB 3.49Å; V716-L720 PolarHBondContact O-N 3.21Å; L720-V722 VanDerWaalsContact C-N 3.3Å; L720-V722 PolarHBondContact O-N 2.9Å; L720-L723 PolarHBondContact O-N 3.09Å; L720-L724 HydrophobicContact CD2-CD1 4.42Å; L720-L724 VanDerWaalsContact O-CB 3.22Å; L720-L724 WeakPolarHBondContact O-CB 3.02Å; L720-L724 WeakPolarHBondContact O-CG 3.48Å; L720-L724 PolarHBondContact O-N 3.26Å |
| 721 | S | 58.8 | Low | 49.3 | Very low | 64 Ų | 64 | 110.1 Ų | 110.1 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.8 | -38.8 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | K717 K718 T725 | K717-S721 VanDerWaalsContact O-CB 3.25Å; K717-S721 WeakPolarHBondContact O-CB 3.46Å; K717-S721 PolarHBondContact O-N 2.82Å; K717-S721 PolarHBondContact O-OG 2.66Å; K718-S721 PolarHBondContact O-N 3.47Å; S721-T725 WeakPolarHBondContact O-CB 3.26Å; S721-T725 WeakPolarHBondContact O-CG2 3.37Å; S721-T725 PolarHBondContact O-N 2.78Å; S721-T725 PolarHBondContact O-OG1 3.3Å |
| 722 | V | 62.2 | Low | 49.2 | Very low | 85 Ų | 85 | 112 Ų | 112 | 52% | 0.515 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.6 | -42.4 | 174.5 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | K718 L720 T725 S726 | K718-V722 WeakPolarHBondContact O-CB 3.25Å; K718-V722 VanDerWaalsContact O-CG2 3.28Å; K718-V722 WeakPolarHBondContact O-CG2 3.35Å; K718-V722 PolarHBondContact O-N 2.69Å; L720-V722 VanDerWaalsContact C-N 3.3Å; L720-V722 PolarHBondContact O-N 2.9Å; V722-T725 PolarHBondContact O-OG1 2.83Å; V722-S726 VanDerWaalsContact O-CB 3.23Å; V722-S726 WeakPolarHBondContact O-CB 3.18Å; V722-S726 PolarHBondContact O-N 2.96Å; V722-S726 PolarHBondContact O-OG 3.2Å |
| 723 | L | 50 | Low | 49 | Very low | 95 Ų | 95 | 107.9 Ų | 107.9 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.2 | -46.9 | 173.8 | -110.4 | 84.8 | 0 | 0 | 0 | 111 | H719 L720 S726 Q727 | H719-L723 WeakPolarHBondContact O-CB 3.23Å; H719-L723 WeakPolarHBondContact O-CD1 3.37Å; H719-L723 PolarHBondContact O-N 3.35Å; L720-L723 PolarHBondContact O-N 3.09Å; L723-S726 PolarHBondContact O-OG 2.95Å; L723-Q727 WeakPolarHBondContact O-CB 3.23Å; L723-Q727 VanDerWaalsContact O-CG 3.28Å; L723-Q727 WeakPolarHBondContact O-CG 3.45Å; L723-Q727 PolarHBondContact O-N 3.49Å |
| 724 | L | 44 | Very low | 48.1 | Very low | 91 Ų | 91 | 109.1 Ų | 109.1 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.5 | -37.7 | -176.4 | -68.2 | 168.3 | 0 | 0 | 0 | 111.9 | L720 M728 | L720-L724 HydrophobicContact CD2-CD1 4.42Å; L720-L724 VanDerWaalsContact O-CB 3.22Å; L720-L724 WeakPolarHBondContact O-CB 3.02Å; L720-L724 WeakPolarHBondContact O-CG 3.48Å; L720-L724 PolarHBondContact O-N 3.26Å; L724-M728 WeakPolarHBondContact O-CB 3.42Å; L724-M728 WeakPolarHBondContact O-CG 3.14Å; L724-M728 PolarHBondContact O-N 3.45Å |
| 725 | T | 56.8 | Low | 47.4 | Very low | 88 Ų | 88 | 108.8 Ų | 108.8 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.6 | -38.4 | 173.3 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | S721 V722 D729 | S721-T725 WeakPolarHBondContact O-CB 3.26Å; S721-T725 WeakPolarHBondContact O-CG2 3.37Å; S721-T725 PolarHBondContact O-N 2.78Å; S721-T725 PolarHBondContact O-OG1 3.3Å; V722-T725 PolarHBondContact O-OG1 2.83Å; T725-D729 PolarHBondContact O-N 3.17Å |
| 726 | S | 49.7 | Very low | 46.5 | Very low | 71 Ų | 71 | 111.7 Ų | 111.7 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.1 | -22.4 | 175.1 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | V722 L723 | V722-S726 VanDerWaalsContact O-CB 3.23Å; V722-S726 WeakPolarHBondContact O-CB 3.18Å; V722-S726 PolarHBondContact O-N 2.96Å; V722-S726 PolarHBondContact O-OG 3.2Å; L723-S726 PolarHBondContact O-OG 2.95Å |
| 727 | Q | 42.8 | Very low | 45.6 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 43% | 0.43 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -87.3 | -35.9 | 171.2 | -72 | -172.3 | -56.8 | 0 | 0 | 112.9 | L723 D729 S730 F731 | L723-Q727 WeakPolarHBondContact O-CB 3.23Å; L723-Q727 VanDerWaalsContact O-CG 3.28Å; L723-Q727 WeakPolarHBondContact O-CG 3.45Å; L723-Q727 PolarHBondContact O-N 3.49Å; Q727-D729 VanDerWaalsContact C-N 3.33Å; Q727-D729 PolarHBondContact O-N 2.79Å; Q727-S730 CarbonylContact O-C 3.54Å; Q727-S730 WeakPolarHBondContact O-CA 3.17Å; Q727-S730 PolarHBondContact O-N 3.13Å; Q727-F731 HydrophobicContact CB-CD2 4.22Å; Q727-F731 WeakPolarHBondContact O-CD2 3.18Å; Q727-F731 PolarHBondContact O-N 2.79Å |
| 728 | M | 40.9 | Very low | 44.6 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.5 | -35.4 | -179.8 | -75.4 | 176.4 | 84.1 | 0 | 0 | 112.6 | L724 S730 F731 | L724-M728 WeakPolarHBondContact O-CB 3.42Å; L724-M728 WeakPolarHBondContact O-CG 3.14Å; L724-M728 PolarHBondContact O-N 3.45Å; M728-S730 PolarHBondContact O-N 3.42Å; M728-F731 PolarHBondContact O-N 3.17Å |
| 729 | D | 41.6 | Very low | 43.2 | Very low | 146 Ų | 146 | 121.1 Ų | 121.1 | 78% | 0.781 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.8 | -18.1 | 172.5 | -69.9 | -19.7 | 0 | 0 | 0 | 113 | T725 Q727 | T725-D729 PolarHBondContact O-N 3.17Å; Q727-D729 VanDerWaalsContact C-N 3.33Å; Q727-D729 PolarHBondContact O-N 2.79Å |
| 730 | S | 39.3 | Very low | 42.1 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -92.6 | -24 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 114 | Q727 M728 | Q727-S730 CarbonylContact O-C 3.54Å; Q727-S730 WeakPolarHBondContact O-CA 3.17Å; Q727-S730 PolarHBondContact O-N 3.13Å; M728-S730 PolarHBondContact O-N 3.42Å |
| 731 | F | 35.5 | Very low | 41.3 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.8 | -21.2 | -174.3 | -97.4 | -91.7 | 0 | 0 | 0 | 114 | Q727 M728 A733 | Q727-F731 HydrophobicContact CB-CD2 4.22Å; Q727-F731 WeakPolarHBondContact O-CD2 3.18Å; Q727-F731 PolarHBondContact O-N 2.79Å; M728-F731 PolarHBondContact O-N 3.17Å; F731-A733 VanDerWaalsContact C-N 3.3Å; F731-A733 PolarHBondContact O-N 3.05Å |
| 732 | H | 40.2 | Very low | 40.1 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 84% | 0.843 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -8.6 | 177 | -103 | -64.8 | 0 | 0 | 0 | 115 | ||
| 733 | A | 38.1 | Very low | 38.7 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 65% | 0.653 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -7.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F731 | F731-A733 VanDerWaalsContact C-N 3.3Å; F731-A733 PolarHBondContact O-N 3.05Å |
| 734 | H | 34.1 | Very low | 38 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -123.8 | 2.2 | -162.3 | -95.4 | -64.9 | 0 | 0 | 0 | 118.8 | ||
| 735 | V | 35.5 | Very low | 37.6 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -104.9 | 61 | 176.3 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 736 | N | 36.7 | Very low | 36.6 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -157.8 | 56.5 | 175.5 | -107.3 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 737 | R | 31.4 | Very low | 35.9 | Very low | 246 Ų | 246 | 130 Ų | 130 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | trans | -162.8 | 142.3 | 155.6 | -116.2 | 173.3 | -172.2 | -159.4 | 1.2 | 113.8 | ||||
| 738 | P | 33 | Very low | 35.6 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -90.1 | 155.1 | -179 | 35.3 | -33.3 | 0 | 0 | 0 | 113.4 | ||||
| 739 | N | 30.1 | Very low | 35.2 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | 12.5 | 107.5 | 158.3 | -62.5 | -15.1 | 0 | 0 | 0 | 118.2 | ||||
| 740 | G | 33.4 | Very low | 35 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -178.7 | 76.9 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 741 | S | 32.6 | Very low | 34.8 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 17.3 | 130.5 | 150.4 | 64.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 742 | I | 33.7 | Very low | 34.9 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | 85.4 | 110.6 | 137.4 | -64 | 162.5 | 0 | 0 | 0 | 119.7 | ||||
| 743 | A | 34 | Very low | 34.8 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | trans | 64.9 | 138.7 | 134.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 744 | D | 34.9 | Very low | 34.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | 54.9 | 126.4 | 144.7 | -52.1 | -16.2 | 0 | 0 | 0 | 121.3 | ||||
| 745 | G | 34.7 | Very low | 34.7 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 154.2 | 111.1 | 158 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 746 | D | 37 | Very low | 34.5 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -64.9 | 162.8 | 169.2 | -52.8 | -75.3 | 0 | 0 | 0 | 113.2 | ||||
| 747 | G | 34.5 | Very low | 34.1 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 149.2 | 94.9 | 152 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 748 | D | 37.3 | Very low | 34.2 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 55.8 | 102.2 | 133.1 | -60.2 | -8.5 | 0 | 0 | 0 | 123 | ||||
| 749 | S | 31.6 | Very low | 34.3 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | 30.7 | 135.8 | 120 | 65.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 750 | V | 38.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -136.3 | 125.8 | 143.9 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 751 | D | 35.1 | Very low | 34.4 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 165.6 | 175 | -86.5 | -55.9 | 0 | 0 | 0 | 114.2 | ||||
| 752 | L | 36.2 | Very low | 34.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | 180 | 121 | 113.4 | -91.4 | 161.9 | 0 | 0 | 0 | 115.1 | |||||
| 753 | D | 38.7 | Very low | 34.6 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 70.4 | 77.3 | 140.5 | -67.5 | -2.7 | 0 | 0 | 0 | 123.8 | ||||
| 754 | A | 33.1 | Very low | 34.5 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | 15.4 | 131.1 | 117.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 755 | K | 37.1 | Very low | 34.4 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | -168 | 165.2 | 118.7 | -105.9 | 161.3 | -169.7 | 169.2 | 0 | 113.8 | |||||
| 756 | E | 31.3 | Very low | 34.2 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | 78.1 | 47.9 | 171.1 | -126.5 | 76.1 | -143.1 | 0 | 0 | 118.4 | ||||
| 757 | A | 28.7 | Very low | 34 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -129 | 104 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 758 | D | 32.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -152.1 | 78.6 | -178.2 | -149.9 | 2.1 | 0 | 0 | 0 | 113.1 | ||||
| 759 | K | 35.8 | Very low | 33.2 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 173.5 | 61.6 | 152 | -99 | 168.1 | -177.6 | 175.1 | 0 | 114.8 | ||||
| 760 | I | 31.8 | Very low | 33.1 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -141 | 91.7 | 160.2 | -54 | 178.7 | 0 | 0 | 0 | 109.4 | ||||
| 761 | I | 33.2 | Very low | 32.6 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | trans | -147.1 | 148.2 | 165.5 | -45.5 | 178.5 | 0 | 0 | 0 | 111.1 | ||||
| 762 | L | 36 | Very low | 32.4 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | trans | 79 | 132.9 | -179.8 | -65 | 96.5 | 0 | 0 | 0 | 114.7 | ||||
| 763 | K | 35.6 | Very low | 32 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | cis | -154.2 | 141.6 | -13.2 | -94.5 | 175 | 177.7 | 165.4 | 0 | 105.2 | ||||
| 764 | S | 30.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | cis | 70.9 | 98.5 | 40.7 | 82.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 765 | A | 33.9 | Very low | 31.2 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | 175 | 118.6 | 133.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 766 | D | 30.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 78% | 0.781 | 83% | 0.83 | S | S | * | * | trans | -11.3 | 139.5 | 158.1 | -38.7 | -40.2 | 0 | 0 | 0 | 120.3 | ||||
| 767 | R | 32.6 | Very low | 31.4 | Very low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | 179.6 | 139 | 98.6 | -94.9 | 166.8 | -170.9 | -160.9 | -0.2 | 114.2 | |||||
| 768 | S | 26.1 | Very low | 31.6 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -76.3 | 145 | 170.5 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 769 | A | 28.6 | Very low | 31.4 | Very low | 79 Ų | 79 | 152.6 Ų | 152.6 | 65% | 0.653 | 82% | 0.823 | S | S | * | * | 153.2 | 127.3 | 123 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 770 | R | 28 | Very low | 31.1 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | 75.9 | 137.1 | 146.9 | -67.1 | 175.2 | 176.5 | -160.8 | -3.6 | 121.3 | ||||
| 771 | F | 29 | Very low | 31.2 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -68.4 | 135.4 | 158.8 | -75.7 | -105.8 | 0 | 0 | 0 | 111 | ||||
| 772 | D | 31.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | -178.8 | 139.5 | 128.4 | -110 | -26.6 | 0 | 0 | 0 | 113.8 | |||||
| 773 | G | 27.6 | Very low | 30.6 | Very low | 74 Ų | 74 | 144.3 Ų | 144.3 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 74 | 99.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 774 | G | 26.6 | Very low | 30.2 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 74.9 | 160.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 775 | Q | 28.6 | Very low | 30 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | cis | -141.9 | 146.9 | 0.3 | -69.8 | 174.2 | -44.3 | 0 | 0 | 109.8 | ||||
| 776 | L | 40.1 | Very low | 29.8 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -85.6 | 140.1 | 164.7 | -88.8 | 162.4 | 0 | 0 | 0 | 111 | ||||
| 777 | P | 32.4 | Very low | 29.7 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -150.8 | 173 | 130.5 | 39.7 | -24.5 | 0 | 0 | 0 | 114.1 | ||||
| 778 | P | 31.9 | Very low | 29.5 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | -131.5 | 169.3 | -51.1 | 38.1 | -22.5 | 0 | 0 | 0 | 113 | |||||
| 779 | F | 29.4 | Very low | 29.6 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 152.4 | 169.3 | -87.2 | -104.2 | 0 | 0 | 0 | 112.6 | ||||
| 780 | D | 29.9 | Very low | 29.5 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | -175.1 | 164.6 | 129.2 | -105.2 | -8.7 | 0 | 0 | 0 | 113.8 | |||||
| 781 | P | 32.5 | Very low | 29.5 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | -141.3 | -170.8 | -129.3 | 43.2 | -22.6 | 0 | 0 | 0 | 117.4 | |||||
| 782 | I | 27.4 | Very low | 29.5 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 73.7 | 125.4 | 161.5 | -56.8 | 161.3 | 0 | 0 | 0 | 117.9 | ||||
| 783 | G | 30.4 | Very low | 29.3 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -175.5 | 117.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 784 | F | 27.1 | Very low | 29.3 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -114.2 | 158 | -168.4 | -120.3 | -88.2 | 0 | 0 | 0 | 112.4 | ||||
| 785 | M | 26.6 | Very low | 29.5 | Very low | 160 Ų | 160 | 145 Ų | 145 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 148.5 | 167.4 | -45.5 | -108.5 | 79.6 | 0 | 0 | 115.6 | ||||
| 786 | S | 28.4 | Very low | 29.5 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | cis | 170.8 | 128 | -22.5 | 57.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 787 | Q | 30.1 | Very low | 29.2 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 168.3 | 127 | 141.8 | -96.1 | 166.7 | 19.5 | 0 | 0 | 112 | ||||
| 788 | N | 27.6 | Very low | 29 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 60.9 | 148.1 | 149.1 | -73.1 | 22 | 0 | 0 | 0 | 123.9 | ||||
| 789 | E | 29.1 | Very low | 28.8 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 76.7 | 84.3 | 149.4 | -73.8 | 152.3 | -127.4 | 0 | 0 | 119.8 | A791 | E789-A791 PolarHBondContact O-N 2.86Š| ||
| 790 | E | 25.8 | Very low | 28.6 | Very low | 203 Ų | 203 | 138.6 Ų | 138.6 | 95% | 0.949 | 79% | 0.786 | S | S | * | * | 23.8 | 77.1 | 121.3 | -60 | -174.8 | 153.1 | 0 | 0 | 119 | |||||
| 791 | A | 28.9 | Very low | 28.5 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 117.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110 | E789 L793 | E789-A791 PolarHBondContact O-N 2.86Å; A791-L793 PolarHBondContact O-N 3.33Å | ||
| 792 | S | 27 | Very low | 28.4 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -68.2 | 125.3 | -163.2 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | S794 | S792-S794 PolarHBondContact O-N 3.35Š| ||
| 793 | L | 27.2 | Very low | 28.4 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -65.5 | 98.8 | 168.1 | -77.4 | 163.6 | 0 | 0 | 0 | 110.2 | A791 | A791-L793 PolarHBondContact O-N 3.33Š| ||
| 794 | S | 28.3 | Very low | 28.6 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -149.2 | 58.2 | 180 | -65.8 | 0 | 0 | 0 | 0 | 112 | S792 | S792-S794 PolarHBondContact O-N 3.35Š| ||
| 795 | Q | 30 | Very low | 28.9 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | trans | -179.7 | 98.1 | 160.5 | -103.9 | 158.7 | 20.6 | 0 | 0 | 111.7 | H803 | Q795-H803 PolarHBondContact NE2-NE2 3.04Š| ||
| 796 | L | 29.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 176.6 | 125.7 | 141.1 | -118 | 70.8 | 0 | 0 | 0 | 106.7 | ||
| 797 | Y | 34.6 | Very low | 28.7 | Very low | 231 Ų | 231 | 150.1 Ų | 150.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 62.7 | 97 | -160.9 | -50.3 | -82.9 | 0 | 0 | 0 | 113.1 | ||
| 798 | G | 27.4 | Very low | 28.4 | Very low | 73 Ų | 73 | 145.8 Ų | 145.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | 92.2 | 116.2 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 799 | S | 26.9 | Very low | 28.3 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | cis | -164.7 | 110.7 | -0.5 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 800 | A | 25.2 | Very low | 28.3 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -156.7 | 137.5 | 152 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 801 | W | 27.7 | Very low | 28.3 | Very low | 252 Ų | 252 | 141.4 Ų | 141.4 | 96% | 0.955 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 64.8 | 49.1 | 168.2 | -51 | 104.9 | 0 | 0 | 0 | 120.4 | ||
| 802 | R | 31.5 | Very low | 28.1 | Very low | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -158.2 | 124.4 | 137.9 | -80.2 | -151.5 | -167.1 | -115.7 | 2.4 | 112.7 | ||||
| 803 | H | 27.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 140 Ų | 140 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | -167.2 | 157.3 | 144.2 | -105.1 | -61.4 | 0 | 0 | 0 | 109.6 | Q795 | Q795-H803 PolarHBondContact NE2-NE2 3.04Š| ||
| 804 | P | 34.4 | Very low | 28.1 | Very low | 95 Ų | 95 | 139 Ų | 139 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | -147.8 | -170.1 | -116.3 | 42.3 | -20 | 0 | 0 | 0 | 116.9 | |||||
| 805 | M | 32.4 | Very low | 28.1 | Very low | 186 Ų | 186 | 143 Ų | 143 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | 15.9 | 136.4 | 149.2 | -69.7 | -173.1 | -70.5 | 0 | 0 | 121.4 | ||||
| 806 | G | 25.6 | Very low | 28.1 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -171.2 | 103.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 807 | I | 26.2 | Very low | 28.1 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 86% | 0.862 | 74% | 0.744 | S | S | * | * | trans | 77.9 | 98.1 | 138.8 | -52.2 | 168.1 | 0 | 0 | 0 | 119.5 | ||||
| 808 | S | 24.7 | Very low | 27.7 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | 71.2 | 120 | 121.1 | -148.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 809 | T | 25.2 | Very low | 27.7 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | 50.9 | 108.9 | 136.2 | 59.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 810 | K | 27.5 | Very low | 28 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 68% | 0.683 | 74% | 0.744 | S | S | * | * | -174.6 | 152.7 | 106.2 | -106 | -175.4 | 176.8 | -167.8 | 0 | 114.3 | M5 A6 | M5-K810 PolarHBondContact O-NZ 2.84Å; A6-K810 HydrophobicContact CB-CD 4.31Å | |||
| 811 | L | 26.4 | Very low | 28.1 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 67% | 0.665 | 74% | 0.741 | S | S | * | * | trans | -63.8 | 160.3 | 165 | -120.4 | 70 | 0 | 0 | 0 | 112.1 | ||||
| 812 | H | 25.5 | Very low | 28 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 44% | 0.44 | 73% | 0.73 | S | S | . | * | trans | 82.7 | 129.7 | 152.9 | -95.1 | -63.5 | 0 | 0 | 0 | 121.8 | H4 | H4-H812 AromaticContact CE1-CE1 3.54Å; H4-H812 AromaticContact CE1-ND1 3.56Å; H4-H812 AromaticContact ND1-CD2 3.83Å; H4-H812 AromaticContact ND1-CE1 3.8Å; H4-H812 AromaticContact ND1-CG 3.58Å; H4-H812 AromaticContact ND1-ND1 3.55Å; H4-H812 AromaticContact ND1-NE2 3.98Å | ||
| 813 | D | 26.1 | Very low | 27.8 | Very low | 81 Ų | 81 | 137 Ų | 137 | 43% | 0.433 | 72% | 0.717 | S | S | . | * | trans | 90 | 89.1 | 145.3 | -54.7 | -29.8 | 0 | 0 | 0 | 120.4 | H4 | H4-D813 IonicContact CE1-OD1 2.69Å; H4-D813 IonicContact CE1-OD2 2.65Å; H4-D813 PolarHBondContact CE1-OD2 3.21Å; H4-D813 IonicContact ND1-OD1 3.7Å; H4-D813 IonicContact ND1-OD2 3.02Å; H4-D813 PolarHBondContact ND1-OD2 3.36Å | ||
| 814 | M | 28.5 | Very low | 27.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 80% | 0.798 | 72% | 0.72 | S | S | * | * | 38.2 | 139.1 | 121 | -71.1 | -168.5 | -72.3 | 0 | 0 | 121.4 | |||||
| 815 | K | 27.4 | Very low | 27.4 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | trans | 87 | 93.7 | 164.4 | -59.9 | 176.8 | -179.4 | -179.7 | 0 | 117 | ||||
| 816 | N | 29 | Very low | 27.1 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | -148.1 | 73.2 | 123.5 | -91.6 | -40.5 | 0 | 0 | 0 | 110.3 | N10 | N10-N816 WeakPolarHBondContact CB-ND2 3.33Š| |||
| 817 | L | 31.2 | Very low | 27.1 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | trans | -74 | 129.5 | 153.1 | -85.2 | 125.5 | 0 | 0 | 0 | 108.7 | ||||
| 818 | K | 25.3 | Very low | 27.1 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | trans | -171.7 | 152.9 | 139.4 | -113.1 | 177.5 | 178.1 | -175.2 | 0 | 111 | ||||
| 819 | I | 27.8 | Very low | 27.2 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 74.4 | 99.7 | -172 | -44 | 168.5 | 0 | 0 | 0 | 112.5 | ||
| 820 | L | 32.7 | Very low | 27.3 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | cis | -144.7 | 128.5 | -6.6 | -115.4 | 166.9 | 0 | 0 | 0 | 107.9 | ||||
| 821 | S | 26.9 | Very low | 27.3 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | trans | -100 | 133.6 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 822 | E | 26.7 | Very low | 27.4 | Very low | 158 Ų | 158 | 135 Ų | 135 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -106.5 | 45.4 | 170.4 | -97.1 | -175.1 | 176.8 | 0 | 0 | 112.1 | Y855 | E822-Y855 WeakPolarHBondContact CB-OH 3.49Å; E822-Y855 PolarHBondContact O-OH 2.76Å | ||
| 823 | Q | 26.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 62% | 0.617 | 72% | 0.716 | S | S | * | * | trans | -119.2 | 142.5 | 157.9 | -76.4 | -179.3 | -7.2 | 0 | 0 | 108.6 | D1776 | Q823-D1776 PolarHBondContact NE2-OD2 3.04Š| ||
| 824 | S | 26.1 | Very low | 27.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 71.8 | 92.7 | -173.1 | 72.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 825 | L | 28.5 | Very low | 27.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 63% | 0.628 | 73% | 0.729 | S | S | * | * | -163.9 | 93.8 | 102 | -130.5 | 85.5 | 0 | 0 | 0 | 112.1 | Q827 | L825-Q827 VanDerWaalsContact CD2-O 3.29Å; L825-Q827 WeakPolarHBondContact CD2-O 3.43Å; L825-Q827 WeakPolarHBondContact CG-O 3.19Å | |||
| 826 | N | 25.2 | Very low | 27.9 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 35% | 0.348 | 73% | 0.727 | S | S | . | * | trans | -80.7 | 143 | 141.1 | -108.1 | -38.7 | 0 | 0 | 0 | 107.8 | D851 L854 | N826-D851 PolarHBondContact ND2-OD1 3.05Å; N826-D851 PolarHBondContact ND2-OD2 3.16Å; N826-L854 VanDerWaalsContact OD1-CD1 3.32Å; N826-L854 WeakPolarHBondContact OD1-CD1 3.32Å | ||
| 827 | Q | 26.2 | Very low | 28.1 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 64 | 131.6 | 179.3 | -53.4 | 164.6 | 6.9 | 0 | 0 | 114.1 | L825 | L825-Q827 VanDerWaalsContact CD2-O 3.29Å; L825-Q827 WeakPolarHBondContact CD2-O 3.43Å; L825-Q827 WeakPolarHBondContact CG-O 3.19Å | ||
| 828 | S | 25.5 | Very low | 27.9 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | -167.8 | 132.7 | -2.7 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 829 | Y | 27.6 | Very low | 28.2 | Very low | 238 Ų | 238 | 131.7 Ų | 131.7 | 93% | 0.933 | 72% | 0.721 | S | S | * | * | trans | -148.6 | 85.8 | 158.2 | -99 | -72.6 | 0 | 0 | 0 | 110.9 | ||||
| 830 | T | 26.1 | Very low | 28.6 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -60.8 | 153 | 135.3 | 49.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 831 | D | 27.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | cis | -159.2 | 162.5 | 13.6 | -146 | -23.9 | 0 | 0 | 0 | 111.3 | ||||
| 832 | S | 29.2 | Very low | 28.7 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 54% | 0.538 | 72% | 0.72 | S | S | . | * | trans | 32.6 | 128.2 | 147.8 | 72.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 833 | N | 28.3 | Very low | 29 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | -179.9 | 137.4 | 70.5 | -85.7 | -70.6 | 0 | 0 | 0 | 112 | |||||
| 834 | G | 29.9 | Very low | 29.3 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | trans | 139 | 127.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 835 | P | 33.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | -137.9 | 167.8 | -120.1 | 40.6 | -23.6 | 0 | 0 | 0 | 118.1 | |||||
| 836 | L | 27.2 | Very low | 29.7 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | 74.6 | 103.5 | 152.8 | -69.7 | 154.3 | 0 | 0 | 0 | 119.7 | ||||
| 837 | K | 31.5 | Very low | 30 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | -176.1 | 120.6 | 91.4 | -94.6 | 177.2 | 176.8 | -177.6 | 0 | 113.3 | |||||
| 838 | E | 28.5 | Very low | 30.2 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 38.1 | 131.9 | 123 | -62.3 | 167.4 | 148.9 | 0 | 0 | 118.8 | |||||
| 839 | S | 31.2 | Very low | 30.6 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | cis | -178.7 | 141.2 | 8.2 | 45 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 840 | S | 35.2 | Very low | 31.1 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 168.2 | 122.5 | 133 | -77.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 841 | I | 33.4 | Very low | 32 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 50.7 | 103.5 | 136.9 | -48.8 | 166 | 0 | 0 | 0 | 118.2 | ||||
| 842 | Q | 29.3 | Very low | 32.8 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | 73 | 106 | 59.9 | -70.7 | -164.2 | 2.5 | 0 | 0 | 118.6 | |||||
| 843 | L | 32.3 | Very low | 33.8 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -174.7 | 94.4 | 145.5 | -99.4 | 162.6 | 0 | 0 | 0 | 106.5 | ||||
| 844 | I | 33 | Very low | 34.9 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 62% | 0.621 | 72% | 0.723 | S | S | * | * | 98.1 | 107.4 | 61.2 | -72.2 | 170.6 | 0 | 0 | 0 | 113.4 | |||||
| 845 | N | 32 | Very low | 36 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | 46 | 104.1 | 145.6 | -55.2 | -11.7 | 0 | 0 | 0 | 122.2 | ||||
| 846 | I | 31.6 | Very low | 37.1 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 87% | 0.872 | 70% | 0.7 | S | S | * | * | trans | -138.4 | 143.3 | 136.3 | -63.8 | -170.5 | 0 | 0 | 0 | 108.3 | ||||
| 847 | P | 31.5 | Very low | 38.8 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -108.6 | 147.6 | -163 | 37.8 | -29.6 | 0 | 0 | 0 | 116.5 | ||||
| 848 | N | 30.6 | Very low | 40.7 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 56.1 | 135 | 152.9 | -63.4 | -17.9 | 0 | 0 | 0 | 120.7 | ||
| 849 | N | 32.5 | Very low | 42.7 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | 73.2 | 77.7 | 176.4 | -62.7 | -6.6 | 0 | 0 | 0 | 116.4 | ||||
| 850 | D | 38 | Very low | 44.6 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | trans | -167.5 | 107.3 | 137.1 | -104.9 | -26.6 | 0 | 0 | 0 | 111.9 | K852 S853 | D850-K852 PolarHBondContact O-N 2.77Å; D850-K852 VanDerWaalsContact O-N 3.07Å; D850-S853 PolarHBondContact O-N 3.46Å; D850-S853 PolarHBondContact O-OG 2.89Å | ||
| 851 | D | 44.9 | Very low | 46.7 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.8 | -21 | -179 | -77 | 17.7 | 0 | 0 | 0 | 113.3 | N826 L854 | N826-D851 PolarHBondContact ND2-OD1 3.05Å; N826-D851 PolarHBondContact ND2-OD2 3.16Å; D851-L854 PolarHBondContact O-N 3.15Å |
| 852 | K | 45.5 | Very low | 48.8 | Very low | 154 Ų | 154 | 121 Ų | 121 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.9 | -40.5 | 178 | -145.1 | 170.5 | -175.3 | 179.1 | 0 | 112.3 | D850 L854 Y855 E856 | D850-K852 PolarHBondContact O-N 2.77Å; D850-K852 VanDerWaalsContact O-N 3.07Å; K852-L854 VanDerWaalsContact C-N 3.34Å; K852-L854 PolarHBondContact O-N 3.25Å; K852-Y855 PolarHBondContact O-N 3.43Å; K852-E856 PolarHBondContact O-N 3.03Å; K852-E856 VanDerWaalsContact O-N 3.08Å |
| 853 | S | 50.1 | Low | 51.1 | Low | 68 Ų | 68 | 118.4 Ų | 118.4 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -34.2 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | D850 A857 | D850-S853 PolarHBondContact O-N 3.46Å; D850-S853 PolarHBondContact O-OG 2.89Å; S853-A857 WeakPolarHBondContact O-CB 3.29Å; S853-A857 PolarHBondContact O-N 3.4Å |
| 854 | L | 50.7 | Low | 53.3 | Low | 96 Ų | 96 | 114 Ų | 114 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.5 | -29 | 177.3 | -91.6 | 167.1 | 0 | 0 | 0 | 113 | N826 D851 K852 R858 | N826-L854 VanDerWaalsContact OD1-CD1 3.32Å; N826-L854 WeakPolarHBondContact OD1-CD1 3.32Å; D851-L854 PolarHBondContact O-N 3.15Å; K852-L854 VanDerWaalsContact C-N 3.34Å; K852-L854 PolarHBondContact O-N 3.25Å; L854-R858 PolarHBondContact O-N 2.76Å; L854-R858 VanDerWaalsContact O-N 3.17Å |
| 855 | Y | 52.6 | Low | 55.5 | Low | 109 Ų | 109 | 112.4 Ų | 112.4 | 43% | 0.427 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.7 | -43.9 | 172.1 | -111.4 | -75.3 | 0 | 0 | 0 | 111.4 | E822 K852 A857 R858 D859 | E822-Y855 WeakPolarHBondContact CB-OH 3.49Å; E822-Y855 PolarHBondContact O-OH 2.76Å; K852-Y855 PolarHBondContact O-N 3.43Å; Y855-A857 PolarHBondContact O-N 3.48Å; Y855-R858 PolarHBondContact O-N 3.48Å; Y855-R858 VanDerWaalsContact O-N 3.16Å; Y855-D859 PolarHBondContact O-N 2.83Å |
| 856 | E | 56.7 | Low | 57.6 | Low | 126 Ų | 126 | 109.1 Ų | 109.1 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 174.7 | -73 | 174.5 | -175.1 | 0 | 0 | 111.6 | K852 R858 D859 L860 | K852-E856 PolarHBondContact O-N 3.03Å; K852-E856 VanDerWaalsContact O-N 3.08Å; E856-R858 VanDerWaalsContact C-N 3.31Å; E856-R858 PolarHBondContact O-N 2.79Å; E856-D859 PolarHBondContact O-N 3.04Å; E856-L860 VanDerWaalsContact O-CB 3.25Å; E856-L860 WeakPolarHBondContact O-CB 3.17Å; E856-L860 PolarHBondContact O-N 3.48Å |
| 857 | A | 64 | Low | 59.7 | Low | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S853 Y855 N861 | S853-A857 WeakPolarHBondContact O-CB 3.29Å; S853-A857 PolarHBondContact O-N 3.4Å; Y855-A857 PolarHBondContact O-N 3.48Å; A857-N861 VanDerWaalsContact O-CB 3.27Å; A857-N861 WeakPolarHBondContact O-CB 3.31Å; A857-N861 PolarHBondContact O-N 3.11Å |
| 858 | R | 71.4 | Confident | 62.1 | Low | 149 Ų | 149 | 106.6 Ų | 106.6 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.8 | -43.3 | 173.9 | -94.7 | -175.1 | 178.3 | 139.9 | 2.2 | 112.9 | L854 Y855 E856 L860 N861 N862 | L854-R858 PolarHBondContact O-N 2.76Å; L854-R858 VanDerWaalsContact O-N 3.17Å; Y855-R858 PolarHBondContact O-N 3.48Å; Y855-R858 VanDerWaalsContact O-N 3.16Å; E856-R858 VanDerWaalsContact C-N 3.31Å; E856-R858 PolarHBondContact O-N 2.79Å; R858-L860 VanDerWaalsContact C-N 3.34Å; R858-N861 PolarHBondContact O-N 2.87Å; R858-N862 VanDerWaalsContact O-CG 3.28Å; R858-N862 PolarHBondContact O-N 2.91Å |
| 859 | D | 70.4 | Confident | 64.4 | Low | 79 Ų | 79 | 101.9 Ų | 101.9 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 176.3 | -176.5 | 60.8 | 0 | 0 | 0 | 111.1 | Y855 E856 N862 K863 | Y855-D859 PolarHBondContact O-N 2.83Å; E856-D859 PolarHBondContact O-N 3.04Å; D859-N862 PolarHBondContact O-N 3.3Å; D859-K863 WeakPolarHBondContact O-CB 3.43Å; D859-K863 WeakPolarHBondContact O-CG 3.47Å; D859-K863 PolarHBondContact O-N 3.16Å; D859-K863 WeakPolarHBondContact OD2-CE 3.32Å; D859-K863 IonicContact OD2-NZ 2.64Å; D859-K863 PolarHBondContact OD2-NZ 3.08Å |
| 860 | L | 71.7 | Confident | 66.5 | Low | 105 Ų | 105 | 99.6 Ų | 99.6 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 172.5 | -163.6 | 75.1 | 0 | 0 | 0 | 111.5 | E856 R858 K863 I864 | E856-L860 VanDerWaalsContact O-CB 3.25Å; E856-L860 WeakPolarHBondContact O-CB 3.17Å; E856-L860 PolarHBondContact O-N 3.48Å; R858-L860 VanDerWaalsContact C-N 3.34Å; L860-K863 PolarHBondContact O-N 2.71Å; L860-I864 HydrophobicContact CG-CD1 4.23Å; L860-I864 VanDerWaalsContact O-CG1 3.27Å; L860-I864 WeakPolarHBondContact O-CG1 3.38Å; L860-I864 PolarHBondContact O-N 3.36Å |
| 861 | N | 78.5 | Confident | 68.4 | Low | 86 Ų | 86 | 98.1 Ų | 98.1 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.3 | -171.1 | 88.8 | 0 | 0 | 0 | 112.6 | A857 R858 I864 I865 | A857-N861 VanDerWaalsContact O-CB 3.27Å; A857-N861 WeakPolarHBondContact O-CB 3.31Å; A857-N861 PolarHBondContact O-N 3.11Å; R858-N861 PolarHBondContact O-N 2.87Å; N861-I864 PolarHBondContact O-N 3.09Å; N861-I865 WeakPolarHBondContact ND2-CD1 3.29Å; N861-I865 WeakPolarHBondContact O-CG1 3.28Å; N861-I865 PolarHBondContact O-N 3.42Å |
| 862 | N | 76.8 | Confident | 70.2 | Confident | 94 Ų | 94 | 96.8 Ų | 96.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 173.8 | -71.5 | -17.1 | 0 | 0 | 0 | 111.5 | R858 D859 I865 T866 | R858-N862 VanDerWaalsContact O-CG 3.28Å; R858-N862 PolarHBondContact O-N 2.91Å; D859-N862 PolarHBondContact O-N 3.3Å; N862-I865 PolarHBondContact O-N 2.91Å; N862-T866 WeakPolarHBondContact O-CB 3.49Å; N862-T866 PolarHBondContact O-N 2.83Å; N862-T866 PolarHBondContact O-OG1 3.22Å |
| 863 | K | 77.8 | Confident | 71.8 | Confident | 114 Ų | 114 | 93.5 Ų | 93.5 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 172 | -79 | 166.7 | 176.6 | 157.9 | 0 | 111.9 | D859 L860 T866 L867 | D859-K863 WeakPolarHBondContact O-CB 3.43Å; D859-K863 WeakPolarHBondContact O-CG 3.47Å; D859-K863 PolarHBondContact O-N 3.16Å; D859-K863 WeakPolarHBondContact OD2-CE 3.32Å; D859-K863 IonicContact OD2-NZ 2.64Å; D859-K863 PolarHBondContact OD2-NZ 3.08Å; L860-K863 PolarHBondContact O-N 2.71Å; K863-T866 PolarHBondContact O-N 2.71Å; K863-L867 WeakPolarHBondContact O-CB 3.39Å; K863-L867 VanDerWaalsContact O-CG 3.28Å; K863-L867 WeakPolarHBondContact O-CG 3.36Å; K863-L867 PolarHBondContact O-N 2.65Å |
| 864 | I | 78.2 | Confident | 73 | Confident | 74 Ų | 74 | 95 Ų | 95 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 175.4 | -71.1 | 162.9 | 0 | 0 | 0 | 110.7 | L860 N861 T866 L867 E868 | L860-I864 HydrophobicContact CG-CD1 4.23Å; L860-I864 VanDerWaalsContact O-CG1 3.27Å; L860-I864 WeakPolarHBondContact O-CG1 3.38Å; L860-I864 PolarHBondContact O-N 3.36Å; N861-I864 PolarHBondContact O-N 3.09Å; I864-T866 VanDerWaalsContact C-N 3.27Å; I864-T866 PolarHBondContact O-N 3.32Å; I864-L867 CarbonylContact O-C 3.58Å; I864-L867 PolarHBondContact O-N 2.92Å; I864-E868 HydrophobicContact CG2-CG 4.34Å; I864-E868 WeakPolarHBondContact O-CB 3.02Å; I864-E868 WeakPolarHBondContact O-CG 3.18Å; I864-E868 PolarHBondContact O-N 3.47Å |
| 865 | I | 79.7 | Confident | 74.3 | Confident | 89 Ų | 89 | 95.9 Ų | 95.9 | 46% | 0.456 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 177 | -68.5 | 167.6 | 0 | 0 | 0 | 111.5 | N861 N862 E868 A869 | N861-I865 WeakPolarHBondContact ND2-CD1 3.29Å; N861-I865 WeakPolarHBondContact O-CG1 3.28Å; N861-I865 PolarHBondContact O-N 3.42Å; N862-I865 PolarHBondContact O-N 2.91Å; I865-E868 PolarHBondContact O-N 2.97Å; I865-A869 PolarHBondContact O-N 3.3Å |
| 866 | T | 77.2 | Confident | 75.7 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 176.9 | -50.2 | 0 | 0 | 0 | 0 | 111 | N862 K863 I864 E868 A869 E870 | N862-T866 WeakPolarHBondContact O-CB 3.49Å; N862-T866 PolarHBondContact O-N 2.83Å; N862-T866 PolarHBondContact O-OG1 3.22Å; K863-T866 PolarHBondContact O-N 2.71Å; I864-T866 VanDerWaalsContact C-N 3.27Å; I864-T866 PolarHBondContact O-N 3.32Å; T866-E868 PolarHBondContact O-N 2.95Å; T866-A869 PolarHBondContact O-N 3Å; T866-E870 WeakPolarHBondContact O-CG 3.27Å; T866-E870 PolarHBondContact O-N 2.92Å |
| 867 | L | 75.2 | Confident | 76.7 | Confident | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 175.7 | -71.5 | 168 | 0 | 0 | 0 | 112.6 | K863 I864 N871 | K863-L867 WeakPolarHBondContact O-CB 3.39Å; K863-L867 VanDerWaalsContact O-CG 3.28Å; K863-L867 WeakPolarHBondContact O-CG 3.36Å; K863-L867 PolarHBondContact O-N 2.65Å; I864-L867 CarbonylContact O-C 3.58Å; I864-L867 PolarHBondContact O-N 2.92Å; L867-N871 WeakPolarHBondContact O-CB 3.41Å; L867-N871 PolarHBondContact O-N 2.92Å |
| 868 | E | 80.9 | Confident | 77.2 | Confident | 117 Ų | 117 | 97.1 Ų | 97.1 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -36.4 | 173.4 | -75.3 | 178.2 | 162.9 | 0 | 0 | 111.9 | I864 I865 T866 S872 | I864-E868 HydrophobicContact CG2-CG 4.34Å; I864-E868 WeakPolarHBondContact O-CB 3.02Å; I864-E868 WeakPolarHBondContact O-CG 3.18Å; I864-E868 PolarHBondContact O-N 3.47Å; I865-E868 PolarHBondContact O-N 2.97Å; T866-E868 PolarHBondContact O-N 2.95Å; E868-S872 VanDerWaalsContact O-CB 3.32Å; E868-S872 WeakPolarHBondContact O-CB 3.49Å; E868-S872 PolarHBondContact O-N 3.1Å; E868-S872 PolarHBondContact O-OG 3.16Å |
| 869 | A | 79.3 | Confident | 77.5 | Confident | 55 Ų | 55 | 93.3 Ų | 93.3 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.9 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I865 T866 S872 T873 | I865-A869 PolarHBondContact O-N 3.3Å; T866-A869 PolarHBondContact O-N 3Å; A869-S872 PolarHBondContact O-N 3.47Å; A869-T873 PolarHBondContact O-N 3.47Å; A869-T873 PolarHBondContact O-OG1 2.84Å |
| 870 | E | 77.2 | Confident | 77.8 | Confident | 104 Ų | 104 | 93.6 Ų | 93.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 172 | -74.3 | -178.6 | 176 | 0 | 0 | 111.6 | T866 S872 T873 L874 | T866-E870 WeakPolarHBondContact O-CG 3.27Å; T866-E870 PolarHBondContact O-N 2.92Å; E870-S872 PolarHBondContact O-N 2.82Å; E870-T873 WeakPolarHBondContact CA-OG1 3.37Å; E870-T873 PolarHBondContact O-N 3.1Å; E870-T873 PolarHBondContact O-OG1 2.88Å; E870-L874 WeakPolarHBondContact O-CB 3.43Å; E870-L874 WeakPolarHBondContact O-CG 3.45Å; E870-L874 PolarHBondContact O-N 3.13Å |
| 871 | N | 78.2 | Confident | 77.7 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 176.5 | -164 | 9.8 | 0 | 0 | 0 | 111.5 | L867 L874 Q875 | L867-N871 WeakPolarHBondContact O-CB 3.41Å; L867-N871 PolarHBondContact O-N 2.92Å; N871-L874 PolarHBondContact O-N 2.68Å; N871-Q875 WeakPolarHBondContact O-CB 3.48Å; N871-Q875 WeakPolarHBondContact O-CG 3.34Å; N871-Q875 PolarHBondContact O-N 2.9Å |
| 872 | S | 81.9 | Confident | 77.3 | Confident | 80 Ų | 80 | 93.4 Ų | 93.4 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 173.9 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | E868 A869 E870 K876 | E868-S872 VanDerWaalsContact O-CB 3.32Å; E868-S872 WeakPolarHBondContact O-CB 3.49Å; E868-S872 PolarHBondContact O-N 3.1Å; E868-S872 PolarHBondContact O-OG 3.16Å; A869-S872 PolarHBondContact O-N 3.47Å; E870-S872 PolarHBondContact O-N 2.82Å; S872-K876 PolarHBondContact O-N 3.5Å; S872-K876 VanDerWaalsContact O-N 3.11Å |
| 873 | T | 79.5 | Confident | 77.1 | Confident | 84 Ų | 84 | 92.5 Ų | 92.5 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.3 | -38.3 | 174.2 | 43.1 | 0 | 0 | 0 | 0 | 112.2 | A869 E870 K876 V877 | A869-T873 PolarHBondContact O-N 3.47Å; A869-T873 PolarHBondContact O-OG1 2.84Å; E870-T873 WeakPolarHBondContact CA-OG1 3.37Å; E870-T873 PolarHBondContact O-N 3.1Å; E870-T873 PolarHBondContact O-OG1 2.88Å; T873-K876 WeakPolarHBondContact O-CB 3.39Å; T873-K876 PolarHBondContact O-N 3.1Å; T873-V877 WeakPolarHBondContact O-CG2 3.45Å; T873-V877 PolarHBondContact O-N 3.44Å |
| 874 | L | 75.5 | Confident | 76.9 | Confident | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 170.5 | -77.7 | 167.1 | 0 | 0 | 0 | 112.1 | E870 N871 K876 V877 I878 | E870-L874 WeakPolarHBondContact O-CB 3.43Å; E870-L874 WeakPolarHBondContact O-CG 3.45Å; E870-L874 PolarHBondContact O-N 3.13Å; N871-L874 PolarHBondContact O-N 2.68Å; L874-K876 VanDerWaalsContact C-N 3.3Å; L874-K876 PolarHBondContact O-N 3.28Å; L874-V877 PolarHBondContact O-N 2.94Å; L874-I878 WeakPolarHBondContact O-CB 3.31Å; L874-I878 VanDerWaalsContact O-CG1 3.27Å; L874-I878 WeakPolarHBondContact O-CG1 3.19Å; L874-I878 PolarHBondContact O-N 3.05Å |
| 875 | Q | 77.8 | Confident | 75.8 | Confident | 113 Ų | 113 | 93.6 Ų | 93.6 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.9 | -43.4 | 172.9 | -78.8 | -82.3 | -13.8 | 0 | 0 | 111.8 | N871 I878 T879 | N871-Q875 WeakPolarHBondContact O-CB 3.48Å; N871-Q875 WeakPolarHBondContact O-CG 3.34Å; N871-Q875 PolarHBondContact O-N 2.9Å; Q875-I878 PolarHBondContact O-N 3.31Å; Q875-T879 WeakPolarHBondContact O-CB 3.32Å; Q875-T879 PolarHBondContact O-N 3.03Å; Q875-T879 PolarHBondContact O-OG1 3.13Å |
| 876 | K | 82.5 | Confident | 74.9 | Confident | 150 Ų | 150 | 96.7 Ų | 96.7 | 65% | 0.652 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 176 | -168.6 | 177.3 | -179.9 | -178.1 | 0 | 111.8 | S872 T873 L874 T879 D880 | S872-K876 PolarHBondContact O-N 3.5Å; S872-K876 VanDerWaalsContact O-N 3.11Å; T873-K876 WeakPolarHBondContact O-CB 3.39Å; T873-K876 PolarHBondContact O-N 3.1Å; L874-K876 VanDerWaalsContact C-N 3.3Å; L874-K876 PolarHBondContact O-N 3.28Å; K876-T879 PolarHBondContact O-N 2.77Å; K876-D880 WeakPolarHBondContact O-CB 3.5Å; K876-D880 PolarHBondContact O-N 3.06Å |
| 877 | V | 76.5 | Confident | 73.8 | Confident | 82 Ų | 82 | 98.9 Ų | 98.9 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 112 | T873 L874 T879 D880 L881 | T873-V877 WeakPolarHBondContact O-CG2 3.45Å; T873-V877 PolarHBondContact O-N 3.44Å; L874-V877 PolarHBondContact O-N 2.94Å; V877-T879 VanDerWaalsContact C-N 3.34Å; V877-D880 PolarHBondContact O-N 3.36Å; V877-L881 HydrophobicContact CG1-CD1 4.04Å; V877-L881 WeakPolarHBondContact O-CB 3.38Å; V877-L881 WeakPolarHBondContact O-CG 3.44Å; V877-L881 PolarHBondContact O-N 2.99Å |
| 878 | I | 75 | Confident | 72.2 | Confident | 86 Ų | 86 | 97.9 Ų | 97.9 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.3 | -70.7 | 165.1 | 0 | 0 | 0 | 110.4 | L874 Q875 L881 L882 | L874-I878 WeakPolarHBondContact O-CB 3.31Å; L874-I878 VanDerWaalsContact O-CG1 3.27Å; L874-I878 WeakPolarHBondContact O-CG1 3.19Å; L874-I878 PolarHBondContact O-N 3.05Å; Q875-I878 PolarHBondContact O-N 3.31Å; I878-L881 PolarHBondContact O-N 3.42Å; I878-L882 HydrophobicContact CG2-CD1 3.9Å; I878-L882 HydrophobicContact CG2-CG 4.41Å; I878-L882 WeakPolarHBondContact O-CB 3.43Å; I878-L882 VanDerWaalsContact O-CG 3.28Å; I878-L882 WeakPolarHBondContact O-CG 3.23Å; I878-L882 PolarHBondContact O-N 3.4Å |
| 879 | T | 78 | Confident | 70 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | Q875 K876 V877 L881 L882 D883 | Q875-T879 WeakPolarHBondContact O-CB 3.32Å; Q875-T879 PolarHBondContact O-N 3.03Å; Q875-T879 PolarHBondContact O-OG1 3.13Å; K876-T879 PolarHBondContact O-N 2.77Å; V877-T879 VanDerWaalsContact C-N 3.34Å; T879-L881 VanDerWaalsContact C-N 3.31Å; T879-L881 PolarHBondContact O-N 3.3Å; T879-L882 PolarHBondContact O-N 2.71Å; T879-D883 PolarHBondContact O-N 3.23Å |
| 880 | D | 76 | Confident | 68.1 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 175.1 | -114.9 | 50.4 | 0 | 0 | 0 | 112.4 | K876 V877 K884 | K876-D880 WeakPolarHBondContact O-CB 3.5Å; K876-D880 PolarHBondContact O-N 3.06Å; V877-D880 PolarHBondContact O-N 3.36Å; D880-K884 WeakPolarHBondContact O-CB 3.13Å; D880-K884 VanDerWaalsContact O-CG 3.25Å; D880-K884 WeakPolarHBondContact O-CG 3.46Å; D880-K884 PolarHBondContact O-N 2.84Å; D880-K884 IonicContact OD2-NZ 3.17Å |
| 881 | L | 69.7 | Low | 66 | Low | 97 Ų | 97 | 101.1 Ų | 101.1 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.3 | -45.4 | 175.3 | -83.8 | 165.9 | 0 | 0 | 0 | 111.7 | V877 I878 T879 D883 K884 M885 | V877-L881 HydrophobicContact CG1-CD1 4.04Å; V877-L881 WeakPolarHBondContact O-CB 3.38Å; V877-L881 WeakPolarHBondContact O-CG 3.44Å; V877-L881 PolarHBondContact O-N 2.99Å; I878-L881 PolarHBondContact O-N 3.42Å; T879-L881 VanDerWaalsContact C-N 3.31Å; T879-L881 PolarHBondContact O-N 3.3Å; L881-D883 VanDerWaalsContact C-N 3.32Å; L881-D883 PolarHBondContact O-N 3.44Å; L881-K884 PolarHBondContact O-N 2.84Å; L881-M885 WeakPolarHBondContact O-CB 3.48Å; L881-M885 VanDerWaalsContact O-CG 3.3Å; L881-M885 WeakPolarHBondContact O-CG 3.17Å; L881-M885 PolarHBondContact O-N 3.07Å |
| 882 | L | 71.5 | Confident | 63.9 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -39.6 | 176.7 | -75.1 | 169.8 | 0 | 0 | 0 | 111.6 | I878 T879 M885 K886 | I878-L882 HydrophobicContact CG2-CD1 3.9Å; I878-L882 HydrophobicContact CG2-CG 4.41Å; I878-L882 WeakPolarHBondContact O-CB 3.43Å; I878-L882 VanDerWaalsContact O-CG 3.28Å; I878-L882 WeakPolarHBondContact O-CG 3.23Å; I878-L882 PolarHBondContact O-N 3.4Å; T879-L882 PolarHBondContact O-N 2.71Å; L882-M885 PolarHBondContact O-N 2.94Å; L882-K886 WeakPolarHBondContact O-CG 3.3Å; L882-K886 PolarHBondContact O-N 3.49Å |
| 883 | D | 72.8 | Confident | 61.8 | Low | 75 Ų | 75 | 108.3 Ų | 108.3 | 40% | 0.401 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.2 | -36.5 | 176 | -75.5 | -10.9 | 0 | 0 | 0 | 111.9 | T879 L881 M885 K886 V887 | T879-D883 PolarHBondContact O-N 3.23Å; L881-D883 VanDerWaalsContact C-N 3.32Å; L881-D883 PolarHBondContact O-N 3.44Å; D883-M885 VanDerWaalsContact C-N 3.33Å; D883-M885 PolarHBondContact O-N 3.44Å; D883-K886 PolarHBondContact O-N 2.84Å; D883-K886 IonicContact OD1-NZ 2.91Å; D883-K886 PolarHBondContact OD1-NZ 3.44Å; D883-V887 WeakPolarHBondContact O-CB 3.49Å; D883-V887 WeakPolarHBondContact O-CG2 3.22Å; D883-V887 PolarHBondContact O-N 3.11Å |
| 884 | K | 71.8 | Confident | 59.6 | Low | 125 Ų | 125 | 108.8 Ų | 108.8 | 54% | 0.543 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -36.3 | 169.3 | -77.8 | 168.7 | -175.7 | 159.5 | 0 | 112.7 | D880 L881 V887 S888 | D880-K884 WeakPolarHBondContact O-CB 3.13Å; D880-K884 VanDerWaalsContact O-CG 3.25Å; D880-K884 WeakPolarHBondContact O-CG 3.46Å; D880-K884 PolarHBondContact O-N 2.84Å; D880-K884 IonicContact OD2-NZ 3.17Å; L881-K884 PolarHBondContact O-N 2.84Å; K884-V887 PolarHBondContact O-N 2.75Å; K884-S888 WeakPolarHBondContact O-CB 3.18Å; K884-S888 PolarHBondContact O-N 3.16Å; K884-S888 PolarHBondContact O-OG 2.86Å |
| 885 | M | 57 | Low | 57.5 | Low | 85 Ų | 85 | 111 Ų | 111 | 42% | 0.419 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -36.5 | 173.9 | -74.3 | 179.4 | 69.9 | 0 | 0 | 112.1 | L881 L882 D883 L926 | L881-M885 WeakPolarHBondContact O-CB 3.48Å; L881-M885 VanDerWaalsContact O-CG 3.3Å; L881-M885 WeakPolarHBondContact O-CG 3.17Å; L881-M885 PolarHBondContact O-N 3.07Å; L882-M885 PolarHBondContact O-N 2.94Å; D883-M885 VanDerWaalsContact C-N 3.33Å; D883-M885 PolarHBondContact O-N 3.44Å; M885-L926 HydrophobicContact CE-CD1 3.9Å |
| 886 | K | 59.7 | Low | 55.4 | Low | 154 Ų | 154 | 114.5 Ų | 114.5 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.5 | -31.9 | 171 | -70.2 | 170.5 | -160.9 | 154.3 | 0 | 113.1 | L882 D883 | L882-K886 WeakPolarHBondContact O-CG 3.3Å; L882-K886 PolarHBondContact O-N 3.49Å; D883-K886 PolarHBondContact O-N 2.84Å; D883-K886 IonicContact OD1-NZ 2.91Å; D883-K886 PolarHBondContact OD1-NZ 3.44Å |
| 887 | V | 53.3 | Low | 53.1 | Low | 125 Ų | 125 | 115 Ų | 115 | 76% | 0.758 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.9 | -24.4 | -176.4 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | D883 K884 G889 | D883-V887 WeakPolarHBondContact O-CB 3.49Å; D883-V887 WeakPolarHBondContact O-CG2 3.22Å; D883-V887 PolarHBondContact O-N 3.11Å; K884-V887 PolarHBondContact O-N 2.75Å; V887-G889 VanDerWaalsContact C-N 3.28Å; V887-G889 PolarHBondContact O-N 3.46Å |
| 888 | S | 42.5 | Very low | 51.4 | Low | 84 Ų | 84 | 116.6 Ų | 116.6 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | trans | -88.7 | 40.6 | -177.7 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | K884 V890 | K884-S888 WeakPolarHBondContact O-CB 3.18Å; K884-S888 PolarHBondContact O-N 3.16Å; K884-S888 PolarHBondContact O-OG 2.86Å; S888-V890 VanDerWaalsContact C-N 3.34Å; S888-V890 PolarHBondContact O-N 2.78Å | ||
| 889 | G | 34.9 | Very low | 49.3 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | -72.5 | 78 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V887 | V887-G889 VanDerWaalsContact C-N 3.28Å; V887-G889 PolarHBondContact O-N 3.46Å | ||
| 890 | V | 39 | Very low | 47.1 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | trans | -117.3 | 97.6 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | S888 | S888-V890 VanDerWaalsContact C-N 3.34Å; S888-V890 PolarHBondContact O-N 2.78Å | ||
| 891 | L | 33.9 | Very low | 45.1 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | trans | -79.6 | 152.4 | 174.2 | -81.2 | 149 | 0 | 0 | 0 | 112.5 | ||||
| 892 | N | 34.2 | Very low | 43.3 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | 69.7 | 96.9 | 148 | -56.9 | -18.7 | 0 | 0 | 0 | 120.5 | ||||
| 893 | Q | 36.4 | Very low | 41.4 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | -163.2 | 88.6 | 138.8 | -105.8 | 161.9 | 47.5 | 0 | 0 | 107.3 | ||||
| 894 | S | 33.4 | Very low | 39.6 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | 78 | 102.2 | 76 | 72.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 895 | D | 32.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | 50.1 | 104.5 | 142.6 | -52.4 | -28.6 | 0 | 0 | 0 | 120.1 | ||||
| 896 | H | 32.3 | Very low | 36.6 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | -177.1 | 154.6 | 122.9 | -90.2 | -61.8 | 0 | 0 | 0 | 109.2 | |||||
| 897 | I | 34.3 | Very low | 35.3 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 68.2 | 93.9 | -179.7 | -37.5 | 163.1 | 0 | 0 | 0 | 112.5 | ||
| 898 | S | 41 | Very low | 34.5 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | -169.9 | 59.8 | 83.7 | -61 | 0 | 0 | 0 | 0 | 112 | E900 | S898-E900 PolarHBondContact O-N 3.3Š| |||
| 899 | R | 30.5 | Very low | 34.1 | Very low | 259 Ų | 259 | 146 Ų | 146 | 98% | 0.977 | 79% | 0.79 | S | S | * | * | trans | -84.8 | 93.1 | 167.6 | -98.2 | -170.2 | -178.7 | 167.4 | 1.8 | 109.7 | ||||
| 900 | E | 32.6 | Very low | 34 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -151.2 | 131.3 | 158 | -133.6 | 166.3 | -167.5 | 0 | 0 | 109.6 | S898 | S898-E900 PolarHBondContact O-N 3.3Š| ||
| 901 | I | 32.9 | Very low | 33.8 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 65.7 | 101.3 | 173 | -47.4 | 167.3 | 0 | 0 | 0 | 112.8 | ||
| 902 | I | 33.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | cis | -140.5 | 150.9 | 34.7 | -53.5 | 175.5 | 0 | 0 | 0 | 111.1 | ||||
| 903 | H | 31.6 | Very low | 33.5 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -48.5 | 157.8 | 165.8 | -57.4 | -95.2 | 0 | 0 | 0 | 112.6 | ||||
| 904 | T | 33.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | -162.8 | 142.8 | 42.3 | -34.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 905 | E | 31.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 23.9 | 131.4 | 164.2 | -66.8 | -177.6 | 145.3 | 0 | 0 | 123.6 | ||||
| 906 | P | 34 | Very low | 33.3 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -100.8 | 165.2 | 167.5 | 40.2 | -33 | 0 | 0 | 0 | 112.9 | ||||
| 907 | D | 33.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -155.8 | 131.9 | 154.5 | -131.9 | -17.2 | 0 | 0 | 0 | 114.8 | ||||
| 908 | S | 35.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 149.1 | 161.8 | 74.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 909 | S | 35.2 | Very low | 34 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | cis | -175.2 | 139.7 | -30 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 910 | I | 32.8 | Very low | 34.9 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 83.4 | 126.9 | 141.2 | -68 | 161.8 | 0 | 0 | 0 | 122.4 | ||||
| 911 | S | 33.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 87.8 | 89.4 | 145.3 | -161.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 912 | L | 31.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | 25.4 | 117.2 | 115.9 | -116.6 | 75.3 | 0 | 0 | 0 | 120.6 | |||||
| 913 | A | 30.5 | Very low | 37.3 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -162 | 125.9 | 130.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 914 | P | 32.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -102.5 | 137 | -168.3 | 36 | -31.6 | 0 | 0 | 0 | 113.9 | ||||
| 915 | Y | 31.7 | Very low | 39.9 | Very low | 214 Ų | 214 | 133 Ų | 133 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -162.6 | 105.2 | 157.4 | -124.9 | -89.5 | 0 | 0 | 0 | 114.2 | V917 | Y915-V917 PolarHBondContact O-N 2.83Š| ||
| 916 | V | 34.6 | Very low | 41.2 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 50.5 | 52.6 | 138.4 | -159.3 | 0 | 0 | 0 | 0 | 119.8 | ||
| 917 | V | 40.5 | Very low | 42.8 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 66% | 0.655 | 68% | 0.682 | S | S | * | * | trans | -132.6 | -16 | 170.2 | -176 | 0 | 0 | 0 | 0 | 115.1 | Y915 E919 | Y915-V917 PolarHBondContact O-N 2.83Å; V917-E919 PolarHBondContact O-N 3.28Å | ||
| 918 | F | 40.3 | Very low | 44.7 | Very low | 162 Ų | 162 | 122 Ų | 122 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.2 | -8.2 | -167 | -84.9 | -77.4 | 0 | 0 | 0 | 118 | ||
| 919 | E | 41.4 | Very low | 46.4 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.9 | -32.8 | -179.2 | -72.5 | -175.6 | 158.3 | 0 | 0 | 113.4 | V917 T923 | V917-E919 PolarHBondContact O-N 3.28Å; E919-T923 PolarHBondContact O-N 3.01Å; E919-T923 PolarHBondContact O-OG1 3.15Å |
| 920 | N | 49.2 | Very low | 48.1 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.2 | -37.7 | 175.2 | -82.7 | 9.7 | 0 | 0 | 0 | 111.8 | R922 T923 E924 | N920-R922 PolarHBondContact O-N 3.02Å; N920-T923 WeakPolarHBondContact CA-OG1 3.32Å; N920-T923 PolarHBondContact O-N 2.78Å; N920-T923 PolarHBondContact O-OG1 2.76Å; N920-E924 PolarHBondContact O-N 2.92Å |
| 921 | Q | 48.3 | Very low | 50 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 46% | 0.458 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.4 | -34.4 | -173.1 | -160.7 | 161 | 17 | 0 | 0 | 112.5 | E925 | Q921-E925 WeakPolarHBondContact O-CB 3.01Å; Q921-E925 VanDerWaalsContact O-CG 3.31Å; Q921-E925 WeakPolarHBondContact O-CG 3.4Å; Q921-E925 PolarHBondContact O-N 3.05Å |
| 922 | R | 47.8 | Very low | 52 | Low | 174 Ų | 174 | 117.2 Ų | 117.2 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.2 | -27.1 | 172.2 | -88 | -173.7 | 175.5 | -179.8 | -0.1 | 114.2 | N920 L926 | N920-R922 PolarHBondContact O-N 3.02Å; R922-L926 WeakPolarHBondContact O-CB 3.3Å; R922-L926 WeakPolarHBondContact O-CG 3.27Å; R922-L926 PolarHBondContact O-N 2.71Å |
| 923 | T | 54.3 | Low | 53.6 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 43% | 0.429 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77.1 | -32.1 | 173 | 45.3 | 0 | 0 | 0 | 0 | 111.3 | E919 N920 S927 | E919-T923 PolarHBondContact O-N 3.01Å; E919-T923 PolarHBondContact O-OG1 3.15Å; N920-T923 WeakPolarHBondContact CA-OG1 3.32Å; N920-T923 PolarHBondContact O-N 2.78Å; N920-T923 PolarHBondContact O-OG1 2.76Å; T923-S927 WeakPolarHBondContact O-CB 3.39Å; T923-S927 PolarHBondContact O-N 3.09Å |
| 924 | E | 58.8 | Low | 55.5 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -44 | 165.6 | -76.1 | -179.4 | 145.7 | 0 | 0 | 112.3 | N920 S927 S928 | N920-E924 PolarHBondContact O-N 2.92Å; E924-S927 PolarHBondContact O-N 2.71Å; E924-S928 WeakPolarHBondContact O-CB 3.21Å; E924-S928 PolarHBondContact O-N 3.48Å |
| 925 | E | 61.8 | Low | 57.7 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.8 | -49.9 | 173.4 | -78.1 | 171 | 174.7 | 0 | 0 | 111.2 | Q921 S927 S928 V929 | Q921-E925 WeakPolarHBondContact O-CB 3.01Å; Q921-E925 VanDerWaalsContact O-CG 3.31Å; Q921-E925 WeakPolarHBondContact O-CG 3.4Å; Q921-E925 PolarHBondContact O-N 3.05Å; E925-S927 VanDerWaalsContact C-N 3.33Å; E925-S927 PolarHBondContact O-N 3.45Å; E925-S928 PolarHBondContact O-N 2.69Å; E925-S928 PolarHBondContact O-OG 2.71Å; E925-V929 WeakPolarHBondContact O-CG2 3.45Å; E925-V929 PolarHBondContact O-N 3.37Å |
| 926 | L | 57.6 | Low | 59.7 | Low | 88 Ų | 88 | 110.3 Ų | 110.3 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -36.1 | 176.2 | -82.7 | 164.6 | 0 | 0 | 0 | 112.7 | M885 R922 V929 L930 | M885-L926 HydrophobicContact CE-CD1 3.9Å; R922-L926 WeakPolarHBondContact O-CB 3.3Å; R922-L926 WeakPolarHBondContact O-CG 3.27Å; R922-L926 PolarHBondContact O-N 2.71Å; L926-V929 PolarHBondContact O-N 2.71Å; L926-L930 WeakPolarHBondContact O-CB 3.19Å; L926-L930 PolarHBondContact O-N 2.86Å |
| 927 | S | 67.6 | Low | 61.4 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -40.2 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | T923 E924 E925 L930 A931 | T923-S927 WeakPolarHBondContact O-CB 3.39Å; T923-S927 PolarHBondContact O-N 3.09Å; E924-S927 PolarHBondContact O-N 2.71Å; E925-S927 VanDerWaalsContact C-N 3.33Å; E925-S927 PolarHBondContact O-N 3.45Å; S927-L930 PolarHBondContact O-N 3.42Å; S927-A931 VanDerWaalsContact O-CB 3.3Å; S927-A931 WeakPolarHBondContact O-CB 3.44Å; S927-A931 PolarHBondContact O-N 2.89Å |
| 928 | S | 73.4 | Confident | 63 | Low | 64 Ų | 64 | 111.6 Ų | 111.6 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.1 | -36.1 | 175.8 | 80.1 | 0 | 0 | 0 | 0 | 112.6 | E924 E925 A931 Q932 | E924-S928 WeakPolarHBondContact O-CB 3.21Å; E924-S928 PolarHBondContact O-N 3.48Å; E925-S928 PolarHBondContact O-N 2.69Å; E925-S928 PolarHBondContact O-OG 2.71Å; S928-A931 PolarHBondContact O-N 2.92Å; S928-Q932 WeakPolarHBondContact O-CB 3.31Å; S928-Q932 PolarHBondContact O-N 3.25Å |
| 929 | V | 70.6 | Confident | 64.7 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | E925 L926 Q932 C933 | E925-V929 WeakPolarHBondContact O-CG2 3.45Å; E925-V929 PolarHBondContact O-N 3.37Å; L926-V929 PolarHBondContact O-N 2.71Å; V929-Q932 PolarHBondContact O-N 2.9Å; V929-C933 WeakPolarHBondContact O-CB 3.43Å; V929-C933 PolarHBondContact O-N 2.81Å |
| 930 | L | 70.9 | Confident | 66.1 | Low | 99 Ų | 99 | 105.3 Ų | 105.3 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 172.2 | -87.7 | 162 | 0 | 0 | 0 | 111.8 | L926 S927 C933 Q934 | L926-L930 WeakPolarHBondContact O-CB 3.19Å; L926-L930 PolarHBondContact O-N 2.86Å; S927-L930 PolarHBondContact O-N 3.42Å; L930-C933 PolarHBondContact O-N 3.01Å; L930-Q934 WeakPolarHBondContact O-CB 3.48Å; L930-Q934 WeakPolarHBondContact O-CG 3.18Å; L930-Q934 PolarHBondContact O-N 3.48Å |
| 931 | A | 73.5 | Confident | 67.3 | Low | 50 Ų | 50 | 108.5 Ų | 108.5 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S927 S928 Q934 Q935 | S927-A931 VanDerWaalsContact O-CB 3.3Å; S927-A931 WeakPolarHBondContact O-CB 3.44Å; S927-A931 PolarHBondContact O-N 2.89Å; S928-A931 PolarHBondContact O-N 2.92Å; A931-Q934 PolarHBondContact O-N 2.93Å; A931-Q935 VanDerWaalsContact O-CB 3.3Å; A931-Q935 WeakPolarHBondContact O-CB 2.94Å; A931-Q935 PolarHBondContact O-N 3.06Å |
| 932 | Q | 75.4 | Confident | 68.5 | Low | 141 Ų | 141 | 107.7 Ų | 107.7 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 172.2 | -82.4 | -169.5 | -5.9 | 0 | 0 | 112.6 | S928 V929 Q935 K936 | S928-Q932 WeakPolarHBondContact O-CB 3.31Å; S928-Q932 PolarHBondContact O-N 3.25Å; V929-Q932 PolarHBondContact O-N 2.9Å; Q932-Q935 PolarHBondContact O-N 3.46Å; Q932-K936 WeakPolarHBondContact O-CB 3.3Å; Q932-K936 PolarHBondContact O-N 3.37Å |
| 933 | C | 65.1 | Low | 69.6 | Low | 70 Ų | 70 | 104.7 Ų | 104.7 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 174.3 | -96.5 | 0 | 0 | 0 | 0 | 112.2 | V929 L930 N937 | V929-C933 WeakPolarHBondContact O-CB 3.43Å; V929-C933 PolarHBondContact O-N 2.81Å; L930-C933 PolarHBondContact O-N 3.01Å; C933-N937 VanDerWaalsContact O-CB 3.27Å; C933-N937 WeakPolarHBondContact O-CB 3.3Å; C933-N937 PolarHBondContact O-N 2.81Å; C933-N937 PolarHBondContact O-ND2 3.07Å; C933-N937 VanDerWaalsContact O-ND2 3.16Å |
| 934 | Q | 71.4 | Confident | 70.1 | Confident | 135 Ų | 135 | 107.1 Ų | 107.1 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.5 | -43.5 | 173.5 | -75.9 | 178.6 | -12.1 | 0 | 0 | 111.6 | L930 A931 N937 Y938 | L930-Q934 WeakPolarHBondContact O-CB 3.48Å; L930-Q934 WeakPolarHBondContact O-CG 3.18Å; L930-Q934 PolarHBondContact O-N 3.48Å; A931-Q934 PolarHBondContact O-N 2.93Å; Q934-N937 CarbonylContact O-C 3.56Å; Q934-N937 PolarHBondContact O-N 3.41Å; Q934-Y938 WeakPolarHBondContact O-CB 3.45Å; Q934-Y938 PolarHBondContact O-N 2.79Å |
| 935 | Q | 77.3 | Confident | 70.5 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.8 | -51 | 173.8 | -174.9 | 72.9 | 27.8 | 0 | 0 | 110.9 | A931 Q932 N937 Y938 E939 | A931-Q935 VanDerWaalsContact O-CB 3.3Å; A931-Q935 WeakPolarHBondContact O-CB 2.94Å; A931-Q935 PolarHBondContact O-N 3.06Å; Q932-Q935 PolarHBondContact O-N 3.46Å; Q935-N937 VanDerWaalsContact C-N 3.34Å; Q935-N937 PolarHBondContact O-N 3.39Å; Q935-Y938 WeakPolarHBondContact O-CB 3.44Å; Q935-Y938 PolarHBondContact O-N 3.01Å; Q935-Y938 VanDerWaalsContact O-N 3.11Å; Q935-E939 PolarHBondContact NE2-OE1 3.43Å; Q935-E939 WeakPolarHBondContact O-CG 3.19Å; Q935-E939 PolarHBondContact O-N 2.74Å |
| 936 | K | 74.3 | Confident | 70.7 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | 175 | -95.1 | -174.7 | 171.2 | 177.5 | 0 | 113.3 | Q932 Y938 L940 | Q932-K936 WeakPolarHBondContact O-CB 3.3Å; Q932-K936 PolarHBondContact O-N 3.37Å; K936-Y938 VanDerWaalsContact C-N 3.33Å; K936-L940 VanDerWaalsContact O-CB 3.28Å; K936-L940 WeakPolarHBondContact O-CB 3.4Å; K936-L940 PolarHBondContact O-N 3.23Å |
| 937 | N | 70.8 | Confident | 70.6 | Confident | 99 Ų | 99 | 104.8 Ų | 104.8 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.1 | -31.5 | 174.3 | -87.4 | -41.6 | 0 | 0 | 0 | 112.3 | C933 Q934 Q935 R941 | C933-N937 VanDerWaalsContact O-CB 3.27Å; C933-N937 WeakPolarHBondContact O-CB 3.3Å; C933-N937 PolarHBondContact O-N 2.81Å; C933-N937 PolarHBondContact O-ND2 3.07Å; C933-N937 VanDerWaalsContact O-ND2 3.16Å; Q934-N937 CarbonylContact O-C 3.56Å; Q934-N937 PolarHBondContact O-N 3.41Å; Q935-N937 VanDerWaalsContact C-N 3.34Å; Q935-N937 PolarHBondContact O-N 3.39Å; N937-R941 WeakPolarHBondContact O-CB 3.41Å; N937-R941 PolarHBondContact O-N 2.88Å |
| 938 | Y | 74.4 | Confident | 70.2 | Confident | 164 Ų | 164 | 107.6 Ų | 107.6 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.6 | -45.1 | 173.6 | -162.6 | -83.5 | 0 | 0 | 0 | 110.6 | Q934 Q935 K936 R941 E942 | Q934-Y938 WeakPolarHBondContact O-CB 3.45Å; Q934-Y938 PolarHBondContact O-N 2.79Å; Q935-Y938 WeakPolarHBondContact O-CB 3.44Å; Q935-Y938 PolarHBondContact O-N 3.01Å; Q935-Y938 VanDerWaalsContact O-N 3.11Å; K936-Y938 VanDerWaalsContact C-N 3.33Å; Y938-R941 CarbonylContact O-C 3.59Å; Y938-R941 PolarHBondContact O-N 3.42Å; Y938-E942 WeakPolarHBondContact O-CB 3.13Å; Y938-E942 PolarHBondContact O-N 3.19Å |
| 939 | E | 75.7 | Confident | 69.5 | Low | 92 Ų | 92 | 110.7 Ų | 110.7 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 173 | -72.9 | 167.2 | -167.5 | 0 | 0 | 111.7 | Q935 R941 E942 Q943 | Q935-E939 PolarHBondContact NE2-OE1 3.43Å; Q935-E939 WeakPolarHBondContact O-CG 3.19Å; Q935-E939 PolarHBondContact O-N 2.74Å; E939-R941 VanDerWaalsContact C-N 3.34Å; E939-R941 PolarHBondContact O-N 2.74Å; E939-E942 PolarHBondContact O-N 2.81Å; E939-Q943 WeakPolarHBondContact O-CB 3.17Å; E939-Q943 VanDerWaalsContact O-CG 3.25Å; E939-Q943 WeakPolarHBondContact O-CG 3.46Å; E939-Q943 PolarHBondContact O-N 3.27Å |
| 940 | L | 70.9 | Confident | 68.6 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.4 | -39.9 | 173.6 | -90.6 | 157.3 | 0 | 0 | 0 | 112.2 | K936 Y944 | K936-L940 VanDerWaalsContact O-CB 3.28Å; K936-L940 WeakPolarHBondContact O-CB 3.4Å; K936-L940 PolarHBondContact O-N 3.23Å; L940-Y944 WeakPolarHBondContact O-CB 3.23Å; L940-Y944 PolarHBondContact O-N 3Å |
| 941 | R | 73 | Confident | 67.3 | Low | 184 Ų | 184 | 115.7 Ų | 115.7 | 69% | 0.694 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.8 | -33.9 | 176.9 | -171.2 | -178.1 | -65.6 | -155.6 | -0.9 | 111.9 | N937 Y938 E939 S945 | N937-R941 WeakPolarHBondContact O-CB 3.41Å; N937-R941 PolarHBondContact O-N 2.88Å; Y938-R941 CarbonylContact O-C 3.59Å; Y938-R941 PolarHBondContact O-N 3.42Å; E939-R941 VanDerWaalsContact C-N 3.34Å; E939-R941 PolarHBondContact O-N 2.74Å; R941-S945 VanDerWaalsContact O-CB 3.27Å; R941-S945 WeakPolarHBondContact O-CB 3.47Å; R941-S945 PolarHBondContact O-N 2.76Å; R941-S945 PolarHBondContact O-OG 3.31Å |
| 942 | E | 73.6 | Confident | 65.8 | Low | 82 Ų | 82 | 116.9 Ų | 116.9 | 38% | 0.383 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.5 | -45.3 | 173.6 | -163 | -166 | 150.3 | 0 | 0 | 110.5 | Y938 E939 Y944 S945 R946 | Y938-E942 WeakPolarHBondContact O-CB 3.13Å; Y938-E942 PolarHBondContact O-N 3.19Å; E939-E942 PolarHBondContact O-N 2.81Å; E942-Y944 PolarHBondContact O-N 2.98Å; E942-S945 CarbonylContact O-C 3.58Å; E942-S945 PolarHBondContact O-N 3.19Å; E942-S945 VanDerWaalsContact O-N 3.15Å; E942-R946 WeakPolarHBondContact O-CB 3.21Å; E942-R946 VanDerWaalsContact O-CG 3.31Å; E942-R946 WeakPolarHBondContact O-CG 3.3Å; E942-R946 PolarHBondContact O-N 2.97Å; E942-R946 IonicContact OE1-CZ 2.81Å; E942-R946 IonicContact OE1-NE 3.03Å; E942-R946 PolarHBondContact OE1-NE 3.24Å; E942-R946 IonicContact OE1-NH2 3.99Å; E942-R946 PolarHBondContact OE1-NH2 3.04Å |
| 943 | Q | 70.7 | Confident | 63.9 | Low | 111 Ų | 111 | 116.4 Ų | 116.4 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.4 | -42.1 | 173.3 | -67.6 | -66.9 | -4.3 | 0 | 0 | 111.6 | E939 S945 R946 L947 | E939-Q943 WeakPolarHBondContact O-CB 3.17Å; E939-Q943 VanDerWaalsContact O-CG 3.25Å; E939-Q943 WeakPolarHBondContact O-CG 3.46Å; E939-Q943 PolarHBondContact O-N 3.27Å; Q943-S945 VanDerWaalsContact C-N 3.33Å; Q943-S945 PolarHBondContact O-N 3.18Å; Q943-R946 PolarHBondContact O-N 2.78Å; Q943-L947 WeakPolarHBondContact O-CB 3.19Å; Q943-L947 PolarHBondContact O-N 2.73Å |
| 944 | Y | 65.1 | Low | 62.5 | Low | 120 Ų | 120 | 118.7 Ų | 118.7 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -34.8 | 173.8 | -167.5 | -102.6 | 0 | 0 | 0 | 112.1 | L940 E942 R948 | L940-Y944 WeakPolarHBondContact O-CB 3.23Å; L940-Y944 PolarHBondContact O-N 3Å; E942-Y944 PolarHBondContact O-N 2.98Å; Y944-R948 WeakPolarHBondContact O-CB 3.45Å; Y944-R948 PolarHBondContact O-N 2.76Å |
| 945 | S | 66.5 | Low | 60.8 | Low | 53 Ų | 53 | 116.8 Ų | 116.8 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -38.9 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | R941 E942 Q943 R948 N949 | R941-S945 VanDerWaalsContact O-CB 3.27Å; R941-S945 WeakPolarHBondContact O-CB 3.47Å; R941-S945 PolarHBondContact O-N 2.76Å; R941-S945 PolarHBondContact O-OG 3.31Å; E942-S945 CarbonylContact O-C 3.58Å; E942-S945 PolarHBondContact O-N 3.19Å; E942-S945 VanDerWaalsContact O-N 3.15Å; Q943-S945 VanDerWaalsContact C-N 3.33Å; Q943-S945 PolarHBondContact O-N 3.18Å; S945-R948 PolarHBondContact O-N 3.12Å; S945-N949 VanDerWaalsContact O-CB 3.27Å; S945-N949 WeakPolarHBondContact O-CB 3.47Å; S945-N949 PolarHBondContact O-N 3.05Å; S945-N949 PolarHBondContact O-ND2 2.88Å; S945-N949 PolarHBondContact O-OD1 3.46Å |
| 946 | R | 67.4 | Low | 58.7 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -47.6 | 171.2 | -71.2 | 171.9 | -179 | -140 | 4.5 | 110.7 | E942 Q943 N949 L950 | E942-R946 WeakPolarHBondContact O-CB 3.21Å; E942-R946 VanDerWaalsContact O-CG 3.31Å; E942-R946 WeakPolarHBondContact O-CG 3.3Å; E942-R946 PolarHBondContact O-N 2.97Å; E942-R946 IonicContact OE1-CZ 2.81Å; E942-R946 IonicContact OE1-NE 3.03Å; E942-R946 PolarHBondContact OE1-NE 3.24Å; E942-R946 IonicContact OE1-NH2 3.99Å; E942-R946 PolarHBondContact OE1-NH2 3.04Å; Q943-R946 PolarHBondContact O-N 2.78Å; R946-N949 PolarHBondContact O-N 3.2Å; R946-L950 VanDerWaalsContact O-CG 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.31Å; R946-L950 PolarHBondContact O-N 3.35Å |
| 947 | L | 54.2 | Low | 56.8 | Low | 92 Ų | 92 | 111.7 Ų | 111.7 | 48% | 0.482 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -44.4 | 173.4 | -89 | 156.9 | 0 | 0 | 0 | 112.6 | Q943 N949 L950 L951 | Q943-L947 WeakPolarHBondContact O-CB 3.19Å; Q943-L947 PolarHBondContact O-N 2.73Å; L947-N949 VanDerWaalsContact C-N 3.33Å; L947-N949 PolarHBondContact O-N 3Å; L947-L950 WeakPolarHBondContact O-CB 3.42Å; L947-L950 PolarHBondContact O-N 3.45Å; L947-L951 WeakPolarHBondContact O-CB 3.49Å; L947-L951 VanDerWaalsContact O-CG 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.44Å; L947-L951 PolarHBondContact O-N 3.08Å |
| 948 | R | 59.5 | Low | 55.2 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 51% | 0.506 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -38.2 | 178 | -164.2 | -179.9 | -151.8 | 161.1 | 14.6 | 111.8 | Y944 S945 L951 S952 | Y944-R948 WeakPolarHBondContact O-CB 3.45Å; Y944-R948 PolarHBondContact O-N 2.76Å; S945-R948 PolarHBondContact O-N 3.12Å; R948-L951 PolarHBondContact O-N 3.36Å; R948-S952 WeakPolarHBondContact O-CB 3.37Å; R948-S952 PolarHBondContact O-N 2.94Å; R948-S952 PolarHBondContact O-OG 2.89Å |
| 949 | N | 59.5 | Low | 53.1 | Low | 128 Ų | 128 | 115 Ų | 115 | 68% | 0.684 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.6 | -30.7 | 175 | -69.2 | -8.7 | 0 | 0 | 0 | 112.4 | S945 R946 L947 | S945-N949 VanDerWaalsContact O-CB 3.27Å; S945-N949 WeakPolarHBondContact O-CB 3.47Å; S945-N949 PolarHBondContact O-N 3.05Å; S945-N949 PolarHBondContact O-ND2 2.88Å; S945-N949 PolarHBondContact O-OD1 3.46Å; R946-N949 PolarHBondContact O-N 3.2Å; L947-N949 VanDerWaalsContact C-N 3.33Å; L947-N949 PolarHBondContact O-N 3Å |
| 950 | L | 50.7 | Low | 51 | Low | 145 Ų | 145 | 116.1 Ų | 116.1 | 76% | 0.759 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.5 | -33.8 | 170.5 | -74.3 | 164.1 | 0 | 0 | 0 | 112.4 | R946 L947 | R946-L950 VanDerWaalsContact O-CG 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.31Å; R946-L950 PolarHBondContact O-N 3.35Å; L947-L950 WeakPolarHBondContact O-CB 3.42Å; L947-L950 PolarHBondContact O-N 3.45Å |
| 951 | L | 43.6 | Very low | 49.3 | Very low | 137 Ų | 137 | 118 Ų | 118 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -90.5 | -8.3 | -176.7 | -68.7 | 165.8 | 0 | 0 | 0 | 114.5 | L947 R948 | L947-L951 WeakPolarHBondContact O-CB 3.49Å; L947-L951 VanDerWaalsContact O-CG 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.44Å; L947-L951 PolarHBondContact O-N 3.08Å; R948-L951 PolarHBondContact O-N 3.36Å |
| 952 | S | 42.8 | Very low | 47.5 | Very low | 74 Ų | 74 | 114.6 Ų | 114.6 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -117.9 | 84.9 | -175.4 | -47.8 | 0 | 0 | 0 | 0 | 111.6 | R948 | R948-S952 WeakPolarHBondContact O-CB 3.37Å; R948-S952 PolarHBondContact O-N 2.94Å; R948-S952 PolarHBondContact O-OG 2.89Å |
| 953 | T | 35.4 | Very low | 45.7 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | trans | -55.5 | 158.4 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 954 | P | 36.5 | Very low | 44.1 | Very low | 118 Ų | 118 | 113 Ų | 113 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | cis | -136 | 145.8 | -40.9 | 36 | -20.8 | 0 | 0 | 0 | 111.9 | ||||
| 955 | S | 35.6 | Very low | 42.7 | Very low | 96 Ų | 96 | 110.5 Ų | 110.5 | 67% | 0.671 | 62% | 0.618 | S | S | * | * | trans | -148 | 91.7 | 171.6 | 64.6 | 0 | 0 | 0 | 0 | 117.3 | K391 | K391-S955 PolarHBondContact NZ-O 3.45Š| ||
| 956 | H | 33.4 | Very low | 41.3 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 37% | 0.366 | 64% | 0.635 | S | S | . | * | trans | 74.2 | 146.2 | 131.9 | -142.1 | 47.6 | 0 | 0 | 0 | 118.8 | F387 V388 K391 | F387-H956 AromaticContact CD1-CD2 3.51Å; F387-H956 AromaticContact CD1-NE2 3.45Å; F387-H956 WeakPolarHBondContact CD1-NE2 3.14Å; F387-H956 AromaticContact CE1-CD2 3.47Å; F387-H956 VanDerWaalsContact CE1-CD2 3.47Å; F387-H956 WeakPolarHBondContact CE1-CD2 3.47Å; F387-H956 AromaticContact CE1-NE2 3.91Å; V388-H956 VanDerWaalsContact CG2-CE1 3.43Å; V388-H956 WeakPolarHBondContact CG2-CE1 3.23Å; V388-H956 WeakPolarHBondContact CG2-NE2 3.4Å; K391-H956 HydrophobicContact CD-CB 3.89Å; K391-H956 PolarHBondContact NZ-O 2.83Å | ||
| 957 | N | 32.8 | Very low | 40 | Very low | 56 Ų | 56 | 114.4 Ų | 114.4 | 30% | 0.299 | 64% | 0.639 | S | S | . | * | trans | 69.8 | 77.7 | 175.2 | -60.9 | 16.4 | 0 | 0 | 0 | 117.5 | K391 | K391-N957 HydrophobicContact CD-CB 4.33Å; K391-N957 WeakPolarHBondContact CG-ND2 3.47Å | ||
| 958 | Q | 38.3 | Very low | 39.4 | Very low | 195 Ų | 195 | 113.9 Ų | 113.9 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | -164 | 139.9 | 104.9 | -102.6 | 169.3 | 13.7 | 0 | 0 | 110.9 | |||||
| 959 | N | 30.9 | Very low | 38.5 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | trans | -67.4 | 153.5 | -177.2 | -62.4 | -36.1 | 0 | 0 | 0 | 112.3 | ||||
| 960 | V | 31.6 | Very low | 37.7 | Very low | 115 Ų | 115 | 110.1 Ų | 110.1 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 84.1 | 129.3 | 163.5 | -166.4 | 0 | 0 | 0 | 0 | 116.4 | I962 | V960-I962 PolarHBondContact O-N 3.19Š|
| 961 | D | 34.1 | Very low | 37.3 | Very low | 154 Ų | 154 | 111.1 Ų | 111.1 | 82% | 0.824 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 68.6 | -1.7 | 162.8 | -66.9 | -15.1 | 0 | 0 | 0 | 123.6 | G963 | D961-G963 PolarHBondContact O-N 3.22Š|
| 962 | I | 35.6 | Very low | 37.5 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | trans | -103.1 | 36 | -176.7 | -37.8 | -174.9 | 0 | 0 | 0 | 114 | V960 A965 E966 | V960-I962 PolarHBondContact O-N 3.19Å; I962-A965 HydrophobicContact CG2-CB 4.26Å; I962-E966 HydrophobicContact CG2-CG 3.9Å | ||
| 963 | G | 34.9 | Very low | 37.8 | Very low | 73 Ų | 73 | 106.5 Ų | 106.5 | 75% | 0.753 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -79.6 | -18.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D961 | D961-G963 PolarHBondContact O-N 3.22Š|
| 964 | N | 37.8 | Very low | 38.5 | Very low | 87 Ų | 87 | 102.2 Ų | 102.2 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -117.9 | -9.1 | -168.4 | -76.7 | -13.6 | 0 | 0 | 0 | 115.1 | T1104 | N964-T1104 VanDerWaalsContact ND2-CG2 3.32Å; N964-T1104 WeakPolarHBondContact ND2-CG2 3.37Å; N964-T1104 PolarHBondContact ND2-OG1 3.34Å; N964-T1104 WeakPolarHBondContact OD1-CG2 3.43Å |
| 965 | A | 36.1 | Very low | 39.3 | Very low | 67 Ų | 67 | 99.6 Ų | 99.6 | 55% | 0.554 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -106.6 | -17.2 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I962 S968 | I962-A965 HydrophobicContact CG2-CB 4.26Å; A965-S968 PolarHBondContact O-OG 3.45Å |
| 966 | E | 37.8 | Very low | 39.9 | Very low | 158 Ų | 158 | 96.3 Ų | 96.3 | 74% | 0.738 | 53% | 0.527 | S | S | * | . | trans | -111.1 | 20 | -170.9 | -65.6 | -169 | 163.2 | 0 | 0 | 114.8 | I962 S968 | I962-E966 HydrophobicContact CG2-CG 3.9Å; E966-S968 PolarHBondContact O-N 3.04Å | ||
| 967 | L | 38.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 94.7 Ų | 94.7 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | trans | -74 | 42 | 161.8 | -72.6 | 174 | 0 | 0 | 0 | 111.8 | N969 I973 | L967-N969 PolarHBondContact O-N 2.93Å; L967-I973 HydrophobicContact CB-CD1 3.83Å; L967-I973 HydrophobicContact CD2-CD1 3.77Å; L967-I973 HydrophobicContact CG-CD1 4.27Å | ||
| 968 | S | 41.6 | Very low | 41.9 | Very low | 82 Ų | 82 | 96.4 Ų | 96.4 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | trans | -83.3 | 17.8 | -170.9 | -66.3 | 0 | 0 | 0 | 0 | 114.7 | A965 E966 F970 | A965-S968 PolarHBondContact O-OG 3.45Å; E966-S968 PolarHBondContact O-N 3.04Å; S968-F970 PolarHBondContact O-N 2.85Å; S968-F970 VanDerWaalsContact O-N 3.09Å | ||
| 969 | N | 42 | Very low | 42.3 | Very low | 112 Ų | 112 | 91.5 Ų | 91.5 | 60% | 0.599 | 50% | 0.498 | S | S | * | . | trans | -79.8 | 54.5 | 148.5 | -80.8 | -18.1 | 0 | 0 | 0 | 109.1 | L967 E971 I972 I973 | L967-N969 PolarHBondContact O-N 2.93Å; N969-E971 VanDerWaalsContact C-N 3.25Å; N969-E971 PolarHBondContact O-N 3.33Å; N969-I972 PolarHBondContact O-N 3.35Å; N969-I973 PolarHBondContact O-N 3.42Å; N969-I973 VanDerWaalsContact O-N 3.14Å | ||
| 970 | F | 42.5 | Very low | 42.9 | Very low | 70 Ų | 70 | 87.2 Ų | 87.2 | 31% | 0.307 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.7 | -23.8 | -159.7 | -138.8 | -86.3 | 0 | 0 | 0 | 112.3 | S968 H974 N1093 K1096 | S968-F970 PolarHBondContact O-N 2.85Å; S968-F970 VanDerWaalsContact O-N 3.09Å; F970-H974 WeakPolarHBondContact O-CA 3.48Å; F970-H974 WeakPolarHBondContact O-CB 3.31Å; F970-H974 PolarHBondContact O-N 3.35Å; F970-N1093 WeakPolarHBondContact CE1-OD1 3.49Å; F970-N1093 WeakPolarHBondContact CZ-OD1 3.24Å; F970-K1096 HydrophobicContact CE1-CD 4.4Å; F970-K1096 HydrophobicContact CZ-CD 4.42Å; F970-K1096 VanDerWaalsContact CZ-NZ 3.28Å |
| 971 | E | 41.9 | Very low | 43.8 | Very low | 167 Ų | 167 | 85.8 Ų | 85.8 | 78% | 0.78 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -76.4 | -40.1 | 176.8 | -69 | -179.7 | 133.9 | 0 | 0 | 113.4 | N969 H974 T975 | N969-E971 VanDerWaalsContact C-N 3.25Å; N969-E971 PolarHBondContact O-N 3.33Å; E971-H974 PolarHBondContact O-N 2.95Å; E971-T975 VanDerWaalsContact O-CB 3.3Å; E971-T975 WeakPolarHBondContact O-CB 3.34Å; E971-T975 PolarHBondContact O-N 3.16Å; E971-T975 PolarHBondContact O-OG1 3.39Å |
| 972 | I | 48 | Very low | 44.5 | Very low | 73 Ų | 73 | 83.5 Ų | 83.5 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 175.2 | -61.2 | 174.9 | 0 | 0 | 0 | 108.7 | N969 T975 I976 | N969-I972 PolarHBondContact O-N 3.35Å; I972-T975 PolarHBondContact O-N 2.97Å; I972-I976 HydrophobicContact CG2-CD1 3.93Å; I972-I976 WeakPolarHBondContact O-CB 3.48Å; I972-I976 VanDerWaalsContact O-CG1 3.31Å; I972-I976 WeakPolarHBondContact O-CG1 3.41Å; I972-I976 PolarHBondContact O-N 3.42Å |
| 973 | I | 49.9 | Very low | 44.8 | Very low | 40 Ų | 40 | 81.3 Ų | 81.3 | 21% | 0.205 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -70.7 | -32.3 | 177.8 | -66.9 | 172 | 0 | 0 | 0 | 111.6 | L967 N969 I977 | L967-I973 HydrophobicContact CB-CD1 3.83Å; L967-I973 HydrophobicContact CD2-CD1 3.77Å; L967-I973 HydrophobicContact CG-CD1 4.27Å; N969-I973 PolarHBondContact O-N 3.42Å; N969-I973 VanDerWaalsContact O-N 3.14Å; I973-I977 HydrophobicContact CG2-CD1 3.65Å; I973-I977 HydrophobicContact CG2-CG1 4.27Å; I973-I977 WeakPolarHBondContact O-CB 3.46Å; I973-I977 WeakPolarHBondContact O-CG1 3.46Å; I973-I977 PolarHBondContact O-N 3.32Å |
| 974 | H | 48.6 | Very low | 45.3 | Very low | 41 Ų | 41 | 82.7 Ų | 82.7 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -74.6 | -28.1 | 172.9 | -173.7 | 38.4 | 0 | 0 | 0 | 112.2 | F970 E971 K978 | F970-H974 WeakPolarHBondContact O-CA 3.48Å; F970-H974 WeakPolarHBondContact O-CB 3.31Å; F970-H974 PolarHBondContact O-N 3.35Å; E971-H974 PolarHBondContact O-N 2.95Å; H974-K978 WeakPolarHBondContact NE2-CE 3.5Å; H974-K978 PolarHBondContact NE2-NZ 2.9Å; H974-K978 VanDerWaalsContact NE2-NZ 3.2Å; H974-K978 VanDerWaalsContact O-CB 3.23Å; H974-K978 WeakPolarHBondContact O-CB 3.46Å; H974-K978 PolarHBondContact O-N 3.11Å |
| 975 | T | 54.5 | Low | 45.5 | Very low | 64 Ų | 64 | 85 Ų | 85 | 39% | 0.393 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.8 | -46.5 | 170.5 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | E971 I972 K978 R979 | E971-T975 VanDerWaalsContact O-CB 3.3Å; E971-T975 WeakPolarHBondContact O-CB 3.34Å; E971-T975 PolarHBondContact O-N 3.16Å; E971-T975 PolarHBondContact O-OG1 3.39Å; I972-T975 PolarHBondContact O-N 2.97Å; T975-K978 PolarHBondContact O-N 3.35Å; T975-R979 WeakPolarHBondContact O-CB 3.41Å; T975-R979 WeakPolarHBondContact O-CG 3.34Å; T975-R979 PolarHBondContact O-N 3.04Å |
| 976 | I | 47.2 | Very low | 45.6 | Very low | 27 Ų | 27 | 85 Ų | 85 | 14% | 0.138 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 173.4 | -68.7 | 166.5 | 0 | 0 | 0 | 110.3 | I972 R979 L980 | I972-I976 HydrophobicContact CG2-CD1 3.93Å; I972-I976 WeakPolarHBondContact O-CB 3.48Å; I972-I976 VanDerWaalsContact O-CG1 3.31Å; I972-I976 WeakPolarHBondContact O-CG1 3.41Å; I972-I976 PolarHBondContact O-N 3.42Å; I976-R979 PolarHBondContact O-N 2.83Å; I976-L980 HydrophobicContact CG2-CD1 3.71Å; I976-L980 HydrophobicContact CG2-CG 4.31Å; I976-L980 WeakPolarHBondContact O-CB 3.27Å; I976-L980 WeakPolarHBondContact O-CG 3.25Å; I976-L980 PolarHBondContact O-N 3.11Å |
| 977 | I | 55.6 | Low | 45.4 | Very low | 44 Ų | 44 | 85.6 Ų | 85.6 | 23% | 0.226 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.9 | -35.6 | 177.6 | -71.4 | 172.2 | 0 | 0 | 0 | 112.2 | I973 L980 Q981 | I973-I977 HydrophobicContact CG2-CD1 3.65Å; I973-I977 HydrophobicContact CG2-CG1 4.27Å; I973-I977 WeakPolarHBondContact O-CB 3.46Å; I973-I977 WeakPolarHBondContact O-CG1 3.46Å; I973-I977 PolarHBondContact O-N 3.32Å; I977-L980 PolarHBondContact O-N 2.98Å; I977-Q981 HydrophobicContact CG2-CG 4.16Å; I977-Q981 WeakPolarHBondContact O-CB 3.4Å; I977-Q981 VanDerWaalsContact O-CG 3.22Å; I977-Q981 WeakPolarHBondContact O-CG 3.46Å; I977-Q981 PolarHBondContact O-N 3.43Å |
| 978 | K | 53.3 | Low | 45.3 | Very low | 92 Ų | 92 | 83.6 Ų | 83.6 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 170.9 | -91.9 | 176.4 | 168.6 | 159.2 | 0 | 111 | H974 T975 Q981 T982 | H974-K978 WeakPolarHBondContact NE2-CE 3.5Å; H974-K978 PolarHBondContact NE2-NZ 2.9Å; H974-K978 VanDerWaalsContact NE2-NZ 3.2Å; H974-K978 VanDerWaalsContact O-CB 3.23Å; H974-K978 WeakPolarHBondContact O-CB 3.46Å; H974-K978 PolarHBondContact O-N 3.11Å; T975-K978 PolarHBondContact O-N 3.35Å; K978-Q981 PolarHBondContact O-N 3.49Å; K978-T982 WeakPolarHBondContact O-CG2 3.31Å; K978-T982 PolarHBondContact O-N 2.9Å; K978-T982 PolarHBondContact O-OG1 3.31Å; K978-T982 VanDerWaalsContact O-OG1 3.04Å |
| 979 | R | 46 | Very low | 45 | Very low | 92 Ų | 92 | 86.3 Ų | 86.3 | 35% | 0.347 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 174.3 | -77.4 | -174.8 | 174.9 | 171.9 | 5 | 111.2 | E473 T975 I976 Q981 T982 V983 E1003 | E473-R979 IonicContact OE1-NH2 2.98Å; T975-R979 WeakPolarHBondContact O-CB 3.41Å; T975-R979 WeakPolarHBondContact O-CG 3.34Å; T975-R979 PolarHBondContact O-N 3.04Å; I976-R979 PolarHBondContact O-N 2.83Å; R979-Q981 PolarHBondContact O-N 2.8Å; R979-T982 WeakPolarHBondContact CA-OG1 3.49Å; R979-T982 PolarHBondContact O-N 3.19Å; R979-T982 PolarHBondContact O-OG1 3.22Å; R979-V983 WeakPolarHBondContact O-CG2 3.38Å; R979-V983 PolarHBondContact O-N 2.9Å; R979-E1003 IonicContact CZ-OE1 2.84Å; R979-E1003 IonicContact NH1-OE1 2.86Å; R979-E1003 PolarHBondContact NH1-OE1 2.8Å; R979-E1003 IonicContact NH1-OE2 3.51Å |
| 980 | L | 43 | Very low | 44.8 | Very low | 48 Ų | 48 | 84.9 Ų | 84.9 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 174.6 | -71 | 167.9 | 0 | 0 | 0 | 111.8 | I976 I977 V983 V984 L996 V1000 | I976-L980 HydrophobicContact CG2-CD1 3.71Å; I976-L980 HydrophobicContact CG2-CG 4.31Å; I976-L980 WeakPolarHBondContact O-CB 3.27Å; I976-L980 WeakPolarHBondContact O-CG 3.25Å; I976-L980 PolarHBondContact O-N 3.11Å; I977-L980 PolarHBondContact O-N 2.98Å; L980-V983 PolarHBondContact O-N 3.38Å; L980-V983 VanDerWaalsContact O-N 3.16Å; L980-V984 VanDerWaalsContact O-CB 3.31Å; L980-V984 WeakPolarHBondContact O-CB 3.37Å; L980-V984 WeakPolarHBondContact O-CG2 3.43Å; L980-V984 PolarHBondContact O-N 2.83Å; L980-L996 HydrophobicContact CD2-CD1 3.86Å; L980-L996 HydrophobicContact CD2-CD2 3.78Å; L980-L996 HydrophobicContact CD2-CG 3.82Å; L980-V1000 HydrophobicContact CD2-CG2 4.09Å |
| 981 | Q | 50.9 | Low | 44.7 | Very low | 86 Ų | 86 | 82.5 Ų | 82.5 | 40% | 0.402 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 177.3 | -75.5 | 174.8 | -30.7 | 0 | 0 | 113 | I977 K978 R979 V983 N985 | I977-Q981 HydrophobicContact CG2-CG 4.16Å; I977-Q981 WeakPolarHBondContact O-CB 3.4Å; I977-Q981 VanDerWaalsContact O-CG 3.22Å; I977-Q981 WeakPolarHBondContact O-CG 3.46Å; I977-Q981 PolarHBondContact O-N 3.43Å; K978-Q981 PolarHBondContact O-N 3.49Å; R979-Q981 PolarHBondContact O-N 2.8Å; Q981-V983 VanDerWaalsContact C-N 3.29Å; Q981-N985 WeakPolarHBondContact O-CB 3.36Å; Q981-N985 PolarHBondContact O-N 2.79Å; Q981-N985 VanDerWaalsContact O-N 3.16Å; Q981-N985 PolarHBondContact O-ND2 3.48Å |
| 982 | T | 48.8 | Very low | 45 | Very low | 105 Ų | 105 | 76.4 Ų | 76.4 | 64% | 0.644 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.1 | -23.1 | 170.5 | 50 | 0 | 0 | 0 | 0 | 113.4 | K978 R979 | K978-T982 WeakPolarHBondContact O-CG2 3.31Å; K978-T982 PolarHBondContact O-N 2.9Å; K978-T982 PolarHBondContact O-OG1 3.31Å; K978-T982 VanDerWaalsContact O-OG1 3.04Å; R979-T982 WeakPolarHBondContact CA-OG1 3.49Å; R979-T982 PolarHBondContact O-N 3.19Å; R979-T982 PolarHBondContact O-OG1 3.22Å |
| 983 | V | 41.8 | Very low | 44.9 | Very low | 67 Ų | 67 | 78.3 Ų | 78.3 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -86.8 | -34.2 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | R979 L980 Q981 L996 | R979-V983 WeakPolarHBondContact O-CG2 3.38Å; R979-V983 PolarHBondContact O-N 2.9Å; L980-V983 PolarHBondContact O-N 3.38Å; L980-V983 VanDerWaalsContact O-N 3.16Å; Q981-V983 VanDerWaalsContact C-N 3.29Å; V983-L996 HydrophobicContact CG1-CD1 4.38Å |
| 984 | V | 45.1 | Very low | 45.4 | Very low | 101 Ų | 101 | 80.1 Ų | 80.1 | 61% | 0.612 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -79.1 | -20 | -178.5 | 168.4 | 0 | 0 | 0 | 0 | 113.3 | L980 | L980-V984 VanDerWaalsContact O-CB 3.31Å; L980-V984 WeakPolarHBondContact O-CB 3.37Å; L980-V984 WeakPolarHBondContact O-CG2 3.43Å; L980-V984 PolarHBondContact O-N 2.83Å |
| 985 | N | 43.2 | Very low | 45.7 | Very low | 135 Ų | 135 | 79.1 Ų | 79.1 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 25.1 | -178.3 | -71.7 | -24.5 | 0 | 0 | 0 | 114.9 | Q981 | Q981-N985 WeakPolarHBondContact O-CB 3.36Å; Q981-N985 PolarHBondContact O-N 2.79Å; Q981-N985 VanDerWaalsContact O-N 3.16Å; Q981-N985 PolarHBondContact O-ND2 3.48Å |
| 986 | S | 38.6 | Very low | 45.6 | Very low | 68 Ų | 68 | 79.2 Ų | 79.2 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -132.2 | 139.9 | 167.6 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | S988 | S986-S988 PolarHBondContact O-N 3.04Š|
| 987 | E | 33.9 | Very low | 46.3 | Very low | 170 Ų | 170 | 81.4 Ų | 81.4 | 79% | 0.794 | 45% | 0.446 | S | S | * | . | trans | -69.8 | 55.2 | -171.7 | -61 | 166.9 | 142.6 | 0 | 0 | 113.7 | K1143 | E987-K1143 IonicContact OE1-NZ 2.74Å; E987-K1143 PolarHBondContact OE1-NZ 2.79Å; E987-K1143 IonicContact OE2-NZ 3.1Å; E987-K1143 PolarHBondContact OE2-NZ 3.49Å | ||
| 988 | S | 36 | Very low | 46.9 | Very low | 71 Ų | 71 | 82.9 Ų | 82.9 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | trans | -112.8 | 114.4 | 172.8 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | S986 S990 | S986-S988 PolarHBondContact O-N 3.04Å; S988-S990 VanDerWaalsContact C-N 3.27Å; S988-S990 PolarHBondContact O-N 3.09Å | ||
| 989 | E | 34.8 | Very low | 47.3 | Very low | 139 Ų | 139 | 82.3 Ų | 82.3 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | trans | -66 | 88.8 | 163.9 | -54 | -178.4 | 166 | 0 | 0 | 109.6 | A991 N1733 | E989-A991 PolarHBondContact O-N 2.93Å; E989-N1733 WeakPolarHBondContact CB-ND2 3.13Å; E989-N1733 VanDerWaalsContact CD-ND2 3.27Å; E989-N1733 PolarHBondContact OE2-ND2 2.86Å; E989-N1733 PolarHBondContact OE2-OD1 2.99Å | ||
| 990 | S | 37.8 | Very low | 47.6 | Very low | 82 Ų | 82 | 79.9 Ų | 79.9 | 57% | 0.573 | 45% | 0.453 | S | S | * | . | trans | -85.6 | 96.9 | 161.1 | 58.4 | 0 | 0 | 0 | 0 | 107.6 | S988 | S988-S990 VanDerWaalsContact C-N 3.27Å; S988-S990 PolarHBondContact O-N 3.09Å | ||
| 991 | A | 39.9 | Very low | 48.8 | Very low | 21 Ų | 21 | 80.4 Ų | 80.4 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | trans | -64.1 | 157.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | E989 E1729 | E989-A991 PolarHBondContact O-N 2.93Å; A991-E1729 VanDerWaalsContact CB-CD 3.43Å; A991-E1729 WeakPolarHBondContact CB-OE1 3.39Å; A991-E1729 VanDerWaalsContact CB-OE2 3.29Å; A991-E1729 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 992 | N | 47.7 | Very low | 49.6 | Very low | 39 Ų | 39 | 79.5 Ų | 79.5 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | trans | 68 | 97.2 | -175.1 | -63.5 | -8.1 | 0 | 0 | 0 | 114.4 | I994 D995 | N992-I994 HydrophobicContact CB-CB 4.3Å; N992-I994 PolarHBondContact O-N 3.43Å; N992-D995 PolarHBondContact O-N 2.87Å | ||
| 993 | V | 46.1 | Very low | 50.1 | Low | 112 Ų | 112 | 77.2 Ų | 77.2 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -46.8 | -29.1 | 157.4 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | D995 L996 V997 | V993-D995 PolarHBondContact O-N 3.27Å; V993-L996 WeakPolarHBondContact O-CB 3.34Å; V993-L996 PolarHBondContact O-N 2.98Å; V993-V997 HydrophobicContact CG1-CG2 4Å; V993-V997 WeakPolarHBondContact O-CB 3.43Å; V993-V997 VanDerWaalsContact O-CG2 3.31Å; V993-V997 WeakPolarHBondContact O-CG2 3.3Å; V993-V997 PolarHBondContact O-N 2.93Å |
| 994 | I | 60.9 | Low | 51.1 | Low | 78 Ų | 78 | 78.9 Ų | 78.9 | 40% | 0.4 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 174 | -54.5 | 174.6 | 0 | 0 | 0 | 111.6 | N992 L996 V997 D998 | N992-I994 HydrophobicContact CB-CB 4.3Å; N992-I994 PolarHBondContact O-N 3.43Å; I994-L996 VanDerWaalsContact C-N 3.28Å; I994-L996 PolarHBondContact O-N 3.39Å; I994-V997 CarbonylContact O-C 3.58Å; I994-V997 PolarHBondContact O-N 3.43Å; I994-D998 WeakPolarHBondContact O-CB 3.47Å; I994-D998 VanDerWaalsContact O-CG 3.26Å; I994-D998 PolarHBondContact O-N 3.25Å |
| 995 | D | 55.1 | Low | 52.3 | Low | 21 Ų | 21 | 77.7 Ų | 77.7 | 11% | 0.112 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.7 | -33.9 | 179.6 | -75.8 | -37 | 0 | 0 | 0 | 112.1 | N992 V993 T999 R1726 | N992-D995 PolarHBondContact O-N 2.87Å; V993-D995 PolarHBondContact O-N 3.27Å; D995-T999 WeakPolarHBondContact O-CB 3.24Å; D995-T999 PolarHBondContact O-N 2.87Å; D995-T999 PolarHBondContact O-OG1 3.23Å; D995-R1726 IonicContact OD1-CZ 2.73Å; D995-R1726 IonicContact OD1-NE 3.74Å; D995-R1726 IonicContact OD1-NH2 2.71Å; D995-R1726 PolarHBondContact OD1-NH2 3.14Å; D995-R1726 IonicContact OD2-CZ 2.71Å; D995-R1726 VanDerWaalsContact OD2-CZ 3.24Å; D995-R1726 IonicContact OD2-NE 2.78Å; D995-R1726 PolarHBondContact OD2-NE 2.85Å; D995-R1726 IonicContact OD2-NH2 2.75Å; D995-R1726 PolarHBondContact OD2-NH2 3.33Å |
| 996 | L | 52.6 | Low | 53.6 | Low | 65 Ų | 65 | 77.7 Ų | 77.7 | 34% | 0.34 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.8 | -40.3 | 175.3 | -164.9 | 68.9 | 0 | 0 | 0 | 110.9 | L980 V983 V993 I994 T999 V1000 | L980-L996 HydrophobicContact CD2-CD1 3.86Å; L980-L996 HydrophobicContact CD2-CD2 3.78Å; L980-L996 HydrophobicContact CD2-CG 3.82Å; V983-L996 HydrophobicContact CG1-CD1 4.38Å; V993-L996 WeakPolarHBondContact O-CB 3.34Å; V993-L996 PolarHBondContact O-N 2.98Å; I994-L996 VanDerWaalsContact C-N 3.28Å; I994-L996 PolarHBondContact O-N 3.39Å; L996-T999 PolarHBondContact O-N 3.45Å; L996-V1000 WeakPolarHBondContact O-CB 3.32Å; L996-V1000 VanDerWaalsContact O-CG2 3.23Å; L996-V1000 WeakPolarHBondContact O-CG2 3.46Å; L996-V1000 PolarHBondContact O-N 3.09Å |
| 997 | V | 61.9 | Low | 54.8 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 174 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | V993 I994 V1000 T1001 | V993-V997 HydrophobicContact CG1-CG2 4Å; V993-V997 WeakPolarHBondContact O-CB 3.43Å; V993-V997 VanDerWaalsContact O-CG2 3.31Å; V993-V997 WeakPolarHBondContact O-CG2 3.3Å; V993-V997 PolarHBondContact O-N 2.93Å; I994-V997 CarbonylContact O-C 3.58Å; I994-V997 PolarHBondContact O-N 3.43Å; V997-V1000 PolarHBondContact O-N 2.85Å; V997-T1001 HydrophobicContact CG1-CG2 4.27Å; V997-T1001 VanDerWaalsContact O-CB 3.29Å; V997-T1001 WeakPolarHBondContact O-CB 3.49Å; V997-T1001 WeakPolarHBondContact O-CG2 3.47Å; V997-T1001 PolarHBondContact O-N 3.47Å; V997-T1001 PolarHBondContact O-OG1 3.42Å |
| 998 | D | 66.7 | Low | 56.5 | Low | 75 Ų | 75 | 76 Ų | 76 | 40% | 0.401 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 176.8 | -74.1 | -10.1 | 0 | 0 | 0 | 111.1 | I994 T1001 S1002 | I994-D998 WeakPolarHBondContact O-CB 3.47Å; I994-D998 VanDerWaalsContact O-CG 3.26Å; I994-D998 PolarHBondContact O-N 3.25Å; D998-T1001 VanDerWaalsContact CA-OG1 3.31Å; D998-T1001 WeakPolarHBondContact CA-OG1 3.39Å; D998-T1001 PolarHBondContact O-OG1 3.23Å; D998-S1002 WeakPolarHBondContact O-CB 3.29Å; D998-S1002 PolarHBondContact O-N 3.46Å; D998-S1002 PolarHBondContact O-OG 2.89Å |
| 999 | T | 63 | Low | 58.2 | Low | 79 Ų | 79 | 77 Ų | 77 | 49% | 0.485 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 171.9 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | D995 L996 S1002 E1003 | D995-T999 WeakPolarHBondContact O-CB 3.24Å; D995-T999 PolarHBondContact O-N 2.87Å; D995-T999 PolarHBondContact O-OG1 3.23Å; L996-T999 PolarHBondContact O-N 3.45Å; T999-S1002 PolarHBondContact O-N 2.84Å; T999-E1003 PolarHBondContact O-N 2.83Å |
| 1000 | V | 52.7 | Low | 59.9 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.2 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | L980 L996 V997 L1004 | L980-V1000 HydrophobicContact CD2-CG2 4.09Å; L996-V1000 WeakPolarHBondContact O-CB 3.32Å; L996-V1000 VanDerWaalsContact O-CG2 3.23Å; L996-V1000 WeakPolarHBondContact O-CG2 3.46Å; L996-V1000 PolarHBondContact O-N 3.09Å; V997-V1000 PolarHBondContact O-N 2.85Å; V1000-L1004 WeakPolarHBondContact O-CB 3.47Å; V1000-L1004 PolarHBondContact O-N 3.19Å |
| 1001 | T | 67 | Low | 61.3 | Low | 59 Ų | 59 | 73.7 Ų | 73.7 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.3 | -30.5 | 175 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | V997 D998 L1004 V1005 | V997-T1001 HydrophobicContact CG1-CG2 4.27Å; V997-T1001 VanDerWaalsContact O-CB 3.29Å; V997-T1001 WeakPolarHBondContact O-CB 3.49Å; V997-T1001 WeakPolarHBondContact O-CG2 3.47Å; V997-T1001 PolarHBondContact O-N 3.47Å; V997-T1001 PolarHBondContact O-OG1 3.42Å; D998-T1001 VanDerWaalsContact CA-OG1 3.31Å; D998-T1001 WeakPolarHBondContact CA-OG1 3.39Å; D998-T1001 PolarHBondContact O-OG1 3.23Å; T1001-L1004 PolarHBondContact O-N 3.47Å; T1001-V1005 VanDerWaalsContact O-CB 3.31Å; T1001-V1005 WeakPolarHBondContact O-CB 3.37Å; T1001-V1005 WeakPolarHBondContact O-CG2 3.45Å; T1001-V1005 PolarHBondContact O-N 3.38Å |
| 1002 | S | 68.1 | Low | 63 | Low | 68 Ų | 68 | 76 Ų | 76 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 169.7 | -62 | 0 | 0 | 0 | 0 | 111.4 | D998 T999 L1004 V1005 E1006 | D998-S1002 WeakPolarHBondContact O-CB 3.29Å; D998-S1002 PolarHBondContact O-N 3.46Å; D998-S1002 PolarHBondContact O-OG 2.89Å; T999-S1002 PolarHBondContact O-N 2.84Å; S1002-L1004 VanDerWaalsContact C-N 3.29Å; S1002-L1004 PolarHBondContact O-N 2.85Å; S1002-V1005 PolarHBondContact O-N 3.28Å; S1002-E1006 PolarHBondContact O-N 2.82Å |
| 1003 | E | 59.9 | Low | 64.3 | Low | 57 Ų | 57 | 78.2 Ų | 78.2 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 173.4 | -70.5 | -165.9 | 165.1 | 0 | 0 | 111.8 | R979 T999 S1007 | R979-E1003 IonicContact CZ-OE1 2.84Å; R979-E1003 IonicContact NH1-OE1 2.86Å; R979-E1003 PolarHBondContact NH1-OE1 2.8Å; R979-E1003 IonicContact NH1-OE2 3.51Å; T999-E1003 PolarHBondContact O-N 2.83Å; E1003-S1007 VanDerWaalsContact O-CB 3.24Å; E1003-S1007 WeakPolarHBondContact O-CB 3.48Å; E1003-S1007 PolarHBondContact O-N 2.69Å |
| 1004 | L | 62.7 | Low | 65.6 | Low | 101 Ų | 101 | 77.3 Ų | 77.3 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.5 | -34.4 | 174.6 | -166.2 | 75 | 0 | 0 | 0 | 112.3 | V1000 T1001 S1002 R1008 | V1000-L1004 WeakPolarHBondContact O-CB 3.47Å; V1000-L1004 PolarHBondContact O-N 3.19Å; T1001-L1004 PolarHBondContact O-N 3.47Å; S1002-L1004 VanDerWaalsContact C-N 3.29Å; S1002-L1004 PolarHBondContact O-N 2.85Å; L1004-R1008 WeakPolarHBondContact O-CB 3.47Å; L1004-R1008 PolarHBondContact O-N 3.3Å |
| 1005 | V | 70.7 | Confident | 66.2 | Low | 76 Ų | 76 | 78 Ų | 78 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.2 | -44.7 | 173.5 | 166 | 0 | 0 | 0 | 0 | 110.2 | T1001 S1002 S1007 R1008 D1009 | T1001-V1005 VanDerWaalsContact O-CB 3.31Å; T1001-V1005 WeakPolarHBondContact O-CB 3.37Å; T1001-V1005 WeakPolarHBondContact O-CG2 3.45Å; T1001-V1005 PolarHBondContact O-N 3.38Å; S1002-V1005 PolarHBondContact O-N 3.28Å; V1005-S1007 VanDerWaalsContact C-N 3.31Å; V1005-S1007 PolarHBondContact O-N 2.99Å; V1005-R1008 CarbonylContact O-C 3.58Å; V1005-R1008 WeakPolarHBondContact O-CB 3.25Å; V1005-R1008 PolarHBondContact O-N 3.05Å; V1005-R1008 VanDerWaalsContact O-N 3.11Å; V1005-D1009 WeakPolarHBondContact O-CB 3.23Å; V1005-D1009 PolarHBondContact O-N 2.85Å |
| 1006 | E | 69.2 | Low | 67.1 | Low | 135 Ų | 135 | 81.1 Ų | 81.1 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 172.3 | -73.2 | -172.6 | 171 | 0 | 0 | 111.8 | S1002 D1009 S1010 | S1002-E1006 PolarHBondContact O-N 2.82Å; E1006-D1009 PolarHBondContact O-N 3.17Å; E1006-S1010 VanDerWaalsContact O-CB 3.28Å; E1006-S1010 WeakPolarHBondContact O-CB 3.34Å; E1006-S1010 PolarHBondContact O-N 3.29Å; E1006-S1010 PolarHBondContact O-OG 2.95Å |
| 1007 | S | 63.4 | Low | 68.2 | Low | 31 Ų | 31 | 82 Ų | 82 | 22% | 0.217 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 173 | -173.4 | 0 | 0 | 0 | 0 | 112 | E1003 V1005 S1010 I1011 | E1003-S1007 VanDerWaalsContact O-CB 3.24Å; E1003-S1007 WeakPolarHBondContact O-CB 3.48Å; E1003-S1007 PolarHBondContact O-N 2.69Å; V1005-S1007 VanDerWaalsContact C-N 3.31Å; V1005-S1007 PolarHBondContact O-N 2.99Å; S1007-S1010 PolarHBondContact O-N 2.82Å; S1007-I1011 WeakPolarHBondContact O-CB 3.2Å; S1007-I1011 WeakPolarHBondContact O-CD1 3.03Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.42Å; S1007-I1011 PolarHBondContact O-N 3.45Å |
| 1008 | R | 71.2 | Confident | 68.6 | Low | 171 Ų | 171 | 83.2 Ų | 83.2 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69.3 | -39 | 175.3 | 177.1 | -178.7 | 174.6 | 168.7 | -0.1 | 111.7 | L1004 V1005 S1010 I1011 T1012 | L1004-R1008 WeakPolarHBondContact O-CB 3.47Å; L1004-R1008 PolarHBondContact O-N 3.3Å; V1005-R1008 CarbonylContact O-C 3.58Å; V1005-R1008 WeakPolarHBondContact O-CB 3.25Å; V1005-R1008 PolarHBondContact O-N 3.05Å; V1005-R1008 VanDerWaalsContact O-N 3.11Å; R1008-S1010 VanDerWaalsContact C-N 3.34Å; R1008-I1011 PolarHBondContact O-N 3.41Å; R1008-T1012 WeakPolarHBondContact O-CB 3.42Å; R1008-T1012 WeakPolarHBondContact O-CG2 3.32Å; R1008-T1012 PolarHBondContact O-N 3.36Å; R1008-T1012 PolarHBondContact O-OG1 2.89Å |
| 1009 | D | 70.3 | Confident | 68.8 | Low | 94 Ų | 94 | 82.8 Ų | 82.8 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 175.7 | -75 | -3.2 | 0 | 0 | 0 | 110.5 | V1005 E1006 T1012 N1013 | V1005-D1009 WeakPolarHBondContact O-CB 3.23Å; V1005-D1009 PolarHBondContact O-N 2.85Å; E1006-D1009 PolarHBondContact O-N 3.17Å; D1009-T1012 WeakPolarHBondContact CA-OG1 3.41Å; D1009-T1012 PolarHBondContact O-OG1 2.94Å; D1009-N1013 WeakPolarHBondContact O-CB 3.16Å; D1009-N1013 PolarHBondContact O-N 3.37Å |
| 1010 | S | 70.7 | Confident | 69.2 | Low | 67 Ų | 67 | 83.9 Ų | 83.9 | 47% | 0.469 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 170.3 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | E1006 S1007 R1008 N1013 L1014 | E1006-S1010 VanDerWaalsContact O-CB 3.28Å; E1006-S1010 WeakPolarHBondContact O-CB 3.34Å; E1006-S1010 PolarHBondContact O-N 3.29Å; E1006-S1010 PolarHBondContact O-OG 2.95Å; S1007-S1010 PolarHBondContact O-N 2.82Å; R1008-S1010 VanDerWaalsContact C-N 3.34Å; S1010-N1013 PolarHBondContact O-N 3.49Å; S1010-L1014 WeakPolarHBondContact O-CB 3.49Å; S1010-L1014 WeakPolarHBondContact O-CG 3.25Å; S1010-L1014 PolarHBondContact O-N 3.28Å |
| 1011 | I | 68.3 | Low | 69.8 | Low | 83 Ų | 83 | 87.1 Ų | 87.1 | 43% | 0.426 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 175.7 | -72.3 | 163.7 | 0 | 0 | 0 | 111.3 | S1007 R1008 L1014 N1015 | S1007-I1011 WeakPolarHBondContact O-CB 3.2Å; S1007-I1011 WeakPolarHBondContact O-CD1 3.03Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.42Å; S1007-I1011 PolarHBondContact O-N 3.45Å; R1008-I1011 PolarHBondContact O-N 3.41Å; I1011-L1014 PolarHBondContact O-N 3.09Å; I1011-N1015 WeakPolarHBondContact O-CB 3.27Å; I1011-N1015 PolarHBondContact O-N 3.12Å |
| 1012 | T | 74.1 | Confident | 69.9 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | R1008 D1009 N1015 D1016 | R1008-T1012 WeakPolarHBondContact O-CB 3.42Å; R1008-T1012 WeakPolarHBondContact O-CG2 3.32Å; R1008-T1012 PolarHBondContact O-N 3.36Å; R1008-T1012 PolarHBondContact O-OG1 2.89Å; D1009-T1012 WeakPolarHBondContact CA-OG1 3.41Å; D1009-T1012 PolarHBondContact O-OG1 2.94Å; T1012-N1015 PolarHBondContact O-N 3.42Å; T1012-D1016 WeakPolarHBondContact O-CB 3.49Å; T1012-D1016 PolarHBondContact O-N 2.93Å |
| 1013 | N | 76.9 | Confident | 70.1 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 170.2 | -175.2 | 4.3 | 0 | 0 | 0 | 111.9 | D1009 S1010 D1016 Q1017 | D1009-N1013 WeakPolarHBondContact O-CB 3.16Å; D1009-N1013 PolarHBondContact O-N 3.37Å; S1010-N1013 PolarHBondContact O-N 3.49Å; N1013-D1016 PolarHBondContact O-N 3.25Å; N1013-Q1017 WeakPolarHBondContact O-CB 3.23Å; N1013-Q1017 WeakPolarHBondContact O-CG 3.25Å; N1013-Q1017 PolarHBondContact O-N 2.88Å; N1013-Q1017 PolarHBondContact OD1-NE2 3.49Å |
| 1014 | L | 72.1 | Confident | 70.2 | Confident | 92 Ų | 92 | 95.2 Ų | 95.2 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 172.7 | -78.2 | 167.9 | 0 | 0 | 0 | 112.4 | S1010 I1011 D1016 Q1017 L1018 | S1010-L1014 WeakPolarHBondContact O-CB 3.49Å; S1010-L1014 WeakPolarHBondContact O-CG 3.25Å; S1010-L1014 PolarHBondContact O-N 3.28Å; I1011-L1014 PolarHBondContact O-N 3.09Å; L1014-D1016 VanDerWaalsContact C-N 3.32Å; L1014-Q1017 PolarHBondContact O-N 3.08Å; L1014-L1018 WeakPolarHBondContact O-CB 3.42Å; L1014-L1018 WeakPolarHBondContact O-CG 3.29Å; L1014-L1018 PolarHBondContact O-N 2.9Å |
| 1015 | N | 73.3 | Confident | 70 | Confident | 94 Ų | 94 | 96 Ų | 96 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 172.3 | -102.1 | -17.3 | 0 | 0 | 0 | 111.9 | I1011 T1012 L1018 C1019 | I1011-N1015 WeakPolarHBondContact O-CB 3.27Å; I1011-N1015 PolarHBondContact O-N 3.12Å; T1012-N1015 PolarHBondContact O-N 3.42Å; N1015-L1018 PolarHBondContact O-N 3.5Å; N1015-C1019 WeakPolarHBondContact O-CB 3.2Å; N1015-C1019 PolarHBondContact O-N 3.37Å; N1015-C1019 PolarHBondContact O-SG 3.42Å |
| 1016 | D | 73.8 | Confident | 69.5 | Low | 85 Ų | 85 | 96.9 Ų | 96.9 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 176.6 | -142.9 | 58.3 | 0 | 0 | 0 | 111.2 | T1012 N1013 L1014 K1020 | T1012-D1016 WeakPolarHBondContact O-CB 3.49Å; T1012-D1016 PolarHBondContact O-N 2.93Å; N1013-D1016 PolarHBondContact O-N 3.25Å; L1014-D1016 VanDerWaalsContact C-N 3.32Å; D1016-K1020 WeakPolarHBondContact O-CB 3.25Å; D1016-K1020 WeakPolarHBondContact O-CD 3.37Å; D1016-K1020 WeakPolarHBondContact O-CG 3.32Å; D1016-K1020 PolarHBondContact O-N 2.91Å; D1016-K1020 IonicContact OD2-NZ 3.09Å; D1016-K1020 PolarHBondContact OD2-NZ 2.8Å |
| 1017 | Q | 75.6 | Confident | 68.9 | Low | 85 Ų | 85 | 95.4 Ų | 95.4 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 170.2 | -74.2 | 176.3 | 45.9 | 0 | 0 | 112 | N1013 L1014 K1020 M1021 | N1013-Q1017 WeakPolarHBondContact O-CB 3.23Å; N1013-Q1017 WeakPolarHBondContact O-CG 3.25Å; N1013-Q1017 PolarHBondContact O-N 2.88Å; N1013-Q1017 PolarHBondContact OD1-NE2 3.49Å; L1014-Q1017 PolarHBondContact O-N 3.08Å; Q1017-K1020 PolarHBondContact O-N 2.87Å; Q1017-M1021 WeakPolarHBondContact O-CB 3.41Å; Q1017-M1021 WeakPolarHBondContact O-CG 3.35Å; Q1017-M1021 PolarHBondContact O-N 3.01Å |
| 1018 | L | 71.1 | Confident | 68.5 | Low | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 172.8 | -78.1 | 169.9 | 0 | 0 | 0 | 111.3 | L1014 N1015 K1020 M1021 E1022 | L1014-L1018 WeakPolarHBondContact O-CB 3.42Å; L1014-L1018 WeakPolarHBondContact O-CG 3.29Å; L1014-L1018 PolarHBondContact O-N 2.9Å; N1015-L1018 PolarHBondContact O-N 3.5Å; L1018-K1020 VanDerWaalsContact C-N 3.32Å; L1018-K1020 PolarHBondContact O-N 3.13Å; L1018-M1021 CarbonylContact O-C 3.53Å; L1018-M1021 PolarHBondContact O-N 2.68Å; L1018-E1022 VanDerWaalsContact O-CB 3.28Å; L1018-E1022 WeakPolarHBondContact O-CB 3.32Å; L1018-E1022 PolarHBondContact O-N 3.16Å |
| 1019 | C | 70 | Confident | 67.5 | Low | 66 Ų | 66 | 95.6 Ų | 95.6 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 173 | -76.1 | 0 | 0 | 0 | 0 | 112.1 | N1015 K1023 | N1015-C1019 WeakPolarHBondContact O-CB 3.2Å; N1015-C1019 PolarHBondContact O-N 3.37Å; N1015-C1019 PolarHBondContact O-SG 3.42Å; C1019-K1023 VanDerWaalsContact O-CB 3.26Å; C1019-K1023 WeakPolarHBondContact O-CB 3.31Å; C1019-K1023 PolarHBondContact O-N 3.45Å |
| 1020 | K | 72 | Confident | 67.1 | Low | 101 Ų | 101 | 93.7 Ų | 93.7 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 173.3 | -77.7 | 162 | -179.6 | 140.5 | 0 | 111.9 | D1016 Q1017 L1018 K1023 Y1024 | D1016-K1020 WeakPolarHBondContact O-CB 3.25Å; D1016-K1020 WeakPolarHBondContact O-CD 3.37Å; D1016-K1020 WeakPolarHBondContact O-CG 3.32Å; D1016-K1020 PolarHBondContact O-N 2.91Å; D1016-K1020 IonicContact OD2-NZ 3.09Å; D1016-K1020 PolarHBondContact OD2-NZ 2.8Å; Q1017-K1020 PolarHBondContact O-N 2.87Å; L1018-K1020 VanDerWaalsContact C-N 3.32Å; L1018-K1020 PolarHBondContact O-N 3.13Å; K1020-K1023 WeakPolarHBondContact O-CB 3.48Å; K1020-K1023 PolarHBondContact O-N 3.44Å; K1020-Y1024 HydrophobicContact CB-CE2 4.24Å; K1020-Y1024 WeakPolarHBondContact O-CD2 3.48Å; K1020-Y1024 VanDerWaalsContact O-CG 3.3Å; K1020-Y1024 PolarHBondContact O-N 3.36Å |
| 1021 | M | 66.2 | Low | 66.8 | Low | 109 Ų | 109 | 97 Ų | 97 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 174.8 | -77.9 | 178.7 | 58.2 | 0 | 0 | 112 | Q1017 L1018 K1023 Y1024 L1025 | Q1017-M1021 WeakPolarHBondContact O-CB 3.41Å; Q1017-M1021 WeakPolarHBondContact O-CG 3.35Å; Q1017-M1021 PolarHBondContact O-N 3.01Å; L1018-M1021 CarbonylContact O-C 3.53Å; L1018-M1021 PolarHBondContact O-N 2.68Å; M1021-K1023 PolarHBondContact O-N 2.81Å; M1021-Y1024 CarbonylContact O-C 3.6Å; M1021-Y1024 PolarHBondContact O-N 2.77Å; M1021-Y1024 VanDerWaalsContact O-N 3.15Å; M1021-L1025 WeakPolarHBondContact O-CB 3.42Å; M1021-L1025 VanDerWaalsContact O-CG 3.24Å; M1021-L1025 WeakPolarHBondContact O-CG 3.48Å; M1021-L1025 PolarHBondContact O-N 2.77Å |
| 1022 | E | 68.9 | Low | 66.9 | Low | 86 Ų | 86 | 101.3 Ų | 101.3 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 174.8 | -169.2 | 173 | -156.8 | 0 | 0 | 110.4 | L1018 S1026 | L1018-E1022 VanDerWaalsContact O-CB 3.28Å; L1018-E1022 WeakPolarHBondContact O-CB 3.32Å; L1018-E1022 PolarHBondContact O-N 3.16Å; E1022-S1026 WeakPolarHBondContact O-CB 3.49Å; E1022-S1026 PolarHBondContact O-N 2.65Å; E1022-S1026 VanDerWaalsContact O-N 3.1Å; E1022-S1026 PolarHBondContact O-OG 2.73Å |
| 1023 | K | 72.4 | Confident | 66.6 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 170.5 | -169.4 | -179.1 | 176.7 | -167.8 | 0 | 113 | C1019 K1020 M1021 L1025 S1026 E1027 | C1019-K1023 VanDerWaalsContact O-CB 3.26Å; C1019-K1023 WeakPolarHBondContact O-CB 3.31Å; C1019-K1023 PolarHBondContact O-N 3.45Å; K1020-K1023 WeakPolarHBondContact O-CB 3.48Å; K1020-K1023 PolarHBondContact O-N 3.44Å; M1021-K1023 PolarHBondContact O-N 2.81Å; K1023-L1025 PolarHBondContact O-N 3.44Å; K1023-S1026 WeakPolarHBondContact CA-OG 3.43Å; K1023-S1026 PolarHBondContact O-N 2.8Å; K1023-S1026 VanDerWaalsContact O-N 3.09Å; K1023-S1026 PolarHBondContact O-OG 2.79Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.39Å; K1023-E1027 WeakPolarHBondContact CE-OE2 3.19Å; K1023-E1027 IonicContact NZ-OE1 2.85Å; K1023-E1027 PolarHBondContact NZ-OE1 2.76Å; K1023-E1027 VanDerWaalsContact NZ-OE1 3.08Å; K1023-E1027 IonicContact NZ-OE2 3.63Å; K1023-E1027 PolarHBondContact O-N 3.47Å |
| 1024 | Y | 62.3 | Low | 65.9 | Low | 156 Ų | 156 | 104.7 Ų | 104.7 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.9 | -22.3 | 177.1 | -68.6 | -48.9 | 0 | 0 | 0 | 113.5 | K1020 M1021 V1029 | K1020-Y1024 HydrophobicContact CB-CE2 4.24Å; K1020-Y1024 WeakPolarHBondContact O-CD2 3.48Å; K1020-Y1024 VanDerWaalsContact O-CG 3.3Å; K1020-Y1024 PolarHBondContact O-N 3.36Å; M1021-Y1024 CarbonylContact O-C 3.6Å; M1021-Y1024 PolarHBondContact O-N 2.77Å; M1021-Y1024 VanDerWaalsContact O-N 3.15Å; Y1024-V1029 WeakPolarHBondContact O-CG2 3.33Å |
| 1025 | L | 58.8 | Low | 66 | Low | 118 Ų | 118 | 105.1 Ų | 105.1 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -85.8 | -16.9 | 173.2 | -70.7 | 167.9 | 0 | 0 | 0 | 113 | M1021 K1023 | M1021-L1025 WeakPolarHBondContact O-CB 3.42Å; M1021-L1025 VanDerWaalsContact O-CG 3.24Å; M1021-L1025 WeakPolarHBondContact O-CG 3.48Å; M1021-L1025 PolarHBondContact O-N 2.77Å; K1023-L1025 PolarHBondContact O-N 3.44Å |
| 1026 | S | 59 | Low | 66.1 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -102.8 | -21.6 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 114.2 | E1022 K1023 | E1022-S1026 WeakPolarHBondContact O-CB 3.49Å; E1022-S1026 PolarHBondContact O-N 2.65Å; E1022-S1026 VanDerWaalsContact O-N 3.1Å; E1022-S1026 PolarHBondContact O-OG 2.73Å; K1023-S1026 WeakPolarHBondContact CA-OG 3.43Å; K1023-S1026 PolarHBondContact O-N 2.8Å; K1023-S1026 VanDerWaalsContact O-N 3.09Å; K1023-S1026 PolarHBondContact O-OG 2.79Å |
| 1027 | E | 56.8 | Low | 65.9 | Low | 104 Ų | 104 | 104.6 Ų | 104.6 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -84.7 | 131.8 | 162.7 | -70.2 | 177.5 | 171.2 | 0 | 0 | 109.7 | K1023 V1029 | K1023-E1027 WeakPolarHBondContact CE-OE1 3.39Å; K1023-E1027 WeakPolarHBondContact CE-OE2 3.19Å; K1023-E1027 IonicContact NZ-OE1 2.85Å; K1023-E1027 PolarHBondContact NZ-OE1 2.76Å; K1023-E1027 VanDerWaalsContact NZ-OE1 3.08Å; K1023-E1027 IonicContact NZ-OE2 3.63Å; K1023-E1027 PolarHBondContact O-N 3.47Å; E1027-V1029 PolarHBondContact O-N 3.45Å |
| 1028 | S | 54.5 | Low | 65.9 | Low | 128 Ų | 128 | 105.9 Ų | 105.9 | 90% | 0.895 | 54% | 0.54 | S | S | * | . | trans | -70.7 | 97 | -165.8 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1029 | V | 49.8 | Very low | 66.3 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | trans | -64.4 | 145.5 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 111 | Y1024 E1027 D1033 Y1034 | Y1024-V1029 WeakPolarHBondContact O-CG2 3.33Å; E1027-V1029 PolarHBondContact O-N 3.45Å; V1029-D1033 HydrophobicContact CG1-CB 4.02Å; V1029-Y1034 HydrophobicContact CG1-CD2 4.14Å | ||
| 1030 | S | 62.8 | Low | 66.8 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 39% | 0.385 | 55% | 0.55 | S | S | . | . | trans | -74.5 | 146 | 178.5 | 91.6 | 0 | 0 | 0 | 0 | 111.7 | Y1032 D1033 Y1034 | S1030-Y1032 PolarHBondContact O-N 3.32Å; S1030-Y1032 VanDerWaalsContact O-N 3.14Å; S1030-Y1032 PolarHBondContact OG-N 3.47Å; S1030-D1033 WeakPolarHBondContact CB-OD2 3.21Å; S1030-D1033 PolarHBondContact O-N 2.88Å; S1030-D1033 PolarHBondContact OG-N 2.88Å; S1030-D1033 PolarHBondContact OG-OD2 3.34Å; S1030-Y1034 PolarHBondContact O-N 2.87Å | ||
| 1031 | L | 63.7 | Low | 66.9 | Low | 136 Ų | 136 | 110.9 Ų | 110.9 | 71% | 0.712 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -56.9 | -30 | 175.7 | -165.3 | 84.8 | 0 | 0 | 0 | 112.1 | Q1035 | L1031-Q1035 WeakPolarHBondContact O-CG 3.37Å; L1031-Q1035 PolarHBondContact O-N 2.8Å |
| 1032 | Y | 70 | Confident | 67.7 | Low | 174 Ų | 174 | 109.6 Ų | 109.6 | 68% | 0.682 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.6 | -42.4 | -179.7 | -176.1 | -91.3 | 0 | 0 | 0 | 112.1 | S1030 Y1034 Q1035 S1036 | S1030-Y1032 PolarHBondContact O-N 3.32Å; S1030-Y1032 VanDerWaalsContact O-N 3.14Å; S1030-Y1032 PolarHBondContact OG-N 3.47Å; Y1032-Y1034 VanDerWaalsContact C-N 3.31Å; Y1032-Y1034 PolarHBondContact O-N 3.27Å; Y1032-Q1035 PolarHBondContact O-N 3.27Å; Y1032-S1036 WeakPolarHBondContact O-CB 3.45Å; Y1032-S1036 PolarHBondContact O-N 2.75Å |
| 1033 | D | 68.9 | Low | 68.3 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.1 | -38.1 | 177.8 | -55.4 | -51.6 | 0 | 0 | 0 | 110.7 | V1029 S1030 S1036 L1037 | V1029-D1033 HydrophobicContact CG1-CB 4.02Å; S1030-D1033 WeakPolarHBondContact CB-OD2 3.21Å; S1030-D1033 PolarHBondContact O-N 2.88Å; S1030-D1033 PolarHBondContact OG-N 2.88Å; S1030-D1033 PolarHBondContact OG-OD2 3.34Å; D1033-S1036 PolarHBondContact O-N 2.75Å; D1033-L1037 WeakPolarHBondContact O-CB 3.46Å; D1033-L1037 PolarHBondContact O-N 2.82Å |
| 1034 | Y | 62.6 | Low | 68.6 | Low | 139 Ų | 139 | 108.9 Ų | 108.9 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -45.7 | 173.7 | -118.6 | -81 | 0 | 0 | 0 | 112.3 | V1029 S1030 Y1032 S1036 L1037 E1038 | V1029-Y1034 HydrophobicContact CG1-CD2 4.14Å; S1030-Y1034 PolarHBondContact O-N 2.87Å; Y1032-Y1034 VanDerWaalsContact C-N 3.31Å; Y1032-Y1034 PolarHBondContact O-N 3.27Å; Y1034-S1036 VanDerWaalsContact C-N 3.35Å; Y1034-L1037 PolarHBondContact O-N 3.38Å; Y1034-E1038 WeakPolarHBondContact O-CB 3.47Å; Y1034-E1038 PolarHBondContact O-N 2.64Å |
| 1035 | Q | 73.9 | Confident | 69.6 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -34.3 | 176.2 | -75.5 | -177.8 | -24 | 0 | 0 | 112.7 | L1031 Y1032 N1039 | L1031-Q1035 WeakPolarHBondContact O-CG 3.37Å; L1031-Q1035 PolarHBondContact O-N 2.8Å; Y1032-Q1035 PolarHBondContact O-N 3.27Å; Q1035-N1039 WeakPolarHBondContact O-CB 3.31Å; Q1035-N1039 VanDerWaalsContact O-CG 3.22Å; Q1035-N1039 PolarHBondContact O-N 3.27Å; Q1035-N1039 PolarHBondContact O-ND2 3.49Å |
| 1036 | S | 74.5 | Confident | 70.7 | Confident | 57 Ų | 57 | 108.7 Ų | 108.7 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.2 | -43.8 | 174 | -164 | 0 | 0 | 0 | 0 | 111.2 | Y1032 D1033 Y1034 N1039 E1040 | Y1032-S1036 WeakPolarHBondContact O-CB 3.45Å; Y1032-S1036 PolarHBondContact O-N 2.75Å; D1033-S1036 PolarHBondContact O-N 2.75Å; Y1034-S1036 VanDerWaalsContact C-N 3.35Å; S1036-N1039 PolarHBondContact O-N 3.07Å; S1036-E1040 PolarHBondContact O-N 3.27Å |
| 1037 | L | 70.4 | Confident | 71.7 | Confident | 111 Ų | 111 | 109.6 Ų | 109.6 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.4 | -35.6 | 178.2 | -157.1 | 77.2 | 0 | 0 | 0 | 112.3 | D1033 Y1034 E1040 M1041 | D1033-L1037 WeakPolarHBondContact O-CB 3.46Å; D1033-L1037 PolarHBondContact O-N 2.82Å; Y1034-L1037 PolarHBondContact O-N 3.38Å; L1037-E1040 PolarHBondContact O-N 2.72Å; L1037-M1041 WeakPolarHBondContact O-CB 3.32Å; L1037-M1041 PolarHBondContact O-N 3Å |
| 1038 | E | 75.9 | Confident | 72.8 | Confident | 112 Ų | 112 | 109.7 Ų | 109.7 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 173.1 | -176 | 172.1 | -152.5 | 0 | 0 | 111.5 | Y1034 M1041 N1042 | Y1034-E1038 WeakPolarHBondContact O-CB 3.47Å; Y1034-E1038 PolarHBondContact O-N 2.64Å; E1038-M1041 PolarHBondContact O-N 2.87Å; E1038-N1042 WeakPolarHBondContact O-CB 3.29Å; E1038-N1042 VanDerWaalsContact O-CG 3.28Å; E1038-N1042 PolarHBondContact O-N 3.09Å; E1038-N1042 PolarHBondContact O-ND2 3.43Å; E1038-N1042 VanDerWaalsContact O-ND2 3.1Å |
| 1039 | N | 79.5 | Confident | 74.2 | Confident | 107 Ų | 107 | 109.8 Ų | 109.8 | 57% | 0.572 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | 174.9 | -72.7 | -36.5 | 0 | 0 | 0 | 112.5 | Q1035 S1036 N1042 S1043 | Q1035-N1039 WeakPolarHBondContact O-CB 3.31Å; Q1035-N1039 VanDerWaalsContact O-CG 3.22Å; Q1035-N1039 PolarHBondContact O-N 3.27Å; Q1035-N1039 PolarHBondContact O-ND2 3.49Å; S1036-N1039 PolarHBondContact O-N 3.07Å; N1039-N1042 PolarHBondContact O-N 3.06Å; N1039-S1043 PolarHBondContact O-N 2.87Å |
| 1040 | E | 79.4 | Confident | 75.7 | Confident | 128 Ų | 128 | 111.5 Ų | 111.5 | 60% | 0.598 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 172.6 | -77.2 | -171.1 | 156 | 0 | 0 | 111.7 | S1036 L1037 N1042 S1043 L1044 | S1036-E1040 PolarHBondContact O-N 3.27Å; L1037-E1040 PolarHBondContact O-N 2.72Å; E1040-N1042 PolarHBondContact O-N 3.07Å; E1040-S1043 WeakPolarHBondContact O-CB 3.33Å; E1040-S1043 PolarHBondContact O-N 2.9Å; E1040-L1044 WeakPolarHBondContact O-CB 3.23Å; E1040-L1044 PolarHBondContact O-N 3.29Å |
| 1041 | M | 75.5 | Confident | 76.3 | Confident | 136 Ų | 136 | 112.5 Ų | 112.5 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68 | -34.7 | 178.1 | -173.6 | 148 | 66.1 | 0 | 0 | 112.7 | L1037 E1038 L1044 K1045 | L1037-M1041 WeakPolarHBondContact O-CB 3.32Å; L1037-M1041 PolarHBondContact O-N 3Å; E1038-M1041 PolarHBondContact O-N 2.87Å; M1041-L1044 PolarHBondContact O-N 3.48Å; M1041-K1045 VanDerWaalsContact O-CB 3.25Å; M1041-K1045 WeakPolarHBondContact O-CB 3.38Å; M1041-K1045 PolarHBondContact O-N 2.69Å |
| 1042 | N | 81.4 | Confident | 77 | Confident | 81 Ų | 81 | 110 Ų | 110 | 43% | 0.433 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 171.1 | -74.9 | -36.5 | 0 | 0 | 0 | 111.3 | E1038 N1039 E1040 L1044 K1045 E1046 | E1038-N1042 WeakPolarHBondContact O-CB 3.29Å; E1038-N1042 VanDerWaalsContact O-CG 3.28Å; E1038-N1042 PolarHBondContact O-N 3.09Å; E1038-N1042 PolarHBondContact O-ND2 3.43Å; E1038-N1042 VanDerWaalsContact O-ND2 3.1Å; N1039-N1042 PolarHBondContact O-N 3.06Å; E1040-N1042 PolarHBondContact O-N 3.07Å; N1042-L1044 PolarHBondContact O-N 3.14Å; N1042-K1045 PolarHBondContact O-N 2.84Å; N1042-E1046 PolarHBondContact O-N 3.14Å |
| 1043 | S | 82.3 | Confident | 77.5 | Confident | 64 Ų | 64 | 108.2 Ų | 108.2 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.5 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | N1039 E1040 K1045 E1046 E1047 | N1039-S1043 PolarHBondContact O-N 2.87Å; E1040-S1043 WeakPolarHBondContact O-CB 3.33Å; E1040-S1043 PolarHBondContact O-N 2.9Å; S1043-K1045 VanDerWaalsContact C-N 3.33Å; S1043-K1045 PolarHBondContact O-N 2.85Å; S1043-E1046 PolarHBondContact O-N 3.46Å; S1043-E1047 PolarHBondContact O-N 3.17Å |
| 1044 | L | 78.1 | Confident | 77.9 | Confident | 119 Ų | 119 | 110.2 Ų | 110.2 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -34.2 | 179.4 | -146.4 | 86.2 | 0 | 0 | 0 | 112.3 | E1040 M1041 N1042 E1046 L1048 | E1040-L1044 WeakPolarHBondContact O-CB 3.23Å; E1040-L1044 PolarHBondContact O-N 3.29Å; M1041-L1044 PolarHBondContact O-N 3.48Å; N1042-L1044 PolarHBondContact O-N 3.14Å; L1044-E1046 VanDerWaalsContact C-N 3.35Å; L1044-L1048 WeakPolarHBondContact O-CB 3.33Å; L1044-L1048 PolarHBondContact O-N 3.44Å |
| 1045 | K | 83.8 | Confident | 78.4 | Confident | 133 Ų | 133 | 108.1 Ų | 108.1 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69 | -34.6 | 175.7 | -172 | 178.9 | -177.5 | -178.1 | 0 | 111.9 | M1041 N1042 S1043 H1049 | M1041-K1045 VanDerWaalsContact O-CB 3.25Å; M1041-K1045 WeakPolarHBondContact O-CB 3.38Å; M1041-K1045 PolarHBondContact O-N 2.69Å; N1042-K1045 PolarHBondContact O-N 2.84Å; S1043-K1045 VanDerWaalsContact C-N 3.33Å; S1043-K1045 PolarHBondContact O-N 2.85Å; K1045-H1049 PolarHBondContact O-N 3.29Å |
| 1046 | E | 82.7 | Confident | 78.4 | Confident | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73 | -41.2 | 176 | -150.2 | 160.2 | -144 | 0 | 0 | 111.3 | N1042 S1043 L1044 H1049 Q1050 | N1042-E1046 PolarHBondContact O-N 3.14Å; S1043-E1046 PolarHBondContact O-N 3.46Å; L1044-E1046 VanDerWaalsContact C-N 3.35Å; E1046-H1049 PolarHBondContact O-N 3.33Å; E1046-Q1050 PolarHBondContact O-N 3.08Å |
| 1047 | E | 79.9 | Confident | 78.4 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 168.8 | -74.4 | -170.1 | 167.4 | 0 | 0 | 112.2 | S1043 H1049 Q1050 V1051 | S1043-E1047 PolarHBondContact O-N 3.17Å; E1047-H1049 VanDerWaalsContact C-N 3.3Å; E1047-H1049 PolarHBondContact O-N 3.27Å; E1047-Q1050 PolarHBondContact O-N 3.37Å; E1047-V1051 WeakPolarHBondContact O-CG2 3.11Å; E1047-V1051 PolarHBondContact O-N 2.98Å |
| 1048 | L | 79.6 | Confident | 78.3 | Confident | 105 Ų | 105 | 113.9 Ų | 113.9 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -35.4 | 177.2 | -175.3 | 63.8 | 0 | 0 | 0 | 112.1 | L1044 V1051 L1052 | L1044-L1048 WeakPolarHBondContact O-CB 3.33Å; L1044-L1048 PolarHBondContact O-N 3.44Å; L1048-V1051 PolarHBondContact O-N 3.45Å; L1048-L1052 HydrophobicContact CG-CD1 4.29Å; L1048-L1052 WeakPolarHBondContact O-CB 3.37Å; L1048-L1052 PolarHBondContact O-N 2.88Å |
| 1049 | H | 82.6 | Confident | 78.1 | Confident | 131 Ų | 131 | 115 Ų | 115 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -45.7 | 171.7 | -105.8 | 53.4 | 0 | 0 | 0 | 111.9 | K1045 E1046 E1047 V1051 L1052 E1053 | K1045-H1049 PolarHBondContact O-N 3.29Å; E1046-H1049 PolarHBondContact O-N 3.33Å; E1047-H1049 VanDerWaalsContact C-N 3.3Å; E1047-H1049 PolarHBondContact O-N 3.27Å; H1049-V1051 VanDerWaalsContact C-N 3.3Å; H1049-V1051 PolarHBondContact O-N 3.38Å; H1049-L1052 PolarHBondContact O-N 3.13Å; H1049-E1053 WeakPolarHBondContact O-CB 3.48Å; H1049-E1053 PolarHBondContact O-N 2.73Å |
| 1050 | Q | 82.7 | Confident | 77.8 | Confident | 112 Ų | 112 | 114.3 Ų | 114.3 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -34.4 | 176.4 | -68.3 | 179 | 26.4 | 0 | 0 | 112.9 | E1046 E1047 K1054 | E1046-Q1050 PolarHBondContact O-N 3.08Å; E1047-Q1050 PolarHBondContact O-N 3.37Å; Q1050-K1054 WeakPolarHBondContact O-CG 3.3Å; Q1050-K1054 PolarHBondContact O-N 3.12Å; Q1050-K1054 VanDerWaalsContact O-N 3.12Å |
| 1051 | V | 75.5 | Confident | 77.3 | Confident | 77 Ų | 77 | 113.6 Ų | 113.6 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.2 | -42.3 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | E1047 L1048 H1049 E1053 K1054 I1055 | E1047-V1051 WeakPolarHBondContact O-CG2 3.11Å; E1047-V1051 PolarHBondContact O-N 2.98Å; L1048-V1051 PolarHBondContact O-N 3.45Å; H1049-V1051 VanDerWaalsContact C-N 3.3Å; H1049-V1051 PolarHBondContact O-N 3.38Å; V1051-E1053 VanDerWaalsContact C-N 3.33Å; V1051-E1053 PolarHBondContact O-N 2.93Å; V1051-K1054 PolarHBondContact O-N 2.95Å; V1051-I1055 HydrophobicContact CG1-CD1 3.8Å; V1051-I1055 HydrophobicContact CG1-CG1 4.47Å; V1051-I1055 WeakPolarHBondContact O-CB 3.43Å; V1051-I1055 VanDerWaalsContact O-CG1 3.25Å; V1051-I1055 WeakPolarHBondContact O-CG1 3.26Å; V1051-I1055 PolarHBondContact O-N 2.85Å |
| 1052 | L | 77.2 | Confident | 76.8 | Confident | 82 Ų | 82 | 111.1 Ų | 111.1 | 43% | 0.429 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 173.9 | -85.3 | 163.6 | 0 | 0 | 0 | 112.6 | L1048 H1049 I1055 N1056 | L1048-L1052 HydrophobicContact CG-CD1 4.29Å; L1048-L1052 WeakPolarHBondContact O-CB 3.37Å; L1048-L1052 PolarHBondContact O-N 2.88Å; H1049-L1052 PolarHBondContact O-N 3.13Å; L1052-I1055 PolarHBondContact O-N 2.7Å; L1052-N1056 PolarHBondContact O-N 3.09Å; L1052-N1056 PolarHBondContact O-ND2 2.72Å |
| 1053 | E | 80.3 | Confident | 76.1 | Confident | 137 Ų | 137 | 111.6 Ų | 111.6 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -46.2 | 176.5 | -162 | 170.5 | -139.6 | 0 | 0 | 111.1 | H1049 V1051 I1055 N1056 E1057 | H1049-E1053 WeakPolarHBondContact O-CB 3.48Å; H1049-E1053 PolarHBondContact O-N 2.73Å; V1051-E1053 VanDerWaalsContact C-N 3.33Å; V1051-E1053 PolarHBondContact O-N 2.93Å; E1053-I1055 VanDerWaalsContact C-N 3.34Å; E1053-I1055 PolarHBondContact O-N 2.81Å; E1053-N1056 CarbonylContact O-C 3.55Å; E1053-N1056 WeakPolarHBondContact O-CA 3.43Å; E1053-N1056 WeakPolarHBondContact O-CB 3.43Å; E1053-N1056 PolarHBondContact O-N 3.32Å; E1053-N1056 VanDerWaalsContact O-N 3.08Å; E1053-E1057 PolarHBondContact O-N 2.68Å |
| 1054 | K | 78.1 | Confident | 75.6 | Confident | 131 Ų | 131 | 116.2 Ų | 116.2 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -34.7 | 172.5 | -75.8 | 176.1 | 178.6 | 169.1 | 0 | 114 | Q1050 V1051 N1056 E1057 Y1058 | Q1050-K1054 WeakPolarHBondContact O-CG 3.3Å; Q1050-K1054 PolarHBondContact O-N 3.12Å; Q1050-K1054 VanDerWaalsContact O-N 3.12Å; V1051-K1054 PolarHBondContact O-N 2.95Å; K1054-N1056 VanDerWaalsContact C-N 3.32Å; K1054-E1057 PolarHBondContact O-N 2.87Å; K1054-Y1058 PolarHBondContact O-N 2.98Å |
| 1055 | I | 72.2 | Confident | 74.7 | Confident | 94 Ų | 94 | 112.8 Ų | 112.8 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68 | -35.2 | 173.3 | -72.2 | 167.8 | 0 | 0 | 0 | 110.2 | V1051 L1052 E1053 K1059 | V1051-I1055 HydrophobicContact CG1-CD1 3.8Å; V1051-I1055 HydrophobicContact CG1-CG1 4.47Å; V1051-I1055 WeakPolarHBondContact O-CB 3.43Å; V1051-I1055 VanDerWaalsContact O-CG1 3.25Å; V1051-I1055 WeakPolarHBondContact O-CG1 3.26Å; V1051-I1055 PolarHBondContact O-N 2.85Å; L1052-I1055 PolarHBondContact O-N 2.7Å; E1053-I1055 VanDerWaalsContact C-N 3.34Å; E1053-I1055 PolarHBondContact O-N 2.81Å; I1055-K1059 WeakPolarHBondContact O-CB 3.48Å; I1055-K1059 PolarHBondContact O-N 3.21Å |
| 1056 | N | 74.2 | Confident | 73.4 | Confident | 88 Ų | 88 | 108.4 Ų | 108.4 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 173.6 | -79.9 | -28.8 | 0 | 0 | 0 | 112.8 | L1052 E1053 K1054 K1059 T1060 | L1052-N1056 PolarHBondContact O-N 3.09Å; L1052-N1056 PolarHBondContact O-ND2 2.72Å; E1053-N1056 CarbonylContact O-C 3.55Å; E1053-N1056 WeakPolarHBondContact O-CA 3.43Å; E1053-N1056 WeakPolarHBondContact O-CB 3.43Å; E1053-N1056 PolarHBondContact O-N 3.32Å; E1053-N1056 VanDerWaalsContact O-N 3.08Å; K1054-N1056 VanDerWaalsContact C-N 3.32Å; N1056-K1059 PolarHBondContact O-N 3.09Å; N1056-T1060 WeakPolarHBondContact O-CB 3.27Å; N1056-T1060 PolarHBondContact O-N 3.49Å; N1056-T1060 PolarHBondContact O-OG1 2.89Å |
| 1057 | E | 75.7 | Confident | 72.3 | Confident | 126 Ų | 126 | 106.1 Ų | 106.1 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.3 | -54.5 | 168.5 | -73.4 | -175.7 | 139.1 | 0 | 0 | 110.4 | E1053 K1054 K1059 T1060 D1061 | E1053-E1057 PolarHBondContact O-N 2.68Å; K1054-E1057 PolarHBondContact O-N 2.87Å; E1057-K1059 VanDerWaalsContact C-N 3.27Å; E1057-K1059 PolarHBondContact O-N 3.09Å; E1057-T1060 WeakPolarHBondContact O-CA 3.19Å; E1057-T1060 WeakPolarHBondContact O-CB 3.43Å; E1057-T1060 PolarHBondContact O-N 3.26Å; E1057-D1061 PolarHBondContact O-N 3.23Å |
| 1058 | Y | 68 | Low | 71.3 | Confident | 177 Ų | 177 | 105.5 Ų | 105.5 | 69% | 0.694 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.9 | -37.3 | 176.5 | -106.1 | -78 | 0 | 0 | 0 | 113.2 | K1054 T1060 D1061 V1062 | K1054-Y1058 PolarHBondContact O-N 2.98Å; Y1058-T1060 VanDerWaalsContact C-N 3.31Å; Y1058-D1061 PolarHBondContact O-N 3.37Å; Y1058-V1062 WeakPolarHBondContact O-CB 3.44Å; Y1058-V1062 VanDerWaalsContact O-CG2 3.28Å; Y1058-V1062 WeakPolarHBondContact O-CG2 3.18Å; Y1058-V1062 PolarHBondContact O-N 3.31Å |
| 1059 | K | 71.6 | Confident | 69.9 | Low | 135 Ų | 135 | 103.6 Ų | 103.6 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -35 | 174.5 | -175.8 | -177.5 | 175.8 | -172.4 | 0 | 111.4 | I1055 N1056 E1057 Q1063 | I1055-K1059 WeakPolarHBondContact O-CB 3.48Å; I1055-K1059 PolarHBondContact O-N 3.21Å; N1056-K1059 PolarHBondContact O-N 3.09Å; E1057-K1059 VanDerWaalsContact C-N 3.27Å; E1057-K1059 PolarHBondContact O-N 3.09Å; K1059-Q1063 WeakPolarHBondContact O-CB 3.29Å; K1059-Q1063 PolarHBondContact O-N 3.07Å |
| 1060 | T | 73.9 | Confident | 68.3 | Low | 93 Ų | 93 | 99.3 Ų | 99.3 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.8 | -40.2 | 177.7 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | N1056 E1057 Y1058 Q1063 Y1064 | N1056-T1060 WeakPolarHBondContact O-CB 3.27Å; N1056-T1060 PolarHBondContact O-N 3.49Å; N1056-T1060 PolarHBondContact O-OG1 2.89Å; E1057-T1060 WeakPolarHBondContact O-CA 3.19Å; E1057-T1060 WeakPolarHBondContact O-CB 3.43Å; E1057-T1060 PolarHBondContact O-N 3.26Å; Y1058-T1060 VanDerWaalsContact C-N 3.31Å; T1060-Q1063 PolarHBondContact O-N 3.3Å; T1060-Y1064 PolarHBondContact O-N 2.88Å |
| 1061 | D | 67.2 | Low | 66.8 | Low | 112 Ų | 112 | 98.6 Ų | 98.6 | 60% | 0.599 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 172.7 | -73.2 | -18.6 | 0 | 0 | 0 | 111.8 | E1057 Y1058 Y1064 A1065 | E1057-D1061 PolarHBondContact O-N 3.23Å; Y1058-D1061 PolarHBondContact O-N 3.37Å; D1061-Y1064 PolarHBondContact O-N 2.83Å; D1061-A1065 PolarHBondContact O-N 2.9Å |
| 1062 | V | 65.6 | Low | 65.4 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | Y1058 A1065 C1066 | Y1058-V1062 WeakPolarHBondContact O-CB 3.44Å; Y1058-V1062 VanDerWaalsContact O-CG2 3.28Å; Y1058-V1062 WeakPolarHBondContact O-CG2 3.18Å; Y1058-V1062 PolarHBondContact O-N 3.31Å; V1062-A1065 PolarHBondContact O-N 3.18Å; V1062-C1066 WeakPolarHBondContact O-CB 3.39Å; V1062-C1066 PolarHBondContact O-N 3.29Å; V1062-C1066 PolarHBondContact O-SG 2.98Å |
| 1063 | Q | 67.8 | Low | 64.2 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.9 | -170.7 | 66.1 | 52.4 | 0 | 0 | 110.5 | K1059 T1060 A1065 C1066 D1067 | K1059-Q1063 WeakPolarHBondContact O-CB 3.29Å; K1059-Q1063 PolarHBondContact O-N 3.07Å; T1060-Q1063 PolarHBondContact O-N 3.3Å; Q1063-A1065 VanDerWaalsContact C-N 3.31Å; Q1063-A1065 PolarHBondContact O-N 2.81Å; Q1063-C1066 CarbonylContact O-C 3.56Å; Q1063-C1066 WeakPolarHBondContact O-CA 3.37Å; Q1063-C1066 WeakPolarHBondContact O-CB 3.5Å; Q1063-C1066 PolarHBondContact O-N 3.1Å; Q1063-C1066 VanDerWaalsContact O-N 3.08Å; Q1063-D1067 PolarHBondContact NE2-OD1 3.4Å; Q1063-D1067 WeakPolarHBondContact O-CB 3.32Å; Q1063-D1067 PolarHBondContact O-N 3.2Å |
| 1064 | Y | 70 | Confident | 62.7 | Low | 162 Ų | 162 | 99.7 Ų | 99.7 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -38.1 | 174.2 | -178.1 | -100.4 | 0 | 0 | 0 | 112.2 | T1060 D1061 D1067 N1068 | T1060-Y1064 PolarHBondContact O-N 2.88Å; D1061-Y1064 PolarHBondContact O-N 2.83Å; Y1064-D1067 PolarHBondContact O-N 3.14Å; Y1064-N1068 VanDerWaalsContact CE1-ND2 3.35Å; Y1064-N1068 WeakPolarHBondContact CE1-ND2 3.37Å; Y1064-N1068 PolarHBondContact O-N 2.89Å; Y1064-N1068 VanDerWaalsContact O-N 3.1Å; Y1064-N1068 PolarHBondContact O-ND2 2.91Å |
| 1065 | A | 60.7 | Low | 61 | Low | 47 Ų | 47 | 101.8 Ų | 101.8 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1061 V1062 Q1063 L1069 | D1061-A1065 PolarHBondContact O-N 2.9Å; V1062-A1065 PolarHBondContact O-N 3.18Å; Q1063-A1065 VanDerWaalsContact C-N 3.31Å; Q1063-A1065 PolarHBondContact O-N 2.81Å; A1065-L1069 WeakPolarHBondContact O-CG 3.28Å; A1065-L1069 PolarHBondContact O-N 3.06Å; A1065-L1069 VanDerWaalsContact O-N 3.16Å |
| 1066 | C | 55.3 | Low | 59.5 | Low | 41 Ų | 41 | 102 Ų | 102 | 28% | 0.277 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | V1062 Q1063 L1069 A1070 L1073 | V1062-C1066 WeakPolarHBondContact O-CB 3.39Å; V1062-C1066 PolarHBondContact O-N 3.29Å; V1062-C1066 PolarHBondContact O-SG 2.98Å; Q1063-C1066 CarbonylContact O-C 3.56Å; Q1063-C1066 WeakPolarHBondContact O-CA 3.37Å; Q1063-C1066 WeakPolarHBondContact O-CB 3.5Å; Q1063-C1066 PolarHBondContact O-N 3.1Å; Q1063-C1066 VanDerWaalsContact O-N 3.08Å; C1066-L1069 CarbonylContact O-C 3.59Å; C1066-L1069 VanDerWaalsContact O-CA 3.28Å; C1066-L1069 WeakPolarHBondContact O-CA 3.42Å; C1066-L1069 WeakPolarHBondContact O-CB 3.44Å; C1066-L1069 PolarHBondContact O-N 3.42Å; C1066-A1070 PolarHBondContact O-N 2.89Å; C1066-L1073 HydrophobicContact CB-CD1 4.21Å; C1066-L1073 VanDerWaalsContact O-CD1 3.25Å; C1066-L1073 WeakPolarHBondContact O-CD1 3.45Å |
| 1067 | D | 61.1 | Low | 57.8 | Low | 88 Ų | 88 | 104.9 Ų | 104.9 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.4 | -33.3 | -179.6 | -68 | -13.2 | 0 | 0 | 0 | 110.9 | Q1063 Y1064 L1069 A1070 | Q1063-D1067 PolarHBondContact NE2-OD1 3.4Å; Q1063-D1067 WeakPolarHBondContact O-CB 3.32Å; Q1063-D1067 PolarHBondContact O-N 3.2Å; Y1064-D1067 PolarHBondContact O-N 3.14Å; D1067-L1069 VanDerWaalsContact C-N 3.27Å; D1067-A1070 WeakPolarHBondContact O-CB 3.43Å; D1067-A1070 PolarHBondContact O-N 2.85Å; D1067-A1070 VanDerWaalsContact O-N 3.07Å |
| 1068 | N | 58.4 | Low | 56.1 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.5 | -22.6 | 168 | -74.9 | -72.8 | 0 | 0 | 0 | 112.8 | Y1064 | Y1064-N1068 VanDerWaalsContact CE1-ND2 3.35Å; Y1064-N1068 WeakPolarHBondContact CE1-ND2 3.37Å; Y1064-N1068 PolarHBondContact O-N 2.89Å; Y1064-N1068 VanDerWaalsContact O-N 3.1Å; Y1064-N1068 PolarHBondContact O-ND2 2.91Å |
| 1069 | L | 50.6 | Low | 54.8 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 34% | 0.335 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.2 | 166.5 | -70.3 | 163.2 | 0 | 0 | 0 | 112.9 | A1065 C1066 D1067 P1071 L1072 L1073 I1170 | A1065-L1069 WeakPolarHBondContact O-CG 3.28Å; A1065-L1069 PolarHBondContact O-N 3.06Å; A1065-L1069 VanDerWaalsContact O-N 3.16Å; C1066-L1069 CarbonylContact O-C 3.59Å; C1066-L1069 VanDerWaalsContact O-CA 3.28Å; C1066-L1069 WeakPolarHBondContact O-CA 3.42Å; C1066-L1069 WeakPolarHBondContact O-CB 3.44Å; C1066-L1069 PolarHBondContact O-N 3.42Å; D1067-L1069 VanDerWaalsContact C-N 3.27Å; L1069-P1071 VanDerWaalsContact C-CD 3.44Å; L1069-L1072 HydrophobicContact CD2-CD1 4.13Å; L1069-L1072 CarbonylContact O-C 3.54Å; L1069-L1072 WeakPolarHBondContact O-CA 3.37Å; L1069-L1072 WeakPolarHBondContact O-CB 3.44Å; L1069-L1072 PolarHBondContact O-N 3.3Å; L1069-L1073 HydrophobicContact CB-CD1 4.32Å; L1069-L1073 PolarHBondContact O-N 3.05Å; L1069-I1170 HydrophobicContact CD2-CD1 4.32Å |
| 1070 | A | 48 | Very low | 53.6 | Low | 41 Ų | 41 | 93.8 Ų | 93.8 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -37.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1066 D1067 L1072 L1073 L1074 | C1066-A1070 PolarHBondContact O-N 2.89Å; D1067-A1070 WeakPolarHBondContact O-CB 3.43Å; D1067-A1070 PolarHBondContact O-N 2.85Å; D1067-A1070 VanDerWaalsContact O-N 3.07Å; A1070-L1072 PolarHBondContact O-N 3.22Å; A1070-L1073 PolarHBondContact O-N 3.3Å; A1070-L1073 VanDerWaalsContact O-N 3.11Å; A1070-L1074 PolarHBondContact O-N 3.2Å |
| 1071 | P | 52.4 | Low | 52.1 | Low | 97 Ų | 97 | 96 Ų | 96 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.9 | 174.1 | -22.8 | 34.8 | 0 | 0 | 0 | 114.5 | L1069 | L1069-P1071 VanDerWaalsContact C-CD 3.44Š|
| 1072 | L | 46.1 | Very low | 52.2 | Low | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -21.6 | 174.2 | -61.8 | 172.1 | 0 | 0 | 0 | 112 | L1069 A1070 L1074 I1174 | L1069-L1072 HydrophobicContact CD2-CD1 4.13Å; L1069-L1072 CarbonylContact O-C 3.54Å; L1069-L1072 WeakPolarHBondContact O-CA 3.37Å; L1069-L1072 WeakPolarHBondContact O-CB 3.44Å; L1069-L1072 PolarHBondContact O-N 3.3Å; A1070-L1072 PolarHBondContact O-N 3.22Å; L1072-L1074 PolarHBondContact O-N 2.97Å; L1072-I1174 HydrophobicContact CD1-CD1 3.86Å; L1072-I1174 HydrophobicContact CD1-CG1 3.98Å |
| 1073 | L | 50.2 | Low | 52.4 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 37% | 0.366 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -77.8 | 2 | 170.6 | -67.5 | 165.3 | 0 | 0 | 0 | 113.3 | C1066 L1069 A1070 F1075 N1076 | C1066-L1073 HydrophobicContact CB-CD1 4.21Å; C1066-L1073 VanDerWaalsContact O-CD1 3.25Å; C1066-L1073 WeakPolarHBondContact O-CD1 3.45Å; L1069-L1073 HydrophobicContact CB-CD1 4.32Å; L1069-L1073 PolarHBondContact O-N 3.05Å; A1070-L1073 PolarHBondContact O-N 3.3Å; A1070-L1073 VanDerWaalsContact O-N 3.11Å; L1073-F1075 PolarHBondContact O-N 3.14Å; L1073-F1075 VanDerWaalsContact O-N 3.15Å; L1073-N1076 WeakPolarHBondContact CD2-ND2 3.31Å; L1073-N1076 WeakPolarHBondContact O-CA 3.49Å; L1073-N1076 VanDerWaalsContact O-CB 3.3Å; L1073-N1076 WeakPolarHBondContact O-CB 3.09Å; L1073-N1076 PolarHBondContact O-N 3.21Å |
| 1074 | L | 50.4 | Low | 52.1 | Low | 145 Ų | 145 | 98 Ų | 98 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -66.7 | -10.2 | 177 | -86.7 | 165 | 0 | 0 | 0 | 114.6 | A1070 L1072 N1076 | A1070-L1074 PolarHBondContact O-N 3.2Å; L1072-L1074 PolarHBondContact O-N 2.97Å; L1074-N1076 VanDerWaalsContact C-N 3.3Å |
| 1075 | F | 41 | Very low | 51.9 | Low | 174 Ų | 174 | 93.1 Ų | 93.1 | 76% | 0.763 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -83.2 | -2.3 | 165.2 | -88.5 | -84.5 | 0 | 0 | 0 | 114 | L1073 E1077 | L1073-F1075 PolarHBondContact O-N 3.14Å; L1073-F1075 VanDerWaalsContact O-N 3.15Å; F1075-E1077 PolarHBondContact O-N 3.17Å |
| 1076 | N | 40.7 | Very low | 52.3 | Low | 99 Ų | 99 | 94 Ų | 94 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | trans | -88.8 | 73.2 | 165.7 | -77.4 | -17.9 | 0 | 0 | 0 | 110.9 | L1073 L1074 S1078 | L1073-N1076 WeakPolarHBondContact CD2-ND2 3.31Å; L1073-N1076 WeakPolarHBondContact O-CA 3.49Å; L1073-N1076 VanDerWaalsContact O-CB 3.3Å; L1073-N1076 WeakPolarHBondContact O-CB 3.09Å; L1073-N1076 PolarHBondContact O-N 3.21Å; L1074-N1076 VanDerWaalsContact C-N 3.3Å; N1076-S1078 VanDerWaalsContact CA-N 3.26Å; N1076-S1078 PolarHBondContact O-N 3.22Å | ||
| 1077 | E | 38.9 | Very low | 53.1 | Low | 148 Ų | 148 | 95.7 Ų | 95.7 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | -72 | 59.1 | 125.5 | -80.8 | -161.6 | 165.6 | 0 | 0 | 108.1 | F1075 V1079 | F1075-E1077 PolarHBondContact O-N 3.17Å; E1077-V1079 PolarHBondContact O-N 3Å | |||
| 1078 | S | 39.7 | Very low | 53.6 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | trans | -70.2 | 88.5 | 168.5 | 60.9 | 0 | 0 | 0 | 0 | 105.6 | N1076 A1080 | N1076-S1078 VanDerWaalsContact CA-N 3.26Å; N1076-S1078 PolarHBondContact O-N 3.22Å; S1078-A1080 VanDerWaalsContact C-N 3.29Å; S1078-A1080 WeakPolarHBondContact O-CA 3.29Å; S1078-A1080 PolarHBondContact O-N 2.89Å | ||
| 1079 | V | 41.4 | Very low | 54.3 | Low | 82 Ų | 82 | 92.5 Ų | 92.5 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | trans | -38.9 | 108.6 | 148.9 | -179.2 | 0 | 0 | 0 | 0 | 104.1 | E1077 L1081 V1083 L1084 | E1077-V1079 PolarHBondContact O-N 3Å; V1079-L1081 PolarHBondContact O-N 3.48Å; V1079-V1083 HydrophobicContact CG1-CB 4.01Å; V1079-V1083 HydrophobicContact CG1-CG1 3.78Å; V1079-L1084 HydrophobicContact CB-CB 4.3Å; V1079-L1084 HydrophobicContact CB-CD1 4.06Å; V1079-L1084 HydrophobicContact CG1-CB 3.8Å; V1079-L1084 HydrophobicContact CG1-CD1 4.2Å; V1079-L1084 HydrophobicContact CG1-CG 4.42Å | ||
| 1080 | A | 46.4 | Very low | 55.5 | Low | 51 Ų | 51 | 93.8 Ų | 93.8 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | trans | -49.6 | 133.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S1078 K1082 V1083 L1084 | S1078-A1080 VanDerWaalsContact C-N 3.29Å; S1078-A1080 WeakPolarHBondContact O-CA 3.29Å; S1078-A1080 PolarHBondContact O-N 2.89Å; A1080-K1082 CarbonylContact O-C 3.6Å; A1080-K1082 VanDerWaalsContact O-C 3.29Å; A1080-K1082 PolarHBondContact O-N 3Å; A1080-V1083 HydrophobicContact CB-CB 4.45Å; A1080-V1083 HydrophobicContact CB-CG2 4.17Å; A1080-V1083 WeakPolarHBondContact O-CA 3.42Å; A1080-V1083 PolarHBondContact O-N 3.3Å; A1080-L1084 PolarHBondContact O-N 2.85Å | ||
| 1081 | L | 43.6 | Very low | 56.8 | Low | 141 Ų | 141 | 97.9 Ų | 97.9 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.8 | -27.2 | -167 | -155.4 | 146.9 | 0 | 0 | 0 | 111 | V1079 V1085 | V1079-L1081 PolarHBondContact O-N 3.48Å; L1081-V1085 HydrophobicContact CD2-CG2 3.88Å; L1081-V1085 WeakPolarHBondContact O-CB 3.42Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.47Å; L1081-V1085 PolarHBondContact O-N 2.86Å |
| 1082 | K | 67.4 | Low | 57.5 | Low | 153 Ų | 153 | 96.4 Ų | 96.4 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.5 | -57.5 | 161.6 | -177.9 | 169 | -177.7 | 178 | 0 | 115.1 | A1080 L1084 V1085 D1086 | A1080-K1082 CarbonylContact O-C 3.6Å; A1080-K1082 VanDerWaalsContact O-C 3.29Å; A1080-K1082 PolarHBondContact O-N 3Å; K1082-L1084 VanDerWaalsContact C-N 3.33Å; K1082-L1084 PolarHBondContact O-N 3.26Å; K1082-V1085 CarbonylContact O-C 3.51Å; K1082-V1085 PolarHBondContact O-N 3.43Å; K1082-D1086 VanDerWaalsContact CE-OD2 3.27Å; K1082-D1086 WeakPolarHBondContact CE-OD2 3.49Å; K1082-D1086 VanDerWaalsContact CG-OD2 3.28Å; K1082-D1086 WeakPolarHBondContact CG-OD2 3.46Å; K1082-D1086 VanDerWaalsContact O-CB 3.29Å; K1082-D1086 WeakPolarHBondContact O-CB 3.34Å; K1082-D1086 PolarHBondContact O-N 3.43Å |
| 1083 | V | 69.8 | Low | 58.8 | Low | 82 Ų | 82 | 94 Ų | 94 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | V1079 A1080 D1086 D1087 | V1079-V1083 HydrophobicContact CG1-CB 4.01Å; V1079-V1083 HydrophobicContact CG1-CG1 3.78Å; A1080-V1083 HydrophobicContact CB-CB 4.45Å; A1080-V1083 HydrophobicContact CB-CG2 4.17Å; A1080-V1083 WeakPolarHBondContact O-CA 3.42Å; A1080-V1083 PolarHBondContact O-N 3.3Å; V1083-D1086 PolarHBondContact O-N 2.82Å; V1083-D1087 WeakPolarHBondContact O-CB 3.42Å; V1083-D1087 PolarHBondContact O-N 2.71Å |
| 1084 | L | 62.2 | Low | 60.1 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -36.3 | 178 | -160.5 | 142.2 | 0 | 0 | 0 | 111.2 | V1079 A1080 K1082 V1088 | V1079-L1084 HydrophobicContact CB-CB 4.3Å; V1079-L1084 HydrophobicContact CB-CD1 4.06Å; V1079-L1084 HydrophobicContact CG1-CB 3.8Å; V1079-L1084 HydrophobicContact CG1-CD1 4.2Å; V1079-L1084 HydrophobicContact CG1-CG 4.42Å; A1080-L1084 PolarHBondContact O-N 2.85Å; K1082-L1084 VanDerWaalsContact C-N 3.33Å; K1082-L1084 PolarHBondContact O-N 3.26Å; L1084-V1088 HydrophobicContact CD2-CG2 4.19Å; L1084-V1088 WeakPolarHBondContact O-CB 3.23Å; L1084-V1088 WeakPolarHBondContact O-CG2 3.32Å; L1084-V1088 PolarHBondContact O-N 3.4Å |
| 1085 | V | 66.3 | Low | 61.1 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 170.9 | 164.8 | 0 | 0 | 0 | 0 | 112 | L1081 K1082 V1088 I1089 | L1081-V1085 HydrophobicContact CD2-CG2 3.88Å; L1081-V1085 WeakPolarHBondContact O-CB 3.42Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.47Å; L1081-V1085 PolarHBondContact O-N 2.86Å; K1082-V1085 CarbonylContact O-C 3.51Å; K1082-V1085 PolarHBondContact O-N 3.43Å; V1085-V1088 PolarHBondContact O-N 3.5Å; V1085-I1089 HydrophobicContact CG1-CD1 3.55Å; V1085-I1089 HydrophobicContact CG1-CG1 4.21Å; V1085-I1089 VanDerWaalsContact O-CB 3.23Å; V1085-I1089 WeakPolarHBondContact O-CB 3.45Å; V1085-I1089 WeakPolarHBondContact O-CG1 3.36Å; V1085-I1089 PolarHBondContact O-N 3.02Å |
| 1086 | D | 68.8 | Low | 62.6 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 35% | 0.353 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 179.3 | -70.2 | -17.5 | 0 | 0 | 0 | 109.8 | K1082 V1083 I1089 I1090 | K1082-D1086 VanDerWaalsContact CE-OD2 3.27Å; K1082-D1086 WeakPolarHBondContact CE-OD2 3.49Å; K1082-D1086 VanDerWaalsContact CG-OD2 3.28Å; K1082-D1086 WeakPolarHBondContact CG-OD2 3.46Å; K1082-D1086 VanDerWaalsContact O-CB 3.29Å; K1082-D1086 WeakPolarHBondContact O-CB 3.34Å; K1082-D1086 PolarHBondContact O-N 3.43Å; V1083-D1086 PolarHBondContact O-N 2.82Å; D1086-I1089 PolarHBondContact O-N 3.26Å; D1086-I1090 WeakPolarHBondContact O-CB 3.38Å; D1086-I1090 VanDerWaalsContact O-CG1 3.24Å; D1086-I1090 WeakPolarHBondContact O-CG1 3.47Å; D1086-I1090 PolarHBondContact O-N 3.45Å |
| 1087 | D | 72.9 | Confident | 64.2 | Low | 76 Ų | 76 | 86.5 Ų | 86.5 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 176.4 | -158 | 68.8 | 0 | 0 | 0 | 112 | V1083 K1091 | V1083-D1087 WeakPolarHBondContact O-CB 3.42Å; V1083-D1087 PolarHBondContact O-N 2.71Å; D1087-K1091 WeakPolarHBondContact O-CB 3.3Å; D1087-K1091 WeakPolarHBondContact O-CG 3.38Å; D1087-K1091 PolarHBondContact O-N 2.9Å; D1087-K1091 IonicContact OD2-NZ 3.37Å; D1087-K1091 PolarHBondContact OD2-NZ 3.12Å |
| 1088 | V | 70.5 | Confident | 66 | Low | 69 Ų | 69 | 85.3 Ų | 85.3 | 42% | 0.418 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 170.8 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | L1084 V1085 L1092 | L1084-V1088 HydrophobicContact CD2-CG2 4.19Å; L1084-V1088 WeakPolarHBondContact O-CB 3.23Å; L1084-V1088 WeakPolarHBondContact O-CG2 3.32Å; L1084-V1088 PolarHBondContact O-N 3.4Å; V1085-V1088 PolarHBondContact O-N 3.5Å; V1088-L1092 HydrophobicContact CG1-CD1 3.81Å; V1088-L1092 HydrophobicContact CG1-CG 4.31Å; V1088-L1092 WeakPolarHBondContact O-CB 3.46Å; V1088-L1092 VanDerWaalsContact O-CG 3.23Å; V1088-L1092 WeakPolarHBondContact O-CG 3.4Å; V1088-L1092 PolarHBondContact O-N 3.28Å |
| 1089 | I | 72.8 | Confident | 67.1 | Low | 55 Ų | 55 | 85.1 Ų | 85.1 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 173.3 | -77.8 | 168 | 0 | 0 | 0 | 109.9 | V1085 D1086 L1092 N1093 | V1085-I1089 HydrophobicContact CG1-CD1 3.55Å; V1085-I1089 HydrophobicContact CG1-CG1 4.21Å; V1085-I1089 VanDerWaalsContact O-CB 3.23Å; V1085-I1089 WeakPolarHBondContact O-CB 3.45Å; V1085-I1089 WeakPolarHBondContact O-CG1 3.36Å; V1085-I1089 PolarHBondContact O-N 3.02Å; D1086-I1089 PolarHBondContact O-N 3.26Å; I1089-L1092 PolarHBondContact O-N 3.1Å; I1089-N1093 VanDerWaalsContact O-CB 3.23Å; I1089-N1093 WeakPolarHBondContact O-CB 3.05Å; I1089-N1093 PolarHBondContact O-N 3.17Å |
| 1090 | I | 76.3 | Confident | 68.2 | Low | 91 Ų | 91 | 84.1 Ų | 84.1 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.8 | -52.9 | 174.8 | -70.7 | 163 | 0 | 0 | 0 | 109.6 | D1086 L1092 N1093 D1094 | D1086-I1090 WeakPolarHBondContact O-CB 3.38Å; D1086-I1090 VanDerWaalsContact O-CG1 3.24Å; D1086-I1090 WeakPolarHBondContact O-CG1 3.47Å; D1086-I1090 PolarHBondContact O-N 3.45Å; I1090-L1092 PolarHBondContact O-N 2.86Å; I1090-N1093 CarbonylContact O-C 3.58Å; I1090-N1093 PolarHBondContact O-N 3.15Å; I1090-D1094 PolarHBondContact O-N 3.16Å |
| 1091 | K | 75.9 | Confident | 69.4 | Low | 127 Ų | 127 | 84.7 Ų | 84.7 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.2 | -38.9 | 177.2 | -76.9 | 169.5 | 177.7 | 148.3 | 0 | 113.6 | D1087 N1093 Q1095 | D1087-K1091 WeakPolarHBondContact O-CB 3.3Å; D1087-K1091 WeakPolarHBondContact O-CG 3.38Å; D1087-K1091 PolarHBondContact O-N 2.9Å; D1087-K1091 IonicContact OD2-NZ 3.37Å; D1087-K1091 PolarHBondContact OD2-NZ 3.12Å; K1091-N1093 VanDerWaalsContact C-N 3.32Å; K1091-Q1095 WeakPolarHBondContact O-CB 3.46Å; K1091-Q1095 PolarHBondContact O-N 3.44Å |
| 1092 | L | 66.9 | Low | 70.4 | Confident | 66 Ų | 66 | 80.4 Ų | 80.4 | 35% | 0.346 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 173.3 | -81 | 168.6 | 0 | 0 | 0 | 112 | V1088 I1089 I1090 K1096 | V1088-L1092 HydrophobicContact CG1-CD1 3.81Å; V1088-L1092 HydrophobicContact CG1-CG 4.31Å; V1088-L1092 WeakPolarHBondContact O-CB 3.46Å; V1088-L1092 VanDerWaalsContact O-CG 3.23Å; V1088-L1092 WeakPolarHBondContact O-CG 3.4Å; V1088-L1092 PolarHBondContact O-N 3.28Å; I1089-L1092 PolarHBondContact O-N 3.1Å; I1090-L1092 PolarHBondContact O-N 2.86Å; L1092-K1096 WeakPolarHBondContact O-CB 3.43Å; L1092-K1096 PolarHBondContact O-N 3.44Å |
| 1093 | N | 73.3 | Confident | 70.2 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -76.3 | -38.3 | 178.7 | -151.3 | 29 | 0 | 0 | 0 | 111.1 | F970 I1089 I1090 K1091 K1096 N1097 | F970-N1093 WeakPolarHBondContact CE1-OD1 3.49Å; F970-N1093 WeakPolarHBondContact CZ-OD1 3.24Å; I1089-N1093 VanDerWaalsContact O-CB 3.23Å; I1089-N1093 WeakPolarHBondContact O-CB 3.05Å; I1089-N1093 PolarHBondContact O-N 3.17Å; I1090-N1093 CarbonylContact O-C 3.58Å; I1090-N1093 PolarHBondContact O-N 3.15Å; K1091-N1093 VanDerWaalsContact C-N 3.32Å; N1093-K1096 PolarHBondContact O-N 2.81Å; N1093-N1097 WeakPolarHBondContact O-CB 3.43Å; N1093-N1097 PolarHBondContact O-N 3.4Å; N1093-N1097 PolarHBondContact O-ND2 2.95Å |
| 1094 | D | 76.7 | Confident | 70 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 170.9 | -69 | -21.8 | 0 | 0 | 0 | 110.9 | I1090 K1096 N1097 Y1098 | I1090-D1094 PolarHBondContact O-N 3.16Å; D1094-K1096 VanDerWaalsContact C-N 3.33Å; D1094-K1096 PolarHBondContact O-N 2.85Å; D1094-N1097 PolarHBondContact O-N 3.43Å; D1094-Y1098 WeakPolarHBondContact O-CB 3.07Å; D1094-Y1098 PolarHBondContact O-N 3.1Å |
| 1095 | Q | 72.5 | Confident | 70.1 | Confident | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 174.5 | -169.3 | 179.9 | 10 | 0 | 0 | 112.2 | K1091 S1099 | K1091-Q1095 WeakPolarHBondContact O-CB 3.46Å; K1091-Q1095 PolarHBondContact O-N 3.44Å; Q1095-S1099 VanDerWaalsContact O-CB 3.26Å; Q1095-S1099 WeakPolarHBondContact O-CB 3.31Å; Q1095-S1099 PolarHBondContact O-N 3.45Å |
| 1096 | K | 71.1 | Confident | 69.3 | Low | 27 Ų | 27 | 76.2 Ų | 76.2 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 172.9 | 179.3 | -171.7 | 172.7 | -166.8 | 0 | 111.6 | F970 L1092 N1093 D1094 S1099 N1100 | F970-K1096 HydrophobicContact CE1-CD 4.4Å; F970-K1096 HydrophobicContact CZ-CD 4.42Å; F970-K1096 VanDerWaalsContact CZ-NZ 3.28Å; L1092-K1096 WeakPolarHBondContact O-CB 3.43Å; L1092-K1096 PolarHBondContact O-N 3.44Å; N1093-K1096 PolarHBondContact O-N 2.81Å; D1094-K1096 VanDerWaalsContact C-N 3.33Å; D1094-K1096 PolarHBondContact O-N 2.85Å; K1096-S1099 PolarHBondContact O-N 2.87Å; K1096-N1100 WeakPolarHBondContact O-CB 3.37Å; K1096-N1100 VanDerWaalsContact O-CG 3.26Å; K1096-N1100 PolarHBondContact O-N 3.34Å |
| 1097 | N | 74.3 | Confident | 68.6 | Low | 77 Ų | 77 | 79.3 Ų | 79.3 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.3 | -71.2 | -24.1 | 0 | 0 | 0 | 110.7 | N1093 D1094 N1100 S1101 | N1093-N1097 WeakPolarHBondContact O-CB 3.43Å; N1093-N1097 PolarHBondContact O-N 3.4Å; N1093-N1097 PolarHBondContact O-ND2 2.95Å; D1094-N1097 PolarHBondContact O-N 3.43Å; N1097-N1100 PolarHBondContact O-N 2.99Å; N1097-S1101 WeakPolarHBondContact O-CB 3.44Å; N1097-S1101 PolarHBondContact O-N 3.04Å |
| 1098 | Y | 76.4 | Confident | 67.8 | Low | 124 Ų | 124 | 78.8 Ų | 78.8 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 171.2 | -177.5 | -102.6 | 0 | 0 | 0 | 111.7 | D1094 N1100 S1101 L1102 | D1094-Y1098 WeakPolarHBondContact O-CB 3.07Å; D1094-Y1098 PolarHBondContact O-N 3.1Å; Y1098-N1100 VanDerWaalsContact C-N 3.31Å; Y1098-N1100 PolarHBondContact O-N 2.9Å; Y1098-S1101 WeakPolarHBondContact O-CB 3.48Å; Y1098-S1101 PolarHBondContact O-N 2.89Å; Y1098-L1102 HydrophobicContact CE1-CD1 4.41Å; Y1098-L1102 WeakPolarHBondContact O-CB 3.44Å; Y1098-L1102 PolarHBondContact O-N 3.32Å |
| 1099 | S | 63.5 | Low | 67 | Low | 67 Ų | 67 | 78.6 Ų | 78.6 | 47% | 0.469 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 113 | Q1095 K1096 N1103 | Q1095-S1099 VanDerWaalsContact O-CB 3.26Å; Q1095-S1099 WeakPolarHBondContact O-CB 3.31Å; Q1095-S1099 PolarHBondContact O-N 3.45Å; K1096-S1099 PolarHBondContact O-N 2.87Å; S1099-N1103 WeakPolarHBondContact O-CB 3.41Å; S1099-N1103 PolarHBondContact O-N 3.24Å |
| 1100 | N | 65.5 | Low | 65.9 | Low | 61 Ų | 61 | 82.7 Ų | 82.7 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 175 | -77.7 | -9 | 0 | 0 | 0 | 111.2 | K1096 N1097 Y1098 N1103 T1104 | K1096-N1100 WeakPolarHBondContact O-CB 3.37Å; K1096-N1100 VanDerWaalsContact O-CG 3.26Å; K1096-N1100 PolarHBondContact O-N 3.34Å; N1097-N1100 PolarHBondContact O-N 2.99Å; Y1098-N1100 VanDerWaalsContact C-N 3.31Å; Y1098-N1100 PolarHBondContact O-N 2.9Å; N1100-N1103 PolarHBondContact O-N 2.92Å; N1100-T1104 PolarHBondContact O-N 3.32Å; N1100-T1104 PolarHBondContact O-OG1 3.14Å |
| 1101 | S | 71.3 | Confident | 64.6 | Low | 63 Ų | 63 | 81.4 Ų | 81.4 | 44% | 0.441 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 172.2 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | N1097 Y1098 N1103 T1104 E1105 | N1097-S1101 WeakPolarHBondContact O-CB 3.44Å; N1097-S1101 PolarHBondContact O-N 3.04Å; Y1098-S1101 WeakPolarHBondContact O-CB 3.48Å; Y1098-S1101 PolarHBondContact O-N 2.89Å; S1101-N1103 VanDerWaalsContact C-N 3.31Å; S1101-N1103 PolarHBondContact O-N 2.89Å; S1101-T1104 PolarHBondContact O-N 3.47Å; S1101-T1104 VanDerWaalsContact O-N 3.14Å; S1101-T1104 PolarHBondContact O-OG1 3.33Å; S1101-E1105 PolarHBondContact O-N 2.96Å |
| 1102 | L | 64.2 | Low | 63 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.5 | -150.7 | 85.5 | 0 | 0 | 0 | 111.7 | Y1098 E1105 F1106 | Y1098-L1102 HydrophobicContact CE1-CD1 4.41Å; Y1098-L1102 WeakPolarHBondContact O-CB 3.44Å; Y1098-L1102 PolarHBondContact O-N 3.32Å; L1102-E1105 PolarHBondContact O-N 2.93Å; L1102-F1106 HydrophobicContact CD2-CD2 4.33Å; L1102-F1106 HydrophobicContact CD2-CE2 3.92Å; L1102-F1106 HydrophobicContact CG-CD2 4.19Å; L1102-F1106 HydrophobicContact CG-CE2 4.12Å; L1102-F1106 WeakPolarHBondContact O-CB 3.4Å; L1102-F1106 VanDerWaalsContact O-CD2 3.26Å; L1102-F1106 WeakPolarHBondContact O-CD2 3.14Å; L1102-F1106 PolarHBondContact O-N 3.32Å |
| 1103 | N | 63.7 | Low | 61.5 | Low | 85 Ų | 85 | 79 Ų | 79 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.3 | -31.2 | 176.8 | -171 | 46.7 | 0 | 0 | 0 | 112.6 | S1099 N1100 S1101 F1106 Q1107 | S1099-N1103 WeakPolarHBondContact O-CB 3.41Å; S1099-N1103 PolarHBondContact O-N 3.24Å; N1100-N1103 PolarHBondContact O-N 2.92Å; S1101-N1103 VanDerWaalsContact C-N 3.31Å; S1101-N1103 PolarHBondContact O-N 2.89Å; N1103-F1106 PolarHBondContact O-N 3.02Å; N1103-Q1107 WeakPolarHBondContact O-CG 3.25Å; N1103-Q1107 PolarHBondContact O-N 3.41Å |
| 1104 | T | 64.4 | Low | 59.9 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.3 | -34 | 171.5 | 19.7 | 0 | 0 | 0 | 0 | 112.1 | N964 N1100 S1101 A1108 | N964-T1104 VanDerWaalsContact ND2-CG2 3.32Å; N964-T1104 WeakPolarHBondContact ND2-CG2 3.37Å; N964-T1104 PolarHBondContact ND2-OG1 3.34Å; N964-T1104 WeakPolarHBondContact OD1-CG2 3.43Å; N1100-T1104 PolarHBondContact O-N 3.32Å; N1100-T1104 PolarHBondContact O-OG1 3.14Å; S1101-T1104 PolarHBondContact O-N 3.47Å; S1101-T1104 VanDerWaalsContact O-N 3.14Å; S1101-T1104 PolarHBondContact O-OG1 3.33Å; T1104-A1108 VanDerWaalsContact O-CB 3.3Å; T1104-A1108 WeakPolarHBondContact O-CB 3.46Å; T1104-A1108 PolarHBondContact O-N 3.07Å |
| 1105 | E | 64.8 | Low | 57.7 | Low | 54 Ų | 54 | 85.1 Ų | 85.1 | 25% | 0.252 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 166.4 | -72.1 | -170.1 | 112.3 | 0 | 0 | 111.4 | S1101 L1102 Q1107 A1108 I1109 N1216 | S1101-E1105 PolarHBondContact O-N 2.96Å; L1102-E1105 PolarHBondContact O-N 2.93Å; E1105-Q1107 PolarHBondContact O-N 3.34Å; E1105-A1108 WeakPolarHBondContact O-CB 3.24Å; E1105-A1108 PolarHBondContact O-N 3.31Å; E1105-A1108 VanDerWaalsContact O-N 3.16Å; E1105-I1109 WeakPolarHBondContact O-CB 3.38Å; E1105-I1109 WeakPolarHBondContact O-CD1 3.19Å; E1105-I1109 VanDerWaalsContact O-CG1 3.23Å; E1105-I1109 WeakPolarHBondContact O-CG1 3.25Å; E1105-I1109 PolarHBondContact O-N 2.97Å; E1105-N1216 PolarHBondContact OE1-ND2 3.16Å |
| 1106 | F | 50.1 | Low | 56.3 | Low | 110 Ų | 110 | 84.4 Ų | 84.4 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.4 | -91.2 | -66.1 | 0 | 0 | 0 | 113 | L1102 N1103 I1109 L1110 | L1102-F1106 HydrophobicContact CD2-CD2 4.33Å; L1102-F1106 HydrophobicContact CD2-CE2 3.92Å; L1102-F1106 HydrophobicContact CG-CD2 4.19Å; L1102-F1106 HydrophobicContact CG-CE2 4.12Å; L1102-F1106 WeakPolarHBondContact O-CB 3.4Å; L1102-F1106 VanDerWaalsContact O-CD2 3.26Å; L1102-F1106 WeakPolarHBondContact O-CD2 3.14Å; L1102-F1106 PolarHBondContact O-N 3.32Å; N1103-F1106 PolarHBondContact O-N 3.02Å; F1106-I1109 PolarHBondContact O-N 3.04Å; F1106-L1110 WeakPolarHBondContact O-CB 3.39Å; F1106-L1110 VanDerWaalsContact O-CG 3.27Å; F1106-L1110 WeakPolarHBondContact O-CG 3.47Å; F1106-L1110 PolarHBondContact O-N 3.08Å |
| 1107 | Q | 53.6 | Low | 54.6 | Low | 130 Ų | 130 | 90 Ų | 90 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.9 | -34.4 | 173.1 | -73.2 | -160.2 | 6.1 | 0 | 0 | 112.7 | N1103 E1105 I1109 L1110 G1111 | N1103-Q1107 WeakPolarHBondContact O-CG 3.25Å; N1103-Q1107 PolarHBondContact O-N 3.41Å; E1105-Q1107 PolarHBondContact O-N 3.34Å; Q1107-I1109 VanDerWaalsContact C-N 3.3Å; Q1107-I1109 PolarHBondContact O-N 2.91Å; Q1107-L1110 PolarHBondContact O-N 3.17Å; Q1107-G1111 PolarHBondContact O-N 2.88Å |
| 1108 | A | 55.9 | Low | 53 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1104 E1105 | T1104-A1108 VanDerWaalsContact O-CB 3.3Å; T1104-A1108 WeakPolarHBondContact O-CB 3.46Å; T1104-A1108 PolarHBondContact O-N 3.07Å; E1105-A1108 WeakPolarHBondContact O-CB 3.24Å; E1105-A1108 PolarHBondContact O-N 3.31Å; E1105-A1108 VanDerWaalsContact O-N 3.16Å |
| 1109 | I | 54 | Low | 51.7 | Low | 64 Ų | 64 | 94.9 Ų | 94.9 | 33% | 0.328 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.9 | -44.6 | 174.7 | -69.1 | 162.1 | 0 | 0 | 0 | 111.1 | E1105 F1106 Q1107 G1111 S1112 | E1105-I1109 WeakPolarHBondContact O-CB 3.38Å; E1105-I1109 WeakPolarHBondContact O-CD1 3.19Å; E1105-I1109 VanDerWaalsContact O-CG1 3.23Å; E1105-I1109 WeakPolarHBondContact O-CG1 3.25Å; E1105-I1109 PolarHBondContact O-N 2.97Å; F1106-I1109 PolarHBondContact O-N 3.04Å; Q1107-I1109 VanDerWaalsContact C-N 3.3Å; Q1107-I1109 PolarHBondContact O-N 2.91Å; I1109-G1111 PolarHBondContact O-N 2.92Å; I1109-S1112 PolarHBondContact O-N 2.89Å; I1109-S1112 PolarHBondContact O-OG 3.48Å |
| 1110 | L | 49 | Very low | 51 | Low | 142 Ų | 142 | 95.8 Ų | 95.8 | 74% | 0.743 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.6 | -18.9 | 178.7 | -73.9 | 165.6 | 0 | 0 | 0 | 113.4 | F1106 Q1107 S1112 | F1106-L1110 WeakPolarHBondContact O-CB 3.39Å; F1106-L1110 VanDerWaalsContact O-CG 3.27Å; F1106-L1110 WeakPolarHBondContact O-CG 3.47Å; F1106-L1110 PolarHBondContact O-N 3.08Å; Q1107-L1110 PolarHBondContact O-N 3.17Å; L1110-S1112 VanDerWaalsContact C-N 3.25Å; L1110-S1112 PolarHBondContact O-N 2.96Å |
| 1111 | G | 48.6 | Very low | 50.1 | Low | 64 Ų | 64 | 98.5 Ų | 98.5 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 6.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1107 I1109 | Q1107-G1111 PolarHBondContact O-N 2.88Å; I1109-G1111 PolarHBondContact O-N 2.92Å |
| 1112 | S | 44 | Very low | 49.5 | Very low | 53 Ų | 53 | 101.1 Ų | 101.1 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -127.4 | 130.1 | 175.2 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | I1109 L1110 | I1109-S1112 PolarHBondContact O-N 2.89Å; I1109-S1112 PolarHBondContact O-OG 3.48Å; L1110-S1112 VanDerWaalsContact C-N 3.25Å; L1110-S1112 PolarHBondContact O-N 2.96Å |
| 1113 | A | 35.1 | Very low | 49.5 | Very low | 88 Ų | 88 | 105 Ų | 105 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -84.2 | 152.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1114 | N | 38.7 | Very low | 49.1 | Very low | 151 Ų | 151 | 104.7 Ų | 104.7 | 81% | 0.807 | 61% | 0.607 | S | S | * | * | trans | 67.9 | 118.2 | 151.2 | -64.5 | -28.3 | 0 | 0 | 0 | 121.3 | ||||
| 1115 | C | 30.6 | Very low | 49.3 | Very low | 126 Ų | 126 | 106.1 Ų | 106.1 | 85% | 0.851 | 61% | 0.612 | S | S | * | * | trans | 74.4 | 156.5 | 152.3 | -72.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1116 | P | 42.6 | Very low | 49.7 | Very low | 117 Ų | 117 | 110.5 Ų | 110.5 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | cis | -129.5 | 171.9 | -20.6 | 32.3 | -12.6 | 0 | 0 | 0 | 114.7 | ||||
| 1117 | I | 35.9 | Very low | 50.6 | Low | 144 Ų | 144 | 109.2 Ų | 109.2 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | trans | -81.5 | 132.1 | -173.3 | -61 | 162.7 | 0 | 0 | 0 | 113.2 | E1119 | I1117-E1119 PolarHBondContact O-N 3.39Š| ||
| 1118 | P | 41.4 | Very low | 51.4 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | trans | -79.7 | 105.2 | 168.4 | -17.8 | 33.7 | 0 | 0 | 0 | 115.1 | T1120 | P1118-T1120 PolarHBondContact O-N 2.93Š| ||
| 1119 | E | 49.7 | Very low | 52.3 | Low | 192 Ų | 192 | 111.7 Ų | 111.7 | 90% | 0.897 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 53.1 | -25 | 147.8 | -59.2 | -163 | 158.4 | 0 | 0 | 124.3 | I1117 | I1117-E1119 PolarHBondContact O-N 3.39Š|
| 1120 | T | 47.5 | Very low | 53.4 | Low | 85 Ų | 85 | 113.2 Ų | 113.2 | 52% | 0.521 | 64% | 0.64 | S | S | . | * | trans | -167.1 | 112.1 | 158.3 | 1.6 | 0 | 0 | 0 | 0 | 114.2 | P1118 D1122 E1123 | P1118-T1120 PolarHBondContact O-N 2.93Å; T1120-D1122 PolarHBondContact O-N 3.45Å; T1120-E1123 PolarHBondContact O-N 3.19Å | ||
| 1121 | L | 46.2 | Very low | 54.4 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.6 | -35.5 | 175.9 | -166.1 | 74.3 | 0 | 0 | 0 | 112.5 | E1123 C1124 I1125 | L1121-E1123 VanDerWaalsContact C-N 3.33Å; L1121-E1123 PolarHBondContact O-N 3.06Å; L1121-C1124 PolarHBondContact O-N 2.92Å; L1121-I1125 HydrophobicContact CD2-CD1 3.98Å; L1121-I1125 HydrophobicContact CG-CD1 3.76Å; L1121-I1125 HydrophobicContact CG-CG1 4.35Å; L1121-I1125 WeakPolarHBondContact O-CB 3.44Å; L1121-I1125 VanDerWaalsContact O-CG1 3.28Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.33Å; L1121-I1125 PolarHBondContact O-N 3.02Å |
| 1122 | D | 60.4 | Low | 55.4 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -32.8 | -175.8 | -124.7 | 27.3 | 0 | 0 | 0 | 113.4 | T1120 K1126 | T1120-D1122 PolarHBondContact O-N 3.45Å; D1122-K1126 WeakPolarHBondContact O-CB 3.36Å; D1122-K1126 PolarHBondContact O-N 2.72Å |
| 1123 | E | 63.9 | Low | 57 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.1 | -40.5 | -179.3 | -163.7 | 127.3 | -133.4 | 0 | 0 | 110.9 | T1120 L1121 K1126 V1127 | T1120-E1123 PolarHBondContact O-N 3.19Å; L1121-E1123 VanDerWaalsContact C-N 3.33Å; L1121-E1123 PolarHBondContact O-N 3.06Å; E1123-K1126 PolarHBondContact O-N 3.24Å; E1123-V1127 WeakPolarHBondContact O-CG2 3.3Å; E1123-V1127 PolarHBondContact O-N 3.37Å |
| 1124 | C | 54.6 | Low | 58.7 | Low | 78 Ų | 78 | 114.4 Ų | 114.4 | 53% | 0.527 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.9 | -44 | 168.7 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | L1121 K1126 V1127 I1128 | L1121-C1124 PolarHBondContact O-N 2.92Å; C1124-K1126 VanDerWaalsContact C-N 3.32Å; C1124-K1126 PolarHBondContact O-N 3.45Å; C1124-V1127 PolarHBondContact O-N 3.06Å; C1124-I1128 WeakPolarHBondContact O-CB 3.21Å; C1124-I1128 WeakPolarHBondContact O-CD1 3.43Å; C1124-I1128 VanDerWaalsContact O-CG1 3.25Å; C1124-I1128 WeakPolarHBondContact O-CG1 3.28Å; C1124-I1128 PolarHBondContact O-N 3.26Å |
| 1125 | I | 68.8 | Low | 60.2 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.4 | -41.6 | 174.5 | -72.9 | 170.8 | 0 | 0 | 0 | 110.7 | L1121 K1129 | L1121-I1125 HydrophobicContact CD2-CD1 3.98Å; L1121-I1125 HydrophobicContact CG-CD1 3.76Å; L1121-I1125 HydrophobicContact CG-CG1 4.35Å; L1121-I1125 WeakPolarHBondContact O-CB 3.44Å; L1121-I1125 VanDerWaalsContact O-CG1 3.28Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.33Å; L1121-I1125 PolarHBondContact O-N 3.02Å; I1125-K1129 WeakPolarHBondContact O-CB 3.34Å; I1125-K1129 PolarHBondContact O-N 2.81Å |
| 1126 | K | 73.3 | Confident | 62.4 | Low | 147 Ų | 147 | 112 Ų | 112 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -47.2 | 176.2 | -98.9 | 179.1 | 176.3 | 171.3 | 0 | 113.2 | D1122 E1123 C1124 K1129 N1130 | D1122-K1126 WeakPolarHBondContact O-CB 3.36Å; D1122-K1126 PolarHBondContact O-N 2.72Å; E1123-K1126 PolarHBondContact O-N 3.24Å; C1124-K1126 VanDerWaalsContact C-N 3.32Å; C1124-K1126 PolarHBondContact O-N 3.45Å; K1126-K1129 PolarHBondContact O-N 2.79Å; K1126-N1130 VanDerWaalsContact O-CB 3.29Å; K1126-N1130 WeakPolarHBondContact O-CB 3.23Å; K1126-N1130 PolarHBondContact O-N 2.88Å |
| 1127 | V | 70 | Confident | 64.2 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -51.4 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 110 | E1123 C1124 K1129 N1130 D1131 | E1123-V1127 WeakPolarHBondContact O-CG2 3.3Å; E1123-V1127 PolarHBondContact O-N 3.37Å; C1124-V1127 PolarHBondContact O-N 3.06Å; V1127-K1129 VanDerWaalsContact C-N 3.31Å; V1127-K1129 PolarHBondContact O-N 3.08Å; V1127-N1130 PolarHBondContact O-N 3.45Å; V1127-D1131 PolarHBondContact O-N 3.35Å |
| 1128 | I | 70.3 | Confident | 65.9 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.8 | -41.8 | 178.5 | -66.9 | 167 | 0 | 0 | 0 | 111.2 | C1124 D1131 F1132 | C1124-I1128 WeakPolarHBondContact O-CB 3.21Å; C1124-I1128 WeakPolarHBondContact O-CD1 3.43Å; C1124-I1128 VanDerWaalsContact O-CG1 3.25Å; C1124-I1128 WeakPolarHBondContact O-CG1 3.28Å; C1124-I1128 PolarHBondContact O-N 3.26Å; I1128-D1131 PolarHBondContact O-N 3.31Å; I1128-F1132 HydrophobicContact CG2-CD2 3.91Å; I1128-F1132 HydrophobicContact CG2-CE2 4.27Å; I1128-F1132 WeakPolarHBondContact O-CB 3.43Å; I1128-F1132 PolarHBondContact O-N 2.86Å |
| 1129 | K | 74 | Confident | 67.4 | Low | 148 Ų | 148 | 106.7 Ų | 106.7 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.9 | -33.8 | -179.7 | -166.1 | 173.7 | -171.7 | 179 | 0 | 112.7 | I1125 K1126 V1127 S1133 | I1125-K1129 WeakPolarHBondContact O-CB 3.34Å; I1125-K1129 PolarHBondContact O-N 2.81Å; K1126-K1129 PolarHBondContact O-N 2.79Å; V1127-K1129 VanDerWaalsContact C-N 3.31Å; V1127-K1129 PolarHBondContact O-N 3.08Å; K1129-S1133 WeakPolarHBondContact O-CB 3.44Å; K1129-S1133 PolarHBondContact O-N 3.45Å; K1129-S1133 PolarHBondContact O-OG 2.83Å |
| 1130 | N | 76.5 | Confident | 68.5 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71 | -41.8 | 174.6 | -169 | 74.5 | 0 | 0 | 0 | 111.3 | K1126 V1127 S1133 N1134 | K1126-N1130 VanDerWaalsContact O-CB 3.29Å; K1126-N1130 WeakPolarHBondContact O-CB 3.23Å; K1126-N1130 PolarHBondContact O-N 2.88Å; V1127-N1130 PolarHBondContact O-N 3.45Å; N1130-S1133 WeakPolarHBondContact O-CB 3.43Å; N1130-S1133 PolarHBondContact O-N 2.81Å; N1130-N1134 PolarHBondContact O-N 2.82Å |
| 1131 | D | 71.1 | Confident | 69.9 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 36% | 0.358 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 174.7 | -69.4 | -15 | 0 | 0 | 0 | 111.1 | V1127 I1128 S1133 N1134 Y1135 | V1127-D1131 PolarHBondContact O-N 3.35Å; I1128-D1131 PolarHBondContact O-N 3.31Å; D1131-S1133 VanDerWaalsContact C-N 3.26Å; D1131-S1133 PolarHBondContact O-N 3.43Å; D1131-N1134 PolarHBondContact O-N 3.42Å; D1131-Y1135 HydrophobicContact CB-CD2 4.39Å; D1131-Y1135 HydrophobicContact CB-CE2 4.11Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.4Å; D1131-Y1135 PolarHBondContact O-N 3.37Å |
| 1132 | F | 69.4 | Low | 71 | Confident | 150 Ų | 150 | 99.6 Ų | 99.6 | 66% | 0.658 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.5 | -35.8 | 171.5 | -104.9 | -84.9 | 0 | 0 | 0 | 112.9 | I1128 K1136 | I1128-F1132 HydrophobicContact CG2-CD2 3.91Å; I1128-F1132 HydrophobicContact CG2-CE2 4.27Å; I1128-F1132 WeakPolarHBondContact O-CB 3.43Å; I1128-F1132 PolarHBondContact O-N 2.86Å; F1132-K1136 VanDerWaalsContact O-CB 3.29Å; F1132-K1136 WeakPolarHBondContact O-CB 3.47Å; F1132-K1136 PolarHBondContact O-N 3.44Å |
| 1133 | S | 76.8 | Confident | 71.7 | Confident | 63 Ų | 63 | 97.4 Ų | 97.4 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | K1129 N1130 D1131 K1136 V1137 | K1129-S1133 WeakPolarHBondContact O-CB 3.44Å; K1129-S1133 PolarHBondContact O-N 3.45Å; K1129-S1133 PolarHBondContact O-OG 2.83Å; N1130-S1133 WeakPolarHBondContact O-CB 3.43Å; N1130-S1133 PolarHBondContact O-N 2.81Å; D1131-S1133 VanDerWaalsContact C-N 3.26Å; D1131-S1133 PolarHBondContact O-N 3.43Å; S1133-K1136 PolarHBondContact O-N 3.28Å; S1133-V1137 WeakPolarHBondContact O-CG2 3.27Å; S1133-V1137 PolarHBondContact O-N 3.27Å |
| 1134 | N | 72 | Confident | 72.3 | Confident | 92 Ų | 92 | 93.1 Ų | 93.1 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 173.9 | -76.6 | -29 | 0 | 0 | 0 | 112.2 | N1130 D1131 V1137 T1138 | N1130-N1134 PolarHBondContact O-N 2.82Å; D1131-N1134 PolarHBondContact O-N 3.42Å; N1134-V1137 PolarHBondContact O-N 2.79Å; N1134-T1138 PolarHBondContact O-N 3.26Å; N1134-T1138 PolarHBondContact O-OG1 2.94Å |
| 1135 | Y | 69.8 | Low | 73.1 | Confident | 92 Ų | 92 | 91.1 Ų | 91.1 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.7 | -68.2 | -51.8 | 0 | 0 | 0 | 112 | D1131 T1138 I1139 Y1205 | D1131-Y1135 HydrophobicContact CB-CD2 4.39Å; D1131-Y1135 HydrophobicContact CB-CE2 4.11Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.4Å; D1131-Y1135 PolarHBondContact O-N 3.37Å; Y1135-T1138 PolarHBondContact O-N 3.48Å; Y1135-I1139 WeakPolarHBondContact O-CB 3.31Å; Y1135-I1139 VanDerWaalsContact O-CG1 3.24Å; Y1135-I1139 WeakPolarHBondContact O-CG1 3.43Å; Y1135-I1139 PolarHBondContact O-N 3.08Å; Y1135-Y1205 PolarHBondContact OH-OH 2.78Å |
| 1136 | K | 77.6 | Confident | 73.5 | Confident | 133 Ų | 133 | 94 Ų | 94 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 174.8 | -175.6 | 171.2 | -179.1 | 177.9 | 0 | 111.9 | F1132 S1133 T1138 I1139 D1140 | F1132-K1136 VanDerWaalsContact O-CB 3.29Å; F1132-K1136 WeakPolarHBondContact O-CB 3.47Å; F1132-K1136 PolarHBondContact O-N 3.44Å; S1133-K1136 PolarHBondContact O-N 3.28Å; K1136-T1138 VanDerWaalsContact C-N 3.27Å; K1136-T1138 PolarHBondContact O-N 2.92Å; K1136-I1139 PolarHBondContact O-N 3.26Å; K1136-I1139 VanDerWaalsContact O-N 3.15Å; K1136-D1140 WeakPolarHBondContact CE-OD2 3.44Å; K1136-D1140 WeakPolarHBondContact CG-OD2 3.49Å; K1136-D1140 WeakPolarHBondContact O-CB 3.47Å; K1136-D1140 PolarHBondContact O-N 2.78Å |
| 1137 | V | 78.6 | Confident | 73.6 | Confident | 104 Ų | 104 | 91.7 Ų | 91.7 | 63% | 0.63 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.5 | -40.4 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | S1133 N1134 D1140 Q1141 | S1133-V1137 WeakPolarHBondContact O-CG2 3.27Å; S1133-V1137 PolarHBondContact O-N 3.27Å; N1134-V1137 PolarHBondContact O-N 2.79Å; V1137-D1140 PolarHBondContact O-N 2.92Å; V1137-Q1141 WeakPolarHBondContact O-CB 3.34Å; V1137-Q1141 PolarHBondContact O-N 3.42Å |
| 1138 | T | 73.3 | Confident | 73.8 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 177.3 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | N1134 Y1135 K1136 L1142 | N1134-T1138 PolarHBondContact O-N 3.26Å; N1134-T1138 PolarHBondContact O-OG1 2.94Å; Y1135-T1138 PolarHBondContact O-N 3.48Å; K1136-T1138 VanDerWaalsContact C-N 3.27Å; K1136-T1138 PolarHBondContact O-N 2.92Å; T1138-L1142 HydrophobicContact CG2-CD1 4.27Å; T1138-L1142 WeakPolarHBondContact O-CB 3.39Å; T1138-L1142 WeakPolarHBondContact O-CD1 3.49Å; T1138-L1142 VanDerWaalsContact O-CG 3.25Å; T1138-L1142 WeakPolarHBondContact O-CG 3.46Å; T1138-L1142 PolarHBondContact O-N 3.38Å |
| 1139 | I | 71.6 | Confident | 73.6 | Confident | 83 Ų | 83 | 88.5 Ų | 88.5 | 43% | 0.426 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 176.4 | -73 | 164.8 | 0 | 0 | 0 | 111.2 | Y1135 K1136 L1142 K1143 | Y1135-I1139 WeakPolarHBondContact O-CB 3.31Å; Y1135-I1139 VanDerWaalsContact O-CG1 3.24Å; Y1135-I1139 WeakPolarHBondContact O-CG1 3.43Å; Y1135-I1139 PolarHBondContact O-N 3.08Å; K1136-I1139 PolarHBondContact O-N 3.26Å; K1136-I1139 VanDerWaalsContact O-N 3.15Å; I1139-L1142 CarbonylContact O-C 3.59Å; I1139-L1142 PolarHBondContact O-N 3.19Å; I1139-K1143 HydrophobicContact CG2-CD 4.28Å; I1139-K1143 WeakPolarHBondContact O-CG 3.4Å; I1139-K1143 PolarHBondContact O-N 2.75Å |
| 1140 | D | 73.6 | Confident | 73.4 | Confident | 71 Ų | 71 | 84.8 Ų | 84.8 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | -180 | -69.5 | -27.8 | 0 | 0 | 0 | 111.1 | K1136 V1137 K1143 A1144 | K1136-D1140 WeakPolarHBondContact CE-OD2 3.44Å; K1136-D1140 WeakPolarHBondContact CG-OD2 3.49Å; K1136-D1140 WeakPolarHBondContact O-CB 3.47Å; K1136-D1140 PolarHBondContact O-N 2.78Å; V1137-D1140 PolarHBondContact O-N 2.92Å; D1140-K1143 PolarHBondContact O-N 3.36Å; D1140-A1144 PolarHBondContact O-N 2.91Å |
| 1141 | Q | 76.8 | Confident | 73.1 | Confident | 105 Ų | 105 | 83.6 Ų | 83.6 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 168.6 | -177.3 | 58.9 | 49.2 | 0 | 0 | 111.7 | V1137 K1143 A1144 D1145 | V1137-Q1141 WeakPolarHBondContact O-CB 3.34Å; V1137-Q1141 PolarHBondContact O-N 3.42Å; Q1141-K1143 VanDerWaalsContact C-N 3.31Å; Q1141-K1143 PolarHBondContact O-N 3.47Å; Q1141-A1144 WeakPolarHBondContact O-CB 3.37Å; Q1141-A1144 PolarHBondContact O-N 2.83Å; Q1141-A1144 VanDerWaalsContact O-N 3.17Å; Q1141-D1145 VanDerWaalsContact NE2-CG 3.25Å; Q1141-D1145 PolarHBondContact NE2-OD1 2.83Å; Q1141-D1145 VanDerWaalsContact NE2-OD1 3.13Å; Q1141-D1145 PolarHBondContact NE2-OD2 3.09Å; Q1141-D1145 PolarHBondContact O-N 3.46Å |
| 1142 | L | 69.7 | Low | 72.8 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.2 | -35.2 | 174.5 | -77.3 | 166.1 | 0 | 0 | 0 | 112.7 | T1138 I1139 K1146 I1194 | T1138-L1142 HydrophobicContact CG2-CD1 4.27Å; T1138-L1142 WeakPolarHBondContact O-CB 3.39Å; T1138-L1142 WeakPolarHBondContact O-CD1 3.49Å; T1138-L1142 VanDerWaalsContact O-CG 3.25Å; T1138-L1142 WeakPolarHBondContact O-CG 3.46Å; T1138-L1142 PolarHBondContact O-N 3.38Å; I1139-L1142 CarbonylContact O-C 3.59Å; I1139-L1142 PolarHBondContact O-N 3.19Å; L1142-K1146 WeakPolarHBondContact O-CB 3.24Å; L1142-K1146 PolarHBondContact O-N 3.4Å; L1142-I1194 HydrophobicContact CD2-CD1 3.69Å; L1142-I1194 HydrophobicContact CD2-CG1 4.29Å; L1142-I1194 HydrophobicContact CD2-CG2 4.17Å |
| 1143 | K | 74.4 | Confident | 72.7 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 172.5 | -75.3 | 175.6 | -173.9 | 177 | 0 | 110.9 | E987 I1139 D1140 Q1141 K1146 I1147 | E987-K1143 IonicContact OE1-NZ 2.74Å; E987-K1143 PolarHBondContact OE1-NZ 2.79Å; E987-K1143 IonicContact OE2-NZ 3.1Å; E987-K1143 PolarHBondContact OE2-NZ 3.49Å; I1139-K1143 HydrophobicContact CG2-CD 4.28Å; I1139-K1143 WeakPolarHBondContact O-CG 3.4Å; I1139-K1143 PolarHBondContact O-N 2.75Å; D1140-K1143 PolarHBondContact O-N 3.36Å; Q1141-K1143 VanDerWaalsContact C-N 3.31Å; Q1141-K1143 PolarHBondContact O-N 3.47Å; K1143-K1146 PolarHBondContact O-N 2.87Å; K1143-I1147 VanDerWaalsContact O-CG1 3.28Å; K1143-I1147 WeakPolarHBondContact O-CG1 3.22Å; K1143-I1147 PolarHBondContact O-N 2.73Å |
| 1144 | A | 76.7 | Confident | 72.2 | Confident | 44 Ų | 44 | 83.8 Ų | 83.8 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1140 Q1141 I1147 N1148 | D1140-A1144 PolarHBondContact O-N 2.91Å; Q1141-A1144 WeakPolarHBondContact O-CB 3.37Å; Q1141-A1144 PolarHBondContact O-N 2.83Å; Q1141-A1144 VanDerWaalsContact O-N 3.17Å; A1144-I1147 PolarHBondContact O-N 2.78Å; A1144-N1148 PolarHBondContact O-N 3.14Å |
| 1145 | D | 72 | Confident | 71.9 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 19% | 0.193 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 177.5 | -69.6 | -31.6 | 0 | 0 | 0 | 111.8 | Q1141 N1148 A1149 | Q1141-D1145 VanDerWaalsContact NE2-CG 3.25Å; Q1141-D1145 PolarHBondContact NE2-OD1 2.83Å; Q1141-D1145 VanDerWaalsContact NE2-OD1 3.13Å; Q1141-D1145 PolarHBondContact NE2-OD2 3.09Å; Q1141-D1145 PolarHBondContact O-N 3.46Å; D1145-N1148 PolarHBondContact O-N 2.86Å; D1145-A1149 WeakPolarHBondContact O-CB 3.31Å; D1145-A1149 PolarHBondContact O-N 3.42Å |
| 1146 | K | 75.5 | Confident | 71.4 | Confident | 142 Ų | 142 | 81.9 Ų | 81.9 | 62% | 0.617 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 170 | 178 | 179.8 | 177.2 | -179.5 | 0 | 112.2 | L1142 K1143 A1149 I1150 | L1142-K1146 WeakPolarHBondContact O-CB 3.24Å; L1142-K1146 PolarHBondContact O-N 3.4Å; K1143-K1146 PolarHBondContact O-N 2.87Å; K1146-A1149 PolarHBondContact O-N 2.84Å; K1146-I1150 HydrophobicContact CG-CD1 3.9Å; K1146-I1150 WeakPolarHBondContact O-CB 3.2Å; K1146-I1150 VanDerWaalsContact O-CG1 3.26Å; K1146-I1150 WeakPolarHBondContact O-CG1 3.31Å; K1146-I1150 PolarHBondContact O-N 3.21Å |
| 1147 | I | 76.1 | Confident | 70.5 | Confident | 98 Ų | 98 | 77.8 Ų | 77.8 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.7 | -71.5 | 165.4 | 0 | 0 | 0 | 110.6 | K1143 A1144 I1150 N1151 | K1143-I1147 VanDerWaalsContact O-CG1 3.28Å; K1143-I1147 WeakPolarHBondContact O-CG1 3.22Å; K1143-I1147 PolarHBondContact O-N 2.73Å; A1144-I1147 PolarHBondContact O-N 2.78Å; I1147-I1150 PolarHBondContact O-N 2.74Å; I1147-N1151 WeakPolarHBondContact O-CB 3.33Å; I1147-N1151 VanDerWaalsContact O-CG 3.23Å; I1147-N1151 PolarHBondContact O-N 3.12Å; I1147-N1151 PolarHBondContact O-ND2 3.17Å |
| 1148 | N | 73.7 | Confident | 69.5 | Low | 94 Ų | 94 | 74 Ų | 74 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 172.9 | -92.7 | -28.6 | 0 | 0 | 0 | 112.2 | A1144 D1145 N1151 M1152 | A1144-N1148 PolarHBondContact O-N 3.14Å; D1145-N1148 PolarHBondContact O-N 2.86Å; N1148-N1151 PolarHBondContact O-N 3.3Å; N1148-M1152 WeakPolarHBondContact O-CG 3.33Å; N1148-M1152 PolarHBondContact O-N 2.92Å |
| 1149 | A | 65.5 | Low | 68.8 | Low | 21 Ų | 21 | 77.4 Ų | 77.4 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1145 K1146 N1151 M1152 I1153 L1187 | D1145-A1149 WeakPolarHBondContact O-CB 3.31Å; D1145-A1149 PolarHBondContact O-N 3.42Å; K1146-A1149 PolarHBondContact O-N 2.84Å; A1149-N1151 VanDerWaalsContact C-N 3.34Å; A1149-N1151 PolarHBondContact O-N 3.41Å; A1149-M1152 PolarHBondContact O-N 2.91Å; A1149-I1153 VanDerWaalsContact O-CG1 3.28Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.31Å; A1149-I1153 PolarHBondContact O-N 3.44Å; A1149-L1187 HydrophobicContact CB-CD1 4.36Å; A1149-L1187 HydrophobicContact CB-CD2 4.26Å |
| 1150 | I | 69.8 | Low | 68 | Low | 70 Ų | 70 | 78.3 Ų | 78.3 | 36% | 0.359 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.3 | -71.4 | 167.4 | 0 | 0 | 0 | 111.4 | K1146 I1147 I1153 K1154 | K1146-I1150 HydrophobicContact CG-CD1 3.9Å; K1146-I1150 WeakPolarHBondContact O-CB 3.2Å; K1146-I1150 VanDerWaalsContact O-CG1 3.26Å; K1146-I1150 WeakPolarHBondContact O-CG1 3.31Å; K1146-I1150 PolarHBondContact O-N 3.21Å; I1147-I1150 PolarHBondContact O-N 2.74Å; I1150-I1153 PolarHBondContact O-N 3.29Å; I1150-K1154 HydrophobicContact CG2-CD 4.29Å; I1150-K1154 WeakPolarHBondContact O-CG 3.25Å; I1150-K1154 PolarHBondContact O-N 3.41Å |
| 1151 | N | 71.4 | Confident | 66.9 | Low | 73 Ų | 73 | 83.2 Ų | 83.2 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.3 | -72.1 | -18.4 | 0 | 0 | 0 | 111.6 | I1147 N1148 A1149 I1153 K1154 E1155 | I1147-N1151 WeakPolarHBondContact O-CB 3.33Å; I1147-N1151 VanDerWaalsContact O-CG 3.23Å; I1147-N1151 PolarHBondContact O-N 3.12Å; I1147-N1151 PolarHBondContact O-ND2 3.17Å; N1148-N1151 PolarHBondContact O-N 3.3Å; A1149-N1151 VanDerWaalsContact C-N 3.34Å; A1149-N1151 PolarHBondContact O-N 3.41Å; N1151-I1153 VanDerWaalsContact C-N 3.34Å; N1151-I1153 PolarHBondContact O-N 2.87Å; N1151-K1154 PolarHBondContact O-N 2.87Å; N1151-E1155 PolarHBondContact O-N 3.4Å |
| 1152 | M | 64.9 | Low | 65.8 | Low | 40 Ų | 40 | 84.7 Ų | 84.7 | 20% | 0.197 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 171.4 | -73.4 | -171.7 | -73 | 0 | 0 | 111.7 | N1148 A1149 K1154 E1155 L1156 N1183 L1187 | N1148-M1152 WeakPolarHBondContact O-CG 3.33Å; N1148-M1152 PolarHBondContact O-N 2.92Å; A1149-M1152 PolarHBondContact O-N 2.91Å; M1152-K1154 VanDerWaalsContact C-N 3.34Å; M1152-K1154 PolarHBondContact O-N 3.27Å; M1152-E1155 PolarHBondContact O-N 3.41Å; M1152-L1156 WeakPolarHBondContact O-CG 3.27Å; M1152-L1156 PolarHBondContact O-N 2.95Å; M1152-N1183 HydrophobicContact SD-CB 3.82Å; M1152-L1187 HydrophobicContact CE-CD1 4.34Å; M1152-L1187 HydrophobicContact CE-CD2 4.3Å |
| 1153 | I | 66.9 | Low | 65.3 | Low | 108 Ų | 108 | 83.1 Ų | 83.1 | 55% | 0.554 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.1 | -36.7 | 174.8 | -67.6 | 164.1 | 0 | 0 | 0 | 111.6 | A1149 I1150 N1151 E1155 L1156 | A1149-I1153 VanDerWaalsContact O-CG1 3.28Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.31Å; A1149-I1153 PolarHBondContact O-N 3.44Å; I1150-I1153 PolarHBondContact O-N 3.29Å; N1151-I1153 VanDerWaalsContact C-N 3.34Å; N1151-I1153 PolarHBondContact O-N 2.87Å; I1153-E1155 VanDerWaalsContact C-N 3.33Å; I1153-E1155 PolarHBondContact O-N 2.97Å; I1153-L1156 WeakPolarHBondContact O-CB 3.48Å; I1153-L1156 PolarHBondContact O-N 2.84Å |
| 1154 | K | 66 | Low | 64.4 | Low | 136 Ų | 136 | 85 Ų | 85 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.8 | -31.5 | 174.5 | -77.6 | 175.1 | 178.4 | 177.5 | 0 | 113 | I1150 N1151 M1152 L1156 A1157 | I1150-K1154 HydrophobicContact CG2-CD 4.29Å; I1150-K1154 WeakPolarHBondContact O-CG 3.25Å; I1150-K1154 PolarHBondContact O-N 3.41Å; N1151-K1154 PolarHBondContact O-N 2.87Å; M1152-K1154 VanDerWaalsContact C-N 3.34Å; M1152-K1154 PolarHBondContact O-N 3.27Å; K1154-L1156 VanDerWaalsContact C-N 3.26Å; K1154-L1156 PolarHBondContact O-N 2.82Å; K1154-A1157 WeakPolarHBondContact O-CB 3.35Å; K1154-A1157 PolarHBondContact O-N 3.18Å |
| 1155 | E | 65.1 | Low | 63.7 | Low | 106 Ų | 106 | 86.3 Ų | 86.3 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.7 | -18.6 | 173.7 | -72 | -176.6 | 149.2 | 0 | 0 | 113.2 | N1151 M1152 I1153 A1157 K1180 | N1151-E1155 PolarHBondContact O-N 3.4Å; M1152-E1155 PolarHBondContact O-N 3.41Å; I1153-E1155 VanDerWaalsContact C-N 3.33Å; I1153-E1155 PolarHBondContact O-N 2.97Å; E1155-A1157 PolarHBondContact O-N 2.78Å; E1155-K1180 IonicContact OE1-NZ 3.43Å; E1155-K1180 WeakPolarHBondContact OE2-CE 3.42Å; E1155-K1180 IonicContact OE2-NZ 3.18Å; E1155-K1180 PolarHBondContact OE2-NZ 2.75Å |
| 1156 | L | 60.1 | Low | 63.1 | Low | 37 Ų | 37 | 90.9 Ų | 90.9 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.5 | 170.7 | -57.5 | 166.3 | 0 | 0 | 0 | 113.2 | M1152 I1153 K1154 W1172 I1176 F1184 | M1152-L1156 WeakPolarHBondContact O-CG 3.27Å; M1152-L1156 PolarHBondContact O-N 2.95Å; I1153-L1156 WeakPolarHBondContact O-CB 3.48Å; I1153-L1156 PolarHBondContact O-N 2.84Å; K1154-L1156 VanDerWaalsContact C-N 3.26Å; K1154-L1156 PolarHBondContact O-N 2.82Å; L1156-W1172 VanDerWaalsContact O-CH2 3.32Å; L1156-W1172 WeakPolarHBondContact O-CH2 3.49Å; L1156-I1176 HydrophobicContact CD2-CG2 3.9Å; L1156-F1184 HydrophobicContact CD1-CZ 3.91Å; L1156-F1184 HydrophobicContact CD2-CZ 4.37Å |
| 1157 | A | 59.6 | Low | 62.8 | Low | 48 Ų | 48 | 88.4 Ų | 88.4 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -86.3 | 126.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K1154 E1155 Q1159 | K1154-A1157 WeakPolarHBondContact O-CB 3.35Å; K1154-A1157 PolarHBondContact O-N 3.18Å; E1155-A1157 PolarHBondContact O-N 2.78Å; A1157-Q1159 PolarHBondContact O-N 3.4Å; A1157-Q1159 VanDerWaalsContact O-N 3.13Å |
| 1158 | P | 56.1 | Low | 62.5 | Low | 24 Ų | 24 | 87.3 Ų | 87.3 | 16% | 0.156 | 47% | 0.471 | C | S | . | . | trans | -66.1 | 119.8 | -177.3 | 15.1 | -20.3 | 0 | 0 | 0 | 111.6 | R517 L1163 Y1169 W1172 | R517-P1158 PolarHBondContact NH2-O 3.39Å; P1158-L1163 HydrophobicContact CB-CD1 3.59Å; P1158-L1163 HydrophobicContact CG-CD1 4.31Å; P1158-Y1169 HydrophobicContact CG-CE1 4.23Å; P1158-Y1169 HydrophobicContact CG-CE2 3.88Å; P1158-Y1169 WeakPolarHBondContact CG-OH 3.43Å; P1158-W1172 VanDerWaalsContact CA-CZ2 3.47Å; P1158-W1172 HydrophobicContact CB-CD2 4.34Å; P1158-W1172 HydrophobicContact CB-CE3 4.07Å; P1158-W1172 HydrophobicContact CB-CH2 3.62Å; P1158-W1172 HydrophobicContact CB-CZ2 3.84Å; P1158-W1172 HydrophobicContact CB-CZ3 3.72Å; P1158-W1172 HydrophobicContact CG-CE3 4.41Å; P1158-W1172 HydrophobicContact CG-CH2 4.04Å; P1158-W1172 HydrophobicContact CG-CZ3 3.84Å; P1158-W1172 VanDerWaalsContact N-CH2 3.29Å | ||
| 1159 | Q | 58.7 | Low | 62 | Low | 147 Ų | 147 | 88 Ų | 88 | 69% | 0.687 | 47% | 0.468 | S | S | * | . | trans | -80.8 | -27.1 | 173.3 | -68.5 | -74.8 | -8.2 | 0 | 0 | 111.9 | A1157 | A1157-Q1159 PolarHBondContact O-N 3.4Å; A1157-Q1159 VanDerWaalsContact O-N 3.13Å | ||
| 1160 | N | 54.3 | Low | 62.2 | Low | 102 Ų | 102 | 89.8 Ų | 89.8 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | trans | -83.6 | 125.9 | -175.7 | -68.2 | -6.9 | 0 | 0 | 0 | 111.9 | D1162 | N1160-D1162 PolarHBondContact O-N 3.39Š| ||
| 1161 | E | 52.3 | Low | 62.4 | Low | 175 Ų | 175 | 88.5 Ų | 88.5 | 82% | 0.818 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15 | 175.7 | -62.2 | -175.9 | 144.9 | 0 | 0 | 113 | L1163 | E1161-L1163 VanDerWaalsContact C-N 3.34Å; E1161-L1163 PolarHBondContact O-N 3.49Å |
| 1162 | D | 53.5 | Low | 62.6 | Low | 136 Ų | 136 | 87.2 Ų | 87.2 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 8.3 | -172.3 | -62.8 | -38.2 | 0 | 0 | 0 | 115.4 | N1160 C1164 | N1160-D1162 PolarHBondContact O-N 3.39Å; D1162-C1164 PolarHBondContact O-N 3.27Å |
| 1163 | L | 58.4 | Low | 62.7 | Low | 37 Ų | 37 | 89.6 Ų | 89.6 | 19% | 0.194 | 48% | 0.477 | C | S | . | . | trans | -77.2 | 72.3 | 177.6 | -64.4 | 174.7 | 0 | 0 | 0 | 111 | P1158 E1161 D1168 Y1169 W1172 | P1158-L1163 HydrophobicContact CB-CD1 3.59Å; P1158-L1163 HydrophobicContact CG-CD1 4.31Å; E1161-L1163 VanDerWaalsContact C-N 3.34Å; E1161-L1163 PolarHBondContact O-N 3.49Å; L1163-D1168 HydrophobicContact CD2-CB 4.09Å; L1163-Y1169 HydrophobicContact CB-CD2 3.83Å; L1163-Y1169 HydrophobicContact CD1-CD2 3.81Å; L1163-Y1169 HydrophobicContact CD1-CE2 4.11Å; L1163-Y1169 HydrophobicContact CD1-CG 4.33Å; L1163-Y1169 HydrophobicContact CG-CD2 4.45Å; L1163-W1172 HydrophobicContact CD1-CB 4.24Å; L1163-W1172 HydrophobicContact CD1-CD2 3.97Å; L1163-W1172 HydrophobicContact CD1-CE3 4.15Å; L1163-W1172 HydrophobicContact CD1-CG 4Å; L1163-W1172 HydrophobicContact CD2-CB 3.74Å; L1163-W1172 HydrophobicContact CD2-CG 4.08Å | ||
| 1164 | C | 55.2 | Low | 63 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 75% | 0.75 | 47% | 0.466 | S | S | * | . | trans | -76.4 | -23.1 | -169.5 | -65.3 | 0 | 0 | 0 | 0 | 115.4 | D1162 | D1162-C1164 PolarHBondContact O-N 3.27Š| ||
| 1165 | T | 63.3 | Low | 63.4 | Low | 72 Ų | 72 | 82.9 Ų | 82.9 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -121 | 155.8 | 176.1 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | S1167 D1168 Y1169 | T1165-S1167 PolarHBondContact O-N 3.31Å; T1165-S1167 PolarHBondContact OG1-N 2.8Å; T1165-D1168 WeakPolarHBondContact CB-OD2 3.37Å; T1165-D1168 PolarHBondContact N-OD2 2.97Å; T1165-D1168 WeakPolarHBondContact O-CB 3.39Å; T1165-D1168 PolarHBondContact O-N 2.9Å; T1165-D1168 PolarHBondContact OG1-N 3.09Å; T1165-D1168 VanDerWaalsContact OG1-N 3.14Å; T1165-D1168 PolarHBondContact OG1-OD2 3.19Å; T1165-Y1169 PolarHBondContact O-N 2.75Å |
| 1166 | L | 57.9 | Low | 63.7 | Low | 131 Ų | 131 | 79.3 Ų | 79.3 | 69% | 0.686 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -56.9 | -32.2 | 172.2 | -173.6 | 67.4 | 0 | 0 | 0 | 111.5 | Y1169 I1170 | L1166-Y1169 PolarHBondContact O-N 3.29Å; L1166-I1170 HydrophobicContact CD1-CD1 4.45Å; L1166-I1170 HydrophobicContact CD2-CD1 4.42Å; L1166-I1170 HydrophobicContact CG-CD1 3.9Å; L1166-I1170 HydrophobicContact CG-CG1 4.45Å; L1166-I1170 WeakPolarHBondContact O-CB 3.43Å; L1166-I1170 VanDerWaalsContact O-CG1 3.23Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.34Å; L1166-I1170 PolarHBondContact O-N 3.36Å |
| 1167 | S | 70 | Confident | 64 | Low | 91 Ų | 91 | 81.3 Ų | 81.3 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.9 | -39.6 | 174.5 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | T1165 G1171 | T1165-S1167 PolarHBondContact O-N 3.31Å; T1165-S1167 PolarHBondContact OG1-N 2.8Å; S1167-G1171 PolarHBondContact O-N 2.67Å |
| 1168 | D | 68.9 | Low | 64.7 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 40% | 0.401 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.4 | -55.5 | -51.7 | 0 | 0 | 0 | 110.6 | L1163 T1165 G1171 W1172 | L1163-D1168 HydrophobicContact CD2-CB 4.09Å; T1165-D1168 WeakPolarHBondContact CB-OD2 3.37Å; T1165-D1168 PolarHBondContact N-OD2 2.97Å; T1165-D1168 WeakPolarHBondContact O-CB 3.39Å; T1165-D1168 PolarHBondContact O-N 2.9Å; T1165-D1168 PolarHBondContact OG1-N 3.09Å; T1165-D1168 VanDerWaalsContact OG1-N 3.14Å; T1165-D1168 PolarHBondContact OG1-OD2 3.19Å; D1168-G1171 PolarHBondContact O-N 3.28Å; D1168-W1172 VanDerWaalsContact O-CB 3.27Å; D1168-W1172 WeakPolarHBondContact O-CB 3.48Å; D1168-W1172 PolarHBondContact O-N 3.28Å |
| 1169 | Y | 64.1 | Low | 65.4 | Low | 109 Ų | 109 | 88.6 Ų | 88.6 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 178.4 | -146.7 | -79.2 | 0 | 0 | 0 | 111.9 | P1158 L1163 T1165 L1166 F1173 | P1158-Y1169 HydrophobicContact CG-CE1 4.23Å; P1158-Y1169 HydrophobicContact CG-CE2 3.88Å; P1158-Y1169 WeakPolarHBondContact CG-OH 3.43Å; L1163-Y1169 HydrophobicContact CB-CD2 3.83Å; L1163-Y1169 HydrophobicContact CD1-CD2 3.81Å; L1163-Y1169 HydrophobicContact CD1-CE2 4.11Å; L1163-Y1169 HydrophobicContact CD1-CG 4.33Å; L1163-Y1169 HydrophobicContact CG-CD2 4.45Å; T1165-Y1169 PolarHBondContact O-N 2.75Å; L1166-Y1169 PolarHBondContact O-N 3.29Å; Y1169-F1173 WeakPolarHBondContact O-CB 3.46Å; Y1169-F1173 PolarHBondContact O-N 3.17Å |
| 1170 | I | 69.3 | Low | 66 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 29% | 0.292 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 173.4 | -71 | 167.6 | 0 | 0 | 0 | 110.4 | L1069 L1166 W1172 F1173 I1174 | L1069-I1170 HydrophobicContact CD2-CD1 4.32Å; L1166-I1170 HydrophobicContact CD1-CD1 4.45Å; L1166-I1170 HydrophobicContact CD2-CD1 4.42Å; L1166-I1170 HydrophobicContact CG-CD1 3.9Å; L1166-I1170 HydrophobicContact CG-CG1 4.45Å; L1166-I1170 WeakPolarHBondContact O-CB 3.43Å; L1166-I1170 VanDerWaalsContact O-CG1 3.23Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.34Å; L1166-I1170 PolarHBondContact O-N 3.36Å; I1170-W1172 PolarHBondContact O-N 3.01Å; I1170-F1173 PolarHBondContact O-N 2.9Å; I1170-I1174 HydrophobicContact CG2-CD1 3.64Å; I1170-I1174 HydrophobicContact CG2-CG1 4.35Å; I1170-I1174 WeakPolarHBondContact O-CB 3.22Å; I1170-I1174 VanDerWaalsContact O-CG1 3.27Å; I1170-I1174 WeakPolarHBondContact O-CG1 3.3Å; I1170-I1174 PolarHBondContact O-N 2.97Å |
| 1171 | G | 73.6 | Confident | 66.9 | Low | 43 Ų | 43 | 82.4 Ų | 82.4 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1167 D1168 G1175 | S1167-G1171 PolarHBondContact O-N 2.67Å; D1168-G1171 PolarHBondContact O-N 3.28Å; G1171-G1175 PolarHBondContact O-N 3.38Å |
| 1172 | W | 76 | Confident | 67.7 | Low | 47 Ų | 47 | 77.9 Ų | 77.9 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 174 | 176.2 | 82.3 | 0 | 0 | 0 | 112 | L1156 P1158 L1163 D1168 I1170 G1175 I1176 | L1156-W1172 VanDerWaalsContact O-CH2 3.32Å; L1156-W1172 WeakPolarHBondContact O-CH2 3.49Å; P1158-W1172 VanDerWaalsContact CA-CZ2 3.47Å; P1158-W1172 HydrophobicContact CB-CD2 4.34Å; P1158-W1172 HydrophobicContact CB-CE3 4.07Å; P1158-W1172 HydrophobicContact CB-CH2 3.62Å; P1158-W1172 HydrophobicContact CB-CZ2 3.84Å; P1158-W1172 HydrophobicContact CB-CZ3 3.72Å; P1158-W1172 HydrophobicContact CG-CE3 4.41Å; P1158-W1172 HydrophobicContact CG-CH2 4.04Å; P1158-W1172 HydrophobicContact CG-CZ3 3.84Å; P1158-W1172 VanDerWaalsContact N-CH2 3.29Å; L1163-W1172 HydrophobicContact CD1-CB 4.24Å; L1163-W1172 HydrophobicContact CD1-CD2 3.97Å; L1163-W1172 HydrophobicContact CD1-CE3 4.15Å; L1163-W1172 HydrophobicContact CD1-CG 4Å; L1163-W1172 HydrophobicContact CD2-CB 3.74Å; L1163-W1172 HydrophobicContact CD2-CG 4.08Å; D1168-W1172 VanDerWaalsContact O-CB 3.27Å; D1168-W1172 WeakPolarHBondContact O-CB 3.48Å; D1168-W1172 PolarHBondContact O-N 3.28Å; I1170-W1172 PolarHBondContact O-N 3.01Å; W1172-G1175 PolarHBondContact O-N 3.3Å; W1172-G1175 VanDerWaalsContact O-N 3.16Å; W1172-I1176 HydrophobicContact CD2-CD1 4.5Å; W1172-I1176 HydrophobicContact CH2-CD1 4.02Å; W1172-I1176 HydrophobicContact CZ2-CD1 3.26Å; W1172-I1176 HydrophobicContact CZ2-CG1 4.21Å; W1172-I1176 PolarHBondContact O-N 3.49Å |
| 1173 | F | 68.1 | Low | 68.5 | Low | 90 Ų | 90 | 74.7 Ų | 74.7 | 40% | 0.395 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.4 | -164.9 | -90.3 | 0 | 0 | 0 | 111.6 | Y1169 I1170 G1175 I1176 F1177 | Y1169-F1173 WeakPolarHBondContact O-CB 3.46Å; Y1169-F1173 PolarHBondContact O-N 3.17Å; I1170-F1173 PolarHBondContact O-N 2.9Å; F1173-G1175 VanDerWaalsContact C-N 3.27Å; F1173-G1175 PolarHBondContact O-N 3Å; F1173-I1176 PolarHBondContact O-N 3.22Å; F1173-F1177 AromaticContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CZ-CD2 4.4Å; F1173-F1177 WeakPolarHBondContact O-CB 3.49Å; F1173-F1177 PolarHBondContact O-N 3.16Å |
| 1174 | I | 73.4 | Confident | 68.9 | Low | 63 Ų | 63 | 75.8 Ų | 75.8 | 32% | 0.323 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 173.6 | -67.7 | 167.6 | 0 | 0 | 0 | 110.9 | L1072 I1170 N1178 | L1072-I1174 HydrophobicContact CD1-CD1 3.86Å; L1072-I1174 HydrophobicContact CD1-CG1 3.98Å; I1170-I1174 HydrophobicContact CG2-CD1 3.64Å; I1170-I1174 HydrophobicContact CG2-CG1 4.35Å; I1170-I1174 WeakPolarHBondContact O-CB 3.22Å; I1170-I1174 VanDerWaalsContact O-CG1 3.27Å; I1170-I1174 WeakPolarHBondContact O-CG1 3.3Å; I1170-I1174 PolarHBondContact O-N 2.97Å; I1174-N1178 WeakPolarHBondContact CG2-ND2 3.47Å; I1174-N1178 WeakPolarHBondContact O-CB 3.27Å; I1174-N1178 VanDerWaalsContact O-CG 3.3Å; I1174-N1178 PolarHBondContact O-N 3.3Å; I1174-N1178 VanDerWaalsContact O-N 3.12Å; I1174-N1178 PolarHBondContact O-ND2 2.95Å |
| 1175 | G | 73.3 | Confident | 69.8 | Low | 39 Ų | 39 | 75.1 Ų | 75.1 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.9 | -55.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1171 W1172 F1173 E1179 | G1171-G1175 PolarHBondContact O-N 3.38Å; W1172-G1175 PolarHBondContact O-N 3.3Å; W1172-G1175 VanDerWaalsContact O-N 3.16Å; F1173-G1175 VanDerWaalsContact C-N 3.27Å; F1173-G1175 PolarHBondContact O-N 3Å; G1175-E1179 PolarHBondContact O-N 3.11Å; G1175-E1179 VanDerWaalsContact O-N 3.16Å |
| 1176 | I | 71.4 | Confident | 70.2 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 16% | 0.164 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70 | -36.9 | -179.6 | -62.3 | -158.7 | 0 | 0 | 0 | 111.9 | L1156 W1172 F1173 N1178 E1179 K1180 | L1156-I1176 HydrophobicContact CD2-CG2 3.9Å; W1172-I1176 HydrophobicContact CD2-CD1 4.5Å; W1172-I1176 HydrophobicContact CH2-CD1 4.02Å; W1172-I1176 HydrophobicContact CZ2-CD1 3.26Å; W1172-I1176 HydrophobicContact CZ2-CG1 4.21Å; W1172-I1176 PolarHBondContact O-N 3.49Å; F1173-I1176 PolarHBondContact O-N 3.22Å; I1176-N1178 VanDerWaalsContact C-N 3.34Å; I1176-N1178 PolarHBondContact O-N 3.39Å; I1176-E1179 PolarHBondContact O-N 3.03Å; I1176-E1179 VanDerWaalsContact O-N 3.13Å; I1176-K1180 HydrophobicContact CG2-CG 3.96Å; I1176-K1180 WeakPolarHBondContact O-CB 3.47Å; I1176-K1180 WeakPolarHBondContact O-CG 3.35Å; I1176-K1180 PolarHBondContact O-N 3.33Å |
| 1177 | F | 66.4 | Low | 70.7 | Confident | 78 Ų | 78 | 73 Ų | 73 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 179 | -160.6 | -87.9 | 0 | 0 | 0 | 111.3 | F1173 E1179 K1180 Q1181 F1184 | F1173-F1177 AromaticContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CZ-CD2 4.4Å; F1173-F1177 WeakPolarHBondContact O-CB 3.49Å; F1173-F1177 PolarHBondContact O-N 3.16Å; F1177-E1179 PolarHBondContact O-N 3.3Å; F1177-K1180 PolarHBondContact O-N 3.43Å; F1177-Q1181 PolarHBondContact O-N 2.9Å; F1177-F1184 HydrophobicContact CD2-CE2 4.36Å; F1177-F1184 HydrophobicContact CE2-CE2 4.22Å |
| 1178 | N | 74.7 | Confident | 70.9 | Confident | 99 Ų | 99 | 74.3 Ų | 74.3 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 173.7 | -73 | -44 | 0 | 0 | 0 | 112.8 | I1174 I1176 K1180 | I1174-N1178 WeakPolarHBondContact CG2-ND2 3.47Å; I1174-N1178 WeakPolarHBondContact O-CB 3.27Å; I1174-N1178 VanDerWaalsContact O-CG 3.3Å; I1174-N1178 PolarHBondContact O-N 3.3Å; I1174-N1178 VanDerWaalsContact O-N 3.12Å; I1174-N1178 PolarHBondContact O-ND2 2.95Å; I1176-N1178 VanDerWaalsContact C-N 3.34Å; I1176-N1178 PolarHBondContact O-N 3.39Å; N1178-K1180 VanDerWaalsContact C-N 3.33Å |
| 1179 | E | 71.4 | Confident | 71.1 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 59% | 0.593 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.5 | -28 | 176.6 | -171.5 | 170.6 | -152.5 | 0 | 0 | 112.8 | G1175 I1176 F1177 | G1175-E1179 PolarHBondContact O-N 3.11Å; G1175-E1179 VanDerWaalsContact O-N 3.16Å; I1176-E1179 PolarHBondContact O-N 3.03Å; I1176-E1179 VanDerWaalsContact O-N 3.13Å; F1177-E1179 PolarHBondContact O-N 3.3Å |
| 1180 | K | 69.8 | Low | 71.4 | Confident | 43 Ų | 43 | 75.3 Ų | 75.3 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -99.8 | -5.4 | -179.4 | -62.9 | -69 | 177.6 | 172.3 | 0 | 114.4 | E1155 I1176 F1177 N1178 C1182 N1183 F1184 | E1155-K1180 IonicContact OE1-NZ 3.43Å; E1155-K1180 WeakPolarHBondContact OE2-CE 3.42Å; E1155-K1180 IonicContact OE2-NZ 3.18Å; E1155-K1180 PolarHBondContact OE2-NZ 2.75Å; I1176-K1180 HydrophobicContact CG2-CG 3.96Å; I1176-K1180 WeakPolarHBondContact O-CB 3.47Å; I1176-K1180 WeakPolarHBondContact O-CG 3.35Å; I1176-K1180 PolarHBondContact O-N 3.33Å; F1177-K1180 PolarHBondContact O-N 3.43Å; N1178-K1180 VanDerWaalsContact C-N 3.33Å; K1180-C1182 PolarHBondContact O-N 3.29Å; K1180-N1183 WeakPolarHBondContact O-CA 3.43Å; K1180-N1183 WeakPolarHBondContact O-CB 3.45Å; K1180-N1183 PolarHBondContact O-N 3.27Å; K1180-F1184 HydrophobicContact CB-CD2 4.25Å; K1180-F1184 HydrophobicContact CB-CE2 3.84Å; K1180-F1184 WeakPolarHBondContact O-CD2 3.39Å; K1180-F1184 PolarHBondContact O-N 2.92Å |
| 1181 | Q | 73.8 | Confident | 71.4 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -51.5 | -49.3 | -174.3 | -172.4 | 167.3 | -1.1 | 0 | 0 | 113.5 | F1177 N1183 F1184 E1185 | F1177-Q1181 PolarHBondContact O-N 2.9Å; Q1181-N1183 PolarHBondContact O-N 2.96Å; Q1181-N1183 VanDerWaalsContact O-N 3.15Å; Q1181-F1184 WeakPolarHBondContact O-CB 3.44Å; Q1181-F1184 PolarHBondContact O-N 2.85Å; Q1181-E1185 PolarHBondContact O-N 3.43Å |
| 1182 | C | 70.4 | Confident | 71.6 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 54% | 0.541 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -16 | 178.1 | -62.8 | 0 | 0 | 0 | 0 | 114.5 | K1180 N1186 | K1180-C1182 PolarHBondContact O-N 3.29Å; C1182-N1186 PolarHBondContact O-N 3.41Å; C1182-N1186 PolarHBondContact O-ND2 2.87Å |
| 1183 | N | 68.4 | Low | 71.6 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 37% | 0.369 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -83.3 | -32.8 | 172.5 | -58.8 | -42.6 | 0 | 0 | 0 | 111.2 | M1152 K1180 Q1181 N1186 L1187 | M1152-N1183 HydrophobicContact SD-CB 3.82Å; K1180-N1183 WeakPolarHBondContact O-CA 3.43Å; K1180-N1183 WeakPolarHBondContact O-CB 3.45Å; K1180-N1183 PolarHBondContact O-N 3.27Å; Q1181-N1183 PolarHBondContact O-N 2.96Å; Q1181-N1183 VanDerWaalsContact O-N 3.15Å; N1183-N1186 PolarHBondContact O-N 2.78Å; N1183-L1187 PolarHBondContact O-N 3.3Å |
| 1184 | F | 68.7 | Low | 71.5 | Confident | 61 Ų | 61 | 84 Ų | 84 | 27% | 0.268 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 170.3 | -68.7 | -68.5 | 0 | 0 | 0 | 111.6 | L1156 F1177 K1180 Q1181 N1186 L1187 E1188 | L1156-F1184 HydrophobicContact CD1-CZ 3.91Å; L1156-F1184 HydrophobicContact CD2-CZ 4.37Å; F1177-F1184 HydrophobicContact CD2-CE2 4.36Å; F1177-F1184 HydrophobicContact CE2-CE2 4.22Å; K1180-F1184 HydrophobicContact CB-CD2 4.25Å; K1180-F1184 HydrophobicContact CB-CE2 3.84Å; K1180-F1184 WeakPolarHBondContact O-CD2 3.39Å; K1180-F1184 PolarHBondContact O-N 2.92Å; Q1181-F1184 WeakPolarHBondContact O-CB 3.44Å; Q1181-F1184 PolarHBondContact O-N 2.85Å; F1184-N1186 VanDerWaalsContact C-N 3.3Å; F1184-N1186 PolarHBondContact O-N 3.41Å; F1184-L1187 WeakPolarHBondContact O-CB 3.44Å; F1184-L1187 PolarHBondContact O-N 3.19Å; F1184-E1188 PolarHBondContact O-N 3.46Å |
| 1185 | E | 74.1 | Confident | 71.5 | Confident | 96 Ų | 96 | 86.2 Ų | 86.2 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59 | -38.2 | 175.2 | -68.2 | 170.7 | 160.2 | 0 | 0 | 112.3 | Q1181 Q1189 | Q1181-E1185 PolarHBondContact O-N 3.43Å; E1185-Q1189 PolarHBondContact O-N 2.82Å; E1185-Q1189 VanDerWaalsContact O-N 3.1Å |
| 1186 | N | 71 | Confident | 71.7 | Confident | 101 Ų | 101 | 90.3 Ų | 90.3 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.2 | -36.1 | 173.3 | -86.2 | -74.1 | 0 | 0 | 0 | 112.8 | C1182 N1183 F1184 N1190 | C1182-N1186 PolarHBondContact O-N 3.41Å; C1182-N1186 PolarHBondContact O-ND2 2.87Å; N1183-N1186 PolarHBondContact O-N 2.78Å; F1184-N1186 VanDerWaalsContact C-N 3.3Å; F1184-N1186 PolarHBondContact O-N 3.41Å; N1186-N1190 PolarHBondContact O-N 2.78Å; N1186-N1190 VanDerWaalsContact O-N 3.11Å |
| 1187 | L | 68.5 | Low | 71.6 | Confident | 59 Ų | 59 | 92.3 Ų | 92.3 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 176.8 | -169.8 | 68.2 | 0 | 0 | 0 | 111.2 | A1149 M1152 N1183 F1184 N1190 Y1191 | A1149-L1187 HydrophobicContact CB-CD1 4.36Å; A1149-L1187 HydrophobicContact CB-CD2 4.26Å; M1152-L1187 HydrophobicContact CE-CD1 4.34Å; M1152-L1187 HydrophobicContact CE-CD2 4.3Å; N1183-L1187 PolarHBondContact O-N 3.3Å; F1184-L1187 WeakPolarHBondContact O-CB 3.44Å; F1184-L1187 PolarHBondContact O-N 3.19Å; L1187-N1190 PolarHBondContact O-N 2.77Å; L1187-Y1191 WeakPolarHBondContact O-CB 3.37Å; L1187-Y1191 PolarHBondContact O-N 3.31Å |
| 1188 | E | 73 | Confident | 71.7 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 175 | -175.1 | 173.9 | -156.5 | 0 | 0 | 112 | F1184 N1190 Y1191 L1192 | F1184-E1188 PolarHBondContact O-N 3.46Å; E1188-N1190 PolarHBondContact O-N 3.36Å; E1188-Y1191 WeakPolarHBondContact O-CB 3.31Å; E1188-Y1191 PolarHBondContact O-N 3.49Å; E1188-L1192 HydrophobicContact CG-CD1 4.37Å; E1188-L1192 PolarHBondContact O-N 3Å |
| 1189 | Q | 74.6 | Confident | 71.8 | Confident | 134 Ų | 134 | 92.5 Ų | 92.5 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 174.2 | -73.1 | -141.2 | -14.2 | 0 | 0 | 112.9 | E1185 Y1191 L1192 I1193 | E1185-Q1189 PolarHBondContact O-N 2.82Å; E1185-Q1189 VanDerWaalsContact O-N 3.1Å; Q1189-Y1191 VanDerWaalsContact C-N 3.34Å; Q1189-Y1191 PolarHBondContact O-N 3.44Å; Q1189-L1192 PolarHBondContact O-N 3.01Å; Q1189-I1193 WeakPolarHBondContact O-CG1 3.42Å; Q1189-I1193 PolarHBondContact O-N 3.02Å; Q1189-I1193 VanDerWaalsContact O-N 3.1Å |
| 1190 | N | 69.8 | Low | 72 | Confident | 71 Ų | 71 | 91 Ų | 91 | 38% | 0.38 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.1 | -78.2 | -8.7 | 0 | 0 | 0 | 111.6 | N1186 L1187 E1188 I1193 I1194 | N1186-N1190 PolarHBondContact O-N 2.78Å; N1186-N1190 VanDerWaalsContact O-N 3.11Å; L1187-N1190 PolarHBondContact O-N 2.77Å; E1188-N1190 PolarHBondContact O-N 3.36Å; N1190-I1193 PolarHBondContact O-N 3.34Å; N1190-I1194 WeakPolarHBondContact O-CD1 3.41Å; N1190-I1194 VanDerWaalsContact O-CG1 3.31Å; N1190-I1194 WeakPolarHBondContact O-CG1 3.46Å; N1190-I1194 PolarHBondContact O-N 3.34Å |
| 1191 | Y | 70.1 | Confident | 72 | Confident | 152 Ų | 152 | 90.4 Ų | 90.4 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 176.1 | -177.6 | -95.1 | 0 | 0 | 0 | 112.2 | L1187 E1188 Q1189 I1193 I1194 Q1195 | L1187-Y1191 WeakPolarHBondContact O-CB 3.37Å; L1187-Y1191 PolarHBondContact O-N 3.31Å; E1188-Y1191 WeakPolarHBondContact O-CB 3.31Å; E1188-Y1191 PolarHBondContact O-N 3.49Å; Q1189-Y1191 VanDerWaalsContact C-N 3.34Å; Q1189-Y1191 PolarHBondContact O-N 3.44Å; Y1191-I1193 PolarHBondContact O-N 3.04Å; Y1191-I1194 PolarHBondContact O-N 2.75Å; Y1191-Q1195 WeakPolarHBondContact O-CB 3.31Å; Y1191-Q1195 PolarHBondContact O-N 3.05Å |
| 1192 | L | 76.8 | Confident | 71.9 | Confident | 95 Ų | 95 | 90.6 Ų | 90.6 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 175.1 | -104.1 | 132.7 | 0 | 0 | 0 | 112.7 | E1188 Q1189 I1194 Q1195 Q1196 | E1188-L1192 HydrophobicContact CG-CD1 4.37Å; E1188-L1192 PolarHBondContact O-N 3Å; Q1189-L1192 PolarHBondContact O-N 3.01Å; L1192-I1194 PolarHBondContact O-N 3.13Å; L1192-Q1195 PolarHBondContact O-N 3.46Å; L1192-Q1196 WeakPolarHBondContact O-CB 3.44Å; L1192-Q1196 PolarHBondContact O-N 3.35Å |
| 1193 | I | 75.2 | Confident | 72.4 | Confident | 109 Ų | 109 | 91.4 Ų | 91.4 | 56% | 0.559 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177.2 | -67.4 | 165.7 | 0 | 0 | 0 | 111 | Q1189 N1190 Y1191 S1197 | Q1189-I1193 WeakPolarHBondContact O-CG1 3.42Å; Q1189-I1193 PolarHBondContact O-N 3.02Å; Q1189-I1193 VanDerWaalsContact O-N 3.1Å; N1190-I1193 PolarHBondContact O-N 3.34Å; Y1191-I1193 PolarHBondContact O-N 3.04Å; I1193-S1197 PolarHBondContact O-N 2.87Å |
| 1194 | I | 66.7 | Low | 72.7 | Confident | 62 Ų | 62 | 95 Ų | 95 | 32% | 0.318 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.6 | -68.8 | 157.8 | 0 | 0 | 0 | 110.8 | L1142 N1190 Y1191 L1192 Q1196 S1197 L1198 | L1142-I1194 HydrophobicContact CD2-CD1 3.69Å; L1142-I1194 HydrophobicContact CD2-CG1 4.29Å; L1142-I1194 HydrophobicContact CD2-CG2 4.17Å; N1190-I1194 WeakPolarHBondContact O-CD1 3.41Å; N1190-I1194 VanDerWaalsContact O-CG1 3.31Å; N1190-I1194 WeakPolarHBondContact O-CG1 3.46Å; N1190-I1194 PolarHBondContact O-N 3.34Å; Y1191-I1194 PolarHBondContact O-N 2.75Å; L1192-I1194 PolarHBondContact O-N 3.13Å; I1194-Q1196 PolarHBondContact O-N 3.35Å; I1194-S1197 PolarHBondContact O-N 2.91Å; I1194-L1198 WeakPolarHBondContact O-CB 3.34Å; I1194-L1198 PolarHBondContact O-N 3.1Å |
| 1195 | Q | 73 | Confident | 72.7 | Confident | 110 Ų | 110 | 98.5 Ų | 98.5 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 178.2 | -175.2 | -179.6 | -1.1 | 0 | 0 | 111.6 | Y1191 L1192 L1198 S1199 | Y1191-Q1195 WeakPolarHBondContact O-CB 3.31Å; Y1191-Q1195 PolarHBondContact O-N 3.05Å; L1192-Q1195 PolarHBondContact O-N 3.46Å; Q1195-L1198 PolarHBondContact O-N 2.65Å; Q1195-S1199 PolarHBondContact O-N 3.14Å |
| 1196 | Q | 77.1 | Confident | 72.7 | Confident | 126 Ų | 126 | 99.2 Ų | 99.2 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -49.7 | 175.1 | -162.7 | 92.5 | 49.3 | 0 | 0 | 111 | L1192 I1194 L1198 S1199 D1200 | L1192-Q1196 WeakPolarHBondContact O-CB 3.44Å; L1192-Q1196 PolarHBondContact O-N 3.35Å; I1194-Q1196 PolarHBondContact O-N 3.35Å; Q1196-L1198 VanDerWaalsContact C-N 3.28Å; Q1196-L1198 PolarHBondContact O-N 2.69Å; Q1196-S1199 PolarHBondContact O-N 2.63Å; Q1196-D1200 PolarHBondContact O-N 2.64Å; Q1196-D1200 VanDerWaalsContact O-N 3.1Å |
| 1197 | S | 70.4 | Confident | 73.1 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 51% | 0.51 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -27.9 | 179.7 | -172.8 | 0 | 0 | 0 | 0 | 113.7 | I1193 I1194 T1201 | I1193-S1197 PolarHBondContact O-N 2.87Å; I1194-S1197 PolarHBondContact O-N 2.91Å; S1197-T1201 PolarHBondContact O-N 2.96Å; S1197-T1201 PolarHBondContact O-OG1 2.8Å |
| 1198 | L | 67.9 | Low | 73.4 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.7 | -37.9 | 175.5 | -168.3 | 70.3 | 0 | 0 | 0 | 111.4 | I1194 Q1195 Q1196 D1200 T1201 V1202 | I1194-L1198 WeakPolarHBondContact O-CB 3.34Å; I1194-L1198 PolarHBondContact O-N 3.1Å; Q1195-L1198 PolarHBondContact O-N 2.65Å; Q1196-L1198 VanDerWaalsContact C-N 3.28Å; Q1196-L1198 PolarHBondContact O-N 2.69Å; L1198-D1200 VanDerWaalsContact C-N 3.3Å; L1198-D1200 PolarHBondContact O-N 3.04Å; L1198-T1201 WeakPolarHBondContact CA-OG1 3.16Å; L1198-T1201 PolarHBondContact O-N 3.28Å; L1198-T1201 PolarHBondContact O-OG1 3.01Å; L1198-V1202 WeakPolarHBondContact O-CG2 3.36Å; L1198-V1202 PolarHBondContact O-N 3.09Å |
| 1199 | S | 76.5 | Confident | 73.6 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 51% | 0.51 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173.4 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | Q1195 Q1196 T1201 V1202 Q1203 | Q1195-S1199 PolarHBondContact O-N 3.14Å; Q1196-S1199 PolarHBondContact O-N 2.63Å; S1199-T1201 PolarHBondContact O-N 2.95Å; S1199-V1202 PolarHBondContact O-N 3.4Å; S1199-Q1203 PolarHBondContact O-N 3.29Å |
| 1200 | D | 75.3 | Confident | 73.8 | Confident | 96 Ų | 96 | 92.7 Ų | 92.7 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -31.3 | 177.9 | -77.2 | -9.4 | 0 | 0 | 0 | 113.4 | Q1196 L1198 K1204 | Q1196-D1200 PolarHBondContact O-N 2.64Å; Q1196-D1200 VanDerWaalsContact O-N 3.1Å; L1198-D1200 VanDerWaalsContact C-N 3.3Å; L1198-D1200 PolarHBondContact O-N 3.04Å; D1200-K1204 WeakPolarHBondContact O-CG 3.21Å; D1200-K1204 PolarHBondContact O-N 2.92Å |
| 1201 | T | 70.1 | Confident | 74.3 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 18% | 0.184 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -77.2 | -41.5 | 172.4 | 38.3 | 0 | 0 | 0 | 0 | 112.1 | S1197 L1198 S1199 Q1203 K1204 Y1205 | S1197-T1201 PolarHBondContact O-N 2.96Å; S1197-T1201 PolarHBondContact O-OG1 2.8Å; L1198-T1201 WeakPolarHBondContact CA-OG1 3.16Å; L1198-T1201 PolarHBondContact O-N 3.28Å; L1198-T1201 PolarHBondContact O-OG1 3.01Å; S1199-T1201 PolarHBondContact O-N 2.95Å; T1201-Q1203 VanDerWaalsContact C-N 3.28Å; T1201-Q1203 PolarHBondContact O-N 2.86Å; T1201-K1204 WeakPolarHBondContact O-CB 3.23Å; T1201-K1204 PolarHBondContact O-N 3.28Å; T1201-Y1205 WeakPolarHBondContact O-CD2 3.25Å; T1201-Y1205 PolarHBondContact O-N 2.96Å |
| 1202 | V | 72.9 | Confident | 74.6 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 49% | 0.485 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.9 | -44.3 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | L1198 S1199 K1204 Y1205 E1206 | L1198-V1202 WeakPolarHBondContact O-CG2 3.36Å; L1198-V1202 PolarHBondContact O-N 3.09Å; S1199-V1202 PolarHBondContact O-N 3.4Å; V1202-K1204 VanDerWaalsContact C-N 3.29Å; V1202-K1204 PolarHBondContact O-N 2.91Å; V1202-Y1205 PolarHBondContact O-N 2.79Å; V1202-Y1205 VanDerWaalsContact O-N 3.1Å; V1202-E1206 PolarHBondContact O-N 2.83Å |
| 1203 | Q | 79.4 | Confident | 74.7 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -32.9 | 177.4 | -164.4 | 65.3 | 77.1 | 0 | 0 | 113.3 | S1199 T1201 E1206 N1207 | S1199-Q1203 PolarHBondContact O-N 3.29Å; T1201-Q1203 VanDerWaalsContact C-N 3.28Å; T1201-Q1203 PolarHBondContact O-N 2.86Å; Q1203-E1206 PolarHBondContact NE2-OE2 3.23Å; Q1203-N1207 VanDerWaalsContact O-CG 3.31Å; Q1203-N1207 PolarHBondContact O-N 3.16Å; Q1203-N1207 PolarHBondContact O-ND2 2.8Å |
| 1204 | K | 76.6 | Confident | 75 | Confident | 144 Ų | 144 | 88.1 Ų | 88.1 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.5 | -38.4 | 173.7 | -71.1 | 169.6 | -175.4 | 169.8 | 0 | 111.9 | D1200 T1201 V1202 N1207 L1208 | D1200-K1204 WeakPolarHBondContact O-CG 3.21Å; D1200-K1204 PolarHBondContact O-N 2.92Å; T1201-K1204 WeakPolarHBondContact O-CB 3.23Å; T1201-K1204 PolarHBondContact O-N 3.28Å; V1202-K1204 VanDerWaalsContact C-N 3.29Å; V1202-K1204 PolarHBondContact O-N 2.91Å; K1204-N1207 PolarHBondContact O-N 3.47Å; K1204-L1208 PolarHBondContact O-N 3.48Å |
| 1205 | Y | 68.6 | Low | 75.6 | Confident | 134 Ų | 134 | 90.5 Ų | 90.5 | 53% | 0.525 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 175.5 | -75.6 | -68.1 | 0 | 0 | 0 | 112.6 | Y1135 T1201 V1202 L1208 G1209 | Y1135-Y1205 PolarHBondContact OH-OH 2.78Å; T1201-Y1205 WeakPolarHBondContact O-CD2 3.25Å; T1201-Y1205 PolarHBondContact O-N 2.96Å; V1202-Y1205 PolarHBondContact O-N 2.79Å; V1202-Y1205 VanDerWaalsContact O-N 3.1Å; Y1205-L1208 PolarHBondContact O-N 2.82Å; Y1205-G1209 PolarHBondContact O-N 2.83Å |
| 1206 | E | 73.7 | Confident | 75.9 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | 169.5 | -87.5 | -169.1 | 153 | 0 | 0 | 111.6 | V1202 Q1203 L1208 G1209 T1210 | V1202-E1206 PolarHBondContact O-N 2.83Å; Q1203-E1206 PolarHBondContact NE2-OE2 3.23Å; E1206-L1208 VanDerWaalsContact C-N 3.31Å; E1206-L1208 PolarHBondContact O-N 2.8Å; E1206-G1209 WeakPolarHBondContact O-CA 3.35Å; E1206-G1209 PolarHBondContact O-N 2.83Å; E1206-G1209 VanDerWaalsContact O-N 3.1Å; E1206-T1210 PolarHBondContact O-N 2.86Å |
| 1207 | N | 78.9 | Confident | 76.1 | Confident | 93 Ų | 93 | 85.8 Ų | 85.8 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 177.8 | -71.7 | -26.8 | 0 | 0 | 0 | 111.4 | Q1203 K1204 G1209 T1210 T1211 | Q1203-N1207 VanDerWaalsContact O-CG 3.31Å; Q1203-N1207 PolarHBondContact O-N 3.16Å; Q1203-N1207 PolarHBondContact O-ND2 2.8Å; K1204-N1207 PolarHBondContact O-N 3.47Å; N1207-G1209 VanDerWaalsContact C-N 3.35Å; N1207-G1209 PolarHBondContact O-N 3.38Å; N1207-T1210 PolarHBondContact O-N 2.87Å; N1207-T1210 PolarHBondContact O-OG1 3.48Å; N1207-T1211 PolarHBondContact O-N 3.48Å |
| 1208 | L | 74.5 | Confident | 76.8 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175 | -173.1 | 64.2 | 0 | 0 | 0 | 111.7 | K1204 Y1205 E1206 T1210 T1211 I1212 | K1204-L1208 PolarHBondContact O-N 3.48Å; Y1205-L1208 PolarHBondContact O-N 2.82Å; E1206-L1208 VanDerWaalsContact C-N 3.31Å; E1206-L1208 PolarHBondContact O-N 2.8Å; L1208-T1210 PolarHBondContact O-N 3.48Å; L1208-T1211 PolarHBondContact O-N 3.48Å; L1208-T1211 VanDerWaalsContact O-N 3.15Å; L1208-T1211 PolarHBondContact O-OG1 3.39Å; L1208-I1212 HydrophobicContact CG-CD1 4.12Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.43Å; L1208-I1212 PolarHBondContact O-N 3.46Å |
| 1209 | G | 76.6 | Confident | 77.2 | Confident | 9 Ų | 9 | 87 Ų | 87 | 9% | 0.093 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1205 E1206 N1207 T1211 I1212 N1213 | Y1205-G1209 PolarHBondContact O-N 2.83Å; E1206-G1209 WeakPolarHBondContact O-CA 3.35Å; E1206-G1209 PolarHBondContact O-N 2.83Å; E1206-G1209 VanDerWaalsContact O-N 3.1Å; N1207-G1209 VanDerWaalsContact C-N 3.35Å; N1207-G1209 PolarHBondContact O-N 3.38Å; G1209-T1211 VanDerWaalsContact C-N 3.3Å; G1209-T1211 PolarHBondContact O-N 2.93Å; G1209-I1212 PolarHBondContact O-N 2.89Å; G1209-I1212 VanDerWaalsContact O-N 3.15Å; G1209-N1213 PolarHBondContact O-N 3.49Å; G1209-N1213 PolarHBondContact O-OD1 3.01Å |
| 1210 | T | 79.5 | Confident | 77.4 | Confident | 83 Ų | 83 | 91 Ų | 91 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 176.4 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | E1206 N1207 L1208 N1213 E1214 | E1206-T1210 PolarHBondContact O-N 2.86Å; N1207-T1210 PolarHBondContact O-N 2.87Å; N1207-T1210 PolarHBondContact O-OG1 3.48Å; L1208-T1210 PolarHBondContact O-N 3.48Å; T1210-N1213 PolarHBondContact O-N 2.75Å; T1210-E1214 PolarHBondContact O-N 2.85Å; T1210-E1214 VanDerWaalsContact O-N 3.16Å |
| 1211 | T | 80.8 | Confident | 77.7 | Confident | 68 Ų | 68 | 91.2 Ų | 91.2 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.3 | -29.1 | 177.6 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | N1207 L1208 G1209 L1215 | N1207-T1211 PolarHBondContact O-N 3.48Å; L1208-T1211 PolarHBondContact O-N 3.48Å; L1208-T1211 VanDerWaalsContact O-N 3.15Å; L1208-T1211 PolarHBondContact O-OG1 3.39Å; G1209-T1211 VanDerWaalsContact C-N 3.3Å; G1209-T1211 PolarHBondContact O-N 2.93Å; T1211-L1215 WeakPolarHBondContact O-CG 3.47Å; T1211-L1215 PolarHBondContact O-N 3.46Å |
| 1212 | I | 76.4 | Confident | 78 | Confident | 81 Ų | 81 | 92.7 Ų | 92.7 | 42% | 0.415 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.6 | -44.4 | 174 | -70.7 | 167.9 | 0 | 0 | 0 | 109.9 | L1208 G1209 E1214 L1215 N1216 | L1208-I1212 HydrophobicContact CG-CD1 4.12Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.43Å; L1208-I1212 PolarHBondContact O-N 3.46Å; G1209-I1212 PolarHBondContact O-N 2.89Å; G1209-I1212 VanDerWaalsContact O-N 3.15Å; I1212-E1214 PolarHBondContact O-N 2.76Å; I1212-L1215 WeakPolarHBondContact O-CB 3.13Å; I1212-L1215 PolarHBondContact O-N 2.93Å; I1212-N1216 PolarHBondContact O-N 2.79Å |
| 1213 | N | 78 | Confident | 78.4 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 33% | 0.332 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 179 | -64.4 | 7.2 | 0 | 0 | 0 | 111.4 | G1209 T1210 L1215 N1216 D1217 | G1209-N1213 PolarHBondContact O-N 3.49Å; G1209-N1213 PolarHBondContact O-OD1 3.01Å; T1210-N1213 PolarHBondContact O-N 2.75Å; N1213-L1215 PolarHBondContact O-N 2.98Å; N1213-N1216 PolarHBondContact O-N 3.48Å; N1213-N1216 VanDerWaalsContact O-N 3.14Å; N1213-D1217 PolarHBondContact O-N 3.11Å |
| 1214 | E | 82.3 | Confident | 78.4 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 56% | 0.556 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.4 | -27.5 | 173.8 | -82.9 | -160.8 | -161.5 | 0 | 0 | 114.4 | T1210 I1212 K1218 | T1210-E1214 PolarHBondContact O-N 2.85Å; T1210-E1214 VanDerWaalsContact O-N 3.16Å; I1212-E1214 PolarHBondContact O-N 2.76Å; E1214-K1218 VanDerWaalsContact O-CD 3.22Å; E1214-K1218 WeakPolarHBondContact O-CD 3.35Å; E1214-K1218 WeakPolarHBondContact O-CE 3.34Å; E1214-K1218 VanDerWaalsContact O-CG 3.29Å; E1214-K1218 WeakPolarHBondContact O-CG 3.3Å; E1214-K1218 PolarHBondContact O-NZ 3.21Å; E1214-K1218 IonicContact OE2-NZ 2.76Å; E1214-K1218 PolarHBondContact OE2-NZ 3.35Å |
| 1215 | L | 79.2 | Confident | 78.6 | Confident | 112 Ų | 112 | 90.5 Ų | 90.5 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -83.2 | -36.6 | 174.9 | -73.2 | 168.4 | 0 | 0 | 0 | 111.1 | T1211 I1212 N1213 K1218 L1219 | T1211-L1215 WeakPolarHBondContact O-CG 3.47Å; T1211-L1215 PolarHBondContact O-N 3.46Å; I1212-L1215 WeakPolarHBondContact O-CB 3.13Å; I1212-L1215 PolarHBondContact O-N 2.93Å; N1213-L1215 PolarHBondContact O-N 2.98Å; L1215-K1218 PolarHBondContact O-N 2.66Å; L1215-L1219 WeakPolarHBondContact O-CB 3.16Å; L1215-L1219 PolarHBondContact O-N 3.02Å |
| 1216 | N | 78.6 | Confident | 79 | Confident | 32 Ų | 32 | 87.4 Ų | 87.4 | 17% | 0.171 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.5 | -154.9 | 18.5 | 0 | 0 | 0 | 111.5 | E1105 I1212 N1213 K1218 L1219 K1220 | E1105-N1216 PolarHBondContact OE1-ND2 3.16Å; I1212-N1216 PolarHBondContact O-N 2.79Å; N1213-N1216 PolarHBondContact O-N 3.48Å; N1213-N1216 VanDerWaalsContact O-N 3.14Å; N1216-K1218 PolarHBondContact O-N 2.96Å; N1216-L1219 PolarHBondContact O-N 2.9Å; N1216-K1220 WeakPolarHBondContact O-CB 3.32Å; N1216-K1220 PolarHBondContact O-N 2.85Å |
| 1217 | D | 81.1 | Confident | 79.3 | Confident | 106 Ų | 106 | 86.7 Ų | 86.7 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 173.5 | -83.2 | -23.4 | 0 | 0 | 0 | 112.3 | N1213 L1219 K1220 I1221 | N1213-D1217 PolarHBondContact O-N 3.11Å; D1217-L1219 VanDerWaalsContact C-N 3.35Å; D1217-L1219 PolarHBondContact O-N 3.34Å; D1217-K1220 PolarHBondContact O-N 3.47Å; D1217-I1221 WeakPolarHBondContact O-CG1 3.2Å; D1217-I1221 PolarHBondContact O-N 2.86Å |
| 1218 | K | 85.1 | Confident | 79.5 | Confident | 117 Ų | 117 | 85.8 Ų | 85.8 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.2 | -70.6 | 166.6 | -168.2 | 135.2 | 0 | 111.5 | E1214 L1215 N1216 S1222 | E1214-K1218 VanDerWaalsContact O-CD 3.22Å; E1214-K1218 WeakPolarHBondContact O-CD 3.35Å; E1214-K1218 WeakPolarHBondContact O-CE 3.34Å; E1214-K1218 VanDerWaalsContact O-CG 3.29Å; E1214-K1218 WeakPolarHBondContact O-CG 3.3Å; E1214-K1218 PolarHBondContact O-NZ 3.21Å; E1214-K1218 IonicContact OE2-NZ 2.76Å; E1214-K1218 PolarHBondContact OE2-NZ 3.35Å; L1215-K1218 PolarHBondContact O-N 2.66Å; N1216-K1218 PolarHBondContact O-N 2.96Å; K1218-S1222 PolarHBondContact O-N 2.92Å |
| 1219 | L | 76.7 | Confident | 79.8 | Confident | 90 Ų | 90 | 86.5 Ų | 86.5 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 175.9 | -176.3 | 63.8 | 0 | 0 | 0 | 111.6 | L1215 N1216 D1217 I1221 S1222 K1223 | L1215-L1219 WeakPolarHBondContact O-CB 3.16Å; L1215-L1219 PolarHBondContact O-N 3.02Å; N1216-L1219 PolarHBondContact O-N 2.9Å; D1217-L1219 VanDerWaalsContact C-N 3.35Å; D1217-L1219 PolarHBondContact O-N 3.34Å; L1219-I1221 PolarHBondContact O-N 3.3Å; L1219-S1222 WeakPolarHBondContact O-CB 3.17Å; L1219-S1222 PolarHBondContact O-N 3.46Å; L1219-S1222 VanDerWaalsContact O-N 3.16Å; L1219-K1223 PolarHBondContact O-N 3.3Å |
| 1220 | K | 80.3 | Confident | 80 | Confident | 155 Ų | 155 | 91.7 Ų | 91.7 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 177.3 | -168.9 | 173.1 | -176.7 | 175.1 | 0 | 112.1 | N1216 D1217 K1223 S1224 | N1216-K1220 WeakPolarHBondContact O-CB 3.32Å; N1216-K1220 PolarHBondContact O-N 2.85Å; D1217-K1220 PolarHBondContact O-N 3.47Å; K1220-K1223 PolarHBondContact O-N 2.91Å; K1220-S1224 PolarHBondContact O-N 2.99Å; K1220-S1224 VanDerWaalsContact O-N 3.12Å |
| 1221 | I | 83.1 | Confident | 80 | Confident | 102 Ų | 102 | 91.8 Ų | 91.8 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 171.9 | -67.5 | 165.6 | 0 | 0 | 0 | 110.2 | D1217 L1219 K1223 S1224 Q1225 | D1217-I1221 WeakPolarHBondContact O-CG1 3.2Å; D1217-I1221 PolarHBondContact O-N 2.86Å; L1219-I1221 PolarHBondContact O-N 3.3Å; I1221-K1223 PolarHBondContact O-N 3.25Å; I1221-S1224 PolarHBondContact O-N 3.48Å; I1221-S1224 PolarHBondContact O-OG 3.38Å; I1221-Q1225 PolarHBondContact O-N 3.27Å |
| 1222 | S | 75.5 | Confident | 80 | Confident | 61 Ų | 61 | 94.4 Ų | 94.4 | 43% | 0.427 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.9 | -165.7 | 0 | 0 | 0 | 0 | 112.9 | K1218 L1219 Q1225 V1226 | K1218-S1222 PolarHBondContact O-N 2.92Å; L1219-S1222 WeakPolarHBondContact O-CB 3.17Å; L1219-S1222 PolarHBondContact O-N 3.46Å; L1219-S1222 VanDerWaalsContact O-N 3.16Å; S1222-Q1225 PolarHBondContact O-N 3.01Å; S1222-V1226 WeakPolarHBondContact O-CG2 3.48Å; S1222-V1226 PolarHBondContact O-N 2.91Å; S1222-V1226 VanDerWaalsContact O-N 3.1Å |
| 1223 | K | 80.5 | Confident | 79.9 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 178.1 | -173.2 | 175.7 | -180 | 178.8 | 0 | 111.6 | L1219 K1220 I1221 Q1225 V1226 E1227 | L1219-K1223 PolarHBondContact O-N 3.3Å; K1220-K1223 PolarHBondContact O-N 2.91Å; I1221-K1223 PolarHBondContact O-N 3.25Å; K1223-Q1225 PolarHBondContact O-N 3.3Å; K1223-V1226 PolarHBondContact O-N 3.48Å; K1223-E1227 WeakPolarHBondContact CE-OE1 3.28Å; K1223-E1227 PolarHBondContact O-N 2.69Å |
| 1224 | S | 79.4 | Confident | 79.8 | Confident | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -28.8 | 176.6 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | K1220 I1221 S1228 | K1220-S1224 PolarHBondContact O-N 2.99Å; K1220-S1224 VanDerWaalsContact O-N 3.12Å; I1221-S1224 PolarHBondContact O-N 3.48Å; I1221-S1224 PolarHBondContact O-OG 3.38Å; S1224-S1228 PolarHBondContact O-N 3.14Å |
| 1225 | Q | 82.2 | Confident | 79.5 | Confident | 120 Ų | 120 | 94.7 Ų | 94.7 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73 | -37.3 | 172.3 | -69.1 | 178.1 | -10.4 | 0 | 0 | 112.2 | I1221 S1222 K1223 S1228 L1229 | I1221-Q1225 PolarHBondContact O-N 3.27Å; S1222-Q1225 PolarHBondContact O-N 3.01Å; K1223-Q1225 PolarHBondContact O-N 3.3Å; Q1225-S1228 PolarHBondContact O-N 3.06Å; Q1225-L1229 WeakPolarHBondContact O-CG 3.35Å; Q1225-L1229 PolarHBondContact O-N 3.41Å; Q1225-L1229 VanDerWaalsContact O-N 3.17Å |
| 1226 | V | 77 | Confident | 79.2 | Confident | 68 Ų | 68 | 92.6 Ų | 92.6 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -46.8 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | S1222 K1223 S1228 L1229 E1230 | S1222-V1226 WeakPolarHBondContact O-CG2 3.48Å; S1222-V1226 PolarHBondContact O-N 2.91Å; S1222-V1226 VanDerWaalsContact O-N 3.1Å; K1223-V1226 PolarHBondContact O-N 3.48Å; V1226-S1228 PolarHBondContact O-N 3.29Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 WeakPolarHBondContact O-CA 3.4Å; V1226-L1229 PolarHBondContact O-N 2.93Å; V1226-E1230 HydrophobicContact CG1-CG 4.12Å; V1226-E1230 WeakPolarHBondContact O-CG 3.38Å; V1226-E1230 PolarHBondContact O-N 3.32Å |
| 1227 | E | 79.8 | Confident | 78.6 | Confident | 97 Ų | 97 | 96.4 Ų | 96.4 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59 | -35.5 | 176.7 | -70 | 170.2 | -176.9 | 0 | 0 | 112 | K1223 T1231 | K1223-E1227 WeakPolarHBondContact CE-OE1 3.28Å; K1223-E1227 PolarHBondContact O-N 2.69Å; E1227-T1231 WeakPolarHBondContact O-CG2 3.28Å; E1227-T1231 PolarHBondContact O-N 3.28Å; E1227-T1231 PolarHBondContact O-OG1 3.41Å |
| 1228 | S | 83.4 | Confident | 77.7 | Confident | 73 Ų | 73 | 100.1 Ų | 100.1 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.1 | -30.9 | 173.1 | -173 | 0 | 0 | 0 | 0 | 113.7 | S1224 Q1225 V1226 T1231 E1232 | S1224-S1228 PolarHBondContact O-N 3.14Å; Q1225-S1228 PolarHBondContact O-N 3.06Å; V1226-S1228 PolarHBondContact O-N 3.29Å; S1228-T1231 WeakPolarHBondContact CA-OG1 3.4Å; S1228-T1231 PolarHBondContact O-OG1 3.41Å; S1228-T1231 VanDerWaalsContact O-OG1 3.12Å; S1228-E1232 PolarHBondContact O-N 2.91Å |
| 1229 | L | 81.5 | Confident | 76.8 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -83.1 | -33.3 | 177.1 | -71.4 | 168.4 | 0 | 0 | 0 | 111.8 | Q1225 V1226 E1232 L1233 | Q1225-L1229 WeakPolarHBondContact O-CG 3.35Å; Q1225-L1229 PolarHBondContact O-N 3.41Å; Q1225-L1229 VanDerWaalsContact O-N 3.17Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 WeakPolarHBondContact O-CA 3.4Å; V1226-L1229 PolarHBondContact O-N 2.93Å; L1229-E1232 PolarHBondContact O-N 2.78Å; L1229-L1233 VanDerWaalsContact O-CB 3.28Å; L1229-L1233 WeakPolarHBondContact O-CB 3.35Å; L1229-L1233 PolarHBondContact O-N 2.74Å |
| 1230 | E | 79.2 | Confident | 75.8 | Confident | 118 Ų | 118 | 100.7 Ų | 100.7 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -38.6 | 174 | -73.2 | -179.9 | 162.5 | 0 | 0 | 111.6 | V1226 L1233 A1234 | V1226-E1230 HydrophobicContact CG1-CG 4.12Å; V1226-E1230 WeakPolarHBondContact O-CG 3.38Å; V1226-E1230 PolarHBondContact O-N 3.32Å; E1230-L1233 PolarHBondContact O-N 3.41Å; E1230-A1234 VanDerWaalsContact O-CB 3.32Å; E1230-A1234 WeakPolarHBondContact O-CB 3.4Å; E1230-A1234 PolarHBondContact O-N 3.21Å |
| 1231 | T | 79.4 | Confident | 74.6 | Confident | 84 Ų | 84 | 98.2 Ų | 98.2 | 52% | 0.515 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 172.9 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | E1227 S1228 L1233 A1234 D1235 | E1227-T1231 WeakPolarHBondContact O-CG2 3.28Å; E1227-T1231 PolarHBondContact O-N 3.28Å; E1227-T1231 PolarHBondContact O-OG1 3.41Å; S1228-T1231 WeakPolarHBondContact CA-OG1 3.4Å; S1228-T1231 PolarHBondContact O-OG1 3.41Å; S1228-T1231 VanDerWaalsContact O-OG1 3.12Å; T1231-L1233 VanDerWaalsContact C-N 3.32Å; T1231-L1233 PolarHBondContact O-N 3.3Å; T1231-A1234 PolarHBondContact O-N 3.3Å; T1231-D1235 PolarHBondContact O-N 3.49Å |
| 1232 | E | 80.5 | Confident | 73.3 | Confident | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -39.9 | 172 | -173.1 | 176.8 | -175.6 | 0 | 0 | 112 | S1228 L1229 T1236 | S1228-E1232 PolarHBondContact O-N 2.91Å; L1229-E1232 PolarHBondContact O-N 2.78Å; E1232-T1236 WeakPolarHBondContact O-CB 3.39Å; E1232-T1236 PolarHBondContact O-N 3.29Å; E1232-T1236 PolarHBondContact O-OG1 3.01Å |
| 1233 | L | 75.4 | Confident | 72.4 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 175.7 | -178.8 | 62.6 | 0 | 0 | 0 | 112.1 | L1229 E1230 T1231 T1236 I1237 | L1229-L1233 VanDerWaalsContact O-CB 3.28Å; L1229-L1233 WeakPolarHBondContact O-CB 3.35Å; L1229-L1233 PolarHBondContact O-N 2.74Å; E1230-L1233 PolarHBondContact O-N 3.41Å; T1231-L1233 VanDerWaalsContact C-N 3.32Å; T1231-L1233 PolarHBondContact O-N 3.3Å; L1233-T1236 WeakPolarHBondContact O-CB 3.44Å; L1233-T1236 PolarHBondContact O-N 3.43Å; L1233-I1237 HydrophobicContact CD1-CD1 4.21Å; L1233-I1237 HydrophobicContact CD1-CG1 4.35Å; L1233-I1237 HydrophobicContact CG-CD1 3.95Å; L1233-I1237 HydrophobicContact CG-CG1 4.5Å; L1233-I1237 VanDerWaalsContact O-CG1 3.31Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.2Å; L1233-I1237 PolarHBondContact O-N 3.22Å |
| 1234 | A | 75.2 | Confident | 71.4 | Confident | 54 Ų | 54 | 101.7 Ų | 101.7 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1230 T1231 T1236 I1237 K1238 | E1230-A1234 VanDerWaalsContact O-CB 3.32Å; E1230-A1234 WeakPolarHBondContact O-CB 3.4Å; E1230-A1234 PolarHBondContact O-N 3.21Å; T1231-A1234 PolarHBondContact O-N 3.3Å; A1234-T1236 VanDerWaalsContact C-N 3.33Å; A1234-I1237 PolarHBondContact O-N 3.25Å; A1234-K1238 VanDerWaalsContact O-CB 3.27Å; A1234-K1238 WeakPolarHBondContact O-CB 3.35Å; A1234-K1238 PolarHBondContact O-N 3.42Å |
| 1235 | D | 76.1 | Confident | 70.6 | Confident | 112 Ų | 112 | 103.1 Ų | 103.1 | 60% | 0.599 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.4 | -37.7 | 173 | -81.7 | -18.4 | 0 | 0 | 0 | 111.5 | T1231 K1238 S1239 | T1231-D1235 PolarHBondContact O-N 3.49Å; D1235-K1238 PolarHBondContact O-N 3.03Å; D1235-S1239 WeakPolarHBondContact O-CB 3.33Å; D1235-S1239 PolarHBondContact O-N 3.32Å |
| 1236 | T | 74.4 | Confident | 69.5 | Low | 69 Ų | 69 | 104.9 Ų | 104.9 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -49.2 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | E1232 L1233 A1234 K1238 S1239 H1240 | E1232-T1236 WeakPolarHBondContact O-CB 3.39Å; E1232-T1236 PolarHBondContact O-N 3.29Å; E1232-T1236 PolarHBondContact O-OG1 3.01Å; L1233-T1236 WeakPolarHBondContact O-CB 3.44Å; L1233-T1236 PolarHBondContact O-N 3.43Å; A1234-T1236 VanDerWaalsContact C-N 3.33Å; T1236-K1238 VanDerWaalsContact C-N 3.33Å; T1236-K1238 PolarHBondContact O-N 3.49Å; T1236-S1239 PolarHBondContact O-N 2.9Å; T1236-S1239 VanDerWaalsContact O-N 3.07Å; T1236-S1239 PolarHBondContact O-OG 3.23Å; T1236-H1240 PolarHBondContact O-N 3.39Å; T1236-H1240 VanDerWaalsContact O-N 3.16Å |
| 1237 | I | 64.2 | Low | 69.2 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 57% | 0.574 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.7 | -44.9 | 176.1 | -70.7 | 166.5 | 0 | 0 | 0 | 110.4 | L1233 A1234 S1239 H1240 | L1233-I1237 HydrophobicContact CD1-CD1 4.21Å; L1233-I1237 HydrophobicContact CD1-CG1 4.35Å; L1233-I1237 HydrophobicContact CG-CD1 3.95Å; L1233-I1237 HydrophobicContact CG-CG1 4.5Å; L1233-I1237 VanDerWaalsContact O-CG1 3.31Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.2Å; L1233-I1237 PolarHBondContact O-N 3.22Å; A1234-I1237 PolarHBondContact O-N 3.25Å; I1237-S1239 PolarHBondContact O-N 2.92Å; I1237-H1240 PolarHBondContact O-N 2.83Å |
| 1238 | K | 64.1 | Low | 69 | Low | 183 Ų | 183 | 105.6 Ų | 105.6 | 80% | 0.796 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -20.7 | 178.1 | -161 | 171.9 | -172.6 | 174.5 | 0 | 113.4 | A1234 D1235 T1236 | A1234-K1238 VanDerWaalsContact O-CB 3.27Å; A1234-K1238 WeakPolarHBondContact O-CB 3.35Å; A1234-K1238 PolarHBondContact O-N 3.42Å; D1235-K1238 PolarHBondContact O-N 3.03Å; T1236-K1238 VanDerWaalsContact C-N 3.33Å; T1236-K1238 PolarHBondContact O-N 3.49Å |
| 1239 | S | 64.5 | Low | 68.6 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -92.1 | -15.2 | 177.6 | 82.5 | 0 | 0 | 0 | 0 | 114.6 | D1235 T1236 I1237 | D1235-S1239 WeakPolarHBondContact O-CB 3.33Å; D1235-S1239 PolarHBondContact O-N 3.32Å; T1236-S1239 PolarHBondContact O-N 2.9Å; T1236-S1239 VanDerWaalsContact O-N 3.07Å; T1236-S1239 PolarHBondContact O-OG 3.23Å; I1237-S1239 PolarHBondContact O-N 2.92Å |
| 1240 | H | 55.5 | Low | 68.3 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -132.4 | 113.5 | -171.9 | -85.7 | 22.2 | 0 | 0 | 0 | 112.2 | T1236 I1237 | T1236-H1240 PolarHBondContact O-N 3.39Å; T1236-H1240 VanDerWaalsContact O-N 3.16Å; I1237-H1240 PolarHBondContact O-N 2.83Å |
| 1241 | V | 55.5 | Low | 68.2 | Low | 102 Ų | 102 | 103.1 Ų | 103.1 | 62% | 0.618 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 78.9 | 102.3 | -176.8 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | Y1246 | V1241-Y1246 HydrophobicContact CG1-CD2 4.32Š|
| 1242 | P | 55.2 | Low | 68.2 | Low | 71 Ų | 71 | 104.8 Ų | 104.8 | 46% | 0.461 | 55% | 0.55 | S | S | . | . | trans | -63.2 | 139.1 | 173.2 | -16.1 | 30.1 | 0 | 0 | 0 | 111.3 | E1244 D1245 | P1242-E1244 WeakPolarHBondContact CB-OE2 3.47Å; P1242-E1244 PolarHBondContact O-N 2.86Å; P1242-D1245 PolarHBondContact O-N 3.42Å | ||
| 1243 | I | 57.4 | Low | 68.2 | Low | 122 Ų | 122 | 102.8 Ų | 102.8 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -27.6 | -179.8 | -72.7 | 171.8 | 0 | 0 | 0 | 111 | D1245 Y1246 E1247 | I1243-D1245 VanDerWaalsContact C-N 3.28Å; I1243-D1245 PolarHBondContact O-N 3.04Å; I1243-Y1246 WeakPolarHBondContact O-CA 3.43Å; I1243-Y1246 WeakPolarHBondContact O-CB 3.34Å; I1243-Y1246 PolarHBondContact O-N 3.41Å; I1243-E1247 HydrophobicContact CG2-CG 4.19Å; I1243-E1247 PolarHBondContact O-N 3.24Å |
| 1244 | E | 60.1 | Low | 68.4 | Low | 132 Ų | 132 | 102.1 Ų | 102.1 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.2 | -34.1 | 176.9 | -59.5 | 90.7 | 156.7 | 0 | 0 | 113.1 | P1242 S1248 | P1242-E1244 WeakPolarHBondContact CB-OE2 3.47Å; P1242-E1244 PolarHBondContact O-N 2.86Å; E1244-S1248 VanDerWaalsContact O-CB 3.31Å; E1244-S1248 WeakPolarHBondContact O-CB 3.44Å; E1244-S1248 PolarHBondContact O-N 3.32Å |
| 1245 | D | 61.6 | Low | 68.7 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72 | -33.8 | 174.8 | -80 | -26.4 | 0 | 0 | 0 | 111.3 | P1242 I1243 I1249 | P1242-D1245 PolarHBondContact O-N 3.42Å; I1243-D1245 VanDerWaalsContact C-N 3.28Å; I1243-D1245 PolarHBondContact O-N 3.04Å; D1245-I1249 VanDerWaalsContact O-CG1 3.31Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; D1245-I1249 PolarHBondContact O-N 3.42Å |
| 1246 | Y | 60.4 | Low | 69 | Low | 157 Ų | 157 | 101.6 Ų | 101.6 | 62% | 0.616 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.7 | -42.4 | 175.4 | -120.8 | -85.5 | 0 | 0 | 0 | 111.5 | V1241 I1243 S1248 I1249 V1250 | V1241-Y1246 HydrophobicContact CG1-CD2 4.32Å; I1243-Y1246 WeakPolarHBondContact O-CA 3.43Å; I1243-Y1246 WeakPolarHBondContact O-CB 3.34Å; I1243-Y1246 PolarHBondContact O-N 3.41Å; Y1246-S1248 VanDerWaalsContact C-N 3.33Å; Y1246-S1248 PolarHBondContact O-N 3.08Å; Y1246-I1249 PolarHBondContact O-N 2.73Å; Y1246-V1250 HydrophobicContact CD1-CG2 4.5Å; Y1246-V1250 WeakPolarHBondContact O-CB 3.47Å; Y1246-V1250 VanDerWaalsContact O-CG2 3.29Å; Y1246-V1250 WeakPolarHBondContact O-CG2 3.49Å; Y1246-V1250 PolarHBondContact O-N 3.14Å |
| 1247 | E | 71.1 | Confident | 69.4 | Low | 124 Ų | 124 | 103.5 Ų | 103.5 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -38.7 | 173.1 | -70.7 | -174.7 | 163.3 | 0 | 0 | 111.8 | I1243 V1250 T1251 | I1243-E1247 HydrophobicContact CG2-CG 4.19Å; I1243-E1247 PolarHBondContact O-N 3.24Å; E1247-V1250 PolarHBondContact O-N 2.97Å; E1247-T1251 WeakPolarHBondContact O-CB 3.37Å; E1247-T1251 PolarHBondContact O-N 2.87Å; E1247-T1251 PolarHBondContact O-OG1 3.04Å |
| 1248 | S | 73.8 | Confident | 70.3 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | E1244 Y1246 Q1252 | E1244-S1248 VanDerWaalsContact O-CB 3.31Å; E1244-S1248 WeakPolarHBondContact O-CB 3.44Å; E1244-S1248 PolarHBondContact O-N 3.32Å; Y1246-S1248 VanDerWaalsContact C-N 3.33Å; Y1246-S1248 PolarHBondContact O-N 3.08Å; S1248-Q1252 WeakPolarHBondContact O-CG 3.42Å; S1248-Q1252 PolarHBondContact O-N 2.85Å; S1248-Q1252 VanDerWaalsContact O-N 3.16Å; S1248-Q1252 PolarHBondContact O-NE2 3.39Å; S1248-Q1252 VanDerWaalsContact O-NE2 3.17Å; S1248-Q1252 PolarHBondContact OG-NE2 2.9Å |
| 1249 | I | 75.1 | Confident | 71.3 | Confident | 89 Ų | 89 | 96.9 Ų | 96.9 | 46% | 0.456 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 175.7 | -70.6 | 166.6 | 0 | 0 | 0 | 111.2 | D1245 Y1246 T1251 Q1252 I1253 | D1245-I1249 VanDerWaalsContact O-CG1 3.31Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; D1245-I1249 PolarHBondContact O-N 3.42Å; Y1246-I1249 PolarHBondContact O-N 2.73Å; I1249-T1251 VanDerWaalsContact C-N 3.31Å; I1249-T1251 PolarHBondContact O-N 3.12Å; I1249-Q1252 WeakPolarHBondContact O-CB 3.49Å; I1249-Q1252 PolarHBondContact O-N 3.36Å; I1249-Q1252 VanDerWaalsContact O-N 3.15Å; I1249-I1253 HydrophobicContact CG2-CD1 3.86Å; I1249-I1253 HydrophobicContact CG2-CG1 4.42Å; I1249-I1253 WeakPolarHBondContact O-CG1 3.43Å; I1249-I1253 PolarHBondContact O-N 3.08Å |
| 1250 | V | 76.2 | Confident | 72.1 | Confident | 64 Ų | 64 | 98.7 Ų | 98.7 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.5 | 167.9 | 0 | 0 | 0 | 0 | 111 | Y1246 E1247 Q1252 I1253 N1254 | Y1246-V1250 HydrophobicContact CD1-CG2 4.5Å; Y1246-V1250 WeakPolarHBondContact O-CB 3.47Å; Y1246-V1250 VanDerWaalsContact O-CG2 3.29Å; Y1246-V1250 WeakPolarHBondContact O-CG2 3.49Å; Y1246-V1250 PolarHBondContact O-N 3.14Å; E1247-V1250 PolarHBondContact O-N 2.97Å; V1250-Q1252 VanDerWaalsContact C-N 3.33Å; V1250-Q1252 PolarHBondContact O-N 3.36Å; V1250-I1253 PolarHBondContact O-N 3.42Å; V1250-N1254 WeakPolarHBondContact O-CB 3.17Å; V1250-N1254 PolarHBondContact O-N 3.4Å; V1250-N1254 PolarHBondContact O-ND2 3.42Å |
| 1251 | T | 77.3 | Confident | 73.4 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | E1247 I1249 A1255 | E1247-T1251 WeakPolarHBondContact O-CB 3.37Å; E1247-T1251 PolarHBondContact O-N 2.87Å; E1247-T1251 PolarHBondContact O-OG1 3.04Å; I1249-T1251 VanDerWaalsContact C-N 3.31Å; I1249-T1251 PolarHBondContact O-N 3.12Å; T1251-A1255 PolarHBondContact O-N 2.83Å; T1251-A1255 VanDerWaalsContact O-N 3.12Å |
| 1252 | Q | 78 | Confident | 74.7 | Confident | 119 Ų | 119 | 90.1 Ų | 90.1 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.4 | -39.3 | 173.6 | -72.7 | 171.3 | 66.9 | 0 | 0 | 112.6 | S1248 I1249 V1250 A1255 V1256 | S1248-Q1252 WeakPolarHBondContact O-CG 3.42Å; S1248-Q1252 PolarHBondContact O-N 2.85Å; S1248-Q1252 VanDerWaalsContact O-N 3.16Å; S1248-Q1252 PolarHBondContact O-NE2 3.39Å; S1248-Q1252 VanDerWaalsContact O-NE2 3.17Å; S1248-Q1252 PolarHBondContact OG-NE2 2.9Å; I1249-Q1252 WeakPolarHBondContact O-CB 3.49Å; I1249-Q1252 PolarHBondContact O-N 3.36Å; I1249-Q1252 VanDerWaalsContact O-N 3.15Å; V1250-Q1252 VanDerWaalsContact C-N 3.33Å; V1250-Q1252 PolarHBondContact O-N 3.36Å; Q1252-A1255 PolarHBondContact O-N 3.35Å; Q1252-V1256 WeakPolarHBondContact O-CG2 3.4Å; Q1252-V1256 PolarHBondContact O-N 2.88Å; Q1252-V1256 VanDerWaalsContact O-N 3.1Å |
| 1253 | I | 80.3 | Confident | 75.9 | Confident | 83 Ų | 83 | 89.2 Ų | 89.2 | 43% | 0.426 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 174.5 | -70.8 | 168.6 | 0 | 0 | 0 | 110.1 | I1249 V1250 A1255 V1256 E1257 | I1249-I1253 HydrophobicContact CG2-CD1 3.86Å; I1249-I1253 HydrophobicContact CG2-CG1 4.42Å; I1249-I1253 WeakPolarHBondContact O-CG1 3.43Å; I1249-I1253 PolarHBondContact O-N 3.08Å; V1250-I1253 PolarHBondContact O-N 3.42Å; I1253-A1255 VanDerWaalsContact C-N 3.28Å; I1253-A1255 PolarHBondContact O-N 2.82Å; I1253-V1256 CarbonylContact O-C 3.52Å; I1253-V1256 PolarHBondContact O-N 2.95Å; I1253-E1257 HydrophobicContact CG2-CG 4.23Å; I1253-E1257 WeakPolarHBondContact O-CG 3.24Å; I1253-E1257 PolarHBondContact O-N 3.31Å |
| 1254 | N | 80.2 | Confident | 77.1 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.8 | -39.4 | 178.4 | -69.7 | -16.6 | 0 | 0 | 0 | 112.2 | V1250 E1257 E1258 | V1250-N1254 WeakPolarHBondContact O-CB 3.17Å; V1250-N1254 PolarHBondContact O-N 3.4Å; V1250-N1254 PolarHBondContact O-ND2 3.42Å; N1254-E1257 PolarHBondContact O-N 2.83Å; N1254-E1258 WeakPolarHBondContact O-CB 3.34Å; N1254-E1258 PolarHBondContact O-N 2.73Å |
| 1255 | A | 82 | Confident | 78.1 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 45% | 0.446 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1251 Q1252 I1253 E1258 D1259 | T1251-A1255 PolarHBondContact O-N 2.83Å; T1251-A1255 VanDerWaalsContact O-N 3.12Å; Q1252-A1255 PolarHBondContact O-N 3.35Å; I1253-A1255 VanDerWaalsContact C-N 3.28Å; I1253-A1255 PolarHBondContact O-N 2.82Å; A1255-E1258 PolarHBondContact O-N 3.37Å; A1255-D1259 PolarHBondContact O-N 3.17Å; A1255-D1259 VanDerWaalsContact O-N 3.1Å |
| 1256 | V | 82.7 | Confident | 79.1 | Confident | 102 Ų | 102 | 83.9 Ų | 83.9 | 62% | 0.618 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.2 | -37.2 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | Q1252 I1253 D1259 L1260 | Q1252-V1256 WeakPolarHBondContact O-CG2 3.4Å; Q1252-V1256 PolarHBondContact O-N 2.88Å; Q1252-V1256 VanDerWaalsContact O-N 3.1Å; I1253-V1256 CarbonylContact O-C 3.52Å; I1253-V1256 PolarHBondContact O-N 2.95Å; V1256-D1259 PolarHBondContact O-N 3.49Å; V1256-L1260 WeakPolarHBondContact O-CB 3.47Å; V1256-L1260 PolarHBondContact O-N 3.46Å |
| 1257 | E | 83 | Confident | 80.2 | Confident | 109 Ų | 109 | 80 Ų | 80 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 173.9 | -73.2 | -175.1 | 176.8 | 0 | 0 | 112.4 | I1253 N1254 L1260 C1261 | I1253-E1257 HydrophobicContact CG2-CG 4.23Å; I1253-E1257 WeakPolarHBondContact O-CG 3.24Å; I1253-E1257 PolarHBondContact O-N 3.31Å; N1254-E1257 PolarHBondContact O-N 2.83Å; E1257-L1260 PolarHBondContact O-N 3.04Å; E1257-C1261 WeakPolarHBondContact O-CB 3.37Å; E1257-C1261 PolarHBondContact O-N 2.91Å |
| 1258 | E | 83.2 | Confident | 80.7 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 24% | 0.238 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 175.3 | -153.3 | -165.2 | 137.2 | 0 | 0 | 111.7 | N1254 A1255 C1261 K1262 C1366 | N1254-E1258 WeakPolarHBondContact O-CB 3.34Å; N1254-E1258 PolarHBondContact O-N 2.73Å; A1255-E1258 PolarHBondContact O-N 3.37Å; E1258-C1261 WeakPolarHBondContact O-CB 3.45Å; E1258-C1261 PolarHBondContact O-N 3.29Å; E1258-K1262 VanDerWaalsContact O-CG 3.3Å; E1258-K1262 WeakPolarHBondContact O-CG 3.43Å; E1258-K1262 PolarHBondContact O-N 3.29Å; E1258-K1262 WeakPolarHBondContact OE1-CE 3.31Å; E1258-K1262 IonicContact OE1-NZ 3.25Å; E1258-K1262 PolarHBondContact OE1-NZ 3.02Å; E1258-C1366 HydrophobicContact CG-CB 4.37Å; E1258-C1366 WeakPolarHBondContact OE1-CB 3.47Å |
| 1259 | D | 83.4 | Confident | 81 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.8 | -34.7 | 172.6 | -82.9 | -9.5 | 0 | 0 | 0 | 112.5 | A1255 V1256 K1262 A1263 | A1255-D1259 PolarHBondContact O-N 3.17Å; A1255-D1259 VanDerWaalsContact O-N 3.1Å; V1256-D1259 PolarHBondContact O-N 3.49Å; D1259-K1262 PolarHBondContact O-N 3.21Å; D1259-A1263 WeakPolarHBondContact O-CB 3.42Å; D1259-A1263 PolarHBondContact O-N 2.99Å |
| 1260 | L | 82.7 | Confident | 81.3 | Confident | 116 Ų | 116 | 78.5 Ų | 78.5 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 172.2 | -171 | 75.3 | 0 | 0 | 0 | 111.1 | V1256 E1257 K1262 A1263 Q1264 | V1256-L1260 WeakPolarHBondContact O-CB 3.47Å; V1256-L1260 PolarHBondContact O-N 3.46Å; E1257-L1260 PolarHBondContact O-N 3.04Å; L1260-K1262 PolarHBondContact O-N 3.41Å; L1260-A1263 PolarHBondContact O-N 3.49Å; L1260-Q1264 WeakPolarHBondContact O-CB 3.36Å; L1260-Q1264 PolarHBondContact O-N 2.9Å |
| 1261 | C | 81.6 | Confident | 81.6 | Confident | 29 Ų | 29 | 81 Ų | 81 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.1 | -50.3 | 171.3 | -83 | 0 | 0 | 0 | 0 | 111 | E1257 E1258 A1263 Q1264 S1265 L1363 | E1257-C1261 WeakPolarHBondContact O-CB 3.37Å; E1257-C1261 PolarHBondContact O-N 2.91Å; E1258-C1261 WeakPolarHBondContact O-CB 3.45Å; E1258-C1261 PolarHBondContact O-N 3.29Å; C1261-A1263 VanDerWaalsContact C-N 3.29Å; C1261-A1263 PolarHBondContact O-N 2.87Å; C1261-Q1264 PolarHBondContact O-N 3.49Å; C1261-Q1264 VanDerWaalsContact O-N 3.14Å; C1261-S1265 PolarHBondContact O-N 2.94Å; C1261-S1265 PolarHBondContact O-OG 2.91Å; C1261-L1363 HydrophobicContact CB-CD2 3.86Å |
| 1262 | K | 83.2 | Confident | 81.8 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 15% | 0.152 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.2 | -35.3 | 178.7 | -72.9 | 164.9 | -170.2 | 163 | 0 | 113.3 | E1258 D1259 L1260 N1365 F1367 | E1258-K1262 VanDerWaalsContact O-CG 3.3Å; E1258-K1262 WeakPolarHBondContact O-CG 3.43Å; E1258-K1262 PolarHBondContact O-N 3.29Å; E1258-K1262 WeakPolarHBondContact OE1-CE 3.31Å; E1258-K1262 IonicContact OE1-NZ 3.25Å; E1258-K1262 PolarHBondContact OE1-NZ 3.02Å; D1259-K1262 PolarHBondContact O-N 3.21Å; L1260-K1262 PolarHBondContact O-N 3.41Å; K1262-N1365 WeakPolarHBondContact CE-OD1 3.49Å; K1262-N1365 WeakPolarHBondContact CG-OD1 3.34Å; K1262-F1367 VanDerWaalsContact NZ-CZ 3.27Å |
| 1263 | A | 80.5 | Confident | 81.9 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.2 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1259 L1260 C1261 S1265 K1266 V1267 | D1259-A1263 WeakPolarHBondContact O-CB 3.42Å; D1259-A1263 PolarHBondContact O-N 2.99Å; L1260-A1263 PolarHBondContact O-N 3.49Å; C1261-A1263 VanDerWaalsContact C-N 3.29Å; C1261-A1263 PolarHBondContact O-N 2.87Å; A1263-S1265 PolarHBondContact O-N 3.31Å; A1263-K1266 PolarHBondContact O-N 3.49Å; A1263-K1266 VanDerWaalsContact O-N 3.17Å; A1263-V1267 PolarHBondContact O-N 2.99Å; A1263-V1267 VanDerWaalsContact O-N 3.08Å |
| 1264 | Q | 82.7 | Confident | 81.9 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -34.3 | 176.1 | -165.6 | 172.1 | 2.4 | 0 | 0 | 111.4 | L1260 C1261 K1266 V1267 T1268 L1363 | L1260-Q1264 WeakPolarHBondContact O-CB 3.36Å; L1260-Q1264 PolarHBondContact O-N 2.9Å; C1261-Q1264 PolarHBondContact O-N 3.49Å; C1261-Q1264 VanDerWaalsContact O-N 3.14Å; Q1264-K1266 VanDerWaalsContact C-N 3.28Å; Q1264-K1266 PolarHBondContact O-N 2.95Å; Q1264-V1267 PolarHBondContact O-N 2.88Å; Q1264-V1267 VanDerWaalsContact O-N 3.16Å; Q1264-T1268 PolarHBondContact O-N 3.29Å; Q1264-T1268 PolarHBondContact O-OG1 3.43Å; Q1264-T1268 VanDerWaalsContact O-OG1 3.07Å; Q1264-L1363 VanDerWaalsContact C-CD1 3.45Å; Q1264-L1363 HydrophobicContact CB-CD1 3.65Å; Q1264-L1363 HydrophobicContact CG-CD1 3.75Å |
| 1265 | S | 80.3 | Confident | 81.9 | Confident | 20 Ų | 20 | 83.1 Ų | 83.1 | 14% | 0.14 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 177.4 | -43.3 | 0 | 0 | 0 | 0 | 111.2 | C1261 A1263 T1268 E1269 L1363 | C1261-S1265 PolarHBondContact O-N 2.94Å; C1261-S1265 PolarHBondContact O-OG 2.91Å; A1263-S1265 PolarHBondContact O-N 3.31Å; S1265-T1268 PolarHBondContact O-OG1 3.37Å; S1265-E1269 WeakPolarHBondContact O-CB 3.35Å; S1265-E1269 PolarHBondContact O-N 3.12Å; S1265-L1363 WeakPolarHBondContact OG-CB 3.5Å |
| 1266 | K | 82.4 | Confident | 81.9 | Confident | 126 Ų | 126 | 87.3 Ų | 87.3 | 55% | 0.548 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.3 | -35.2 | 179.3 | -70.1 | 179 | 178.9 | 173.6 | 0 | 112 | A1263 Q1264 E1269 Y1270 | A1263-K1266 PolarHBondContact O-N 3.49Å; A1263-K1266 VanDerWaalsContact O-N 3.17Å; Q1264-K1266 VanDerWaalsContact C-N 3.28Å; Q1264-K1266 PolarHBondContact O-N 2.95Å; K1266-E1269 WeakPolarHBondContact O-CB 3.46Å; K1266-E1269 PolarHBondContact O-N 3.18Å; K1266-Y1270 HydrophobicContact CB-CE2 4.21Å; K1266-Y1270 WeakPolarHBondContact O-CD2 3.39Å; K1266-Y1270 VanDerWaalsContact O-CG 3.23Å; K1266-Y1270 PolarHBondContact O-N 3.32Å |
| 1267 | V | 84.1 | Confident | 81.8 | Confident | 74 Ų | 74 | 87 Ų | 87 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | A1263 Q1264 E1269 Y1270 E1271 | A1263-V1267 PolarHBondContact O-N 2.99Å; A1263-V1267 VanDerWaalsContact O-N 3.08Å; Q1264-V1267 PolarHBondContact O-N 2.88Å; Q1264-V1267 VanDerWaalsContact O-N 3.16Å; V1267-E1269 VanDerWaalsContact C-N 3.27Å; V1267-E1269 PolarHBondContact O-N 3.14Å; V1267-Y1270 CarbonylContact O-C 3.58Å; V1267-Y1270 PolarHBondContact O-N 3.45Å; V1267-Y1270 VanDerWaalsContact O-N 3.09Å; V1267-E1271 HydrophobicContact CG1-CG 4.47Å; V1267-E1271 WeakPolarHBondContact O-CG 3.24Å; V1267-E1271 PolarHBondContact O-N 2.87Å |
| 1268 | T | 81.6 | Confident | 81.7 | Confident | 6 Ų | 6 | 86.3 Ų | 86.3 | 4% | 0.037 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.1 | -26.2 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | Q1264 S1265 Q1272 I1361 | Q1264-T1268 PolarHBondContact O-N 3.29Å; Q1264-T1268 PolarHBondContact O-OG1 3.43Å; Q1264-T1268 VanDerWaalsContact O-OG1 3.07Å; S1265-T1268 PolarHBondContact O-OG1 3.37Å; T1268-Q1272 WeakPolarHBondContact O-CB 3.47Å; T1268-Q1272 VanDerWaalsContact O-CG 3.23Å; T1268-Q1272 WeakPolarHBondContact O-CG 3.45Å; T1268-Q1272 PolarHBondContact O-N 2.67Å; T1268-I1361 HydrophobicContact CG2-CB 3.63Å; T1268-I1361 HydrophobicContact CG2-CD1 3.91Å; T1268-I1361 HydrophobicContact CG2-CG1 4.39Å; T1268-I1361 HydrophobicContact CG2-CG2 3.62Å |
| 1269 | E | 80.1 | Confident | 81.7 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 40% | 0.397 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.6 | -46 | 167.9 | -170.6 | 139.2 | -108.4 | 0 | 0 | 112.3 | S1265 K1266 V1267 E1271 Q1272 E1273 K1362 | S1265-E1269 WeakPolarHBondContact O-CB 3.35Å; S1265-E1269 PolarHBondContact O-N 3.12Å; K1266-E1269 WeakPolarHBondContact O-CB 3.46Å; K1266-E1269 PolarHBondContact O-N 3.18Å; V1267-E1269 VanDerWaalsContact C-N 3.27Å; V1267-E1269 PolarHBondContact O-N 3.14Å; E1269-E1271 VanDerWaalsContact C-N 3.35Å; E1269-Q1272 PolarHBondContact O-N 2.81Å; E1269-E1273 WeakPolarHBondContact O-CG 3.32Å; E1269-E1273 PolarHBondContact O-N 2.84Å; E1269-K1362 VanDerWaalsContact CB-CE 3.41Å; E1269-K1362 VanDerWaalsContact CG-NZ 3.34Å; E1269-K1362 VanDerWaalsContact OE1-CE 3.23Å; E1269-K1362 WeakPolarHBondContact OE1-CE 3.44Å; E1269-K1362 IonicContact OE1-NZ 3.15Å; E1269-K1362 PolarHBondContact OE1-NZ 3.13Å |
| 1270 | Y | 81.4 | Confident | 81.5 | Confident | 149 Ų | 149 | 90 Ų | 90 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.1 | -31.8 | 175.9 | -63.6 | -41 | 0 | 0 | 0 | 112.9 | K1266 V1267 Y1274 | K1266-Y1270 HydrophobicContact CB-CE2 4.21Å; K1266-Y1270 WeakPolarHBondContact O-CD2 3.39Å; K1266-Y1270 VanDerWaalsContact O-CG 3.23Å; K1266-Y1270 PolarHBondContact O-N 3.32Å; V1267-Y1270 CarbonylContact O-C 3.58Å; V1267-Y1270 PolarHBondContact O-N 3.45Å; V1267-Y1270 VanDerWaalsContact O-N 3.09Å; Y1270-Y1274 VanDerWaalsContact O-CB 3.24Å; Y1270-Y1274 WeakPolarHBondContact O-CB 3.19Å; Y1270-Y1274 PolarHBondContact O-N 3.48Å |
| 1271 | E | 83.6 | Confident | 81.3 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 173.8 | -73.2 | 171.5 | 153.8 | 0 | 0 | 111.2 | V1267 E1269 E1273 Y1274 D1275 | V1267-E1271 HydrophobicContact CG1-CG 4.47Å; V1267-E1271 WeakPolarHBondContact O-CG 3.24Å; V1267-E1271 PolarHBondContact O-N 2.87Å; E1269-E1271 VanDerWaalsContact C-N 3.35Å; E1271-E1273 PolarHBondContact O-N 3.31Å; E1271-Y1274 PolarHBondContact O-N 2.77Å; E1271-D1275 PolarHBondContact O-N 2.94Å |
| 1272 | Q | 80.5 | Confident | 81.1 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 172.3 | -73.6 | 169 | 11.7 | 0 | 0 | 112.4 | T1268 E1269 F1276 D1360 I1361 K1362 | T1268-Q1272 WeakPolarHBondContact O-CB 3.47Å; T1268-Q1272 VanDerWaalsContact O-CG 3.23Å; T1268-Q1272 WeakPolarHBondContact O-CG 3.45Å; T1268-Q1272 PolarHBondContact O-N 2.67Å; E1269-Q1272 PolarHBondContact O-N 2.81Å; Q1272-F1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-F1276 PolarHBondContact O-N 3.04Å; Q1272-D1360 PolarHBondContact NE2-O 2.99Å; Q1272-I1361 PolarHBondContact NE2-O 3.39Å; Q1272-K1362 VanDerWaalsContact OE1-CD 3.31Å |
| 1273 | E | 79.7 | Confident | 80.7 | Confident | 109 Ų | 109 | 93.2 Ų | 93.2 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 171.5 | -76.2 | -174.6 | 168.8 | 0 | 0 | 111.9 | E1269 E1271 F1276 I1277 | E1269-E1273 WeakPolarHBondContact O-CG 3.32Å; E1269-E1273 PolarHBondContact O-N 2.84Å; E1271-E1273 PolarHBondContact O-N 3.31Å; E1273-F1276 PolarHBondContact O-N 2.85Å; E1273-I1277 WeakPolarHBondContact O-CB 3.39Å; E1273-I1277 WeakPolarHBondContact O-CD1 3.37Å; E1273-I1277 VanDerWaalsContact O-CG1 3.24Å; E1273-I1277 WeakPolarHBondContact O-CG1 3.5Å; E1273-I1277 PolarHBondContact O-N 3.41Å |
| 1274 | Y | 81.5 | Confident | 80.5 | Confident | 167 Ų | 167 | 93.9 Ų | 93.9 | 66% | 0.655 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 178.2 | -175.5 | -92.4 | 0 | 0 | 0 | 111.8 | Y1270 E1271 I1277 K1278 | Y1270-Y1274 VanDerWaalsContact O-CB 3.24Å; Y1270-Y1274 WeakPolarHBondContact O-CB 3.19Å; Y1270-Y1274 PolarHBondContact O-N 3.48Å; E1271-Y1274 PolarHBondContact O-N 2.77Å; Y1274-I1277 PolarHBondContact O-N 3.48Å; Y1274-K1278 WeakPolarHBondContact O-CB 3.35Å; Y1274-K1278 PolarHBondContact O-N 3.23Å |
| 1275 | D | 80.6 | Confident | 80.1 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.5 | -32.2 | 177.8 | -111.3 | 10.8 | 0 | 0 | 0 | 112.5 | E1271 K1278 K1279 | E1271-D1275 PolarHBondContact O-N 2.94Å; D1275-K1278 PolarHBondContact O-N 3.22Å; D1275-K1278 IonicContact OD1-NZ 3.89Å; D1275-K1279 WeakPolarHBondContact O-CB 3.3Å; D1275-K1279 WeakPolarHBondContact O-CG 3.38Å; D1275-K1279 PolarHBondContact O-N 3.36Å |
| 1276 | F | 80.6 | Confident | 79.8 | Confident | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 168.8 | -179.9 | -96.6 | 0 | 0 | 0 | 111.5 | Q1272 E1273 K1278 K1279 L1280 | Q1272-F1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-F1276 PolarHBondContact O-N 3.04Å; E1273-F1276 PolarHBondContact O-N 2.85Å; F1276-K1278 VanDerWaalsContact C-N 3.33Å; F1276-K1278 PolarHBondContact O-N 3.32Å; F1276-K1279 PolarHBondContact O-N 3.35Å; F1276-L1280 VanDerWaalsContact O-CB 3.31Å; F1276-L1280 WeakPolarHBondContact O-CB 3.45Å; F1276-L1280 PolarHBondContact O-N 3.28Å |
| 1277 | I | 80.8 | Confident | 79.3 | Confident | 94 Ų | 94 | 96.4 Ų | 96.4 | 48% | 0.482 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.4 | -70.4 | 163.9 | 0 | 0 | 0 | 110.5 | E1273 Y1274 L1280 V1281 | E1273-I1277 WeakPolarHBondContact O-CB 3.39Å; E1273-I1277 WeakPolarHBondContact O-CD1 3.37Å; E1273-I1277 VanDerWaalsContact O-CG1 3.24Å; E1273-I1277 WeakPolarHBondContact O-CG1 3.5Å; E1273-I1277 PolarHBondContact O-N 3.41Å; Y1274-I1277 PolarHBondContact O-N 3.48Å; I1277-L1280 WeakPolarHBondContact O-CB 3.3Å; I1277-L1280 PolarHBondContact O-N 3.3Å; I1277-V1281 HydrophobicContact CG2-CG2 4.41Å; I1277-V1281 WeakPolarHBondContact O-CB 3.27Å; I1277-V1281 VanDerWaalsContact O-CG2 3.3Å; I1277-V1281 WeakPolarHBondContact O-CG2 3.41Å; I1277-V1281 PolarHBondContact O-N 3.08Å |
| 1278 | K | 82.2 | Confident | 78.7 | Confident | 95 Ų | 95 | 98.3 Ų | 98.3 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 176.5 | -178.8 | -176.6 | 164.2 | -159.8 | 0 | 111.7 | Y1274 D1275 F1276 L1280 V1281 E1282 | Y1274-K1278 WeakPolarHBondContact O-CB 3.35Å; Y1274-K1278 PolarHBondContact O-N 3.23Å; D1275-K1278 PolarHBondContact O-N 3.22Å; D1275-K1278 IonicContact OD1-NZ 3.89Å; F1276-K1278 VanDerWaalsContact C-N 3.33Å; F1276-K1278 PolarHBondContact O-N 3.32Å; K1278-L1280 VanDerWaalsContact C-N 3.29Å; K1278-L1280 PolarHBondContact O-N 2.97Å; K1278-V1281 PolarHBondContact O-N 2.97Å; K1278-E1282 WeakPolarHBondContact CE-OE1 3.32Å; K1278-E1282 WeakPolarHBondContact CG-OE1 3.36Å; K1278-E1282 WeakPolarHBondContact O-CB 3.49Å; K1278-E1282 WeakPolarHBondContact O-CG 3.33Å; K1278-E1282 PolarHBondContact O-N 2.87Å |
| 1279 | K | 81.4 | Confident | 78.3 | Confident | 139 Ų | 139 | 101.1 Ų | 101.1 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -36.7 | 174.6 | -75.3 | 170.9 | 178.6 | 166.7 | 0 | 112.2 | D1275 F1276 S1283 | D1275-K1279 WeakPolarHBondContact O-CB 3.3Å; D1275-K1279 WeakPolarHBondContact O-CG 3.38Å; D1275-K1279 PolarHBondContact O-N 3.36Å; F1276-K1279 PolarHBondContact O-N 3.35Å; K1279-S1283 WeakPolarHBondContact O-CB 3.4Å; K1279-S1283 PolarHBondContact O-N 2.91Å; K1279-S1283 PolarHBondContact O-OG 3.18Å |
| 1280 | L | 80.1 | Confident | 77.9 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 174.6 | -174 | 67.3 | 0 | 0 | 0 | 111.9 | F1276 I1277 K1278 S1283 T1284 | F1276-L1280 VanDerWaalsContact O-CB 3.31Å; F1276-L1280 WeakPolarHBondContact O-CB 3.45Å; F1276-L1280 PolarHBondContact O-N 3.28Å; I1277-L1280 WeakPolarHBondContact O-CB 3.3Å; I1277-L1280 PolarHBondContact O-N 3.3Å; K1278-L1280 VanDerWaalsContact C-N 3.29Å; K1278-L1280 PolarHBondContact O-N 2.97Å; L1280-S1283 PolarHBondContact O-OG 3.26Å; L1280-S1283 VanDerWaalsContact O-OG 3.05Å; L1280-T1284 VanDerWaalsContact O-CB 3.29Å; L1280-T1284 WeakPolarHBondContact O-CB 3.5Å; L1280-T1284 PolarHBondContact O-N 3.45Å; L1280-T1284 PolarHBondContact O-OG1 3.47Å |
| 1281 | V | 77.8 | Confident | 77.3 | Confident | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 175.7 | 169 | 0 | 0 | 0 | 0 | 110.8 | I1277 K1278 T1284 L1285 | I1277-V1281 HydrophobicContact CG2-CG2 4.41Å; I1277-V1281 WeakPolarHBondContact O-CB 3.27Å; I1277-V1281 VanDerWaalsContact O-CG2 3.3Å; I1277-V1281 WeakPolarHBondContact O-CG2 3.41Å; I1277-V1281 PolarHBondContact O-N 3.08Å; K1278-V1281 PolarHBondContact O-N 2.97Å; V1281-T1284 PolarHBondContact O-N 3.27Å; V1281-L1285 WeakPolarHBondContact O-CB 3.33Å; V1281-L1285 PolarHBondContact O-N 3.38Å |
| 1282 | E | 79 | Confident | 76.9 | Confident | 100 Ų | 100 | 95 Ų | 95 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 179.2 | -73.9 | 173.1 | -179.2 | 0 | 0 | 112.2 | K1278 T1284 L1285 M1286 | K1278-E1282 WeakPolarHBondContact CE-OE1 3.32Å; K1278-E1282 WeakPolarHBondContact CG-OE1 3.36Å; K1278-E1282 WeakPolarHBondContact O-CB 3.49Å; K1278-E1282 WeakPolarHBondContact O-CG 3.33Å; K1278-E1282 PolarHBondContact O-N 2.87Å; E1282-T1284 VanDerWaalsContact C-N 3.35Å; E1282-T1284 PolarHBondContact O-N 2.97Å; E1282-L1285 PolarHBondContact O-N 3.49Å; E1282-M1286 WeakPolarHBondContact O-CB 3.41Å; E1282-M1286 PolarHBondContact O-N 2.85Å |
| 1283 | S | 74.2 | Confident | 76.7 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 174.7 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | K1279 L1280 M1286 K1287 | K1279-S1283 WeakPolarHBondContact O-CB 3.4Å; K1279-S1283 PolarHBondContact O-N 2.91Å; K1279-S1283 PolarHBondContact O-OG 3.18Å; L1280-S1283 PolarHBondContact O-OG 3.26Å; L1280-S1283 VanDerWaalsContact O-OG 3.05Å; S1283-M1286 PolarHBondContact O-N 3.34Å; S1283-K1287 WeakPolarHBondContact O-CG 3.46Å; S1283-K1287 PolarHBondContact O-N 3.49Å |
| 1284 | T | 76.5 | Confident | 76.6 | Confident | 66 Ų | 66 | 99 Ų | 99 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 173.1 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L1280 V1281 E1282 K1287 Q1288 | L1280-T1284 VanDerWaalsContact O-CB 3.29Å; L1280-T1284 WeakPolarHBondContact O-CB 3.5Å; L1280-T1284 PolarHBondContact O-N 3.45Å; L1280-T1284 PolarHBondContact O-OG1 3.47Å; V1281-T1284 PolarHBondContact O-N 3.27Å; E1282-T1284 VanDerWaalsContact C-N 3.35Å; E1282-T1284 PolarHBondContact O-N 2.97Å; T1284-K1287 PolarHBondContact O-N 3.06Å; T1284-Q1288 WeakPolarHBondContact O-CB 3.46Å; T1284-Q1288 WeakPolarHBondContact O-CG 3.31Å; T1284-Q1288 PolarHBondContact O-N 3.18Å |
| 1285 | L | 74.5 | Confident | 76.3 | Confident | 114 Ų | 114 | 95.1 Ų | 95.1 | 60% | 0.597 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 177 | -156.2 | 83.7 | 0 | 0 | 0 | 111.6 | V1281 E1282 Q1288 S1289 | V1281-L1285 WeakPolarHBondContact O-CB 3.33Å; V1281-L1285 PolarHBondContact O-N 3.38Å; E1282-L1285 PolarHBondContact O-N 3.49Å; L1285-Q1288 PolarHBondContact O-N 2.89Å; L1285-S1289 VanDerWaalsContact O-CB 3.3Å; L1285-S1289 WeakPolarHBondContact O-CB 3.48Å; L1285-S1289 PolarHBondContact O-N 3.36Å |
| 1286 | M | 72.5 | Confident | 76.2 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 171.5 | -96.1 | -69.5 | -166.5 | 0 | 0 | 111.5 | E1282 S1283 Q1288 S1289 I1290 I1351 | E1282-M1286 WeakPolarHBondContact O-CB 3.41Å; E1282-M1286 PolarHBondContact O-N 2.85Å; S1283-M1286 PolarHBondContact O-N 3.34Å; M1286-Q1288 VanDerWaalsContact C-N 3.35Å; M1286-Q1288 PolarHBondContact O-N 3.39Å; M1286-S1289 WeakPolarHBondContact O-CB 3.46Å; M1286-S1289 PolarHBondContact O-N 2.82Å; M1286-S1289 VanDerWaalsContact O-N 3.11Å; M1286-I1290 WeakPolarHBondContact O-CD1 3.48Å; M1286-I1290 VanDerWaalsContact O-CG1 3.23Å; M1286-I1290 WeakPolarHBondContact O-CG1 3.35Å; M1286-I1290 PolarHBondContact O-N 2.95Å; M1286-I1351 HydrophobicContact CE-CG2 4.08Å; M1286-I1351 HydrophobicContact SD-CG2 4.23Å |
| 1287 | K | 71.7 | Confident | 76.2 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.4 | -75.8 | -170.8 | 175.9 | -158.4 | 0 | 111.6 | S1283 T1284 S1289 I1290 C1291 T1347 S1348 | S1283-K1287 WeakPolarHBondContact O-CG 3.46Å; S1283-K1287 PolarHBondContact O-N 3.49Å; T1284-K1287 PolarHBondContact O-N 3.06Å; K1287-S1289 VanDerWaalsContact C-N 3.34Å; K1287-S1289 PolarHBondContact O-N 3.34Å; K1287-I1290 PolarHBondContact O-N 3.35Å; K1287-C1291 WeakPolarHBondContact O-CB 3.39Å; K1287-C1291 PolarHBondContact O-N 2.89Å; K1287-C1291 PolarHBondContact O-SG 2.85Å; K1287-C1291 VanDerWaalsContact O-SG 3.41Å; K1287-T1347 PolarHBondContact NZ-O 2.84Å; K1287-S1348 PolarHBondContact NZ-O 3.49Å; K1287-S1348 PolarHBondContact NZ-OG 3.2Å |
| 1288 | Q | 71.8 | Confident | 76 | Confident | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 173.5 | -74 | -177.1 | 0.7 | 0 | 0 | 112.3 | T1284 L1285 M1286 L1292 | T1284-Q1288 WeakPolarHBondContact O-CB 3.46Å; T1284-Q1288 WeakPolarHBondContact O-CG 3.31Å; T1284-Q1288 PolarHBondContact O-N 3.18Å; L1285-Q1288 PolarHBondContact O-N 2.89Å; M1286-Q1288 VanDerWaalsContact C-N 3.35Å; M1286-Q1288 PolarHBondContact O-N 3.39Å; Q1288-L1292 WeakPolarHBondContact O-CB 3.41Å; Q1288-L1292 WeakPolarHBondContact O-CD1 3.5Å; Q1288-L1292 WeakPolarHBondContact O-CG 3.46Å; Q1288-L1292 PolarHBondContact O-N 3.25Å |
| 1289 | S | 73.3 | Confident | 75.7 | Confident | 65 Ų | 65 | 97.8 Ų | 97.8 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | L1285 M1286 K1287 K1293 | L1285-S1289 VanDerWaalsContact O-CB 3.3Å; L1285-S1289 WeakPolarHBondContact O-CB 3.48Å; L1285-S1289 PolarHBondContact O-N 3.36Å; M1286-S1289 WeakPolarHBondContact O-CB 3.46Å; M1286-S1289 PolarHBondContact O-N 2.82Å; M1286-S1289 VanDerWaalsContact O-N 3.11Å; K1287-S1289 VanDerWaalsContact C-N 3.34Å; K1287-S1289 PolarHBondContact O-N 3.34Å; S1289-K1293 WeakPolarHBondContact O-CB 3.35Å; S1289-K1293 PolarHBondContact O-N 3.32Å |
| 1290 | I | 71.8 | Confident | 75.5 | Confident | 53 Ų | 53 | 94.1 Ų | 94.1 | 27% | 0.272 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.3 | -45.5 | 178.5 | -62.5 | 153.9 | 0 | 0 | 0 | 109.7 | M1286 K1287 K1293 H1294 I1351 | M1286-I1290 WeakPolarHBondContact O-CD1 3.48Å; M1286-I1290 VanDerWaalsContact O-CG1 3.23Å; M1286-I1290 WeakPolarHBondContact O-CG1 3.35Å; M1286-I1290 PolarHBondContact O-N 2.95Å; K1287-I1290 PolarHBondContact O-N 3.35Å; I1290-K1293 PolarHBondContact O-N 2.9Å; I1290-H1294 WeakPolarHBondContact O-CB 3.24Å; I1290-H1294 PolarHBondContact O-N 2.95Å; I1290-I1351 HydrophobicContact CD1-CD1 3.55Å; I1290-I1351 HydrophobicContact CG1-CD1 3.97Å |
| 1291 | C | 70 | Confident | 75.4 | Confident | 70 Ų | 70 | 93.2 Ų | 93.2 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.6 | -54.7 | 173.1 | -70.7 | 0 | 0 | 0 | 0 | 110.6 | K1287 K1293 H1294 D1295 | K1287-C1291 WeakPolarHBondContact O-CB 3.39Å; K1287-C1291 PolarHBondContact O-N 2.89Å; K1287-C1291 PolarHBondContact O-SG 2.85Å; K1287-C1291 VanDerWaalsContact O-SG 3.41Å; C1291-K1293 PolarHBondContact O-N 3.28Å; C1291-K1293 VanDerWaalsContact O-N 3.15Å; C1291-H1294 CarbonylContact O-C 3.29Å; C1291-H1294 WeakPolarHBondContact O-CA 3.41Å; C1291-H1294 WeakPolarHBondContact O-CB 3.4Å; C1291-H1294 PolarHBondContact O-N 3.37Å; C1291-D1295 WeakPolarHBondContact O-CB 3.42Å; C1291-D1295 PolarHBondContact O-N 2.8Å |
| 1292 | L | 73.6 | Confident | 75.1 | Confident | 99 Ų | 99 | 93 Ų | 93 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.6 | -34.1 | 176 | -76.1 | 166.4 | 0 | 0 | 0 | 113 | Q1288 I1296 | Q1288-L1292 WeakPolarHBondContact O-CB 3.41Å; Q1288-L1292 WeakPolarHBondContact O-CD1 3.5Å; Q1288-L1292 WeakPolarHBondContact O-CG 3.46Å; Q1288-L1292 PolarHBondContact O-N 3.25Å; L1292-I1296 WeakPolarHBondContact O-CB 3.18Å; L1292-I1296 WeakPolarHBondContact O-CD1 3.44Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.43Å; L1292-I1296 PolarHBondContact O-N 3.33Å |
| 1293 | K | 77.9 | Confident | 74.9 | Confident | 157 Ų | 157 | 94.9 Ų | 94.9 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.8 | -35.9 | 176.1 | -173 | 176.1 | -176.8 | 177.2 | 0 | 112.4 | S1289 I1290 C1291 K1297 | S1289-K1293 WeakPolarHBondContact O-CB 3.35Å; S1289-K1293 PolarHBondContact O-N 3.32Å; I1290-K1293 PolarHBondContact O-N 2.9Å; C1291-K1293 PolarHBondContact O-N 3.28Å; C1291-K1293 VanDerWaalsContact O-N 3.15Å; K1293-K1297 WeakPolarHBondContact O-CB 3.3Å; K1293-K1297 PolarHBondContact O-N 2.82Å |
| 1294 | H | 77.9 | Confident | 74.8 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -51.7 | 170 | -174.3 | -78.9 | 0 | 0 | 0 | 109.6 | I1290 C1291 I1296 K1297 E1298 | I1290-H1294 WeakPolarHBondContact O-CB 3.24Å; I1290-H1294 PolarHBondContact O-N 2.95Å; C1291-H1294 CarbonylContact O-C 3.29Å; C1291-H1294 WeakPolarHBondContact O-CA 3.41Å; C1291-H1294 WeakPolarHBondContact O-CB 3.4Å; C1291-H1294 PolarHBondContact O-N 3.37Å; H1294-I1296 PolarHBondContact O-N 2.8Å; H1294-K1297 CarbonylContact O-C 3.5Å; H1294-K1297 PolarHBondContact O-N 3.09Å; H1294-E1298 IonicContact CE1-OE2 3.94Å; H1294-E1298 PolarHBondContact CE1-OE2 3.26Å; H1294-E1298 VanDerWaalsContact CE1-OE2 3.25Å; H1294-E1298 IonicContact ND1-OE2 2.82Å; H1294-E1298 VanDerWaalsContact O-CB 3.3Å; H1294-E1298 WeakPolarHBondContact O-CB 3.43Å; H1294-E1298 PolarHBondContact O-N 2.83Å |
| 1295 | D | 75.2 | Confident | 74.6 | Confident | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 178.3 | -61.4 | -15.3 | 0 | 0 | 0 | 111.3 | C1291 K1297 L1299 | C1291-D1295 WeakPolarHBondContact O-CB 3.42Å; C1291-D1295 PolarHBondContact O-N 2.8Å; D1295-K1297 VanDerWaalsContact C-N 3.34Å; D1295-K1297 PolarHBondContact O-N 3.43Å; D1295-L1299 WeakPolarHBondContact O-CA 3.34Å; D1295-L1299 WeakPolarHBondContact O-CB 3.45Å; D1295-L1299 PolarHBondContact O-N 2.87Å |
| 1296 | I | 77.9 | Confident | 74 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 174.1 | -74.1 | 164 | 0 | 0 | 0 | 110.9 | L1292 H1294 C1300 | L1292-I1296 WeakPolarHBondContact O-CB 3.18Å; L1292-I1296 WeakPolarHBondContact O-CD1 3.44Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.43Å; L1292-I1296 PolarHBondContact O-N 3.33Å; H1294-I1296 PolarHBondContact O-N 2.8Å; I1296-C1300 WeakPolarHBondContact O-CB 3.47Å; I1296-C1300 PolarHBondContact O-N 3.15Å; I1296-C1300 PolarHBondContact O-SG 3.28Å |
| 1297 | K | 79.4 | Confident | 73.9 | Confident | 156 Ų | 156 | 101.1 Ų | 101.1 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.3 | -40.7 | 179.4 | -168.2 | 179.5 | -175.2 | -174.1 | 0 | 111.4 | K1293 H1294 D1295 C1300 T1301 | K1293-K1297 WeakPolarHBondContact O-CB 3.3Å; K1293-K1297 PolarHBondContact O-N 2.82Å; H1294-K1297 CarbonylContact O-C 3.5Å; H1294-K1297 PolarHBondContact O-N 3.09Å; D1295-K1297 VanDerWaalsContact C-N 3.34Å; D1295-K1297 PolarHBondContact O-N 3.43Å; K1297-C1300 CarbonylContact O-C 3.57Å; K1297-C1300 PolarHBondContact O-N 2.98Å; K1297-T1301 PolarHBondContact O-N 3.24Å; K1297-T1301 PolarHBondContact O-OG1 2.89Å; K1297-T1301 VanDerWaalsContact O-OG1 3.09Å |
| 1298 | E | 77.6 | Confident | 73.4 | Confident | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 172.2 | -177.9 | 172.1 | 166.1 | 0 | 0 | 110.4 | H1294 C1300 T1301 N1302 | H1294-E1298 IonicContact CE1-OE2 3.94Å; H1294-E1298 PolarHBondContact CE1-OE2 3.26Å; H1294-E1298 VanDerWaalsContact CE1-OE2 3.25Å; H1294-E1298 IonicContact ND1-OE2 2.82Å; H1294-E1298 VanDerWaalsContact O-CB 3.3Å; H1294-E1298 WeakPolarHBondContact O-CB 3.43Å; H1294-E1298 PolarHBondContact O-N 2.83Å; E1298-C1300 VanDerWaalsContact C-N 3.29Å; E1298-C1300 PolarHBondContact O-N 3.42Å; E1298-T1301 VanDerWaalsContact CA-OG1 3.27Å; E1298-T1301 WeakPolarHBondContact CA-OG1 3.49Å; E1298-T1301 PolarHBondContact O-N 3.35Å; E1298-T1301 PolarHBondContact O-OG1 3.26Å; E1298-N1302 WeakPolarHBondContact O-CB 3.25Å; E1298-N1302 PolarHBondContact O-N 3.45Å; E1298-N1302 PolarHBondContact O-ND2 2.91Å |
| 1299 | L | 74.9 | Confident | 72.6 | Confident | 111 Ų | 111 | 99.9 Ų | 99.9 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 172.3 | -164.1 | 92.3 | 0 | 0 | 0 | 110 | D1295 N1302 F1303 | D1295-L1299 WeakPolarHBondContact O-CA 3.34Å; D1295-L1299 WeakPolarHBondContact O-CB 3.45Å; D1295-L1299 PolarHBondContact O-N 2.87Å; L1299-N1302 CarbonylContact O-C 3.6Å; L1299-N1302 PolarHBondContact O-N 3.28Å; L1299-F1303 WeakPolarHBondContact O-CA 3.44Å; L1299-F1303 WeakPolarHBondContact O-CB 3.2Å; L1299-F1303 PolarHBondContact O-N 3.05Å |
| 1300 | C | 77.8 | Confident | 71.4 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 42% | 0.419 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.8 | -35.9 | 175.8 | -75.6 | 0 | 0 | 0 | 0 | 112.9 | I1296 K1297 E1298 N1304 | I1296-C1300 WeakPolarHBondContact O-CB 3.47Å; I1296-C1300 PolarHBondContact O-N 3.15Å; I1296-C1300 PolarHBondContact O-SG 3.28Å; K1297-C1300 CarbonylContact O-C 3.57Å; K1297-C1300 PolarHBondContact O-N 2.98Å; E1298-C1300 VanDerWaalsContact C-N 3.29Å; E1298-C1300 PolarHBondContact O-N 3.42Å; C1300-N1304 VanDerWaalsContact O-CB 3.31Å; C1300-N1304 WeakPolarHBondContact O-CB 3.39Å; C1300-N1304 PolarHBondContact O-N 3.48Å; C1300-N1304 PolarHBondContact O-ND2 2.78Å |
| 1301 | T | 77.4 | Confident | 70.1 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 170 | 41.4 | 0 | 0 | 0 | 0 | 110.8 | K1297 E1298 F1303 N1304 V1305 | K1297-T1301 PolarHBondContact O-N 3.24Å; K1297-T1301 PolarHBondContact O-OG1 2.89Å; K1297-T1301 VanDerWaalsContact O-OG1 3.09Å; E1298-T1301 VanDerWaalsContact CA-OG1 3.27Å; E1298-T1301 WeakPolarHBondContact CA-OG1 3.49Å; E1298-T1301 PolarHBondContact O-N 3.35Å; E1298-T1301 PolarHBondContact O-OG1 3.26Å; T1301-F1303 VanDerWaalsContact C-N 3.34Å; T1301-F1303 PolarHBondContact O-N 3.28Å; T1301-N1304 PolarHBondContact O-N 3.34Å; T1301-V1305 WeakPolarHBondContact O-CB 3.21Å; T1301-V1305 VanDerWaalsContact O-CG2 3.26Å; T1301-V1305 WeakPolarHBondContact O-CG2 3.14Å; T1301-V1305 PolarHBondContact O-N 3.46Å |
| 1302 | N | 73.1 | Confident | 68.9 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -34.7 | 175.1 | -71 | -17.1 | 0 | 0 | 0 | 110.9 | E1298 L1299 Y1306 | E1298-N1302 WeakPolarHBondContact O-CB 3.25Å; E1298-N1302 PolarHBondContact O-N 3.45Å; E1298-N1302 PolarHBondContact O-ND2 2.91Å; L1299-N1302 CarbonylContact O-C 3.6Å; L1299-N1302 PolarHBondContact O-N 3.28Å; N1302-Y1306 WeakPolarHBondContact O-CA 3.11Å; N1302-Y1306 WeakPolarHBondContact O-CB 3.43Å; N1302-Y1306 PolarHBondContact O-N 2.84Å |
| 1303 | F | 73.6 | Confident | 67.1 | Low | 140 Ų | 140 | 101.7 Ų | 101.7 | 61% | 0.614 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -76.5 | -30.7 | 175.8 | -148.7 | -83.1 | 0 | 0 | 0 | 111.4 | L1299 T1301 K1307 | L1299-F1303 WeakPolarHBondContact O-CA 3.44Å; L1299-F1303 WeakPolarHBondContact O-CB 3.2Å; L1299-F1303 PolarHBondContact O-N 3.05Å; T1301-F1303 VanDerWaalsContact C-N 3.34Å; T1301-F1303 PolarHBondContact O-N 3.28Å; F1303-K1307 WeakPolarHBondContact O-CA 3.28Å; F1303-K1307 WeakPolarHBondContact O-CB 3.43Å; F1303-K1307 PolarHBondContact O-N 2.8Å |
| 1304 | N | 71.7 | Confident | 65.1 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.7 | -40.1 | 170.9 | -80.2 | -48.3 | 0 | 0 | 0 | 111.8 | C1300 T1301 K1307 N1308 | C1300-N1304 VanDerWaalsContact O-CB 3.31Å; C1300-N1304 WeakPolarHBondContact O-CB 3.39Å; C1300-N1304 PolarHBondContact O-N 3.48Å; C1300-N1304 PolarHBondContact O-ND2 2.78Å; T1301-N1304 PolarHBondContact O-N 3.34Å; N1304-K1307 PolarHBondContact O-N 3.48Å; N1304-N1308 VanDerWaalsContact O-CB 3.27Å; N1304-N1308 WeakPolarHBondContact O-CB 3.27Å; N1304-N1308 PolarHBondContact O-N 2.83Å; N1304-N1308 PolarHBondContact O-ND2 3.15Å; N1304-N1308 PolarHBondContact O-OD1 2.88Å |
| 1305 | V | 72 | Confident | 62.8 | Low | 87 Ų | 87 | 102.3 Ų | 102.3 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -46.8 | 169.6 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | T1301 N1308 S1309 | T1301-V1305 WeakPolarHBondContact O-CB 3.21Å; T1301-V1305 VanDerWaalsContact O-CG2 3.26Å; T1301-V1305 WeakPolarHBondContact O-CG2 3.14Å; T1301-V1305 PolarHBondContact O-N 3.46Å; V1305-N1308 PolarHBondContact O-N 3.42Å; V1305-S1309 VanDerWaalsContact O-CB 3.29Å; V1305-S1309 WeakPolarHBondContact O-CB 3.27Å; V1305-S1309 PolarHBondContact O-N 3.4Å; V1305-S1309 PolarHBondContact O-OG 2.65Å |
| 1306 | Y | 62.5 | Low | 60.7 | Low | 149 Ų | 149 | 102.1 Ų | 102.1 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -44.6 | 176.2 | -162.9 | -96.2 | 0 | 0 | 0 | 110.7 | N1302 N1308 S1309 L1310 | N1302-Y1306 WeakPolarHBondContact O-CA 3.11Å; N1302-Y1306 WeakPolarHBondContact O-CB 3.43Å; N1302-Y1306 PolarHBondContact O-N 2.84Å; Y1306-N1308 PolarHBondContact O-N 2.78Å; Y1306-S1309 CarbonylContact O-C 3.17Å; Y1306-S1309 PolarHBondContact O-N 3.38Å; Y1306-L1310 HydrophobicContact CD1-CD2 4.35Å; Y1306-L1310 HydrophobicContact CE1-CD1 3.89Å; Y1306-L1310 HydrophobicContact CE1-CD2 4.02Å; Y1306-L1310 HydrophobicContact CE1-CG 4.43Å; Y1306-L1310 WeakPolarHBondContact O-CB 3.3Å; Y1306-L1310 PolarHBondContact O-N 3.35Å |
| 1307 | K | 69.9 | Low | 58.5 | Low | 134 Ų | 134 | 102 Ų | 102 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -40.1 | 175.4 | -178.9 | 179 | -179.9 | -178.4 | 0 | 112.7 | F1303 N1304 L1310 G1311 | F1303-K1307 WeakPolarHBondContact O-CA 3.28Å; F1303-K1307 WeakPolarHBondContact O-CB 3.43Å; F1303-K1307 PolarHBondContact O-N 2.8Å; N1304-K1307 PolarHBondContact O-N 3.48Å; K1307-L1310 PolarHBondContact O-N 3Å; K1307-G1311 PolarHBondContact O-N 2.77Å |
| 1308 | N | 62 | Low | 56.3 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.8 | -34.2 | 175.2 | -66.9 | -13.3 | 0 | 0 | 0 | 111.6 | N1304 V1305 Y1306 S1312 | N1304-N1308 VanDerWaalsContact O-CB 3.27Å; N1304-N1308 WeakPolarHBondContact O-CB 3.27Å; N1304-N1308 PolarHBondContact O-N 2.83Å; N1304-N1308 PolarHBondContact O-ND2 3.15Å; N1304-N1308 PolarHBondContact O-OD1 2.88Å; V1305-N1308 PolarHBondContact O-N 3.42Å; Y1306-N1308 PolarHBondContact O-N 2.78Å; N1308-S1312 PolarHBondContact O-OG 2.71Å |
| 1309 | S | 54.6 | Low | 54.2 | Low | 69 Ų | 69 | 104.5 Ų | 104.5 | 48% | 0.483 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.2 | -34.2 | 173.8 | -62.3 | 0 | 0 | 0 | 0 | 113 | V1305 Y1306 S1312 S1313 | V1305-S1309 VanDerWaalsContact O-CB 3.29Å; V1305-S1309 WeakPolarHBondContact O-CB 3.27Å; V1305-S1309 PolarHBondContact O-N 3.4Å; V1305-S1309 PolarHBondContact O-OG 2.65Å; Y1306-S1309 CarbonylContact O-C 3.17Å; Y1306-S1309 PolarHBondContact O-N 3.38Å; S1309-S1312 CarbonylContact O-C 3.58Å; S1309-S1312 WeakPolarHBondContact O-CA 3.21Å; S1309-S1312 WeakPolarHBondContact O-CB 3.49Å; S1309-S1312 PolarHBondContact O-N 3.38Å; S1309-S1313 PolarHBondContact O-N 3.36Å |
| 1310 | L | 48.2 | Very low | 52.1 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 55% | 0.55 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.9 | -26 | 179.5 | -153 | 75.5 | 0 | 0 | 0 | 111.4 | Y1306 K1307 S1312 | Y1306-L1310 HydrophobicContact CD1-CD2 4.35Å; Y1306-L1310 HydrophobicContact CE1-CD1 3.89Å; Y1306-L1310 HydrophobicContact CE1-CD2 4.02Å; Y1306-L1310 HydrophobicContact CE1-CG 4.43Å; Y1306-L1310 WeakPolarHBondContact O-CB 3.3Å; Y1306-L1310 PolarHBondContact O-N 3.35Å; K1307-L1310 PolarHBondContact O-N 3Å; L1310-S1312 PolarHBondContact O-N 2.83Å |
| 1311 | G | 45.5 | Very low | 50.1 | Low | 72 Ų | 72 | 110.7 Ų | 110.7 | 74% | 0.742 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -1.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1307 | K1307-G1311 PolarHBondContact O-N 2.77Š|
| 1312 | S | 43.9 | Very low | 47.9 | Very low | 94 Ų | 94 | 114.4 Ų | 114.4 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 10.2 | -178.6 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | N1308 S1309 L1310 | N1308-S1312 PolarHBondContact O-OG 2.71Å; S1309-S1312 CarbonylContact O-C 3.58Å; S1309-S1312 WeakPolarHBondContact O-CA 3.21Å; S1309-S1312 WeakPolarHBondContact O-CB 3.49Å; S1309-S1312 PolarHBondContact O-N 3.38Å; L1310-S1312 PolarHBondContact O-N 2.83Å |
| 1313 | S | 35.2 | Very low | 45.7 | Very low | 55 Ų | 55 | 115.6 Ų | 115.6 | 39% | 0.385 | 64% | 0.638 | S | S | . | * | trans | -156.7 | 118.4 | 166.4 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | S1309 A1315 | S1309-S1313 PolarHBondContact O-N 3.36Å; S1313-A1315 VanDerWaalsContact OG-C 3.24Å; S1313-A1315 PolarHBondContact OG-O 3.42Å; S1313-A1315 VanDerWaalsContact OG-O 3.09Å | ||
| 1314 | E | 37 | Very low | 43.5 | Very low | 201 Ų | 201 | 113.2 Ų | 113.2 | 94% | 0.939 | 64% | 0.639 | S | S | * | * | S | Bend | cis | 6.9 | 91.8 | -6.3 | -62.4 | -148.2 | 102 | 0 | 0 | 117.3 | ||
| 1315 | A | 29.4 | Very low | 41.3 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | S | Bend | cis | -144.4 | 173.4 | 11.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1313 | S1313-A1315 VanDerWaalsContact OG-C 3.24Å; S1313-A1315 PolarHBondContact OG-O 3.42Å; S1313-A1315 VanDerWaalsContact OG-O 3.09Å |
| 1316 | A | 31.3 | Very low | 39.1 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | trans | 63.3 | 92.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1317 | S | 32.6 | Very low | 37.3 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | 71.6 | 110.1 | 82.7 | -78.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1318 | N | 32.8 | Very low | 35.3 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | 89 | 127.8 | 120 | -80.9 | -28.2 | 0 | 0 | 0 | 119.6 | |||||
| 1319 | K | 33.6 | Very low | 33.9 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 70% | 0.7 | 69% | 0.686 | S | S | * | * | trans | 80.2 | 102.5 | 138.2 | -72.3 | -168.5 | 169.2 | -168.2 | 0 | 117.2 | ||||
| 1320 | F | 29.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | 69 | 156.8 | 123.9 | -62.5 | -58.3 | 0 | 0 | 0 | 115.4 | H1323 | F1320-H1323 AromaticContact CD1-NE2 3.43Å; F1320-H1323 WeakPolarHBondContact CD1-NE2 3.32Å; F1320-H1323 AromaticContact CE1-NE2 3.73Å | |||
| 1321 | E | 36 | Very low | 32.2 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | cis | -155.1 | 77.1 | 27.8 | -149.3 | 144.9 | -154.8 | 0 | 0 | 111.1 | H1323 | E1321-H1323 HydrophobicContact CG-CB 4.18Å; E1321-H1323 WeakPolarHBondContact CG-CD2 3.48Å; E1321-H1323 PolarHBondContact O-N 3.19Å | ||
| 1322 | T | 30.9 | Very low | 31.6 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 93% | 0.933 | 72% | 0.715 | S | S | * | * | trans | -79.8 | 52 | 172.7 | 41.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1323 | H | 28.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 134 Ų | 134 | 51% | 0.514 | 72% | 0.723 | S | S | . | * | trans | -83.6 | 134.7 | -174 | -84.1 | -109.4 | 0 | 0 | 0 | 111 | F1320 E1321 | F1320-H1323 AromaticContact CD1-NE2 3.43Å; F1320-H1323 WeakPolarHBondContact CD1-NE2 3.32Å; F1320-H1323 AromaticContact CE1-NE2 3.73Å; E1321-H1323 HydrophobicContact CG-CB 4.18Å; E1321-H1323 WeakPolarHBondContact CG-CD2 3.48Å; E1321-H1323 PolarHBondContact O-N 3.19Å | ||
| 1324 | S | 26.2 | Very low | 30.9 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | 71.2 | 132.5 | 81.4 | -142 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1325 | T | 26.4 | Very low | 30.8 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | cis | -174.9 | 171.8 | 5.8 | 4.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1326 | Q | 25 | Very low | 30.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 80.3 | 150 | 147.8 | -126.6 | 67.8 | 9.5 | 0 | 0 | 121.4 | ||||
| 1327 | T | 23.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | trans | 66.3 | 110.3 | 157.6 | 47.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1328 | E | 27.9 | Very low | 30.3 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | 85.6 | 111.2 | 63.1 | -76.7 | 179.2 | 156.5 | 0 | 0 | 113.9 | |||||
| 1329 | R | 33.4 | Very low | 30.1 | Very low | 233 Ų | 233 | 145.9 Ų | 145.9 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | 63.2 | 139.1 | 164.5 | -68 | -174.2 | 177.1 | 133.7 | -1.1 | 120.6 | ||||
| 1330 | D | 33.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 64.9 | 146 | 149.5 | -58.6 | -33.7 | 0 | 0 | 0 | 123.1 | ||||
| 1331 | N | 33.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | 74.7 | 149.4 | 168.7 | -46.5 | -67.5 | 0 | 0 | 0 | 117 | ||||
| 1332 | G | 33.7 | Very low | 30.1 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | 154.6 | 161 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1333 | K | 32.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | cis | -173.7 | 111.1 | -10.3 | -176.6 | -165.4 | 176.1 | -175.4 | 0 | 110.6 | V1335 | K1333-V1335 HydrophobicContact CD-CG2 4.34Å; K1333-V1335 HydrophobicContact CG-CG2 3.88Å | ||
| 1334 | L | 30.4 | Very low | 30.3 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | trans | -149.9 | 66.6 | 177.9 | -114.9 | 162.4 | 0 | 0 | 0 | 110.8 | ||||
| 1335 | V | 35.1 | Very low | 30.7 | Very low | 91 Ų | 91 | 148 Ų | 148 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | 89.5 | 111.4 | 74.5 | 175.3 | 0 | 0 | 0 | 0 | 113.8 | K1333 | K1333-V1335 HydrophobicContact CD-CG2 4.34Å; K1333-V1335 HydrophobicContact CG-CG2 3.88Å | |||
| 1336 | I | 26.8 | Very low | 30.9 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | 71.1 | 130.9 | 169.9 | -58.4 | 160.4 | 0 | 0 | 0 | 115.5 | ||||
| 1337 | E | 27.8 | Very low | 31.1 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | -173.4 | 145.6 | -28.1 | -109.3 | 154.9 | -151.5 | 0 | 0 | 106.9 | ||||
| 1338 | Q | 28.4 | Very low | 31.3 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | 103.6 | 125.1 | 172.1 | -59.2 | -173.9 | -13.4 | 0 | 0 | 121.5 | ||||
| 1339 | T | 29.8 | Very low | 31.7 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | 72.7 | 139.5 | 153.7 | 55.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1340 | S | 34.4 | Very low | 31.6 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -132.4 | 128.5 | -140.7 | 52.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1341 | F | 29 | Very low | 31.4 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 91% | 0.912 | 75% | 0.75 | S | S | * | * | trans | -148.6 | 159.8 | 167.3 | -95.3 | -88 | 0 | 0 | 0 | 110.9 | ||||
| 1342 | I | 34.6 | Very low | 31.4 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | 83.9 | 124.4 | 173.5 | -51.6 | 174.6 | 0 | 0 | 0 | 117.2 | ||||
| 1343 | N | 33.2 | Very low | 31.1 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -156.8 | 117.6 | 149.8 | -105.8 | -19.2 | 0 | 0 | 0 | 110.3 | ||||
| 1344 | I | 30.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 60.6 | 133.4 | 133.8 | -55.6 | 166.8 | 0 | 0 | 0 | 119.5 | ||||
| 1345 | P | 34.9 | Very low | 30.9 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | cis | -143.1 | -164.2 | -27.6 | 42.4 | -21 | 0 | 0 | 0 | 115.1 | ||||
| 1346 | D | 29.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 74.7 | 79.8 | 150.6 | -60.6 | -19.1 | 0 | 0 | 0 | 124.4 | ||||
| 1347 | T | 30 | Very low | 30.9 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | 48.5 | 148.4 | 119.7 | 71 | 0 | 0 | 0 | 0 | 124.8 | K1287 | K1287-T1347 PolarHBondContact NZ-O 2.84Š| |||
| 1348 | S | 27.7 | Very low | 31.2 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 50% | 0.497 | 76% | 0.755 | S | S | . | * | trans | 81.9 | 101.3 | 155.2 | 66.3 | 0 | 0 | 0 | 0 | 119.3 | K1287 | K1287-S1348 PolarHBondContact NZ-O 3.49Å; K1287-S1348 PolarHBondContact NZ-OG 3.2Å | ||
| 1349 | S | 36.7 | Very low | 31.3 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -74.6 | 148.8 | 158.7 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1350 | L | 31.5 | Very low | 31.4 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | 146 | 143.5 | 148.8 | -83.4 | 159.3 | 0 | 0 | 0 | 112.5 | ||||
| 1351 | I | 29.3 | Very low | 31.4 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 49% | 0.492 | 72% | 0.722 | S | S | . | * | trans | 90.8 | 144.8 | 156.3 | -71.6 | 154.7 | 0 | 0 | 0 | 119.3 | M1286 I1290 | M1286-I1351 HydrophobicContact CE-CG2 4.08Å; M1286-I1351 HydrophobicContact SD-CG2 4.23Å; I1290-I1351 HydrophobicContact CD1-CD1 3.55Å; I1290-I1351 HydrophobicContact CG1-CD1 3.97Å | ||
| 1352 | N | 33.9 | Very low | 31.9 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | trans | 74.7 | 119.4 | -173.5 | -59.7 | -1.8 | 0 | 0 | 0 | 114.4 | ||||
| 1353 | D | 27.9 | Very low | 31.6 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | cis | 60.7 | 113.3 | 12.4 | -70 | -10.3 | 0 | 0 | 0 | 117 | ||||
| 1354 | D | 28.2 | Very low | 31.8 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | trans | 75.8 | 129.5 | 144.2 | -74.6 | -12.1 | 0 | 0 | 0 | 124.8 | ||||
| 1355 | I | 29.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | trans | 90.7 | 104 | 149.8 | -60.9 | 152.1 | 0 | 0 | 0 | 119.8 | ||||
| 1356 | V | 32.3 | Very low | 31.7 | Very low | 145 Ų | 145 | 119 Ų | 119 | 88% | 0.879 | 65% | 0.654 | S | S | * | * | trans | 35.4 | 125.8 | 130.5 | -170.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1357 | G | 29.4 | Very low | 31.6 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | trans | 150.8 | 93.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1358 | E | 33.5 | Very low | 31.5 | Very low | 203 Ų | 203 | 118.2 Ų | 118.2 | 95% | 0.949 | 65% | 0.649 | S | S | * | * | trans | -139.3 | 87 | 175.3 | -155.2 | 164.3 | -130.9 | 0 | 0 | 109.4 | ||||
| 1359 | E | 30.6 | Very low | 31.5 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | trans | -130.6 | 152.5 | 167.2 | -122.6 | 172.8 | -174.2 | 0 | 0 | 107.9 | ||||
| 1360 | D | 32.3 | Very low | 31.2 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | trans | 85.6 | 101.7 | 165.2 | -72 | -10 | 0 | 0 | 0 | 124.9 | Q1272 | Q1272-D1360 PolarHBondContact NE2-O 2.99Š| ||
| 1361 | I | 35.2 | Very low | 31 | Very low | 60 Ų | 60 | 127.2 Ų | 127.2 | 31% | 0.308 | 68% | 0.676 | S | S | . | * | 72.2 | 124 | 123.9 | -52.4 | 159.3 | 0 | 0 | 0 | 120.5 | T1268 Q1272 L1363 | T1268-I1361 HydrophobicContact CG2-CB 3.63Å; T1268-I1361 HydrophobicContact CG2-CD1 3.91Å; T1268-I1361 HydrophobicContact CG2-CG1 4.39Å; T1268-I1361 HydrophobicContact CG2-CG2 3.62Å; Q1272-I1361 PolarHBondContact NE2-O 3.39Å; I1361-L1363 HydrophobicContact CG2-CB 3.84Å; I1361-L1363 HydrophobicContact CG2-CD1 3.42Å; I1361-L1363 VanDerWaalsContact CG2-CD1 3.42Å; I1361-L1363 HydrophobicContact CG2-CG 3.66Å | |||
| 1362 | K | 37.8 | Very low | 31 | Very low | 101 Ų | 101 | 126 Ų | 126 | 44% | 0.439 | 69% | 0.687 | S | S | . | * | trans | -170.5 | 66.1 | 148.3 | -104.9 | -179.6 | -169 | 177 | 0 | 109 | E1269 Q1272 | E1269-K1362 VanDerWaalsContact CB-CE 3.41Å; E1269-K1362 VanDerWaalsContact CG-NZ 3.34Å; E1269-K1362 VanDerWaalsContact OE1-CE 3.23Å; E1269-K1362 WeakPolarHBondContact OE1-CE 3.44Å; E1269-K1362 IonicContact OE1-NZ 3.15Å; E1269-K1362 PolarHBondContact OE1-NZ 3.13Å; Q1272-K1362 VanDerWaalsContact OE1-CD 3.31Å | ||
| 1363 | L | 30.1 | Very low | 30.7 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 33% | 0.325 | 69% | 0.689 | S | S | . | * | 72.1 | 139.6 | 83.7 | -115.4 | 171.1 | 0 | 0 | 0 | 117.1 | C1261 Q1264 S1265 I1361 | C1261-L1363 HydrophobicContact CB-CD2 3.86Å; Q1264-L1363 VanDerWaalsContact C-CD1 3.45Å; Q1264-L1363 HydrophobicContact CB-CD1 3.65Å; Q1264-L1363 HydrophobicContact CG-CD1 3.75Å; S1265-L1363 WeakPolarHBondContact OG-CB 3.5Å; I1361-L1363 HydrophobicContact CG2-CB 3.84Å; I1361-L1363 HydrophobicContact CG2-CD1 3.42Å; I1361-L1363 VanDerWaalsContact CG2-CD1 3.42Å; I1361-L1363 HydrophobicContact CG2-CG 3.66Å | |||
| 1364 | K | 36.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | trans | -60.5 | 156.8 | -169.3 | -74.8 | 172 | 172.1 | 173.5 | 0 | 115.1 | ||||
| 1365 | N | 31.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 70% | 0.699 | S | S | * | * | trans | -140.9 | 111.6 | 137.6 | -102.9 | -39 | 0 | 0 | 0 | 109.7 | K1262 | K1262-N1365 WeakPolarHBondContact CE-OD1 3.49Å; K1262-N1365 WeakPolarHBondContact CG-OD1 3.34Å | ||
| 1366 | C | 31.9 | Very low | 30.5 | Very low | 65 Ų | 65 | 131 Ų | 131 | 44% | 0.439 | 70% | 0.703 | S | S | . | * | trans | -84.6 | 157.8 | 161.8 | -63.6 | 0 | 0 | 0 | 0 | 109.3 | E1258 | E1258-C1366 HydrophobicContact CG-CB 4.37Å; E1258-C1366 WeakPolarHBondContact OE1-CB 3.47Å | ||
| 1367 | F | 27.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | trans | -175 | 108.4 | 156.1 | -85.1 | -64 | 0 | 0 | 0 | 104.1 | K1262 | K1262-F1367 VanDerWaalsContact NZ-CZ 3.27Š| ||
| 1368 | A | 27.6 | Very low | 30.4 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | 57.4 | 122.3 | 81.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1369 | N | 27.1 | Very low | 30.4 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | cis | -152.2 | 156.2 | 49.5 | -68.6 | -48 | 0 | 0 | 0 | 113.8 | ||||
| 1370 | E | 31.9 | Very low | 30.6 | Very low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | trans | -64.5 | 166.9 | 149.8 | -62.6 | 179.7 | 112.1 | 0 | 0 | 112.1 | ||||
| 1371 | I | 27.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | 146.1 | 119.4 | 145.5 | -76.4 | 156.5 | 0 | 0 | 0 | 106.6 | ||||
| 1372 | G | 28.3 | Very low | 30.3 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -79.3 | -141.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1373 | S | 28.7 | Very low | 30 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 98.3 | 95.7 | 170.4 | -155.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1374 | Y | 26.3 | Very low | 30.2 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | 58.4 | 141.9 | 144.7 | -66.7 | -97.4 | 0 | 0 | 0 | 122.2 | ||||
| 1375 | K | 28.4 | Very low | 30 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -45.9 | 138.7 | 161.1 | -65.5 | 168.6 | 174.5 | 170.8 | 0 | 111.6 | ||||
| 1376 | V | 26.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | -162.6 | 147.9 | 123.6 | 144.4 | 0 | 0 | 0 | 0 | 109.3 | V1378 | V1376-V1378 HydrophobicContact CG1-CG2 4.12Š| |||
| 1377 | N | 31.7 | Very low | 29.9 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -106.7 | 117.1 | -170.9 | 172.7 | 31.2 | 0 | 0 | 0 | 110.9 | ||||
| 1378 | V | 27 | Very low | 30.3 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -149.5 | 109.7 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | V1376 | V1376-V1378 HydrophobicContact CG1-CG2 4.12Š| ||
| 1379 | D | 34.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -75.4 | 178.4 | 159.7 | -117 | -35.7 | 0 | 0 | 0 | 110.8 | ||||
| 1380 | P | 35.6 | Very low | 30.3 | Very low | 87 Ų | 87 | 143 Ų | 143 | 57% | 0.565 | 78% | 0.784 | S | S | * | * | cis | -141 | -178.1 | -15.8 | 39.4 | -19.5 | 0 | 0 | 0 | 115.4 | ||||
| 1381 | Q | 31.6 | Very low | 30.5 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | 44.7 | 125 | 142.8 | -70.4 | 163.6 | -10.4 | 0 | 0 | 123.2 | ||||
| 1382 | N | 29.7 | Very low | 30.7 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | -168.3 | 160 | 112.6 | -108.5 | -54.1 | 0 | 0 | 0 | 117.1 | |||||
| 1383 | N | 31.3 | Very low | 30.8 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -79 | 157.7 | -169.1 | -59.4 | -75.2 | 0 | 0 | 0 | 116.7 | ||||
| 1384 | I | 33.3 | Very low | 31.2 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | -135.5 | 138.5 | 128.4 | -62.7 | -171.9 | 0 | 0 | 0 | 109.6 | |||||
| 1385 | Q | 33.6 | Very low | 31.6 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -104.7 | 162.4 | 179.7 | -63.8 | 174.3 | -14 | 0 | 0 | 112.3 | ||||
| 1386 | I | 32.5 | Very low | 32.1 | Very low | 163 Ų | 163 | 132 Ų | 132 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | -178.3 | 88 | 145.6 | -89.8 | 144.5 | 0 | 0 | 0 | 104.7 | ||||
| 1387 | S | 29.1 | Very low | 32.8 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | 95.9 | 93.6 | 74.5 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1388 | D | 33.5 | Very low | 33.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | 32.7 | 130.9 | 139.2 | -155.6 | 13.1 | 0 | 0 | 0 | 121.1 | ||||
| 1389 | V | 27.7 | Very low | 35.1 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | -179.1 | 132.3 | 118.1 | 150.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1390 | G | 28.9 | Very low | 36.6 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | 110.9 | 83.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | P1392 | G1390-P1392 VanDerWaalsContact O-CD 3.3Å; G1390-P1392 WeakPolarHBondContact O-CD 3.47Å | ||
| 1391 | K | 34.4 | Very low | 38.1 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 92% | 0.922 | 70% | 0.704 | S | S | * | * | trans | -71.4 | 124.6 | 169.4 | -68.4 | 172.4 | 178.3 | 170.4 | 0 | 112.2 | ||||
| 1392 | P | 32 | Very low | 39.9 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | trans | -86.4 | 129.1 | 155 | -4.8 | 25.7 | 0 | 0 | 0 | 109.2 | G1390 I1396 | G1390-P1392 VanDerWaalsContact O-CD 3.3Å; G1390-P1392 WeakPolarHBondContact O-CD 3.47Å; P1392-I1396 HydrophobicContact CB-CD1 4.06Å | ||
| 1393 | T | 29.7 | Very low | 42.2 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 53% | 0.528 | 68% | 0.679 | S | S | . | * | trans | -40.2 | 148.3 | -175 | 50.5 | 0 | 0 | 0 | 0 | 117.2 | N1395 I1396 | T1393-N1395 PolarHBondContact O-N 3.11Å; T1393-I1396 PolarHBondContact O-N 3.16Å | ||
| 1394 | P | 37 | Very low | 44.2 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -7.2 | 179.5 | 27.2 | -36 | 0 | 0 | 0 | 115.1 | I1396 | P1394-I1396 VanDerWaalsContact C-N 3.3Å; P1394-I1396 PolarHBondContact O-N 3.46Å |
| 1395 | N | 35.6 | Very low | 46.2 | Very low | 119 Ų | 119 | 123 Ų | 123 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -26 | 173.7 | -74.5 | -8.6 | 0 | 0 | 0 | 113.3 | T1393 Y1399 | T1393-N1395 PolarHBondContact O-N 3.11Å; N1395-Y1399 VanDerWaalsContact O-CB 3.24Å; N1395-Y1399 WeakPolarHBondContact O-CB 3.32Å; N1395-Y1399 PolarHBondContact O-N 3.42Å |
| 1396 | I | 38.6 | Very low | 48.3 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -75.5 | -34.2 | -176.4 | -63.2 | 172.4 | 0 | 0 | 0 | 111.8 | P1392 T1393 P1394 Y1399 N1400 | P1392-I1396 HydrophobicContact CB-CD1 4.06Å; T1393-I1396 PolarHBondContact O-N 3.16Å; P1394-I1396 VanDerWaalsContact C-N 3.3Å; P1394-I1396 PolarHBondContact O-N 3.46Å; I1396-Y1399 PolarHBondContact O-N 3.22Å; I1396-N1400 PolarHBondContact O-N 2.67Å |
| 1397 | R | 41.2 | Very low | 50.5 | Low | 199 Ų | 199 | 115.2 Ų | 115.2 | 75% | 0.751 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.9 | -49.1 | 171.8 | -70.9 | -168.9 | -171.1 | -166.4 | 2 | 111.5 | Y1399 N1400 E1401 | R1397-Y1399 VanDerWaalsContact C-N 3.27Å; R1397-Y1399 PolarHBondContact O-N 3.1Å; R1397-N1400 PolarHBondContact O-N 3.11Å; R1397-N1400 VanDerWaalsContact O-N 3.13Å; R1397-E1401 WeakPolarHBondContact O-CG 3.47Å; R1397-E1401 PolarHBondContact O-N 3.08Å |
| 1398 | K | 51.5 | Low | 52.9 | Low | 152 Ų | 152 | 115 Ų | 115 | 66% | 0.661 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.3 | -37.7 | 173.2 | -87.2 | -170.1 | 173 | -175.8 | 0 | 112.7 | L1402 | K1398-L1402 WeakPolarHBondContact O-CB 3.32Å; K1398-L1402 PolarHBondContact O-N 3.01Å |
| 1399 | Y | 56.2 | Low | 55.2 | Low | 156 Ų | 156 | 112.7 Ų | 112.7 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.4 | -38 | 176.8 | -169.7 | -95.4 | 0 | 0 | 0 | 112.1 | N1395 I1396 R1397 K1403 | N1395-Y1399 VanDerWaalsContact O-CB 3.24Å; N1395-Y1399 WeakPolarHBondContact O-CB 3.32Å; N1395-Y1399 PolarHBondContact O-N 3.42Å; I1396-Y1399 PolarHBondContact O-N 3.22Å; R1397-Y1399 VanDerWaalsContact C-N 3.27Å; R1397-Y1399 PolarHBondContact O-N 3.1Å; Y1399-K1403 HydrophobicContact CE1-CD 4.4Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.27Å; Y1399-K1403 PolarHBondContact O-N 3.01Å |
| 1400 | N | 65.5 | Low | 58 | Low | 84 Ų | 84 | 111.3 Ų | 111.3 | 45% | 0.449 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.8 | -42.3 | 175.7 | -75.6 | -12.1 | 0 | 0 | 0 | 112.3 | I1396 R1397 K1403 V1404 | I1396-N1400 PolarHBondContact O-N 2.67Å; R1397-N1400 PolarHBondContact O-N 3.11Å; R1397-N1400 VanDerWaalsContact O-N 3.13Å; N1400-K1403 PolarHBondContact O-N 2.91Å; N1400-V1404 WeakPolarHBondContact O-CG2 3.47Å; N1400-V1404 PolarHBondContact O-N 3.02Å |
| 1401 | E | 66.4 | Low | 60.3 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.8 | -45.5 | 172.1 | -72 | 162.3 | -160.4 | 0 | 0 | 111.4 | R1397 K1403 V1404 A1405 | R1397-E1401 WeakPolarHBondContact O-CG 3.47Å; R1397-E1401 PolarHBondContact O-N 3.08Å; E1401-K1403 VanDerWaalsContact C-N 3.31Å; E1401-K1403 PolarHBondContact O-N 3.02Å; E1401-V1404 PolarHBondContact O-N 2.97Å; E1401-A1405 WeakPolarHBondContact O-CB 3.23Å; E1401-A1405 PolarHBondContact O-N 3.33Å |
| 1402 | L | 70.5 | Confident | 62.6 | Low | 125 Ų | 125 | 108.6 Ų | 108.6 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -31.8 | 176.5 | -159.6 | 79.7 | 0 | 0 | 0 | 112.1 | K1398 A1406 | K1398-L1402 WeakPolarHBondContact O-CB 3.32Å; K1398-L1402 PolarHBondContact O-N 3.01Å; L1402-A1406 WeakPolarHBondContact O-CB 3.27Å; L1402-A1406 PolarHBondContact O-N 2.7Å |
| 1403 | K | 77.1 | Confident | 64.9 | Low | 105 Ų | 105 | 108.5 Ų | 108.5 | 46% | 0.457 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.6 | -45.5 | 174.9 | -178.5 | 179.6 | 178.4 | -171.1 | 0 | 110.7 | Y1399 N1400 E1401 A1406 F1407 | Y1399-K1403 HydrophobicContact CE1-CD 4.4Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.27Å; Y1399-K1403 PolarHBondContact O-N 3.01Å; N1400-K1403 PolarHBondContact O-N 2.91Å; E1401-K1403 VanDerWaalsContact C-N 3.31Å; E1401-K1403 PolarHBondContact O-N 3.02Å; K1403-A1406 PolarHBondContact O-N 3.17Å; K1403-F1407 HydrophobicContact CD-CE2 4.46Å; K1403-F1407 HydrophobicContact CG-CD2 3.85Å; K1403-F1407 HydrophobicContact CG-CE2 3.81Å; K1403-F1407 VanDerWaalsContact O-CD2 3.24Å; K1403-F1407 WeakPolarHBondContact O-CD2 3.28Å; K1403-F1407 PolarHBondContact O-N 3.41Å |
| 1404 | V | 74.6 | Confident | 67.4 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.3 | -51.3 | 173 | 170.9 | 0 | 0 | 0 | 0 | 109.8 | N1400 E1401 A1406 F1407 E1408 | N1400-V1404 WeakPolarHBondContact O-CG2 3.47Å; N1400-V1404 PolarHBondContact O-N 3.02Å; E1401-V1404 PolarHBondContact O-N 2.97Å; V1404-A1406 VanDerWaalsContact C-N 3.31Å; V1404-A1406 PolarHBondContact O-N 3.04Å; V1404-F1407 PolarHBondContact O-N 2.9Å; V1404-F1407 VanDerWaalsContact O-N 3.15Å; V1404-E1408 WeakPolarHBondContact O-CB 3.42Å; V1404-E1408 PolarHBondContact O-N 2.88Å |
| 1405 | A | 75 | Confident | 69.3 | Low | 38 Ų | 38 | 105.6 Ų | 105.6 | 31% | 0.314 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1401 E1408 I1409 | E1401-A1405 WeakPolarHBondContact O-CB 3.23Å; E1401-A1405 PolarHBondContact O-N 3.33Å; A1405-E1408 PolarHBondContact O-N 3.3Å; A1405-I1409 VanDerWaalsContact O-CB 3.28Å; A1405-I1409 WeakPolarHBondContact O-CB 3.48Å; A1405-I1409 WeakPolarHBondContact O-CD1 3.25Å; A1405-I1409 WeakPolarHBondContact O-CG1 3.44Å; A1405-I1409 PolarHBondContact O-N 3.36Å |
| 1406 | A | 76.9 | Confident | 71.6 | Confident | 55 Ų | 55 | 109.6 Ų | 109.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1402 K1403 V1404 K1410 | L1402-A1406 WeakPolarHBondContact O-CB 3.27Å; L1402-A1406 PolarHBondContact O-N 2.7Å; K1403-A1406 PolarHBondContact O-N 3.17Å; V1404-A1406 VanDerWaalsContact C-N 3.31Å; V1404-A1406 PolarHBondContact O-N 3.04Å; A1406-K1410 WeakPolarHBondContact O-CB 3.4Å; A1406-K1410 PolarHBondContact O-N 2.84Å |
| 1407 | F | 80.1 | Confident | 73.8 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 172.2 | -87.5 | -73.2 | 0 | 0 | 0 | 111.8 | K1403 V1404 K1410 N1411 | K1403-F1407 HydrophobicContact CD-CE2 4.46Å; K1403-F1407 HydrophobicContact CG-CD2 3.85Å; K1403-F1407 HydrophobicContact CG-CE2 3.81Å; K1403-F1407 VanDerWaalsContact O-CD2 3.24Å; K1403-F1407 WeakPolarHBondContact O-CD2 3.28Å; K1403-F1407 PolarHBondContact O-N 3.41Å; V1404-F1407 PolarHBondContact O-N 2.9Å; V1404-F1407 VanDerWaalsContact O-N 3.15Å; F1407-K1410 HydrophobicContact CD1-CD 4.44Å; F1407-K1410 WeakPolarHBondContact O-CB 3.4Å; F1407-K1410 PolarHBondContact O-N 3.22Å; F1407-N1411 WeakPolarHBondContact O-CB 3.49Å; F1407-N1411 VanDerWaalsContact O-CG 3.23Å; F1407-N1411 PolarHBondContact O-N 3.47Å; F1407-N1411 PolarHBondContact O-OD1 3.03Å |
| 1408 | E | 79 | Confident | 75.6 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 176.8 | -155.1 | -160 | 144.9 | 0 | 0 | 111.4 | V1404 A1405 N1411 K1412 | V1404-E1408 WeakPolarHBondContact O-CB 3.42Å; V1404-E1408 PolarHBondContact O-N 2.88Å; A1405-E1408 PolarHBondContact O-N 3.3Å; E1408-N1411 PolarHBondContact O-N 3.47Å; E1408-K1412 WeakPolarHBondContact O-CB 3.38Å; E1408-K1412 WeakPolarHBondContact O-CG 3.47Å; E1408-K1412 PolarHBondContact O-N 3.39Å; E1408-K1412 WeakPolarHBondContact OE1-CE 3.36Å; E1408-K1412 IonicContact OE1-NZ 3.73Å; E1408-K1412 PolarHBondContact OE1-NZ 2.78Å |
| 1409 | I | 81.9 | Confident | 77 | Confident | 103 Ų | 103 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 171.7 | -71.8 | 166.9 | 0 | 0 | 0 | 110.6 | A1405 K1412 L1413 | A1405-I1409 VanDerWaalsContact O-CB 3.28Å; A1405-I1409 WeakPolarHBondContact O-CB 3.48Å; A1405-I1409 WeakPolarHBondContact O-CD1 3.25Å; A1405-I1409 WeakPolarHBondContact O-CG1 3.44Å; A1405-I1409 PolarHBondContact O-N 3.36Å; I1409-K1412 PolarHBondContact O-N 2.91Å; I1409-L1413 HydrophobicContact CG2-CD1 3.98Å; I1409-L1413 WeakPolarHBondContact O-CB 3.45Å; I1409-L1413 PolarHBondContact O-N 3.1Å |
| 1410 | K | 86.1 | Confident | 78.2 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.3 | 178.5 | -175.5 | 172.9 | -172.2 | 0 | 111.6 | A1406 F1407 L1413 I1414 | A1406-K1410 WeakPolarHBondContact O-CB 3.4Å; A1406-K1410 PolarHBondContact O-N 2.84Å; F1407-K1410 HydrophobicContact CD1-CD 4.44Å; F1407-K1410 WeakPolarHBondContact O-CB 3.4Å; F1407-K1410 PolarHBondContact O-N 3.22Å; K1410-L1413 WeakPolarHBondContact O-CB 3.46Å; K1410-L1413 PolarHBondContact O-N 3.12Å; K1410-I1414 HydrophobicContact CG-CD1 3.93Å; K1410-I1414 WeakPolarHBondContact O-CG1 3.45Å; K1410-I1414 PolarHBondContact O-N 3.05Å |
| 1411 | N | 78.2 | Confident | 79 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 179 | -70.5 | -6.6 | 0 | 0 | 0 | 111.6 | F1407 E1408 I1414 S1415 | F1407-N1411 WeakPolarHBondContact O-CB 3.49Å; F1407-N1411 VanDerWaalsContact O-CG 3.23Å; F1407-N1411 PolarHBondContact O-N 3.47Å; F1407-N1411 PolarHBondContact O-OD1 3.03Å; E1408-N1411 PolarHBondContact O-N 3.47Å; N1411-I1414 PolarHBondContact O-N 2.95Å; N1411-S1415 WeakPolarHBondContact O-CB 3.37Å; N1411-S1415 PolarHBondContact O-N 3.34Å; N1411-S1415 PolarHBondContact O-OG 3.42Å |
| 1412 | K | 81.6 | Confident | 79.5 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 170.3 | -78.2 | 169.1 | 171.4 | 168.4 | 0 | 112.1 | E1408 I1409 R1416 | E1408-K1412 WeakPolarHBondContact O-CB 3.38Å; E1408-K1412 WeakPolarHBondContact O-CG 3.47Å; E1408-K1412 PolarHBondContact O-N 3.39Å; E1408-K1412 WeakPolarHBondContact OE1-CE 3.36Å; E1408-K1412 IonicContact OE1-NZ 3.73Å; E1408-K1412 PolarHBondContact OE1-NZ 2.78Å; I1409-K1412 PolarHBondContact O-N 2.91Å; K1412-R1416 WeakPolarHBondContact O-CB 3.4Å; K1412-R1416 PolarHBondContact O-N 2.9Å |
| 1413 | L | 79.4 | Confident | 79.7 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 174.2 | -102.9 | 149.6 | 0 | 0 | 0 | 112.7 | I1409 K1410 R1416 T1417 | I1409-L1413 HydrophobicContact CG2-CD1 3.98Å; I1409-L1413 WeakPolarHBondContact O-CB 3.45Å; I1409-L1413 PolarHBondContact O-N 3.1Å; K1410-L1413 WeakPolarHBondContact O-CB 3.46Å; K1410-L1413 PolarHBondContact O-N 3.12Å; L1413-R1416 PolarHBondContact O-N 3.1Å; L1413-T1417 WeakPolarHBondContact O-CB 3.24Å; L1413-T1417 PolarHBondContact O-N 3.49Å; L1413-T1417 PolarHBondContact O-OG1 3.48Å |
| 1414 | I | 82.3 | Confident | 79.9 | Confident | 78 Ų | 78 | 94.9 Ų | 94.9 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.3 | -69.6 | 166.8 | 0 | 0 | 0 | 109.9 | K1410 N1411 R1416 T1417 Q1418 | K1410-I1414 HydrophobicContact CG-CD1 3.93Å; K1410-I1414 WeakPolarHBondContact O-CG1 3.45Å; K1410-I1414 PolarHBondContact O-N 3.05Å; N1411-I1414 PolarHBondContact O-N 2.95Å; I1414-R1416 VanDerWaalsContact C-N 3.34Å; I1414-R1416 PolarHBondContact O-N 3.41Å; I1414-T1417 PolarHBondContact O-N 2.81Å; I1414-T1417 VanDerWaalsContact O-N 3.11Å; I1414-Q1418 WeakPolarHBondContact O-CG 3.45Å; I1414-Q1418 PolarHBondContact O-N 3.42Å |
| 1415 | S | 78 | Confident | 80.2 | Confident | 56 Ų | 56 | 95 Ų | 95 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 176 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | N1411 K1419 | N1411-S1415 WeakPolarHBondContact O-CB 3.37Å; N1411-S1415 PolarHBondContact O-N 3.34Å; N1411-S1415 PolarHBondContact O-OG 3.42Å; S1415-K1419 WeakPolarHBondContact O-CB 3.26Å; S1415-K1419 VanDerWaalsContact O-CG 3.27Å; S1415-K1419 WeakPolarHBondContact O-CG 3.31Å; S1415-K1419 PolarHBondContact O-N 3.33Å |
| 1416 | R | 83.2 | Confident | 80.4 | Confident | 204 Ų | 204 | 96.1 Ų | 96.1 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -39.9 | 172.9 | -103.9 | -179.6 | 162.8 | 159.4 | -5.2 | 112.2 | K1412 L1413 I1414 K1419 L1420 | K1412-R1416 WeakPolarHBondContact O-CB 3.4Å; K1412-R1416 PolarHBondContact O-N 2.9Å; L1413-R1416 PolarHBondContact O-N 3.1Å; I1414-R1416 VanDerWaalsContact C-N 3.34Å; I1414-R1416 PolarHBondContact O-N 3.41Å; R1416-K1419 PolarHBondContact O-N 2.93Å; R1416-L1420 WeakPolarHBondContact O-CB 3.25Å; R1416-L1420 PolarHBondContact O-N 3.46Å |
| 1417 | T | 85.3 | Confident | 80.5 | Confident | 80 Ų | 80 | 96.7 Ų | 96.7 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | -180 | -52.9 | 0 | 0 | 0 | 0 | 111 | L1413 I1414 L1420 E1421 | L1413-T1417 WeakPolarHBondContact O-CB 3.24Å; L1413-T1417 PolarHBondContact O-N 3.49Å; L1413-T1417 PolarHBondContact O-OG1 3.48Å; I1414-T1417 PolarHBondContact O-N 2.81Å; I1414-T1417 VanDerWaalsContact O-N 3.11Å; T1417-L1420 PolarHBondContact O-N 2.97Å; T1417-E1421 WeakPolarHBondContact O-CB 3.47Å; T1417-E1421 PolarHBondContact O-N 3.32Å |
| 1418 | Q | 79.8 | Confident | 80.3 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 173.9 | -73 | 173.2 | -34.9 | 0 | 0 | 111.9 | I1414 E1421 A1422 | I1414-Q1418 WeakPolarHBondContact O-CG 3.45Å; I1414-Q1418 PolarHBondContact O-N 3.42Å; Q1418-E1421 PolarHBondContact O-N 2.89Å; Q1418-A1422 WeakPolarHBondContact O-CB 3.41Å; Q1418-A1422 PolarHBondContact O-N 3.01Å |
| 1419 | K | 80.5 | Confident | 80.7 | Confident | 126 Ų | 126 | 98 Ų | 98 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 173.9 | -74.3 | 175.8 | -179.8 | -176.7 | 0 | 112.6 | S1415 R1416 A1423 | S1415-K1419 WeakPolarHBondContact O-CB 3.26Å; S1415-K1419 VanDerWaalsContact O-CG 3.27Å; S1415-K1419 WeakPolarHBondContact O-CG 3.31Å; S1415-K1419 PolarHBondContact O-N 3.33Å; R1416-K1419 PolarHBondContact O-N 2.93Å; K1419-A1423 WeakPolarHBondContact O-CB 3.45Å; K1419-A1423 PolarHBondContact O-N 3.42Å |
| 1420 | L | 81.7 | Confident | 80.6 | Confident | 111 Ų | 111 | 96.1 Ų | 96.1 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.3 | -40.9 | 174.4 | -171.2 | 71.9 | 0 | 0 | 0 | 111.8 | R1416 T1417 A1423 L1424 | R1416-L1420 WeakPolarHBondContact O-CB 3.25Å; R1416-L1420 PolarHBondContact O-N 3.46Å; T1417-L1420 PolarHBondContact O-N 2.97Å; L1420-A1423 PolarHBondContact O-N 2.88Å; L1420-L1424 HydrophobicContact CG-CD1 4.3Å; L1420-L1424 WeakPolarHBondContact O-CB 3.34Å; L1420-L1424 VanDerWaalsContact O-CG 3.31Å; L1420-L1424 WeakPolarHBondContact O-CG 3.46Å; L1420-L1424 PolarHBondContact O-N 2.88Å |
| 1421 | E | 80.8 | Confident | 80.4 | Confident | 92 Ų | 92 | 99.4 Ų | 99.4 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 177.3 | -163 | -169 | 141.2 | 0 | 0 | 111.8 | T1417 Q1418 L1424 K1425 | T1417-E1421 WeakPolarHBondContact O-CB 3.47Å; T1417-E1421 PolarHBondContact O-N 3.32Å; Q1418-E1421 PolarHBondContact O-N 2.89Å; E1421-L1424 PolarHBondContact O-N 2.79Å; E1421-K1425 WeakPolarHBondContact O-CG 3.45Å; E1421-K1425 PolarHBondContact O-N 2.71Å; E1421-K1425 WeakPolarHBondContact OE1-CE 3.12Å; E1421-K1425 IonicContact OE1-NZ 3.17Å; E1421-K1425 PolarHBondContact OE1-NZ 3.21Å |
| 1422 | A | 78.2 | Confident | 80.6 | Confident | 42 Ų | 42 | 97 Ų | 97 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1418 L1424 K1425 E1426 | Q1418-A1422 WeakPolarHBondContact O-CB 3.41Å; Q1418-A1422 PolarHBondContact O-N 3.01Å; A1422-L1424 VanDerWaalsContact C-N 3.34Å; A1422-L1424 PolarHBondContact O-N 2.89Å; A1422-K1425 PolarHBondContact O-N 3.37Å; A1422-E1426 WeakPolarHBondContact O-CB 3.43Å; A1422-E1426 PolarHBondContact O-N 3.48Å |
| 1423 | A | 73.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 93.5 Ų | 93.5 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1419 L1420 E1426 V1427 | K1419-A1423 WeakPolarHBondContact O-CB 3.45Å; K1419-A1423 PolarHBondContact O-N 3.42Å; L1420-A1423 PolarHBondContact O-N 2.88Å; A1423-E1426 PolarHBondContact O-N 2.98Å; A1423-V1427 WeakPolarHBondContact O-CB 3.47Å; A1423-V1427 VanDerWaalsContact O-CG2 3.29Å; A1423-V1427 WeakPolarHBondContact O-CG2 3.44Å; A1423-V1427 PolarHBondContact O-N 3.2Å |
| 1424 | L | 81.5 | Confident | 80.2 | Confident | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.6 | -41.7 | 175.5 | -75.4 | 169.9 | 0 | 0 | 0 | 112.1 | L1420 E1421 A1422 E1426 V1427 E1428 | L1420-L1424 HydrophobicContact CG-CD1 4.3Å; L1420-L1424 WeakPolarHBondContact O-CB 3.34Å; L1420-L1424 VanDerWaalsContact O-CG 3.31Å; L1420-L1424 WeakPolarHBondContact O-CG 3.46Å; L1420-L1424 PolarHBondContact O-N 2.88Å; E1421-L1424 PolarHBondContact O-N 2.79Å; A1422-L1424 VanDerWaalsContact C-N 3.34Å; A1422-L1424 PolarHBondContact O-N 2.89Å; L1424-E1426 VanDerWaalsContact C-N 3.31Å; L1424-E1426 PolarHBondContact O-N 3.29Å; L1424-V1427 PolarHBondContact O-N 3.02Å; L1424-E1428 PolarHBondContact O-N 2.93Å |
| 1425 | K | 82 | Confident | 80.2 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 44% | 0.443 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 172.5 | -75.3 | 171 | -178 | 165.6 | 0 | 111.7 | E1421 A1422 E1428 R1429 | E1421-K1425 WeakPolarHBondContact O-CG 3.45Å; E1421-K1425 PolarHBondContact O-N 2.71Å; E1421-K1425 WeakPolarHBondContact OE1-CE 3.12Å; E1421-K1425 IonicContact OE1-NZ 3.17Å; E1421-K1425 PolarHBondContact OE1-NZ 3.21Å; A1422-K1425 PolarHBondContact O-N 3.37Å; K1425-E1428 PolarHBondContact O-N 3.45Å; K1425-R1429 PolarHBondContact O-N 2.93Å |
| 1426 | E | 77.9 | Confident | 80.2 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 29% | 0.285 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 175.6 | -178.6 | 56.2 | -163.9 | 0 | 0 | 112.3 | A1422 A1423 L1424 E1428 R1429 L1430 | A1422-E1426 WeakPolarHBondContact O-CB 3.43Å; A1422-E1426 PolarHBondContact O-N 3.48Å; A1423-E1426 PolarHBondContact O-N 2.98Å; L1424-E1426 VanDerWaalsContact C-N 3.31Å; L1424-E1426 PolarHBondContact O-N 3.29Å; E1426-E1428 VanDerWaalsContact C-N 3.29Å; E1426-E1428 PolarHBondContact O-N 2.89Å; E1426-R1429 WeakPolarHBondContact O-CB 3.43Å; E1426-R1429 PolarHBondContact O-N 2.65Å; E1426-R1429 IonicContact OE1-CZ 2.7Å; E1426-R1429 IonicContact OE1-NE 2.79Å; E1426-R1429 PolarHBondContact OE1-NE 3.06Å; E1426-R1429 IonicContact OE1-NH2 2.68Å; E1426-R1429 PolarHBondContact OE1-NH2 2.95Å; E1426-R1429 IonicContact OE2-CZ 3.12Å; E1426-R1429 IonicContact OE2-NE 3.64Å; E1426-R1429 PolarHBondContact OE2-NE 3.18Å; E1426-R1429 IonicContact OE2-NH2 3.54Å; E1426-L1430 HydrophobicContact CG-CD1 4.13Å; E1426-L1430 HydrophobicContact CG-CG 4.48Å; E1426-L1430 WeakPolarHBondContact O-CB 3.28Å; E1426-L1430 VanDerWaalsContact O-CG 3.25Å; E1426-L1430 WeakPolarHBondContact O-CG 3.28Å; E1426-L1430 PolarHBondContact O-N 3.3Å |
| 1427 | V | 79.7 | Confident | 80 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 171.8 | 165.7 | 0 | 0 | 0 | 0 | 111.9 | A1423 L1424 R1431 | A1423-V1427 WeakPolarHBondContact O-CB 3.47Å; A1423-V1427 VanDerWaalsContact O-CG2 3.29Å; A1423-V1427 WeakPolarHBondContact O-CG2 3.44Å; A1423-V1427 PolarHBondContact O-N 3.2Å; L1424-V1427 PolarHBondContact O-N 3.02Å; V1427-R1431 WeakPolarHBondContact O-CB 3.33Å; V1427-R1431 VanDerWaalsContact O-CG 3.24Å; V1427-R1431 WeakPolarHBondContact O-CG 3.2Å; V1427-R1431 PolarHBondContact O-N 3.48Å |
| 1428 | E | 76.5 | Confident | 79.8 | Confident | 146 Ų | 146 | 93.8 Ų | 93.8 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.8 | -40.8 | 175.3 | -166.6 | 156.3 | -147 | 0 | 0 | 111.7 | L1424 K1425 E1426 R1431 G1432 | L1424-E1428 PolarHBondContact O-N 2.93Å; K1425-E1428 PolarHBondContact O-N 3.45Å; E1426-E1428 VanDerWaalsContact C-N 3.29Å; E1426-E1428 PolarHBondContact O-N 2.89Å; E1428-R1431 PolarHBondContact O-N 3.4Å; E1428-G1432 PolarHBondContact O-N 2.99Å; E1428-G1432 VanDerWaalsContact O-N 3.11Å |
| 1429 | R | 85.9 | Confident | 79.8 | Confident | 83 Ų | 83 | 93.4 Ų | 93.4 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 170.4 | -166.1 | -168.7 | 72.1 | 79.5 | 3.7 | 111.6 | K1425 E1426 R1431 G1432 V1433 | K1425-R1429 PolarHBondContact O-N 2.93Å; E1426-R1429 WeakPolarHBondContact O-CB 3.43Å; E1426-R1429 PolarHBondContact O-N 2.65Å; E1426-R1429 IonicContact OE1-CZ 2.7Å; E1426-R1429 IonicContact OE1-NE 2.79Å; E1426-R1429 PolarHBondContact OE1-NE 3.06Å; E1426-R1429 IonicContact OE1-NH2 2.68Å; E1426-R1429 PolarHBondContact OE1-NH2 2.95Å; E1426-R1429 IonicContact OE2-CZ 3.12Å; E1426-R1429 IonicContact OE2-NE 3.64Å; E1426-R1429 PolarHBondContact OE2-NE 3.18Å; E1426-R1429 IonicContact OE2-NH2 3.54Å; R1429-R1431 VanDerWaalsContact C-N 3.34Å; R1429-R1431 PolarHBondContact O-N 3.08Å; R1429-G1432 WeakPolarHBondContact O-CA 3.4Å; R1429-G1432 PolarHBondContact O-N 3.11Å; R1429-V1433 PolarHBondContact O-N 3.14Å |
| 1430 | L | 81.1 | Confident | 79.7 | Confident | 64 Ų | 64 | 95 Ų | 95 | 34% | 0.335 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 178.4 | -71.7 | 170 | 0 | 0 | 0 | 112.4 | E1426 G1432 V1433 I1434 | E1426-L1430 HydrophobicContact CG-CD1 4.13Å; E1426-L1430 HydrophobicContact CG-CG 4.48Å; E1426-L1430 WeakPolarHBondContact O-CB 3.28Å; E1426-L1430 VanDerWaalsContact O-CG 3.25Å; E1426-L1430 WeakPolarHBondContact O-CG 3.28Å; E1426-L1430 PolarHBondContact O-N 3.3Å; L1430-G1432 VanDerWaalsContact C-N 3.31Å; L1430-G1432 PolarHBondContact O-N 3.31Å; L1430-V1433 PolarHBondContact O-N 3.01Å; L1430-I1434 WeakPolarHBondContact O-CB 3.49Å; L1430-I1434 WeakPolarHBondContact O-CD1 3.42Å; L1430-I1434 VanDerWaalsContact O-CG1 3.22Å; L1430-I1434 WeakPolarHBondContact O-CG1 3.3Å; L1430-I1434 PolarHBondContact O-N 3.45Å |
| 1431 | R | 82.1 | Confident | 79.5 | Confident | 180 Ų | 180 | 92.3 Ų | 92.3 | 68% | 0.679 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 171.6 | -77.7 | 169.6 | -176.6 | -96.7 | 2 | 112.2 | V1427 E1428 R1429 Q1435 | V1427-R1431 WeakPolarHBondContact O-CB 3.33Å; V1427-R1431 VanDerWaalsContact O-CG 3.24Å; V1427-R1431 WeakPolarHBondContact O-CG 3.2Å; V1427-R1431 PolarHBondContact O-N 3.48Å; E1428-R1431 PolarHBondContact O-N 3.4Å; R1429-R1431 VanDerWaalsContact C-N 3.34Å; R1429-R1431 PolarHBondContact O-N 3.08Å; R1431-Q1435 WeakPolarHBondContact O-CB 3.47Å; R1431-Q1435 PolarHBondContact O-N 2.8Å; R1431-Q1435 VanDerWaalsContact O-N 3.11Å |
| 1432 | G | 80.9 | Confident | 79.4 | Confident | 43 Ų | 43 | 91.1 Ų | 91.1 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1428 R1429 L1430 Q1435 Q1436 | E1428-G1432 PolarHBondContact O-N 2.99Å; E1428-G1432 VanDerWaalsContact O-N 3.11Å; R1429-G1432 WeakPolarHBondContact O-CA 3.4Å; R1429-G1432 PolarHBondContact O-N 3.11Å; L1430-G1432 VanDerWaalsContact C-N 3.31Å; L1430-G1432 PolarHBondContact O-N 3.31Å; G1432-Q1435 PolarHBondContact O-N 3.21Å; G1432-Q1436 PolarHBondContact O-N 2.78Å |
| 1433 | V | 77.7 | Confident | 79.5 | Confident | 49 Ų | 49 | 90.8 Ų | 90.8 | 30% | 0.297 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | R1429 L1430 Q1435 Q1436 D1437 | R1429-V1433 PolarHBondContact O-N 3.14Å; L1430-V1433 PolarHBondContact O-N 3.01Å; V1433-Q1435 PolarHBondContact O-N 3.31Å; V1433-Q1436 PolarHBondContact O-N 3.43Å; V1433-Q1436 VanDerWaalsContact O-N 3.08Å; V1433-D1437 WeakPolarHBondContact O-CB 3.46Å; V1433-D1437 PolarHBondContact O-N 3.44Å |
| 1434 | I | 76.5 | Confident | 79.7 | Confident | 113 Ų | 113 | 91 Ų | 91 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.3 | -35.8 | 177.8 | -70.1 | 164.7 | 0 | 0 | 0 | 111.7 | L1430 K1438 | L1430-I1434 WeakPolarHBondContact O-CB 3.49Å; L1430-I1434 WeakPolarHBondContact O-CD1 3.42Å; L1430-I1434 VanDerWaalsContact O-CG1 3.22Å; L1430-I1434 WeakPolarHBondContact O-CG1 3.3Å; L1430-I1434 PolarHBondContact O-N 3.45Å; I1434-K1438 VanDerWaalsContact O-CB 3.25Å; I1434-K1438 WeakPolarHBondContact O-CB 3.12Å; I1434-K1438 PolarHBondContact O-N 2.86Å |
| 1435 | Q | 82.1 | Confident | 79.7 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 175.5 | -178.9 | 58.9 | 31.1 | 0 | 0 | 111.7 | R1431 G1432 V1433 K1438 E1439 | R1431-Q1435 WeakPolarHBondContact O-CB 3.47Å; R1431-Q1435 PolarHBondContact O-N 2.8Å; R1431-Q1435 VanDerWaalsContact O-N 3.11Å; G1432-Q1435 PolarHBondContact O-N 3.21Å; V1433-Q1435 PolarHBondContact O-N 3.31Å; Q1435-K1438 PolarHBondContact O-N 3.24Å; Q1435-E1439 PolarHBondContact NE2-OE1 2.88Å; Q1435-E1439 WeakPolarHBondContact O-CG 3.25Å; Q1435-E1439 PolarHBondContact O-N 3.04Å |
| 1436 | Q | 78 | Confident | 79.7 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.9 | -167.2 | -179 | 16.4 | 0 | 0 | 112.1 | G1432 V1433 E1439 R1440 | G1432-Q1436 PolarHBondContact O-N 2.78Å; V1433-Q1436 PolarHBondContact O-N 3.43Å; V1433-Q1436 VanDerWaalsContact O-N 3.08Å; Q1436-E1439 PolarHBondContact O-N 3.46Å; Q1436-R1440 VanDerWaalsContact NE2-NH2 3.18Å; Q1436-R1440 WeakPolarHBondContact O-CG 3.45Å; Q1436-R1440 PolarHBondContact O-N 2.92Å |
| 1437 | D | 78.2 | Confident | 80 | Confident | 84 Ų | 84 | 93.4 Ų | 93.4 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 175.8 | -77.2 | -20.7 | 0 | 0 | 0 | 111.8 | V1433 E1439 R1440 A1441 | V1433-D1437 WeakPolarHBondContact O-CB 3.46Å; V1433-D1437 PolarHBondContact O-N 3.44Å; D1437-E1439 VanDerWaalsContact C-N 3.31Å; D1437-E1439 PolarHBondContact O-N 3.47Å; D1437-R1440 PolarHBondContact O-N 2.68Å; D1437-A1441 WeakPolarHBondContact O-CB 3.27Å; D1437-A1441 PolarHBondContact O-N 3.25Å |
| 1438 | K | 81.5 | Confident | 80.1 | Confident | 143 Ų | 143 | 95.9 Ų | 95.9 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 171.8 | -177.5 | -179.5 | 176.8 | -174.7 | 0 | 111.8 | I1434 Q1435 S1442 | I1434-K1438 VanDerWaalsContact O-CB 3.25Å; I1434-K1438 WeakPolarHBondContact O-CB 3.12Å; I1434-K1438 PolarHBondContact O-N 2.86Å; Q1435-K1438 PolarHBondContact O-N 3.24Å; K1438-S1442 WeakPolarHBondContact O-CB 3.46Å; K1438-S1442 PolarHBondContact O-N 2.83Å |
| 1439 | E | 80.6 | Confident | 80.4 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.9 | -48.1 | 175.2 | -73.8 | 168.6 | -161.8 | 0 | 0 | 111.5 | Q1435 Q1436 D1437 A1441 S1442 G1443 | Q1435-E1439 PolarHBondContact NE2-OE1 2.88Å; Q1435-E1439 WeakPolarHBondContact O-CG 3.25Å; Q1435-E1439 PolarHBondContact O-N 3.04Å; Q1436-E1439 PolarHBondContact O-N 3.46Å; D1437-E1439 VanDerWaalsContact C-N 3.31Å; D1437-E1439 PolarHBondContact O-N 3.47Å; E1439-A1441 PolarHBondContact O-N 3.41Å; E1439-S1442 PolarHBondContact O-N 2.74Å; E1439-S1442 VanDerWaalsContact O-N 3.14Å; E1439-S1442 PolarHBondContact O-OG 2.92Å; E1439-G1443 PolarHBondContact O-N 2.81Å; E1439-G1443 VanDerWaalsContact O-N 3.11Å |
| 1440 | R | 78.5 | Confident | 80.4 | Confident | 159 Ų | 159 | 94.9 Ų | 94.9 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.6 | -44.2 | 174 | -70.9 | -179.3 | -172.7 | -163.8 | 7.5 | 112.2 | Q1436 D1437 S1442 G1443 A1444 | Q1436-R1440 VanDerWaalsContact NE2-NH2 3.18Å; Q1436-R1440 WeakPolarHBondContact O-CG 3.45Å; Q1436-R1440 PolarHBondContact O-N 2.92Å; D1437-R1440 PolarHBondContact O-N 2.68Å; R1440-S1442 VanDerWaalsContact C-N 3.32Å; R1440-S1442 PolarHBondContact O-N 3.42Å; R1440-G1443 PolarHBondContact O-N 3.4Å; R1440-A1444 PolarHBondContact O-N 2.69Å |
| 1441 | A | 77.6 | Confident | 80.5 | Confident | 55 Ų | 55 | 96.7 Ų | 96.7 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1437 E1439 A1444 L1445 | D1437-A1441 WeakPolarHBondContact O-CB 3.27Å; D1437-A1441 PolarHBondContact O-N 3.25Å; E1439-A1441 PolarHBondContact O-N 3.41Å; A1441-A1444 PolarHBondContact O-N 2.91Å; A1441-L1445 VanDerWaalsContact O-CB 3.25Å; A1441-L1445 WeakPolarHBondContact O-CB 3.31Å; A1441-L1445 PolarHBondContact O-N 3.45Å |
| 1442 | S | 77.8 | Confident | 80.7 | Confident | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.9 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | K1438 E1439 R1440 L1445 D1446 | K1438-S1442 WeakPolarHBondContact O-CB 3.46Å; K1438-S1442 PolarHBondContact O-N 2.83Å; E1439-S1442 PolarHBondContact O-N 2.74Å; E1439-S1442 VanDerWaalsContact O-N 3.14Å; E1439-S1442 PolarHBondContact O-OG 2.92Å; R1440-S1442 VanDerWaalsContact C-N 3.32Å; R1440-S1442 PolarHBondContact O-N 3.42Å; S1442-L1445 PolarHBondContact O-N 3.49Å; S1442-D1446 PolarHBondContact O-N 3.39Å; S1442-D1446 VanDerWaalsContact O-N 3.08Å |
| 1443 | G | 81.1 | Confident | 80.9 | Confident | 35 Ų | 35 | 99.8 Ų | 99.8 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1439 R1440 L1445 D1446 E1447 | E1439-G1443 PolarHBondContact O-N 2.81Å; E1439-G1443 VanDerWaalsContact O-N 3.11Å; R1440-G1443 PolarHBondContact O-N 3.4Å; G1443-L1445 VanDerWaalsContact C-N 3.27Å; G1443-L1445 PolarHBondContact O-N 3.29Å; G1443-D1446 PolarHBondContact O-N 2.9Å; G1443-E1447 PolarHBondContact O-N 3.5Å |
| 1444 | A | 75.6 | Confident | 81.2 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | R1440 A1441 L1448 | R1440-A1444 PolarHBondContact O-N 2.69Å; A1441-A1444 PolarHBondContact O-N 2.91Å; A1444-L1448 VanDerWaalsContact O-CB 3.31Å; A1444-L1448 WeakPolarHBondContact O-CB 3.43Å; A1444-L1448 PolarHBondContact O-N 3.38Å |
| 1445 | L | 82.9 | Confident | 81.4 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.1 | -32.6 | 177.9 | -153.1 | 157.5 | 0 | 0 | 0 | 111.3 | A1441 S1442 G1443 K1449 | A1441-L1445 VanDerWaalsContact O-CB 3.25Å; A1441-L1445 WeakPolarHBondContact O-CB 3.31Å; A1441-L1445 PolarHBondContact O-N 3.45Å; S1442-L1445 PolarHBondContact O-N 3.49Å; G1443-L1445 VanDerWaalsContact C-N 3.27Å; G1443-L1445 PolarHBondContact O-N 3.29Å; L1445-K1449 WeakPolarHBondContact O-CG 3.39Å; L1445-K1449 PolarHBondContact O-N 2.98Å |
| 1446 | D | 82.6 | Confident | 81.6 | Confident | 88 Ų | 88 | 101.4 Ų | 101.4 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.7 | -39.4 | 171.5 | -73.7 | -21 | 0 | 0 | 0 | 112.4 | S1442 G1443 L1448 K1449 D1450 | S1442-D1446 PolarHBondContact O-N 3.39Å; S1442-D1446 VanDerWaalsContact O-N 3.08Å; G1443-D1446 PolarHBondContact O-N 2.9Å; D1446-L1448 VanDerWaalsContact C-N 3.3Å; D1446-L1448 PolarHBondContact O-N 3Å; D1446-K1449 WeakPolarHBondContact O-CB 3.49Å; D1446-K1449 PolarHBondContact O-N 3.08Å; D1446-K1449 IonicContact OD1-NZ 3.75Å; D1446-K1449 PolarHBondContact OD1-NZ 3.34Å; D1446-D1450 PolarHBondContact O-N 2.75Å |
| 1447 | E | 82.6 | Confident | 82 | Confident | 138 Ų | 138 | 103.9 Ų | 103.9 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -39.6 | 168.6 | -73.5 | -176.9 | -170.6 | 0 | 0 | 112.2 | G1443 D1450 L1451 | G1443-E1447 PolarHBondContact O-N 3.5Å; E1447-D1450 PolarHBondContact O-N 2.81Å; E1447-L1451 PolarHBondContact O-N 2.76Å |
| 1448 | L | 82.5 | Confident | 82.3 | Confident | 119 Ų | 119 | 107.1 Ų | 107.1 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -36.3 | 176.5 | -167.7 | 73.9 | 0 | 0 | 0 | 112.2 | A1444 D1446 R1452 | A1444-L1448 VanDerWaalsContact O-CB 3.31Å; A1444-L1448 WeakPolarHBondContact O-CB 3.43Å; A1444-L1448 PolarHBondContact O-N 3.38Å; D1446-L1448 VanDerWaalsContact C-N 3.3Å; D1446-L1448 PolarHBondContact O-N 3Å; L1448-R1452 VanDerWaalsContact O-CB 3.26Å; L1448-R1452 WeakPolarHBondContact O-CB 3.46Å; L1448-R1452 PolarHBondContact O-N 3.22Å |
| 1449 | K | 83.4 | Confident | 82.4 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 171.3 | -72.3 | 168.4 | -167.8 | 155.7 | 0 | 110.9 | L1445 D1446 R1452 Q1453 | L1445-K1449 WeakPolarHBondContact O-CG 3.39Å; L1445-K1449 PolarHBondContact O-N 2.98Å; D1446-K1449 WeakPolarHBondContact O-CB 3.49Å; D1446-K1449 PolarHBondContact O-N 3.08Å; D1446-K1449 IonicContact OD1-NZ 3.75Å; D1446-K1449 PolarHBondContact OD1-NZ 3.34Å; K1449-R1452 PolarHBondContact O-N 3.11Å; K1449-Q1453 WeakPolarHBondContact O-CB 3.29Å; K1449-Q1453 PolarHBondContact O-N 2.81Å |
| 1450 | D | 84.4 | Confident | 82.7 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 179.5 | -111 | 25 | 0 | 0 | 0 | 112.4 | D1446 E1447 Q1453 K1454 | D1446-D1450 PolarHBondContact O-N 2.75Å; E1447-D1450 PolarHBondContact O-N 2.81Å; D1450-Q1453 PolarHBondContact O-N 2.87Å; D1450-K1454 WeakPolarHBondContact O-CG 3.46Å; D1450-K1454 PolarHBondContact O-N 3.46Å |
| 1451 | L | 83.8 | Confident | 82.9 | Confident | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 170.5 | -104.9 | 77.6 | 0 | 0 | 0 | 111.3 | E1447 Q1453 K1454 V1455 | E1447-L1451 PolarHBondContact O-N 2.76Å; L1451-Q1453 VanDerWaalsContact C-N 3.26Å; L1451-Q1453 PolarHBondContact O-N 2.88Å; L1451-K1454 CarbonylContact O-C 3.59Å; L1451-K1454 WeakPolarHBondContact O-CB 3.42Å; L1451-K1454 PolarHBondContact O-N 2.93Å; L1451-V1455 WeakPolarHBondContact O-CG2 3.49Å; L1451-V1455 PolarHBondContact O-N 2.88Å |
| 1452 | R | 86.2 | Confident | 83.1 | Confident | 186 Ų | 186 | 105.2 Ų | 105.2 | 70% | 0.702 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.7 | -40.7 | 176.3 | -171.9 | 176.7 | -176.4 | 179.1 | 1.2 | 111.2 | L1448 K1449 V1455 L1456 | L1448-R1452 VanDerWaalsContact O-CB 3.26Å; L1448-R1452 WeakPolarHBondContact O-CB 3.46Å; L1448-R1452 PolarHBondContact O-N 3.22Å; K1449-R1452 PolarHBondContact O-N 3.11Å; R1452-V1455 PolarHBondContact O-N 3.28Å; R1452-L1456 HydrophobicContact CG-CD1 4.33Å; R1452-L1456 WeakPolarHBondContact O-CB 3.42Å; R1452-L1456 VanDerWaalsContact O-CG 3.29Å; R1452-L1456 WeakPolarHBondContact O-CG 3.39Å; R1452-L1456 PolarHBondContact O-N 2.97Å |
| 1453 | Q | 85.4 | Confident | 83.4 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72 | -26.7 | 177 | -162.1 | 64.8 | 3.9 | 0 | 0 | 113.4 | K1449 D1450 L1451 R1457 | K1449-Q1453 WeakPolarHBondContact O-CB 3.29Å; K1449-Q1453 PolarHBondContact O-N 2.81Å; D1450-Q1453 PolarHBondContact O-N 2.87Å; L1451-Q1453 VanDerWaalsContact C-N 3.26Å; L1451-Q1453 PolarHBondContact O-N 2.88Å; Q1453-R1457 WeakPolarHBondContact O-CG 3.42Å; Q1453-R1457 PolarHBondContact O-N 3.32Å; Q1453-R1457 PolarHBondContact O-NE 2.89Å |
| 1454 | K | 83.7 | Confident | 83.7 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.2 | -42.2 | 169.5 | -74.3 | 170.7 | -178.7 | 169.6 | 0 | 111.6 | D1450 L1451 R1457 K1458 | D1450-K1454 WeakPolarHBondContact O-CG 3.46Å; D1450-K1454 PolarHBondContact O-N 3.46Å; L1451-K1454 CarbonylContact O-C 3.59Å; L1451-K1454 WeakPolarHBondContact O-CB 3.42Å; L1451-K1454 PolarHBondContact O-N 2.93Å; K1454-R1457 PolarHBondContact O-N 3.22Å; K1454-K1458 PolarHBondContact O-N 3.35Å |
| 1455 | V | 82 | Confident | 84.1 | Confident | 76 Ų | 76 | 112 Ų | 112 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L1451 R1452 R1457 K1458 N1459 | L1451-V1455 WeakPolarHBondContact O-CG2 3.49Å; L1451-V1455 PolarHBondContact O-N 2.88Å; R1452-V1455 PolarHBondContact O-N 3.28Å; V1455-R1457 VanDerWaalsContact C-N 3.28Å; V1455-R1457 PolarHBondContact O-N 3.03Å; V1455-K1458 PolarHBondContact O-N 2.99Å; V1455-N1459 WeakPolarHBondContact O-CB 3.38Å; V1455-N1459 VanDerWaalsContact O-CG 3.3Å; V1455-N1459 PolarHBondContact O-N 3.48Å; V1455-N1459 PolarHBondContact O-OD1 3.06Å |
| 1456 | L | 86.2 | Confident | 84.1 | Confident | 91 Ų | 91 | 113 Ų | 113 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | 174.5 | -73 | 170.8 | 0 | 0 | 0 | 112.1 | R1452 Q1460 | R1452-L1456 HydrophobicContact CG-CD1 4.33Å; R1452-L1456 WeakPolarHBondContact O-CB 3.42Å; R1452-L1456 VanDerWaalsContact O-CG 3.29Å; R1452-L1456 WeakPolarHBondContact O-CG 3.39Å; R1452-L1456 PolarHBondContact O-N 2.97Å; L1456-Q1460 PolarHBondContact O-N 2.66Å |
| 1457 | R | 85.5 | Confident | 84.2 | Confident | 149 Ų | 149 | 113.6 Ų | 113.6 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -40.1 | 174 | -77.7 | -178.2 | -81 | 179.5 | -8 | 113.1 | Q1453 K1454 V1455 R1461 | Q1453-R1457 WeakPolarHBondContact O-CG 3.42Å; Q1453-R1457 PolarHBondContact O-N 3.32Å; Q1453-R1457 PolarHBondContact O-NE 2.89Å; K1454-R1457 PolarHBondContact O-N 3.22Å; V1455-R1457 VanDerWaalsContact C-N 3.28Å; V1455-R1457 PolarHBondContact O-N 3.03Å; R1457-R1461 PolarHBondContact O-N 2.68Å |
| 1458 | K | 85.1 | Confident | 84.3 | Confident | 152 Ų | 152 | 110.4 Ų | 110.4 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 173.1 | -81.6 | -164.8 | 173 | -171.2 | 0 | 111.6 | K1454 V1455 Q1460 R1461 I1462 | K1454-K1458 PolarHBondContact O-N 3.35Å; V1455-K1458 PolarHBondContact O-N 2.99Å; K1458-Q1460 VanDerWaalsContact C-N 3.26Å; K1458-Q1460 PolarHBondContact O-N 3.11Å; K1458-R1461 PolarHBondContact O-N 3.28Å; K1458-R1461 VanDerWaalsContact O-N 3.08Å; K1458-I1462 WeakPolarHBondContact O-CG1 3.43Å; K1458-I1462 PolarHBondContact O-N 2.78Å |
| 1459 | N | 84 | Confident | 84.1 | Confident | 69 Ų | 69 | 108.9 Ų | 108.9 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 179.8 | -69.4 | 2.9 | 0 | 0 | 0 | 112.4 | V1455 R1463 | V1455-N1459 WeakPolarHBondContact O-CB 3.38Å; V1455-N1459 VanDerWaalsContact O-CG 3.3Å; V1455-N1459 PolarHBondContact O-N 3.48Å; V1455-N1459 PolarHBondContact O-OD1 3.06Å; N1459-R1463 WeakPolarHBondContact O-CG 3.49Å; N1459-R1463 PolarHBondContact O-N 3.29Å; N1459-R1463 VanDerWaalsContact O-N 3.12Å |
| 1460 | Q | 86 | Confident | 83.8 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -51.1 | 169.3 | -173.5 | 57.6 | 42 | 0 | 0 | 111.2 | L1456 K1458 I1462 R1463 D1464 | L1456-Q1460 PolarHBondContact O-N 2.66Å; K1458-Q1460 VanDerWaalsContact C-N 3.26Å; K1458-Q1460 PolarHBondContact O-N 3.11Å; Q1460-I1462 VanDerWaalsContact C-N 3.28Å; Q1460-I1462 PolarHBondContact O-N 3.42Å; Q1460-R1463 PolarHBondContact O-N 3.35Å; Q1460-R1463 VanDerWaalsContact O-N 3.1Å; Q1460-D1464 PolarHBondContact NE2-OD1 2.97Å; Q1460-D1464 PolarHBondContact O-N 3.21Å |
| 1461 | R | 83.7 | Confident | 83.5 | Confident | 192 Ų | 192 | 109.8 Ų | 109.8 | 73% | 0.725 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.8 | -36.7 | 176.3 | -75.3 | -174 | 176 | -174.2 | -1.9 | 113.3 | R1457 K1458 D1464 L1465 | R1457-R1461 PolarHBondContact O-N 2.68Å; K1458-R1461 PolarHBondContact O-N 3.28Å; K1458-R1461 VanDerWaalsContact O-N 3.08Å; R1461-D1464 PolarHBondContact O-N 2.83Å; R1461-L1465 WeakPolarHBondContact O-CB 3.33Å; R1461-L1465 VanDerWaalsContact O-CG 3.31Å; R1461-L1465 WeakPolarHBondContact O-CG 3.24Å; R1461-L1465 PolarHBondContact O-N 3.3Å |
| 1462 | I | 80.2 | Confident | 82.7 | Confident | 81 Ų | 81 | 110.7 Ų | 110.7 | 42% | 0.415 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 175.2 | -69.2 | 167 | 0 | 0 | 0 | 109.8 | K1458 Q1460 D1464 L1465 E1466 | K1458-I1462 WeakPolarHBondContact O-CG1 3.43Å; K1458-I1462 PolarHBondContact O-N 2.78Å; Q1460-I1462 VanDerWaalsContact C-N 3.28Å; Q1460-I1462 PolarHBondContact O-N 3.42Å; I1462-D1464 VanDerWaalsContact C-N 3.32Å; I1462-D1464 PolarHBondContact O-N 2.91Å; I1462-L1465 CarbonylContact O-C 3.57Å; I1462-L1465 PolarHBondContact O-N 3.44Å; I1462-E1466 HydrophobicContact CG2-CG 4.18Å; I1462-E1466 WeakPolarHBondContact O-CB 3.34Å; I1462-E1466 VanDerWaalsContact O-CG 3.28Å; I1462-E1466 WeakPolarHBondContact O-CG 3.04Å; I1462-E1466 PolarHBondContact O-N 2.66Å |
| 1463 | R | 85.4 | Confident | 81.9 | Confident | 117 Ų | 117 | 109.8 Ų | 109.8 | 44% | 0.442 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 174.7 | -74.5 | -172.1 | -64 | -104.6 | 2.5 | 113.4 | N1459 Q1460 E1466 N1467 | N1459-R1463 WeakPolarHBondContact O-CG 3.49Å; N1459-R1463 PolarHBondContact O-N 3.29Å; N1459-R1463 VanDerWaalsContact O-N 3.12Å; Q1460-R1463 PolarHBondContact O-N 3.35Å; Q1460-R1463 VanDerWaalsContact O-N 3.1Å; R1463-E1466 PolarHBondContact O-N 3.48Å; R1463-N1467 WeakPolarHBondContact O-CB 3.49Å; R1463-N1467 VanDerWaalsContact O-CG 3.29Å; R1463-N1467 PolarHBondContact O-N 2.98Å; R1463-N1467 PolarHBondContact O-ND2 3.37Å |
| 1464 | D | 85.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 107.9 Ų | 107.9 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.9 | -57.1 | -29.5 | 0 | 0 | 0 | 110.2 | Q1460 R1461 I1462 N1467 D1468 | Q1460-D1464 PolarHBondContact NE2-OD1 2.97Å; Q1460-D1464 PolarHBondContact O-N 3.21Å; R1461-D1464 PolarHBondContact O-N 2.83Å; I1462-D1464 VanDerWaalsContact C-N 3.32Å; I1462-D1464 PolarHBondContact O-N 2.91Å; D1464-N1467 PolarHBondContact O-N 3.31Å; D1464-D1468 PolarHBondContact O-N 2.74Å |
| 1465 | L | 84 | Confident | 79.9 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.9 | -39.6 | 174.3 | -71 | 170 | 0 | 0 | 0 | 113.2 | R1461 I1462 N1467 D1468 V1469 | R1461-L1465 WeakPolarHBondContact O-CB 3.33Å; R1461-L1465 VanDerWaalsContact O-CG 3.31Å; R1461-L1465 WeakPolarHBondContact O-CG 3.24Å; R1461-L1465 PolarHBondContact O-N 3.3Å; I1462-L1465 CarbonylContact O-C 3.57Å; I1462-L1465 PolarHBondContact O-N 3.44Å; L1465-N1467 VanDerWaalsContact C-N 3.3Å; L1465-N1467 PolarHBondContact O-N 2.89Å; L1465-D1468 PolarHBondContact O-N 3.32Å; L1465-V1469 WeakPolarHBondContact O-CB 3.35Å; L1465-V1469 WeakPolarHBondContact O-CG2 3.36Å; L1465-V1469 PolarHBondContact O-N 3.03Å |
| 1466 | E | 84.7 | Confident | 78.3 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 174.3 | -75.6 | 170.2 | 158.7 | 0 | 0 | 111 | I1462 R1463 A1470 | I1462-E1466 HydrophobicContact CG2-CG 4.18Å; I1462-E1466 WeakPolarHBondContact O-CB 3.34Å; I1462-E1466 VanDerWaalsContact O-CG 3.28Å; I1462-E1466 WeakPolarHBondContact O-CG 3.04Å; I1462-E1466 PolarHBondContact O-N 2.66Å; R1463-E1466 PolarHBondContact O-N 3.48Å; E1466-A1470 VanDerWaalsContact O-CB 3.25Å; E1466-A1470 WeakPolarHBondContact O-CB 3.41Å; E1466-A1470 PolarHBondContact O-N 3.34Å |
| 1467 | N | 84.7 | Confident | 76.1 | Confident | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -42.2 | 173 | -78 | -41.6 | 0 | 0 | 0 | 111.9 | R1463 D1464 L1465 A1470 R1471 | R1463-N1467 WeakPolarHBondContact O-CB 3.49Å; R1463-N1467 VanDerWaalsContact O-CG 3.29Å; R1463-N1467 PolarHBondContact O-N 2.98Å; R1463-N1467 PolarHBondContact O-ND2 3.37Å; D1464-N1467 PolarHBondContact O-N 3.31Å; L1465-N1467 VanDerWaalsContact C-N 3.3Å; L1465-N1467 PolarHBondContact O-N 2.89Å; N1467-A1470 PolarHBondContact O-N 2.97Å; N1467-R1471 WeakPolarHBondContact O-CB 3.41Å; N1467-R1471 VanDerWaalsContact O-CG 3.23Å; N1467-R1471 WeakPolarHBondContact O-CG 3.44Å; N1467-R1471 PolarHBondContact O-N 3.2Å |
| 1468 | D | 83.3 | Confident | 74.1 | Confident | 71 Ų | 71 | 110.8 Ų | 110.8 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.3 | -38 | 177.1 | -79.7 | -21.8 | 0 | 0 | 0 | 112.8 | D1464 L1465 R1471 L1472 | D1464-D1468 PolarHBondContact O-N 2.74Å; L1465-D1468 PolarHBondContact O-N 3.32Å; D1468-R1471 PolarHBondContact O-N 2.89Å; D1468-R1471 IonicContact OD1-CZ 2.82Å; D1468-R1471 IonicContact OD1-NH1 2.64Å; D1468-R1471 PolarHBondContact OD1-NH1 2.86Å; D1468-L1472 WeakPolarHBondContact O-CB 3.35Å; D1468-L1472 WeakPolarHBondContact O-CG 3.27Å; D1468-L1472 PolarHBondContact O-N 3.42Å |
| 1469 | V | 78.8 | Confident | 71.8 | Confident | 88 Ų | 88 | 110.8 Ų | 110.8 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 170.8 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L1465 R1471 L1472 K1473 | L1465-V1469 WeakPolarHBondContact O-CB 3.35Å; L1465-V1469 WeakPolarHBondContact O-CG2 3.36Å; L1465-V1469 PolarHBondContact O-N 3.03Å; V1469-R1471 VanDerWaalsContact C-N 3.33Å; V1469-R1471 PolarHBondContact O-N 3.44Å; V1469-L1472 PolarHBondContact O-N 3.31Å; V1469-K1473 VanDerWaalsContact O-CB 3.27Å; V1469-K1473 WeakPolarHBondContact O-CB 3.4Å; V1469-K1473 PolarHBondContact O-N 3.04Å |
| 1470 | A | 77.3 | Confident | 69.2 | Low | 59 Ų | 59 | 114.5 Ų | 114.5 | 49% | 0.488 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.7 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1466 N1467 K1473 A1474 | E1466-A1470 VanDerWaalsContact O-CB 3.25Å; E1466-A1470 WeakPolarHBondContact O-CB 3.41Å; E1466-A1470 PolarHBondContact O-N 3.34Å; N1467-A1470 PolarHBondContact O-N 2.97Å; A1470-K1473 PolarHBondContact O-N 3.45Å; A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.44Å |
| 1471 | R | 77.7 | Confident | 66.7 | Low | 166 Ų | 166 | 117.4 Ų | 117.4 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -45 | 173.4 | -73 | 170.1 | 66.3 | -132.2 | -4.6 | 112.1 | N1467 D1468 V1469 A1474 C1475 | N1467-R1471 WeakPolarHBondContact O-CB 3.41Å; N1467-R1471 VanDerWaalsContact O-CG 3.23Å; N1467-R1471 WeakPolarHBondContact O-CG 3.44Å; N1467-R1471 PolarHBondContact O-N 3.2Å; D1468-R1471 PolarHBondContact O-N 2.89Å; D1468-R1471 IonicContact OD1-CZ 2.82Å; D1468-R1471 IonicContact OD1-NH1 2.64Å; D1468-R1471 PolarHBondContact OD1-NH1 2.86Å; V1469-R1471 VanDerWaalsContact C-N 3.33Å; V1469-R1471 PolarHBondContact O-N 3.44Å; R1471-A1474 PolarHBondContact O-N 3.34Å; R1471-C1475 PolarHBondContact O-N 3.21Å; R1471-C1475 PolarHBondContact O-SG 3.09Å |
| 1472 | L | 68.2 | Low | 64.3 | Low | 121 Ų | 121 | 110.8 Ų | 110.8 | 63% | 0.634 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.6 | -42.5 | 176.3 | -73.3 | 167.8 | 0 | 0 | 0 | 111.9 | D1468 V1469 C1475 S1476 | D1468-L1472 WeakPolarHBondContact O-CB 3.35Å; D1468-L1472 WeakPolarHBondContact O-CG 3.27Å; D1468-L1472 PolarHBondContact O-N 3.42Å; V1469-L1472 PolarHBondContact O-N 3.31Å; L1472-C1475 WeakPolarHBondContact O-CB 3.26Å; L1472-C1475 PolarHBondContact O-N 2.85Å; L1472-C1475 VanDerWaalsContact O-N 3.17Å; L1472-S1476 PolarHBondContact O-N 3.1Å; L1472-S1476 PolarHBondContact O-OG 3.15Å |
| 1473 | K | 67.8 | Low | 61.9 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -37 | 178 | -156.6 | 167.9 | -170.3 | 173.5 | 0 | 111.7 | V1469 A1470 C1475 S1476 | V1469-K1473 VanDerWaalsContact O-CB 3.27Å; V1469-K1473 WeakPolarHBondContact O-CB 3.4Å; V1469-K1473 PolarHBondContact O-N 3.04Å; A1470-K1473 PolarHBondContact O-N 3.45Å; K1473-C1475 VanDerWaalsContact C-N 3.35Å; K1473-S1476 PolarHBondContact O-N 2.81Å |
| 1474 | A | 69.9 | Low | 59.3 | Low | 62 Ų | 62 | 112.9 Ų | 112.9 | 51% | 0.512 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.7 | -37.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1470 R1471 S1476 S1477 | A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.44Å; R1471-A1474 PolarHBondContact O-N 3.34Å; A1474-S1476 VanDerWaalsContact C-N 3.32Å; A1474-S1476 PolarHBondContact O-N 3.3Å; A1474-S1477 PolarHBondContact O-N 2.82Å; A1474-S1477 PolarHBondContact O-OG 3.36Å |
| 1475 | C | 57.4 | Low | 56.6 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.9 | -25.9 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | R1471 L1472 K1473 S1477 | R1471-C1475 PolarHBondContact O-N 3.21Å; R1471-C1475 PolarHBondContact O-SG 3.09Å; L1472-C1475 WeakPolarHBondContact O-CB 3.26Å; L1472-C1475 PolarHBondContact O-N 2.85Å; L1472-C1475 VanDerWaalsContact O-N 3.17Å; K1473-C1475 VanDerWaalsContact C-N 3.35Å; C1475-S1477 PolarHBondContact O-N 3.36Å |
| 1476 | S | 48.4 | Very low | 54 | Low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -1.3 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 114.4 | L1472 K1473 A1474 K1478 | L1472-S1476 PolarHBondContact O-N 3.1Å; L1472-S1476 PolarHBondContact O-OG 3.15Å; K1473-S1476 PolarHBondContact O-N 2.81Å; A1474-S1476 VanDerWaalsContact C-N 3.32Å; A1474-S1476 PolarHBondContact O-N 3.3Å; S1476-K1478 PolarHBondContact O-N 2.88Å; S1476-K1478 VanDerWaalsContact O-N 3.12Å |
| 1477 | S | 41.2 | Very low | 51.3 | Low | 99 Ų | 99 | 121.5 Ų | 121.5 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | -79 | 16.5 | -174.3 | 63.5 | 0 | 0 | 0 | 0 | 115.9 | A1474 C1475 | A1474-S1477 PolarHBondContact O-N 2.82Å; A1474-S1477 PolarHBondContact O-OG 3.36Å; C1475-S1477 PolarHBondContact O-N 3.36Å | ||
| 1478 | K | 42.9 | Very low | 48.8 | Very low | 191 Ų | 191 | 123 Ų | 123 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | trans | -129 | 80.9 | 178.6 | -75.4 | -176.3 | 177.4 | 176.6 | 0 | 112.8 | S1476 | S1476-K1478 PolarHBondContact O-N 2.88Å; S1476-K1478 VanDerWaalsContact O-N 3.12Å | ||
| 1479 | V | 36.2 | Very low | 46.2 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 92% | 0.915 | 72% | 0.715 | S | S | * | * | trans | -171.7 | 140.3 | 141.2 | 143 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1480 | N | 30.2 | Very low | 43.7 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -134.1 | 112.6 | -163 | 167.2 | 33.3 | 0 | 0 | 0 | 111.2 | ||||
| 1481 | V | 33.8 | Very low | 41.5 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -152.7 | 113.1 | 147.6 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1482 | G | 32.4 | Very low | 39.1 | Very low | 52 Ų | 52 | 127.8 Ų | 127.8 | 54% | 0.536 | 74% | 0.739 | S | S | . | * | 52.8 | 78.7 | 127.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1483 | S | 29 | Very low | 37.3 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | 33.5 | 88 | 130 | 61.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 1484 | V | 30.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -129.5 | 125.8 | 139.5 | 178.9 | 0 | 0 | 0 | 0 | 105.4 | I1486 | V1484-I1486 HydrophobicContact CB-CG1 4.47Å; V1484-I1486 HydrophobicContact CG1-CG1 4.23Å; V1484-I1486 PolarHBondContact O-N 3.48Å | ||
| 1485 | Q | 29.7 | Very low | 33.5 | Very low | 207 Ų | 207 | 127.4 Ų | 127.4 | 97% | 0.967 | 74% | 0.743 | S | S | * | * | trans | -78.8 | 80.5 | 179.8 | -98.6 | -178.7 | -34.5 | 0 | 0 | 110.3 | ||||
| 1486 | I | 29.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 54% | 0.538 | 75% | 0.751 | S | S | . | * | trans | -73 | 138.3 | 167.2 | -58.3 | 158.1 | 0 | 0 | 0 | 108.2 | V1484 D1488 | V1484-I1486 HydrophobicContact CB-CG1 4.47Å; V1484-I1486 HydrophobicContact CG1-CG1 4.23Å; V1484-I1486 PolarHBondContact O-N 3.48Å; I1486-D1488 VanDerWaalsContact CG2-CG 3.47Å; I1486-D1488 WeakPolarHBondContact CG2-OD1 3.33Å; I1486-D1488 WeakPolarHBondContact CG2-OD2 3.48Å | ||
| 1487 | N | 28.9 | Very low | 31.4 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -151.4 | 84.1 | 154 | -96.9 | -16.1 | 0 | 0 | 0 | 107.5 | ||||
| 1488 | D | 32.4 | Very low | 30.7 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -55.5 | 139.9 | 172.1 | -47.6 | -57.9 | 0 | 0 | 0 | 109.4 | I1486 | I1486-D1488 VanDerWaalsContact CG2-CG 3.47Å; I1486-D1488 WeakPolarHBondContact CG2-OD1 3.33Å; I1486-D1488 WeakPolarHBondContact CG2-OD2 3.48Å | ||
| 1489 | S | 27.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | 58.6 | 99.7 | 58 | -66.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1490 | S | 27.7 | Very low | 29.8 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | 72 | 158.3 | 147.5 | -70.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1491 | A | 30.1 | Very low | 29.9 | Very low | 68 Ų | 68 | 141 Ų | 141 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | trans | 82.2 | 104.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | I1525 | A1491-I1525 HydrophobicContact CB-CD1 3.77Å; A1491-I1525 HydrophobicContact CB-CG2 4.22Å | ||
| 1492 | R | 28.1 | Very low | 29.8 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | 78.3 | 138.4 | 70.5 | -93.5 | -172.2 | 175.4 | 175.8 | -0.4 | 114.3 | I1525 | R1492-I1525 HydrophobicContact CB-CG2 3.56Å; R1492-I1525 HydrophobicContact CG-CG2 4.33Å; R1492-I1525 WeakPolarHBondContact O-CD1 3.25Å | |||
| 1493 | L | 28.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 51% | 0.513 | 75% | 0.747 | S | S | . | * | trans | 94.5 | 133.2 | 150.2 | -74.5 | -154.8 | 0 | 0 | 0 | 121.4 | I1525 | L1493-I1525 HydrophobicContact CB-CG1 4.17Å; L1493-I1525 HydrophobicContact CD1-CB 4.4Å; L1493-I1525 HydrophobicContact CD1-CG1 4.34Å; L1493-I1525 HydrophobicContact CD1-CG2 4.39Å; L1493-I1525 HydrophobicContact CG-CG1 4.3Å; L1493-I1525 HydrophobicContact CG-CG2 4.17Å | ||
| 1494 | L | 30.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 79.1 | 101 | 155.8 | -61.5 | 154.3 | 0 | 0 | 0 | 114.6 | ||||
| 1495 | S | 28.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | 59.9 | 106.4 | 66.5 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1496 | E | 29.2 | Very low | 29.9 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | -161.8 | 162 | 98.1 | -101.6 | -161.9 | 148.1 | 0 | 0 | 111.5 | |||||
| 1497 | P | 31.8 | Very low | 30 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -95.4 | -165.2 | -163.1 | 40.3 | -38.9 | 0 | 0 | 0 | 113.1 | ||||
| 1498 | E | 26.8 | Very low | 30 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | 63 | 97.8 | 154.4 | -71.7 | -158.9 | 174.2 | 0 | 0 | 118.9 | ||||
| 1499 | Q | 30.7 | Very low | 29.9 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | 177.8 | 128.6 | 94.8 | -97.8 | 165.6 | 23 | 0 | 0 | 113.2 | R1501 | Q1499-R1501 HydrophobicContact CB-CG 4.43Å; Q1499-R1501 PolarHBondContact O-N 2.84Å; Q1499-R1501 VanDerWaalsContact O-N 3.09Å | |||
| 1500 | R | 30.2 | Very low | 30 | Very low | 258 Ų | 258 | 142.3 Ų | 142.3 | 97% | 0.974 | 75% | 0.746 | S | S | * | * | trans | -71.2 | 96.2 | 158.8 | -73.1 | -175.4 | 174.4 | -170.6 | 0.3 | 109.1 | ||||
| 1501 | R | 30.9 | Very low | 30.2 | Very low | 225 Ų | 225 | 142.3 Ų | 142.3 | 85% | 0.849 | 74% | 0.736 | S | S | * | * | trans | -82.2 | 136.9 | 175.8 | -80.5 | -168.1 | 175.6 | -156.2 | 0.5 | 113.6 | Q1499 | Q1499-R1501 HydrophobicContact CB-CG 4.43Å; Q1499-R1501 PolarHBondContact O-N 2.84Å; Q1499-R1501 VanDerWaalsContact O-N 3.09Å | ||
| 1502 | G | 32.9 | Very low | 30.2 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | 115 | 114.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1503 | C | 30.2 | Very low | 30.4 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -146.1 | 173 | -3.8 | -79.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1504 | E | 31 | Very low | 30.6 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -153.6 | 165.8 | 8.5 | -120.9 | 130 | -137.8 | 0 | 0 | 105.1 | ||||
| 1505 | G | 31.2 | Very low | 30.5 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | 127.1 | 80 | 14.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1506 | H | 30.4 | Very low | 30.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -139.9 | 145.2 | 158 | -145.5 | 49.5 | 0 | 0 | 0 | 112.9 | ||||
| 1507 | L | 31.6 | Very low | 30.9 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -89.2 | 156.7 | -175.1 | -72.2 | 71.9 | 0 | 0 | 0 | 110 | ||||
| 1508 | E | 29.3 | Very low | 31 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | -179.3 | 171.6 | 100.9 | -96.4 | -173.2 | 171.9 | 0 | 0 | 112.3 | |||||
| 1509 | S | 30.7 | Very low | 31.3 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 88.2 | 85.2 | 166.2 | -171.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1510 | F | 29.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 72.3 | 106.9 | 127.2 | -69.4 | -74.7 | 0 | 0 | 0 | 122.2 | |||||
| 1511 | D | 31.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | 70.7 | 103.4 | 118.3 | -71.8 | 4.6 | 0 | 0 | 0 | 123.8 | |||||
| 1512 | Q | 30.5 | Very low | 31 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | 91.3 | 148.5 | 103.9 | -146.1 | -173.2 | 33.7 | 0 | 0 | 120.3 | |||||
| 1513 | V | 32.6 | Very low | 30.7 | Very low | 106 Ų | 106 | 138 Ų | 138 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | 93.8 | 94.5 | 156.8 | -168.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1514 | N | 31.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 65.4 | 107.3 | 131.3 | -61.9 | -3.3 | 0 | 0 | 0 | 123.5 | ||||
| 1515 | A | 29.7 | Very low | 30.6 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | 75.1 | 156.2 | 98.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1516 | D | 34.7 | Very low | 30.2 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | 83.9 | 100.6 | 157.9 | -69.7 | -14.5 | 0 | 0 | 0 | 121.3 | ||||
| 1517 | Q | 30.3 | Very low | 30.1 | Very low | 183 Ų | 183 | 130.7 Ų | 130.7 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | 105 | 149.3 | 129.1 | -73.3 | -162.2 | 7.9 | 0 | 0 | 120.2 | |||||
| 1518 | P | 34.5 | Very low | 29.8 | Very low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | -121.3 | -174 | -149.4 | 43.5 | -29.7 | 0 | 0 | 0 | 113.9 | ||||
| 1519 | N | 33.9 | Very low | 29.7 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | 117.5 | 118.7 | 170.2 | -66.3 | -53.7 | 0 | 0 | 0 | 110.8 | ||||
| 1520 | R | 27.7 | Very low | 29.6 | Very low | 224 Ų | 224 | 128.8 Ų | 128.8 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | cis | 91.2 | 137.3 | 48.5 | -170.9 | -169.6 | -157.9 | -152.3 | 5.3 | 110.6 | ||||
| 1521 | V | 30 | Very low | 29.4 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | trans | 77.2 | 106 | -176.8 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1522 | C | 26.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | cis | 80.3 | 83.2 | 46.5 | -54.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1523 | S | 27.7 | Very low | 29.3 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | -168.4 | 108.2 | 157.6 | 50.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1524 | S | 25.6 | Very low | 29.1 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | 69.5 | 94.2 | 93.4 | -159.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 1525 | I | 32.3 | Very low | 29 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 31% | 0.308 | 74% | 0.736 | S | S | . | * | 85.3 | 69.7 | 68.7 | -61.9 | 159.1 | 0 | 0 | 0 | 112.7 | A1491 R1492 L1493 | A1491-I1525 HydrophobicContact CB-CD1 3.77Å; A1491-I1525 HydrophobicContact CB-CG2 4.22Å; R1492-I1525 HydrophobicContact CB-CG2 3.56Å; R1492-I1525 HydrophobicContact CG-CG2 4.33Å; R1492-I1525 WeakPolarHBondContact O-CD1 3.25Å; L1493-I1525 HydrophobicContact CB-CG1 4.17Å; L1493-I1525 HydrophobicContact CD1-CB 4.4Å; L1493-I1525 HydrophobicContact CD1-CG1 4.34Å; L1493-I1525 HydrophobicContact CD1-CG2 4.39Å; L1493-I1525 HydrophobicContact CG-CG1 4.3Å; L1493-I1525 HydrophobicContact CG-CG2 4.17Å | |||
| 1526 | T | 24.5 | Very low | 29 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -166.7 | 172.6 | 154.3 | -3.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1527 | A | 26.4 | Very low | 28.6 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | -58.2 | 142 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1528 | S | 26.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -157 | 110.3 | 154.7 | -82.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1529 | L | 27.1 | Very low | 28.4 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | 74.8 | 118 | 73.5 | -70.5 | 164.3 | 0 | 0 | 0 | 112.1 | |||||
| 1530 | L | 28.1 | Very low | 28.5 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 52.2 | 114.2 | 133.7 | -55 | 172.9 | 0 | 0 | 0 | 118.1 | ||||
| 1531 | R | 26.5 | Very low | 28.8 | Very low | 250 Ų | 250 | 124 Ų | 124 | 94% | 0.943 | 73% | 0.728 | S | S | * | * | -144 | 109.8 | 125.5 | -129.5 | 169.2 | -173.9 | 161.4 | 3.2 | 113.4 | |||||
| 1532 | C | 32.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | trans | -58.8 | 165.8 | 165 | -47.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1533 | P | 28.3 | Very low | 29 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | -137.7 | 161.9 | 95 | 41.4 | -30.2 | 0 | 0 | 0 | 111.8 | |||||
| 1534 | A | 28 | Very low | 29.4 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | cis | -161.7 | 146.6 | 18.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1535 | T | 27.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | trans | 57.5 | 160.2 | 139.9 | 56.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1536 | P | 30.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | cis | -118.7 | 148.8 | -9.4 | 15.5 | 9 | 0 | 0 | 0 | 112.9 | ||||
| 1537 | R | 26.3 | Very low | 30.1 | Very low | 221 Ų | 221 | 134.9 Ų | 134.9 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | 100.6 | 139.6 | 55.3 | -161.8 | -150.5 | 170.3 | 146.3 | 1.1 | 112.1 | |||||
| 1538 | N | 32.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | trans | 78.8 | 142.5 | 175.4 | -57.8 | 8.7 | 0 | 0 | 0 | 116.5 | ||||
| 1539 | D | 28.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -165.9 | 163.8 | -16.8 | -92.8 | -34.2 | 0 | 0 | 0 | 109 | ||||
| 1540 | S | 35 | Very low | 30.5 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 64.7 | 142.6 | 171.5 | 63.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1541 | T | 35 | Very low | 30.6 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | cis | -154.9 | 128.9 | -8.6 | 13.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1542 | E | 28.8 | Very low | 30.5 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | 46.3 | 139.6 | 120 | -63.1 | -172.2 | 143.8 | 0 | 0 | 124 | |||||
| 1543 | N | 31.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 71.5 | 97.3 | 145.6 | -65 | -32.3 | 0 | 0 | 0 | 120.3 | ||||
| 1544 | L | 36.4 | Very low | 30.2 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 163 | 79.5 | 134.1 | -87.8 | 165 | 0 | 0 | 0 | 105.5 | ||||
| 1545 | L | 29.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 59% | 0.586 | 75% | 0.747 | S | S | * | * | cis | 54.5 | 112.8 | 46.5 | -95.9 | 169.6 | 0 | 0 | 0 | 112.6 | ||||
| 1546 | D | 36.7 | Very low | 30.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | 52.1 | 72 | 146.3 | -56.7 | -7.1 | 0 | 0 | 0 | 118.3 | ||||
| 1547 | Q | 29.3 | Very low | 29.9 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -164.7 | 144 | 150.1 | -107.1 | 139.2 | 94.2 | 0 | 0 | 111.4 | ||||
| 1548 | L | 32.9 | Very low | 30.1 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 77.9 | 25.3 | 173.5 | -47.7 | -178.4 | 0 | 0 | 0 | 117.9 | ||||
| 1549 | A | 27 | Very low | 29.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | -68.7 | 155.2 | 120.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1550 | D | 29 | Very low | 29.8 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 70.2 | 101.3 | -169.5 | -53.2 | -27.9 | 0 | 0 | 0 | 114.9 | ||||
| 1551 | Y | 30.3 | Very low | 29.5 | Very low | 216 Ų | 216 | 132.9 Ų | 132.9 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | -168.6 | 82.7 | 119 | -105.9 | -67.7 | 0 | 0 | 0 | 112.1 | V1553 | Y1551-V1553 HydrophobicContact CD1-CG2 4.17Š| |||
| 1552 | T | 25.1 | Very low | 29.4 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | -76.9 | 108.5 | 162.4 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1553 | V | 29.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | -151.6 | 102.8 | 164.2 | -179.4 | 0 | 0 | 0 | 0 | 105.9 | Y1551 | Y1551-V1553 HydrophobicContact CD1-CG2 4.17Š| ||
| 1554 | S | 24.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | 58.7 | 91.2 | 56.7 | -171.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1555 | C | 28.5 | Very low | 29.5 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -174.1 | 94.1 | 147.9 | -90.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1556 | D | 26.1 | Very low | 29.6 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 50.2 | 113.3 | 83 | -73.4 | -32.2 | 0 | 0 | 0 | 113.4 | |||||
| 1557 | S | 25.7 | Very low | 29.3 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 27.2 | 129.6 | 145.2 | 63.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1558 | V | 29.8 | Very low | 29.4 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | -165.8 | 123.2 | 108.8 | 139.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1559 | S | 25.1 | Very low | 29.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | trans | -0.5 | 130.6 | 140.6 | 173.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1560 | M | 30.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | 175.7 | 115.8 | 110.7 | -91.3 | -56.8 | -169.2 | 0 | 0 | 110.7 | |||||
| 1561 | D | 28.8 | Very low | 30 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | 71.5 | 136.9 | 112.9 | -141.8 | 28.2 | 0 | 0 | 0 | 120.3 | |||||
| 1562 | N | 33.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | trans | 95.8 | 97.2 | 153.7 | -58.5 | -57.5 | 0 | 0 | 0 | 122 | ||||
| 1563 | T | 34.2 | Very low | 30.1 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | 76.2 | 129.4 | 116.7 | 63.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1564 | H | 32.2 | Very low | 30.2 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | 43.4 | 133.5 | 126.1 | -67.3 | -80.7 | 0 | 0 | 0 | 119.5 | |||||
| 1565 | D | 30.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | cis | -155.4 | 158.8 | 14.6 | -92.6 | -41.7 | 0 | 0 | 0 | 110.2 | ||||
| 1566 | P | 32.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -85.7 | 168.1 | 168.6 | 37 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 1567 | V | 30.7 | Very low | 30.9 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 171.9 | 130.7 | 136.9 | 147.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1568 | S | 31.1 | Very low | 31.1 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | trans | 54.9 | 107.9 | 154.3 | 71.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1569 | S | 28 | Very low | 31.2 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | 22.1 | 129.1 | 120 | 62 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1570 | I | 34.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -153.7 | 124.8 | 144.6 | -93 | 138.1 | 0 | 0 | 0 | 109.5 | ||||
| 1571 | N | 37.8 | Very low | 31.9 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | 27.7 | 127.7 | 150.6 | -48.9 | -4.7 | 0 | 0 | 0 | 122.5 | ||||
| 1572 | N | 28.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 56% | 0.556 | 73% | 0.734 | S | S | * | * | 51 | 129.4 | 122.5 | -57.8 | 44 | 0 | 0 | 0 | 121.3 | |||||
| 1573 | E | 29.2 | Very low | 32.5 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | 29.7 | 92.9 | 130.3 | -56 | 178.7 | 126.3 | 0 | 0 | 118.4 | ||||
| 1574 | E | 31.4 | Very low | 32.8 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | -166.1 | 153.3 | 128.4 | -120.3 | -174.4 | 152.6 | 0 | 0 | 113.1 | |||||
| 1575 | L | 34.6 | Very low | 33.5 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 69.6 | 87.3 | 155.9 | -61.8 | 163.3 | 0 | 0 | 0 | 118.3 | ||||
| 1576 | A | 27.4 | Very low | 34.1 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -51.3 | 170 | 138.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1577 | V | 32 | Very low | 34.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | 94 | 136.6 | 163.4 | -165.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1578 | T | 30.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | 78.5 | 127.7 | -179 | 77.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1579 | F | 32.5 | Very low | 37.6 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | cis | -137.3 | 132.6 | 10.5 | -75 | -92 | 0 | 0 | 0 | 110.2 | ||||
| 1580 | H | 34.6 | Very low | 38.5 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | 74.4 | 119.5 | 81.1 | -111.2 | -49.6 | 0 | 0 | 0 | 117.2 | |||||
| 1581 | N | 35.8 | Very low | 39.9 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | trans | 61.1 | 123.8 | 157.8 | -52.4 | -12.2 | 0 | 0 | 0 | 117.7 | ||||
| 1582 | D | 40.1 | Very low | 41.4 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | cis | -146.4 | 160.4 | 46.5 | -107 | -33.3 | 0 | 0 | 0 | 114.2 | ||||
| 1583 | G | 34.2 | Very low | 42.9 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 69% | 0.69 | S | S | * | * | trans | -91.1 | 141.4 | -153 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1584 | C | 40 | Very low | 44.7 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 50% | 0.5 | 67% | 0.674 | S | S | . | * | trans | -100.5 | 116.7 | 161.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | R1586 C1587 | C1584-R1586 PolarHBondContact O-N 3.43Å; C1584-C1587 PolarHBondContact O-N 2.82Å; C1584-C1587 VanDerWaalsContact O-N 3.14Å | ||
| 1585 | N | 47.5 | Very low | 46.5 | Very low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59.2 | -21.7 | 179.9 | -75.7 | -30.9 | 0 | 0 | 0 | 114 | H1588 | N1585-H1588 PolarHBondContact O-N 2.84Å |
| 1586 | R | 42.4 | Very low | 48.1 | Very low | 212 Ų | 212 | 121.3 Ų | 121.3 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.9 | -40.2 | 178.2 | -146 | 174.4 | -165.4 | 171.9 | 2.6 | 111.5 | C1584 H1588 N1589 M1590 | C1584-R1586 PolarHBondContact O-N 3.43Å; R1586-H1588 VanDerWaalsContact C-N 3.33Å; R1586-H1588 PolarHBondContact O-N 3.37Å; R1586-N1589 PolarHBondContact O-N 3.3Å; R1586-M1590 PolarHBondContact O-N 3.28Å |
| 1587 | C | 51.2 | Low | 49.8 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 50% | 0.5 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.7 | -34.1 | 177.5 | -54 | 0 | 0 | 0 | 0 | 112 | C1584 N1589 M1590 N1591 | C1584-C1587 PolarHBondContact O-N 2.82Å; C1584-C1587 VanDerWaalsContact O-N 3.14Å; C1587-N1589 VanDerWaalsContact C-N 3.35Å; C1587-N1589 PolarHBondContact O-N 2.83Å; C1587-M1590 PolarHBondContact O-N 2.91Å; C1587-N1591 PolarHBondContact O-N 2.64Å |
| 1588 | H | 56.9 | Low | 51.7 | Low | 125 Ų | 125 | 122.5 Ų | 122.5 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.3 | -32.2 | 179.8 | -160.4 | 73.2 | 0 | 0 | 0 | 113 | N1585 R1586 K1592 | N1585-H1588 PolarHBondContact O-N 2.84Å; R1586-H1588 VanDerWaalsContact C-N 3.33Å; R1586-H1588 PolarHBondContact O-N 3.37Å; H1588-K1592 PolarHBondContact O-N 3.41Å |
| 1589 | N | 59.9 | Low | 53.9 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.1 | -36.9 | 174.1 | -77.2 | -15.7 | 0 | 0 | 0 | 112.4 | R1586 C1587 K1592 L1593 | R1586-N1589 PolarHBondContact O-N 3.3Å; C1587-N1589 VanDerWaalsContact C-N 3.35Å; C1587-N1589 PolarHBondContact O-N 2.83Å; N1589-K1592 PolarHBondContact O-N 3.46Å; N1589-L1593 PolarHBondContact O-N 3.16Å |
| 1590 | M | 48.8 | Very low | 55.6 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 50% | 0.498 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.9 | -41.4 | 172.3 | -87.7 | -159.3 | 71.5 | 0 | 0 | 112.6 | R1586 C1587 K1592 L1593 L1594 | R1586-M1590 PolarHBondContact O-N 3.28Å; C1587-M1590 PolarHBondContact O-N 2.91Å; M1590-K1592 PolarHBondContact O-N 3.44Å; M1590-K1592 VanDerWaalsContact O-N 3.1Å; M1590-L1593 PolarHBondContact O-N 2.68Å; M1590-L1594 PolarHBondContact O-N 2.79Å |
| 1591 | N | 62.2 | Low | 57.1 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.8 | -13.7 | 175.6 | -78.7 | -15.9 | 0 | 0 | 0 | 114 | C1587 P1595 | C1587-N1591 PolarHBondContact O-N 2.64Å; N1591-P1595 WeakPolarHBondContact O-CD 3.45Å |
| 1592 | K | 70.1 | Confident | 59 | Low | 152 Ų | 152 | 108 Ų | 108 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -87 | -30.7 | 170.6 | -115.6 | -178.5 | 179.8 | 179.9 | 0 | 113.5 | H1588 N1589 M1590 | H1588-K1592 PolarHBondContact O-N 3.41Å; N1589-K1592 PolarHBondContact O-N 3.46Å; M1590-K1592 PolarHBondContact O-N 3.44Å; M1590-K1592 VanDerWaalsContact O-N 3.1Å |
| 1593 | L | 60.7 | Low | 60.5 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.8 | -29.8 | 175 | -80.6 | 158.5 | 0 | 0 | 0 | 112.1 | N1589 M1590 E1596 L1597 | N1589-L1593 PolarHBondContact O-N 3.16Å; M1590-L1593 PolarHBondContact O-N 2.68Å; L1593-E1596 PolarHBondContact O-N 3.11Å; L1593-L1597 WeakPolarHBondContact O-CB 3.48Å; L1593-L1597 PolarHBondContact O-N 3.23Å |
| 1594 | L | 66 | Low | 61.9 | Low | 94 Ų | 94 | 107.6 Ų | 107.6 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -54.9 | -45.4 | -178 | -134.1 | 79.1 | 0 | 0 | 0 | 114.2 | M1590 L1597 H1598 | M1590-L1594 PolarHBondContact O-N 2.79Å; L1594-L1597 PolarHBondContact O-N 3.25Å; L1594-H1598 VanDerWaalsContact O-CB 3.3Å; L1594-H1598 WeakPolarHBondContact O-CB 3.41Å; L1594-H1598 PolarHBondContact O-N 2.81Å |
| 1595 | P | 69.5 | Low | 63.2 | Low | 83 Ų | 83 | 111.2 Ų | 111.2 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.4 | -33.6 | 178.2 | -19.5 | 33.7 | 0 | 0 | 0 | 113.5 | N1591 S1599 | N1591-P1595 WeakPolarHBondContact O-CD 3.45Å; P1595-S1599 VanDerWaalsContact O-CB 3.31Å; P1595-S1599 WeakPolarHBondContact O-CB 3.24Å; P1595-S1599 PolarHBondContact O-N 3.1Å |
| 1596 | E | 68.9 | Low | 64.6 | Low | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.1 | -44.8 | 173.6 | -73.2 | -173.3 | 152.8 | 0 | 0 | 110.4 | L1593 H1598 S1599 T1600 | L1593-E1596 PolarHBondContact O-N 3.11Å; E1596-H1598 PolarHBondContact O-N 2.96Å; E1596-S1599 PolarHBondContact O-N 2.89Å; E1596-T1600 WeakPolarHBondContact O-CG2 3.34Å; E1596-T1600 PolarHBondContact O-N 2.94Å; E1596-T1600 PolarHBondContact O-OG1 3.4Å |
| 1597 | L | 62.8 | Low | 66.1 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.5 | -49.3 | 174.1 | -162.4 | 74.4 | 0 | 0 | 0 | 110.2 | L1593 L1594 S1599 T1600 T1601 | L1593-L1597 WeakPolarHBondContact O-CB 3.48Å; L1593-L1597 PolarHBondContact O-N 3.23Å; L1594-L1597 PolarHBondContact O-N 3.25Å; L1597-S1599 VanDerWaalsContact C-N 3.34Å; L1597-S1599 PolarHBondContact O-N 3.49Å; L1597-T1600 WeakPolarHBondContact CA-OG1 3.47Å; L1597-T1600 CarbonylContact O-C 3.58Å; L1597-T1600 PolarHBondContact O-N 2.88Å; L1597-T1600 VanDerWaalsContact O-N 3.13Å; L1597-T1600 PolarHBondContact O-OG1 3.23Å; L1597-T1601 WeakPolarHBondContact O-CB 3.22Å; L1597-T1601 PolarHBondContact O-N 3.46Å; L1597-T1601 PolarHBondContact O-OG1 3.45Å |
| 1598 | H | 71.7 | Confident | 66.6 | Low | 127 Ų | 127 | 107.5 Ų | 107.5 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | 176.9 | -163.6 | 83.3 | 0 | 0 | 0 | 112.5 | L1594 E1596 T1601 V1602 | L1594-H1598 VanDerWaalsContact O-CB 3.3Å; L1594-H1598 WeakPolarHBondContact O-CB 3.41Å; L1594-H1598 PolarHBondContact O-N 2.81Å; E1596-H1598 PolarHBondContact O-N 2.96Å; H1598-T1601 PolarHBondContact O-N 2.77Å; H1598-V1602 WeakPolarHBondContact O-CB 3.25Å; H1598-V1602 VanDerWaalsContact O-CG2 3.32Å; H1598-V1602 WeakPolarHBondContact O-CG2 3.38Å; H1598-V1602 PolarHBondContact O-N 3.46Å |
| 1599 | S | 75.2 | Confident | 67.2 | Low | 61 Ų | 61 | 105.6 Ų | 105.6 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 112 | P1595 E1596 L1597 V1602 Q1603 | P1595-S1599 VanDerWaalsContact O-CB 3.31Å; P1595-S1599 WeakPolarHBondContact O-CB 3.24Å; P1595-S1599 PolarHBondContact O-N 3.1Å; E1596-S1599 PolarHBondContact O-N 2.89Å; L1597-S1599 VanDerWaalsContact C-N 3.34Å; L1597-S1599 PolarHBondContact O-N 3.49Å; S1599-V1602 PolarHBondContact O-N 2.96Å; S1599-Q1603 WeakPolarHBondContact O-CG 3.46Å; S1599-Q1603 PolarHBondContact O-N 3.4Å |
| 1600 | T | 68.4 | Low | 68 | Low | 70 Ų | 70 | 105.3 Ų | 105.3 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 174.7 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | E1596 L1597 Q1603 L1604 | E1596-T1600 WeakPolarHBondContact O-CG2 3.34Å; E1596-T1600 PolarHBondContact O-N 2.94Å; E1596-T1600 PolarHBondContact O-OG1 3.4Å; L1597-T1600 WeakPolarHBondContact CA-OG1 3.47Å; L1597-T1600 CarbonylContact O-C 3.58Å; L1597-T1600 PolarHBondContact O-N 2.88Å; L1597-T1600 VanDerWaalsContact O-N 3.13Å; L1597-T1600 PolarHBondContact O-OG1 3.23Å; T1600-Q1603 PolarHBondContact O-N 2.96Å; T1600-L1604 VanDerWaalsContact O-CB 3.32Å; T1600-L1604 WeakPolarHBondContact O-CB 3.46Å; T1600-L1604 WeakPolarHBondContact O-CG 3.32Å; T1600-L1604 PolarHBondContact O-N 2.75Å |
| 1601 | T | 66.3 | Low | 68.7 | Low | 74 Ų | 74 | 104.4 Ų | 104.4 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 174.4 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | L1597 H1598 L1604 K1605 | L1597-T1601 WeakPolarHBondContact O-CB 3.22Å; L1597-T1601 PolarHBondContact O-N 3.46Å; L1597-T1601 PolarHBondContact O-OG1 3.45Å; H1598-T1601 PolarHBondContact O-N 2.77Å; T1601-L1604 PolarHBondContact O-N 2.88Å; T1601-K1605 VanDerWaalsContact O-CB 3.26Å; T1601-K1605 WeakPolarHBondContact O-CB 3.45Å; T1601-K1605 PolarHBondContact O-N 3.31Å |
| 1602 | V | 77.3 | Confident | 68.5 | Low | 65 Ų | 65 | 103.3 Ų | 103.3 | 39% | 0.394 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 175.1 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | H1598 S1599 K1606 | H1598-V1602 WeakPolarHBondContact O-CB 3.25Å; H1598-V1602 VanDerWaalsContact O-CG2 3.32Å; H1598-V1602 WeakPolarHBondContact O-CG2 3.38Å; H1598-V1602 PolarHBondContact O-N 3.46Å; S1599-V1602 PolarHBondContact O-N 2.96Å; V1602-K1606 PolarHBondContact O-N 2.93Å |
| 1603 | Q | 70.9 | Confident | 68.4 | Low | 130 Ų | 130 | 98.8 Ų | 98.8 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -45 | 173.2 | -73.4 | -168.9 | 18.5 | 0 | 0 | 111.8 | S1599 T1600 K1605 K1606 L1607 | S1599-Q1603 WeakPolarHBondContact O-CG 3.46Å; S1599-Q1603 PolarHBondContact O-N 3.4Å; T1600-Q1603 PolarHBondContact O-N 2.96Å; Q1603-K1605 PolarHBondContact O-N 2.86Å; Q1603-K1606 PolarHBondContact O-N 3.39Å; Q1603-L1607 WeakPolarHBondContact O-CB 3.44Å; Q1603-L1607 PolarHBondContact O-N 3.48Å |
| 1604 | L | 62.9 | Low | 68.7 | Low | 104 Ų | 104 | 98 Ų | 98 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 172.5 | -83.1 | 161.4 | 0 | 0 | 0 | 111.4 | T1600 T1601 K1606 L1607 I1608 | T1600-L1604 VanDerWaalsContact O-CB 3.32Å; T1600-L1604 WeakPolarHBondContact O-CB 3.46Å; T1600-L1604 WeakPolarHBondContact O-CG 3.32Å; T1600-L1604 PolarHBondContact O-N 2.75Å; T1601-L1604 PolarHBondContact O-N 2.88Å; L1604-K1606 VanDerWaalsContact C-N 3.33Å; L1604-K1606 PolarHBondContact O-N 2.96Å; L1604-L1607 PolarHBondContact O-N 2.94Å; L1604-L1607 VanDerWaalsContact O-N 3.11Å; L1604-I1608 WeakPolarHBondContact O-CB 3.29Å; L1604-I1608 VanDerWaalsContact O-CG1 3.24Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.42Å; L1604-I1608 PolarHBondContact O-N 3.43Å |
| 1605 | K | 68.7 | Low | 68.2 | Low | 150 Ų | 150 | 99.4 Ų | 99.4 | 65% | 0.652 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 177.5 | -151.7 | 172.3 | -170.2 | -179.6 | 0 | 111.2 | T1601 Q1603 T1609 | T1601-K1605 VanDerWaalsContact O-CB 3.26Å; T1601-K1605 WeakPolarHBondContact O-CB 3.45Å; T1601-K1605 PolarHBondContact O-N 3.31Å; Q1603-K1605 PolarHBondContact O-N 2.86Å; K1605-T1609 WeakPolarHBondContact O-CB 3.49Å; K1605-T1609 PolarHBondContact O-N 3.34Å; K1605-T1609 PolarHBondContact O-OG1 2.85Å |
| 1606 | K | 76.6 | Confident | 67.6 | Low | 153 Ų | 153 | 100.3 Ų | 100.3 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 171.5 | -80.2 | -175.2 | 175.4 | -177.6 | 0 | 113.1 | V1602 Q1603 L1604 T1609 L1610 | V1602-K1606 PolarHBondContact O-N 2.93Å; Q1603-K1606 PolarHBondContact O-N 3.39Å; L1604-K1606 VanDerWaalsContact C-N 3.33Å; L1604-K1606 PolarHBondContact O-N 2.96Å; K1606-T1609 PolarHBondContact O-N 2.93Å; K1606-L1610 WeakPolarHBondContact O-CB 3.5Å; K1606-L1610 PolarHBondContact O-N 3.44Å |
| 1607 | L | 72.4 | Confident | 67.6 | Low | 102 Ų | 102 | 97.2 Ų | 97.2 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.2 | -38.9 | -179 | -138.8 | 148.8 | 0 | 0 | 0 | 111.3 | Q1603 L1604 L1610 N1611 | Q1603-L1607 WeakPolarHBondContact O-CB 3.44Å; Q1603-L1607 PolarHBondContact O-N 3.48Å; L1604-L1607 PolarHBondContact O-N 2.94Å; L1604-L1607 VanDerWaalsContact O-N 3.11Å; L1607-L1610 PolarHBondContact O-N 3.05Å; L1607-N1611 WeakPolarHBondContact O-CB 3.21Å; L1607-N1611 VanDerWaalsContact O-CG 3.28Å; L1607-N1611 PolarHBondContact O-N 3.24Å |
| 1608 | I | 63.4 | Low | 66.8 | Low | 95 Ų | 95 | 97 Ų | 97 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 170 | -67.7 | 163.2 | 0 | 0 | 0 | 110.4 | L1604 L1610 N1611 L1612 | L1604-I1608 WeakPolarHBondContact O-CB 3.29Å; L1604-I1608 VanDerWaalsContact O-CG1 3.24Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.42Å; L1604-I1608 PolarHBondContact O-N 3.43Å; I1608-L1610 VanDerWaalsContact C-N 3.32Å; I1608-L1610 PolarHBondContact O-N 2.86Å; I1608-N1611 PolarHBondContact O-N 2.87Å; I1608-L1612 HydrophobicContact CG2-CD1 3.81Å; I1608-L1612 HydrophobicContact CG2-CG 4.32Å; I1608-L1612 WeakPolarHBondContact O-CB 3.27Å; I1608-L1612 VanDerWaalsContact O-CG 3.32Å; I1608-L1612 WeakPolarHBondContact O-CG 3.38Å; I1608-L1612 PolarHBondContact O-N 3.33Å |
| 1609 | T | 68.9 | Low | 65.8 | Low | 86 Ų | 86 | 95.7 Ų | 95.7 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 177.4 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | K1605 K1606 S1613 | K1605-T1609 WeakPolarHBondContact O-CB 3.49Å; K1605-T1609 PolarHBondContact O-N 3.34Å; K1605-T1609 PolarHBondContact O-OG1 2.85Å; K1606-T1609 PolarHBondContact O-N 2.93Å; T1609-S1613 WeakPolarHBondContact O-CB 3.47Å; T1609-S1613 PolarHBondContact O-N 3Å; T1609-S1613 PolarHBondContact O-OG 3.35Å |
| 1610 | L | 75.4 | Confident | 65.1 | Low | 103 Ų | 103 | 97.7 Ų | 97.7 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.3 | -161 | 85.6 | 0 | 0 | 0 | 111.5 | K1606 L1607 I1608 S1613 N1614 | K1606-L1610 WeakPolarHBondContact O-CB 3.5Å; K1606-L1610 PolarHBondContact O-N 3.44Å; L1607-L1610 PolarHBondContact O-N 3.05Å; I1608-L1610 VanDerWaalsContact C-N 3.32Å; I1608-L1610 PolarHBondContact O-N 2.86Å; L1610-S1613 PolarHBondContact O-N 3.16Å; L1610-S1613 PolarHBondContact O-OG 2.88Å; L1610-N1614 PolarHBondContact O-N 3.1Å; L1610-N1614 PolarHBondContact O-ND2 3.14Å |
| 1611 | N | 63.7 | Low | 64.7 | Low | 82 Ų | 82 | 98.4 Ų | 98.4 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 176.9 | -75.2 | -3.3 | 0 | 0 | 0 | 111.4 | L1607 I1608 S1613 N1614 E1615 | L1607-N1611 WeakPolarHBondContact O-CB 3.21Å; L1607-N1611 VanDerWaalsContact O-CG 3.28Å; L1607-N1611 PolarHBondContact O-N 3.24Å; I1608-N1611 PolarHBondContact O-N 2.87Å; N1611-S1613 VanDerWaalsContact C-N 3.33Å; N1611-S1613 PolarHBondContact O-N 3.47Å; N1611-N1614 CarbonylContact O-C 3.55Å; N1611-N1614 WeakPolarHBondContact O-CB 3.41Å; N1611-N1614 PolarHBondContact O-N 3.48Å; N1611-E1615 PolarHBondContact O-N 3.11Å |
| 1612 | L | 58.8 | Low | 63.5 | Low | 88 Ų | 88 | 100 Ų | 100 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 173.7 | -71.5 | 169.6 | 0 | 0 | 0 | 111.3 | I1608 N1614 E1615 D1616 | I1608-L1612 HydrophobicContact CG2-CD1 3.81Å; I1608-L1612 HydrophobicContact CG2-CG 4.32Å; I1608-L1612 WeakPolarHBondContact O-CB 3.27Å; I1608-L1612 VanDerWaalsContact O-CG 3.32Å; I1608-L1612 WeakPolarHBondContact O-CG 3.38Å; I1608-L1612 PolarHBondContact O-N 3.33Å; L1612-N1614 VanDerWaalsContact C-N 3.27Å; L1612-N1614 PolarHBondContact O-N 2.94Å; L1612-E1615 PolarHBondContact O-N 3.4Å; L1612-E1615 VanDerWaalsContact O-N 3.17Å; L1612-D1616 WeakPolarHBondContact O-CB 3.22Å; L1612-D1616 PolarHBondContact O-N 3.48Å |
| 1613 | S | 68.4 | Low | 62.1 | Low | 57 Ų | 57 | 100.7 Ų | 100.7 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -27.4 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | T1609 L1610 N1611 S1617 | T1609-S1613 WeakPolarHBondContact O-CB 3.47Å; T1609-S1613 PolarHBondContact O-N 3Å; T1609-S1613 PolarHBondContact O-OG 3.35Å; L1610-S1613 PolarHBondContact O-N 3.16Å; L1610-S1613 PolarHBondContact O-OG 2.88Å; N1611-S1613 VanDerWaalsContact C-N 3.33Å; N1611-S1613 PolarHBondContact O-N 3.47Å; S1613-S1617 VanDerWaalsContact O-CB 3.31Å; S1613-S1617 WeakPolarHBondContact O-CB 3.22Å; S1613-S1617 PolarHBondContact O-N 3.19Å; S1613-S1617 VanDerWaalsContact O-N 3.13Å |
| 1614 | N | 66.4 | Low | 61 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.2 | -33.2 | 173.4 | -72.9 | -30.9 | 0 | 0 | 0 | 111.8 | L1610 N1611 L1612 L1618 | L1610-N1614 PolarHBondContact O-N 3.1Å; L1610-N1614 PolarHBondContact O-ND2 3.14Å; N1611-N1614 CarbonylContact O-C 3.55Å; N1611-N1614 WeakPolarHBondContact O-CB 3.41Å; N1611-N1614 PolarHBondContact O-N 3.48Å; L1612-N1614 VanDerWaalsContact C-N 3.27Å; L1612-N1614 PolarHBondContact O-N 2.94Å; N1614-L1618 WeakPolarHBondContact O-CB 3.35Å; N1614-L1618 PolarHBondContact O-N 3.26Å |
| 1615 | E | 54.8 | Low | 60.2 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -46 | 172.2 | -76.1 | -175.1 | 147 | 0 | 0 | 110.9 | N1611 L1612 S1617 L1618 L1619 | N1611-E1615 PolarHBondContact O-N 3.11Å; L1612-E1615 PolarHBondContact O-N 3.4Å; L1612-E1615 VanDerWaalsContact O-N 3.17Å; E1615-S1617 VanDerWaalsContact C-N 3.31Å; E1615-S1617 PolarHBondContact O-N 2.57Å; E1615-L1618 CarbonylContact O-C 3.58Å; E1615-L1618 WeakPolarHBondContact O-CA 3.46Å; E1615-L1618 WeakPolarHBondContact O-CB 3.31Å; E1615-L1618 PolarHBondContact O-N 2.83Å; E1615-L1619 WeakPolarHBondContact O-CB 3.33Å; E1615-L1619 PolarHBondContact O-N 2.77Å |
| 1616 | D | 58.5 | Low | 58.8 | Low | 102 Ų | 102 | 100.2 Ų | 100.2 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 172 | -73.1 | -29.8 | 0 | 0 | 0 | 111.1 | L1612 L1618 L1619 D1620 | L1612-D1616 WeakPolarHBondContact O-CB 3.22Å; L1612-D1616 PolarHBondContact O-N 3.48Å; D1616-L1618 VanDerWaalsContact C-N 3.33Å; D1616-L1618 PolarHBondContact O-N 3.43Å; D1616-L1619 WeakPolarHBondContact O-CB 3.43Å; D1616-L1619 PolarHBondContact O-N 3.41Å; D1616-D1620 PolarHBondContact O-N 3.45Å |
| 1617 | S | 66.9 | Low | 57.1 | Low | 70 Ų | 70 | 100.5 Ų | 100.5 | 49% | 0.49 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.2 | -27.2 | 176 | -170.2 | 0 | 0 | 0 | 0 | 113.2 | S1613 E1615 V1621 | S1613-S1617 VanDerWaalsContact O-CB 3.31Å; S1613-S1617 WeakPolarHBondContact O-CB 3.22Å; S1613-S1617 PolarHBondContact O-N 3.19Å; S1613-S1617 VanDerWaalsContact O-N 3.13Å; E1615-S1617 VanDerWaalsContact C-N 3.31Å; E1615-S1617 PolarHBondContact O-N 2.57Å; S1617-V1621 VanDerWaalsContact O-CG2 3.29Å; S1617-V1621 WeakPolarHBondContact O-CG2 3.3Å; S1617-V1621 PolarHBondContact O-N 2.98Å |
| 1618 | L | 46.6 | Very low | 55.3 | Low | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -75.5 | -34.8 | 169.4 | -91.5 | 162.5 | 0 | 0 | 0 | 111.4 | N1614 E1615 D1616 V1621 L1622 | N1614-L1618 WeakPolarHBondContact O-CB 3.35Å; N1614-L1618 PolarHBondContact O-N 3.26Å; E1615-L1618 CarbonylContact O-C 3.58Å; E1615-L1618 WeakPolarHBondContact O-CA 3.46Å; E1615-L1618 WeakPolarHBondContact O-CB 3.31Å; E1615-L1618 PolarHBondContact O-N 2.83Å; D1616-L1618 VanDerWaalsContact C-N 3.33Å; D1616-L1618 PolarHBondContact O-N 3.43Å; L1618-V1621 PolarHBondContact O-N 2.86Å; L1618-L1622 WeakPolarHBondContact O-CB 3.46Å; L1618-L1622 VanDerWaalsContact O-CG 3.26Å; L1618-L1622 WeakPolarHBondContact O-CG 3.49Å; L1618-L1622 PolarHBondContact O-N 3.2Å |
| 1619 | L | 51.6 | Low | 53.7 | Low | 98 Ų | 98 | 103 Ų | 103 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.3 | -39.6 | 176.1 | -144.5 | 73.6 | 0 | 0 | 0 | 110.6 | E1615 D1616 L1622 N1623 | E1615-L1619 WeakPolarHBondContact O-CB 3.33Å; E1615-L1619 PolarHBondContact O-N 2.77Å; D1616-L1619 WeakPolarHBondContact O-CB 3.43Å; D1616-L1619 PolarHBondContact O-N 3.41Å; L1619-L1622 PolarHBondContact O-N 3.43Å; L1619-N1623 VanDerWaalsContact O-CB 3.23Å; L1619-N1623 WeakPolarHBondContact O-CB 3.35Å; L1619-N1623 PolarHBondContact O-N 3.32Å; L1619-N1623 PolarHBondContact O-ND2 2.86Å; L1619-N1623 VanDerWaalsContact O-ND2 3.16Å |
| 1620 | D | 60.2 | Low | 51.7 | Low | 103 Ų | 103 | 104 Ų | 104 | 55% | 0.551 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.6 | -39.4 | 169.5 | -97 | -8 | 0 | 0 | 0 | 111.9 | D1616 N1624 | D1616-D1620 PolarHBondContact O-N 3.45Å; D1620-N1624 WeakPolarHBondContact O-CB 3.15Å; D1620-N1624 PolarHBondContact O-N 2.93Å; D1620-N1624 VanDerWaalsContact O-N 3.1Å; D1620-N1624 PolarHBondContact O-ND2 2.9Å |
| 1621 | V | 59.2 | Low | 49.5 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.9 | -37.8 | 174.9 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | S1617 L1618 V1625 | S1617-V1621 VanDerWaalsContact O-CG2 3.29Å; S1617-V1621 WeakPolarHBondContact O-CG2 3.3Å; S1617-V1621 PolarHBondContact O-N 2.98Å; L1618-V1621 PolarHBondContact O-N 2.86Å; V1621-V1625 WeakPolarHBondContact O-CG2 3.42Å; V1621-V1625 PolarHBondContact O-N 2.94Å |
| 1622 | L | 41.5 | Very low | 47.6 | Very low | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.5 | -43.1 | 177.5 | -72 | 165.6 | 0 | 0 | 0 | 112.2 | L1618 L1619 N1624 V1625 E1626 | L1618-L1622 WeakPolarHBondContact O-CB 3.46Å; L1618-L1622 VanDerWaalsContact O-CG 3.26Å; L1618-L1622 WeakPolarHBondContact O-CG 3.49Å; L1618-L1622 PolarHBondContact O-N 3.2Å; L1619-L1622 PolarHBondContact O-N 3.43Å; L1622-N1624 VanDerWaalsContact C-N 3.26Å; L1622-N1624 PolarHBondContact O-N 2.79Å; L1622-V1625 WeakPolarHBondContact O-CB 3.33Å; L1622-V1625 PolarHBondContact O-N 3.17Å; L1622-E1626 PolarHBondContact O-N 3.27Å |
| 1623 | N | 47.5 | Very low | 46.1 | Very low | 79 Ų | 79 | 110.9 Ų | 110.9 | 42% | 0.422 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.5 | -32.3 | 174.6 | -74.9 | -30 | 0 | 0 | 0 | 112.3 | L1619 V1625 | L1619-N1623 VanDerWaalsContact O-CB 3.23Å; L1619-N1623 WeakPolarHBondContact O-CB 3.35Å; L1619-N1623 PolarHBondContact O-N 3.32Å; L1619-N1623 PolarHBondContact O-ND2 2.86Å; L1619-N1623 VanDerWaalsContact O-ND2 3.16Å; N1623-V1625 VanDerWaalsContact C-N 3.32Å |
| 1624 | N | 48.4 | Very low | 44 | Very low | 109 Ų | 109 | 113 Ų | 113 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.6 | -18.1 | 173 | -81.9 | -67 | 0 | 0 | 0 | 113.7 | D1620 L1622 | D1620-N1624 WeakPolarHBondContact O-CB 3.15Å; D1620-N1624 PolarHBondContact O-N 2.93Å; D1620-N1624 VanDerWaalsContact O-N 3.1Å; D1620-N1624 PolarHBondContact O-ND2 2.9Å; L1622-N1624 VanDerWaalsContact C-N 3.26Å; L1622-N1624 PolarHBondContact O-N 2.79Å |
| 1625 | V | 45.3 | Very low | 42.2 | Very low | 102 Ų | 102 | 113.6 Ų | 113.6 | 62% | 0.618 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.5 | -31.3 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | V1621 L1622 N1623 Q1627 | V1621-V1625 WeakPolarHBondContact O-CG2 3.42Å; V1621-V1625 PolarHBondContact O-N 2.94Å; L1622-V1625 WeakPolarHBondContact O-CB 3.33Å; L1622-V1625 PolarHBondContact O-N 3.17Å; N1623-V1625 VanDerWaalsContact C-N 3.32Å; V1625-Q1627 VanDerWaalsContact C-N 3.34Å; V1625-Q1627 PolarHBondContact O-N 2.79Å |
| 1626 | E | 40.5 | Very low | 41 | Very low | 164 Ų | 164 | 115.4 Ų | 115.4 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.1 | -21.1 | 178.8 | -85.8 | -170 | 143.1 | 0 | 0 | 114.9 | L1622 | L1622-E1626 PolarHBondContact O-N 3.27Å |
| 1627 | Q | 40.2 | Very low | 39.4 | Very low | 159 Ų | 159 | 115.3 Ų | 115.3 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -3.1 | -177.6 | -64.3 | -165.1 | 5.6 | 0 | 0 | 115.3 | V1625 | V1625-Q1627 VanDerWaalsContact C-N 3.34Å; V1625-Q1627 PolarHBondContact O-N 2.79Å |
| 1628 | H | 34.7 | Very low | 37.6 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -134.4 | 62.6 | -179.6 | -72.9 | -52 | 0 | 0 | 0 | 112.9 | ||
| 1629 | G | 30.3 | Very low | 36.7 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | -143.8 | 35.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1630 | S | 26.5 | Very low | 35.7 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -70.8 | 168.8 | 164 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1631 | L | 28.9 | Very low | 34.2 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | 102.1 | 100.5 | 170.4 | -54.1 | 171.4 | 0 | 0 | 0 | 117.3 | ||||
| 1632 | S | 24.7 | Very low | 32.8 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | -33.4 | 128.8 | 153 | -40.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1633 | L | 27 | Very low | 32.4 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -136.5 | 55.3 | 173.9 | -104.6 | 155.6 | 0 | 0 | 0 | 112.7 | S1635 | L1633-S1635 PolarHBondContact O-N 3.44Š| ||
| 1634 | S | 25.5 | Very low | 31.7 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -65.4 | 119.7 | 146.1 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1635 | S | 26.7 | Very low | 30.9 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 59.3 | 120.9 | 175 | 42.5 | 0 | 0 | 0 | 0 | 117.5 | L1633 | L1633-S1635 PolarHBondContact O-N 3.44Š| ||
| 1636 | I | 30.4 | Very low | 30.2 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | -168.4 | 142.3 | 118.8 | -95.7 | 151.7 | 0 | 0 | 0 | 110 | |||||
| 1637 | S | 25.8 | Very low | 29.7 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -92.7 | 151.7 | -179.4 | -64 | 0 | 0 | 0 | 0 | 112 | ||||
| 1638 | Y | 27.4 | Very low | 29 | Very low | 223 Ų | 223 | 133.2 Ų | 133.2 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | trans | 65.8 | 135.3 | 149.2 | -96.5 | -103.6 | 0 | 0 | 0 | 120.3 | ||||
| 1639 | S | 29.5 | Very low | 28.8 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | 111.2 | 89.9 | 145.3 | -43.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1640 | Q | 29.8 | Very low | 28.7 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | 65.7 | 114.4 | 108.9 | -149.3 | 134.6 | 2.2 | 0 | 0 | 122.2 | |||||
| 1641 | S | 29 | Very low | 28.8 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 65.4 | 116.2 | 142.3 | 67 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1642 | L | 28.8 | Very low | 28.8 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | -173.1 | 122.8 | 109.8 | -126 | 51.5 | 0 | 0 | 0 | 106.7 | |||||
| 1643 | V | 34.3 | Very low | 29.1 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | 59.6 | 121.2 | 64.6 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1644 | D | 31.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | cis | -157.6 | 152.9 | 12 | -127.5 | -21 | 0 | 0 | 0 | 109.3 | ||||
| 1645 | N | 32.4 | Very low | 29.5 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | trans | -169.8 | 120.5 | 131.7 | -102.2 | -31.9 | 0 | 0 | 0 | 112.1 | ||||
| 1646 | Q | 30.2 | Very low | 29.7 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 54% | 0.537 | 75% | 0.745 | S | S | . | * | trans | -92.9 | 138 | -169.1 | -57.5 | 166.3 | 23.5 | 0 | 0 | 111.8 | K1648 | Q1646-K1648 VanDerWaalsContact OE1-CE 3.26Š| ||
| 1647 | V | 29.8 | Very low | 29.9 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -129.9 | 127.4 | 133.5 | -178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1648 | K | 26.6 | Very low | 30.4 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | -90.7 | 174.7 | -173.5 | -72.5 | 164.2 | 171.9 | 143.9 | 0 | 111.8 | Q1646 | Q1646-K1648 VanDerWaalsContact OE1-CE 3.26Š| ||
| 1649 | T | 30.1 | Very low | 30.9 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 101.2 | 132.2 | 158.6 | 70.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1650 | S | 28.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | 161.2 | 97 | -27.3 | 45 | 0 | 0 | 0 | 0 | 107 | ||||
| 1651 | H | 29 | Very low | 32.2 | Very low | 181 Ų | 181 | 130 Ų | 130 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | 171.7 | 118.4 | 160.1 | -110 | -79.4 | 0 | 0 | 0 | 105.1 | ||||
| 1652 | V | 29.2 | Very low | 33.1 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | cis | 65 | 107.5 | 39.2 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1653 | D | 29.8 | Very low | 34.2 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | trans | 57.4 | 93.1 | 163.8 | -53.3 | -19.2 | 0 | 0 | 0 | 117.8 | ||||
| 1654 | N | 30.3 | Very low | 34.9 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | -179.6 | 143.3 | 125.3 | -98.1 | -47.5 | 0 | 0 | 0 | 113.3 | |||||
| 1655 | I | 30.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | trans | 51.7 | 119 | 141.2 | -52 | 160.7 | 0 | 0 | 0 | 117.2 | ||||
| 1656 | G | 31.1 | Very low | 37.3 | Very low | 58 Ų | 58 | 119.1 Ų | 119.1 | 60% | 0.598 | 65% | 0.653 | S | S | * | * | cis | 167.8 | 153.6 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I1658 | G1656-I1658 PolarHBondContact O-N 2.86Å; G1656-I1658 VanDerWaalsContact O-N 3.09Å | ||
| 1657 | L | 34.6 | Very low | 38.5 | Very low | 168 Ų | 168 | 117.8 Ų | 117.8 | 88% | 0.88 | 65% | 0.648 | S | S | * | * | trans | 26.1 | 68.4 | 167 | -68.2 | 164.6 | 0 | 0 | 0 | 116.3 | ||||
| 1658 | I | 36.6 | Very low | 40.2 | Very low | 156 Ų | 156 | 114.8 Ų | 114.8 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | trans | -72 | 134.2 | 157.5 | -63.1 | 172.6 | 0 | 0 | 0 | 106.7 | G1656 Q1660 | G1656-I1658 PolarHBondContact O-N 2.86Å; G1656-I1658 VanDerWaalsContact O-N 3.09Å; I1658-Q1660 PolarHBondContact O-N 2.88Å | ||
| 1659 | D | 38.2 | Very low | 42 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 57% | 0.572 | 62% | 0.615 | S | S | * | * | trans | -62.2 | 96.4 | -161.8 | -165.9 | -5.1 | 0 | 0 | 0 | 113.7 | S1661 G1662 | D1659-S1661 PolarHBondContact O-N 3.42Å; D1659-S1661 WeakPolarHBondContact OD1-CA 2.79Å; D1659-S1661 WeakPolarHBondContact OD1-CB 3.41Å; D1659-S1661 PolarHBondContact OD1-N 2.86Å; D1659-G1662 PolarHBondContact OD1-N 3.08Å | ||
| 1660 | Q | 43 | Very low | 43.4 | Very low | 158 Ų | 158 | 109.8 Ų | 109.8 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.2 | -12.7 | 173.9 | -73.4 | -174.1 | -10.1 | 0 | 0 | 112.6 | I1658 M1664 | I1658-Q1660 PolarHBondContact O-N 2.88Å; Q1660-M1664 WeakPolarHBondContact O-CB 3.32Å; Q1660-M1664 PolarHBondContact O-N 3Å |
| 1661 | S | 43 | Very low | 45 | Very low | 57 Ų | 57 | 107.4 Ų | 107.4 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.5 | -52.9 | 169.4 | 131.2 | 0 | 0 | 0 | 0 | 108.9 | D1659 I1663 M1664 D1665 | D1659-S1661 PolarHBondContact O-N 3.42Å; D1659-S1661 WeakPolarHBondContact OD1-CA 2.79Å; D1659-S1661 WeakPolarHBondContact OD1-CB 3.41Å; D1659-S1661 PolarHBondContact OD1-N 2.86Å; S1661-I1663 VanDerWaalsContact C-N 3.32Å; S1661-I1663 PolarHBondContact O-N 3.4Å; S1661-I1663 VanDerWaalsContact O-N 3.13Å; S1661-M1664 CarbonylContact O-C 3.49Å; S1661-M1664 WeakPolarHBondContact O-CA 3.42Å; S1661-M1664 VanDerWaalsContact O-CB 3.29Å; S1661-M1664 WeakPolarHBondContact O-CB 3.32Å; S1661-M1664 PolarHBondContact O-N 2.91Å; S1661-D1665 WeakPolarHBondContact CB-OD2 3.4Å; S1661-D1665 WeakPolarHBondContact O-CB 3.27Å; S1661-D1665 VanDerWaalsContact O-CG 3.26Å; S1661-D1665 PolarHBondContact O-N 3.44Å; S1661-D1665 VanDerWaalsContact O-OD2 3.04Å; S1661-D1665 PolarHBondContact OG-OD2 2.92Å |
| 1662 | G | 48.8 | Very low | 46.7 | Very low | 24 Ų | 24 | 102.4 Ų | 102.4 | 25% | 0.247 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -51.6 | -42.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | D1659 N1666 | D1659-G1662 PolarHBondContact OD1-N 3.08Å; G1662-N1666 VanDerWaalsContact O-CB 3.28Å; G1662-N1666 WeakPolarHBondContact O-CB 3.38Å; G1662-N1666 PolarHBondContact O-N 3.48Å; G1662-N1666 PolarHBondContact O-ND2 3.41Å |
| 1663 | I | 50.3 | Low | 48.1 | Very low | 115 Ų | 115 | 98.9 Ų | 98.9 | 59% | 0.59 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 175.9 | -61.6 | 175.4 | 0 | 0 | 0 | 111.5 | S1661 M1667 | S1661-I1663 VanDerWaalsContact C-N 3.32Å; S1661-I1663 PolarHBondContact O-N 3.4Å; S1661-I1663 VanDerWaalsContact O-N 3.13Å; I1663-M1667 WeakPolarHBondContact O-CG 3.34Å; I1663-M1667 PolarHBondContact O-N 3.46Å |
| 1664 | M | 50 | Low | 49.6 | Very low | 91 Ų | 91 | 92.9 Ų | 92.9 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 175 | -105 | 171.3 | 43.8 | 0 | 0 | 113.2 | Q1660 S1661 M1667 K1668 R1833 | Q1660-M1664 WeakPolarHBondContact O-CB 3.32Å; Q1660-M1664 PolarHBondContact O-N 3Å; S1661-M1664 CarbonylContact O-C 3.49Å; S1661-M1664 WeakPolarHBondContact O-CA 3.42Å; S1661-M1664 VanDerWaalsContact O-CB 3.29Å; S1661-M1664 WeakPolarHBondContact O-CB 3.32Å; S1661-M1664 PolarHBondContact O-N 2.91Å; M1664-M1667 CarbonylContact O-C 3.48Å; M1664-M1667 PolarHBondContact O-N 2.84Å; M1664-K1668 WeakPolarHBondContact O-CB 3.33Å; M1664-K1668 PolarHBondContact O-N 3.23Å; M1664-R1833 PolarHBondContact SD-NH1 3.31Å |
| 1665 | D | 58.7 | Low | 51.1 | Low | 71 Ų | 71 | 90.6 Ų | 90.6 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.7 | -37.1 | -177.8 | -65.3 | -40.2 | 0 | 0 | 0 | 109.8 | S1661 K1668 T1669 | S1661-D1665 WeakPolarHBondContact CB-OD2 3.4Å; S1661-D1665 WeakPolarHBondContact O-CB 3.27Å; S1661-D1665 VanDerWaalsContact O-CG 3.26Å; S1661-D1665 PolarHBondContact O-N 3.44Å; S1661-D1665 VanDerWaalsContact O-OD2 3.04Å; S1661-D1665 PolarHBondContact OG-OD2 2.92Å; D1665-K1668 PolarHBondContact O-N 2.91Å; D1665-T1669 WeakPolarHBondContact O-CB 3.31Å; D1665-T1669 PolarHBondContact O-N 2.65Å; D1665-T1669 PolarHBondContact O-OG1 2.87Å |
| 1666 | N | 55.6 | Low | 52.8 | Low | 114 Ų | 114 | 88 Ų | 88 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 166.4 | -72.1 | -11.6 | 0 | 0 | 0 | 112 | G1662 T1669 F1670 | G1662-N1666 VanDerWaalsContact O-CB 3.28Å; G1662-N1666 WeakPolarHBondContact O-CB 3.38Å; G1662-N1666 PolarHBondContact O-N 3.48Å; G1662-N1666 PolarHBondContact O-ND2 3.41Å; N1666-T1669 WeakPolarHBondContact CA-OG1 3.36Å; N1666-T1669 PolarHBondContact O-OG1 3.08Å; N1666-T1669 VanDerWaalsContact O-OG1 3.06Å; N1666-F1670 VanDerWaalsContact O-CB 3.25Å; N1666-F1670 WeakPolarHBondContact O-CB 3.33Å; N1666-F1670 PolarHBondContact O-N 2.93Å |
| 1667 | M | 54.8 | Low | 54.2 | Low | 87 Ų | 87 | 85.4 Ų | 85.4 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 172.9 | -73 | -170.8 | 80 | 0 | 0 | 112.6 | I1663 M1664 F1670 I1671 I1829 | I1663-M1667 WeakPolarHBondContact O-CG 3.34Å; I1663-M1667 PolarHBondContact O-N 3.46Å; M1664-M1667 CarbonylContact O-C 3.48Å; M1664-M1667 PolarHBondContact O-N 2.84Å; M1667-F1670 PolarHBondContact O-N 3.39Å; M1667-I1671 WeakPolarHBondContact O-CB 3.39Å; M1667-I1671 WeakPolarHBondContact O-CD1 3.36Å; M1667-I1671 WeakPolarHBondContact O-CG1 3.43Å; M1667-I1671 PolarHBondContact O-N 2.87Å; M1667-I1829 HydrophobicContact CE-CD1 3.85Å |
| 1668 | K | 65 | Low | 55.5 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -48.5 | 178.3 | -161.1 | -167.6 | -168.9 | -118.7 | 0 | 110.2 | E530 M1664 D1665 F1670 I1671 E1672 | E530-K1668 IonicContact OE2-NZ 2.7Å; E530-K1668 PolarHBondContact OE2-NZ 2.75Å; M1664-K1668 WeakPolarHBondContact O-CB 3.33Å; M1664-K1668 PolarHBondContact O-N 3.23Å; D1665-K1668 PolarHBondContact O-N 2.91Å; K1668-F1670 VanDerWaalsContact C-N 3.32Å; K1668-F1670 PolarHBondContact O-N 3.07Å; K1668-I1671 CarbonylContact O-C 3.57Å; K1668-I1671 PolarHBondContact O-N 3.4Å; K1668-E1672 WeakPolarHBondContact CD-OE1 3.24Å; K1668-E1672 VanDerWaalsContact CE-OE1 3.24Å; K1668-E1672 WeakPolarHBondContact CE-OE1 3.34Å; K1668-E1672 HydrophobicContact CG-CG 4.48Å; K1668-E1672 WeakPolarHBondContact CG-OE1 3.36Å; K1668-E1672 IonicContact NZ-OE1 3.95Å; K1668-E1672 PolarHBondContact NZ-OE1 2.85Å; K1668-E1672 WeakPolarHBondContact O-CB 3.48Å; K1668-E1672 VanDerWaalsContact O-CG 3.26Å; K1668-E1672 WeakPolarHBondContact O-CG 3.18Å; K1668-E1672 PolarHBondContact O-N 3.3Å |
| 1669 | T | 64.5 | Low | 57.1 | Low | 78 Ų | 78 | 75.5 Ų | 75.5 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 175 | 44.9 | 0 | 0 | 0 | 0 | 112.7 | D1665 N1666 E1672 S1673 | D1665-T1669 WeakPolarHBondContact O-CB 3.31Å; D1665-T1669 PolarHBondContact O-N 2.65Å; D1665-T1669 PolarHBondContact O-OG1 2.87Å; N1666-T1669 WeakPolarHBondContact CA-OG1 3.36Å; N1666-T1669 PolarHBondContact O-OG1 3.08Å; N1666-T1669 VanDerWaalsContact O-OG1 3.06Å; T1669-E1672 PolarHBondContact O-N 2.91Å; T1669-S1673 WeakPolarHBondContact O-CB 3.4Å; T1669-S1673 PolarHBondContact O-N 2.75Å; T1669-S1673 PolarHBondContact O-OG 3.17Å |
| 1670 | F | 60.4 | Low | 58.3 | Low | 100 Ų | 100 | 72.6 Ų | 72.6 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 172.5 | -175.2 | -101.4 | 0 | 0 | 0 | 112.6 | N1666 M1667 K1668 S1673 L1674 L1737 | N1666-F1670 VanDerWaalsContact O-CB 3.25Å; N1666-F1670 WeakPolarHBondContact O-CB 3.33Å; N1666-F1670 PolarHBondContact O-N 2.93Å; M1667-F1670 PolarHBondContact O-N 3.39Å; K1668-F1670 VanDerWaalsContact C-N 3.32Å; K1668-F1670 PolarHBondContact O-N 3.07Å; F1670-S1673 PolarHBondContact O-OG 2.84Å; F1670-S1673 VanDerWaalsContact O-OG 3.04Å; F1670-L1674 HydrophobicContact CD1-CD1 3.69Å; F1670-L1674 HydrophobicContact CD2-CD1 4.46Å; F1670-L1674 HydrophobicContact CE1-CD1 3.31Å; F1670-L1674 HydrophobicContact CE2-CD1 4.15Å; F1670-L1674 HydrophobicContact CG-CD1 4.26Å; F1670-L1674 HydrophobicContact CZ-CD1 3.59Å; F1670-L1674 WeakPolarHBondContact O-CB 3.34Å; F1670-L1674 WeakPolarHBondContact O-CD1 3.47Å; F1670-L1674 PolarHBondContact O-N 3.42Å; F1670-L1737 HydrophobicContact CE2-CD1 4.37Å; F1670-L1737 HydrophobicContact CE2-CD2 3.66Å; F1670-L1737 HydrophobicContact CE2-CG 4.15Å; F1670-L1737 HydrophobicContact CZ-CD2 3.59Å |
| 1671 | I | 60.5 | Low | 59.3 | Low | 51 Ų | 51 | 66 Ų | 66 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 173.5 | -70.1 | 162.7 | 0 | 0 | 0 | 110.8 | M1667 K1668 H1675 L1822 T1826 | M1667-I1671 WeakPolarHBondContact O-CB 3.39Å; M1667-I1671 WeakPolarHBondContact O-CD1 3.36Å; M1667-I1671 WeakPolarHBondContact O-CG1 3.43Å; M1667-I1671 PolarHBondContact O-N 2.87Å; K1668-I1671 CarbonylContact O-C 3.57Å; K1668-I1671 PolarHBondContact O-N 3.4Å; I1671-H1675 VanDerWaalsContact O-CB 3.28Å; I1671-H1675 WeakPolarHBondContact O-CB 3.5Å; I1671-H1675 PolarHBondContact O-N 2.83Å; I1671-L1822 HydrophobicContact CG1-CD2 4.04Å; I1671-L1822 HydrophobicContact CG1-CG 4.43Å; I1671-T1826 HydrophobicContact CD1-CG2 3.99Å; I1671-T1826 WeakPolarHBondContact CD1-OG1 3.48Å |
| 1672 | E | 65.2 | Low | 60.5 | Low | 76 Ų | 76 | 67.3 Ų | 67.3 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67 | -40 | 176.4 | -75.1 | 173.7 | -173.7 | 0 | 0 | 111.9 | K1668 T1669 H1675 Y1676 | K1668-E1672 WeakPolarHBondContact CD-OE1 3.24Å; K1668-E1672 VanDerWaalsContact CE-OE1 3.24Å; K1668-E1672 WeakPolarHBondContact CE-OE1 3.34Å; K1668-E1672 HydrophobicContact CG-CG 4.48Å; K1668-E1672 WeakPolarHBondContact CG-OE1 3.36Å; K1668-E1672 IonicContact NZ-OE1 3.95Å; K1668-E1672 PolarHBondContact NZ-OE1 2.85Å; K1668-E1672 WeakPolarHBondContact O-CB 3.48Å; K1668-E1672 VanDerWaalsContact O-CG 3.26Å; K1668-E1672 WeakPolarHBondContact O-CG 3.18Å; K1668-E1672 PolarHBondContact O-N 3.3Å; T1669-E1672 PolarHBondContact O-N 2.91Å; E1672-H1675 PolarHBondContact O-N 3.42Å; E1672-Y1676 VanDerWaalsContact O-CB 3.25Å; E1672-Y1676 WeakPolarHBondContact O-CB 3.5Å; E1672-Y1676 PolarHBondContact O-N 3.47Å |
| 1673 | S | 59.4 | Low | 61.5 | Low | 34 Ų | 34 | 71.3 Ų | 71.3 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -42 | 175 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | T1669 F1670 Y1676 A1677 | T1669-S1673 WeakPolarHBondContact O-CB 3.4Å; T1669-S1673 PolarHBondContact O-N 2.75Å; T1669-S1673 PolarHBondContact O-OG 3.17Å; F1670-S1673 PolarHBondContact O-OG 2.84Å; F1670-S1673 VanDerWaalsContact O-OG 3.04Å; S1673-Y1676 PolarHBondContact O-N 2.93Å; S1673-A1677 VanDerWaalsContact O-CB 3.3Å; S1673-A1677 WeakPolarHBondContact O-CB 3.35Å; S1673-A1677 PolarHBondContact O-N 3.35Å |
| 1674 | L | 59.8 | Low | 62.2 | Low | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 172 | -99.1 | 139.8 | 0 | 0 | 0 | 112.7 | F1670 A1677 H1678 L1737 V1818 L1822 | F1670-L1674 HydrophobicContact CD1-CD1 3.69Å; F1670-L1674 HydrophobicContact CD2-CD1 4.46Å; F1670-L1674 HydrophobicContact CE1-CD1 3.31Å; F1670-L1674 HydrophobicContact CE2-CD1 4.15Å; F1670-L1674 HydrophobicContact CG-CD1 4.26Å; F1670-L1674 HydrophobicContact CZ-CD1 3.59Å; F1670-L1674 WeakPolarHBondContact O-CB 3.34Å; F1670-L1674 WeakPolarHBondContact O-CD1 3.47Å; F1670-L1674 PolarHBondContact O-N 3.42Å; L1674-A1677 PolarHBondContact O-N 3.22Å; L1674-H1678 WeakPolarHBondContact O-CB 3.31Å; L1674-H1678 PolarHBondContact O-N 2.83Å; L1674-L1737 HydrophobicContact CD1-CD1 4.17Å; L1674-L1737 HydrophobicContact CD1-CD2 3.58Å; L1674-L1737 HydrophobicContact CD2-CD2 4.19Å; L1674-L1737 HydrophobicContact CG-CD1 3.9Å; L1674-L1737 HydrophobicContact CG-CD2 3.88Å; L1674-V1818 HydrophobicContact CD2-CG1 4.41Å; L1674-L1822 HydrophobicContact CB-CD2 4.2Å; L1674-L1822 HydrophobicContact CD1-CD2 3.76Å; L1674-L1822 HydrophobicContact CG-CD2 4.38Å |
| 1675 | H | 63.3 | Low | 62.9 | Low | 96 Ų | 96 | 62.6 Ų | 62.6 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.7 | -169.6 | 70.6 | 0 | 0 | 0 | 111.6 | I1671 E1672 H1678 V1679 | I1671-H1675 VanDerWaalsContact O-CB 3.28Å; I1671-H1675 WeakPolarHBondContact O-CB 3.5Å; I1671-H1675 PolarHBondContact O-N 2.83Å; E1672-H1675 PolarHBondContact O-N 3.42Å; H1675-H1678 WeakPolarHBondContact O-CB 3.41Å; H1675-H1678 PolarHBondContact O-N 2.82Å; H1675-V1679 WeakPolarHBondContact O-CG2 3.36Å; H1675-V1679 PolarHBondContact O-N 3.1Å |
| 1676 | Y | 65.8 | Low | 63.4 | Low | 108 Ų | 108 | 63.2 Ų | 63.2 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 174.1 | -178.5 | -98.9 | 0 | 0 | 0 | 111.6 | E1672 S1673 R1680 | E1672-Y1676 VanDerWaalsContact O-CB 3.25Å; E1672-Y1676 WeakPolarHBondContact O-CB 3.5Å; E1672-Y1676 PolarHBondContact O-N 3.47Å; S1673-Y1676 PolarHBondContact O-N 2.93Å; Y1676-R1680 WeakPolarHBondContact O-CB 3.25Å; Y1676-R1680 PolarHBondContact O-N 2.85Å; Y1676-R1680 PolarHBondContact OH-NH1 3.03Å |
| 1677 | A | 59.8 | Low | 63.9 | Low | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S1673 L1674 R1680 L1681 L1731 | S1673-A1677 VanDerWaalsContact O-CB 3.3Å; S1673-A1677 WeakPolarHBondContact O-CB 3.35Å; S1673-A1677 PolarHBondContact O-N 3.35Å; L1674-A1677 PolarHBondContact O-N 3.22Å; A1677-R1680 PolarHBondContact O-N 3.42Å; A1677-L1681 VanDerWaalsContact O-CB 3.29Å; A1677-L1681 WeakPolarHBondContact O-CB 3.35Å; A1677-L1681 VanDerWaalsContact O-CG 3.26Å; A1677-L1681 WeakPolarHBondContact O-CG 3.26Å; A1677-L1681 PolarHBondContact O-N 3.12Å; A1677-L1731 HydrophobicContact CB-CD2 4.12Å |
| 1678 | H | 63.7 | Low | 64.4 | Low | 36 Ų | 36 | 56.1 Ų | 56.1 | 17% | 0.167 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -53.3 | 176.7 | 178.8 | -86.2 | 0 | 0 | 0 | 112.1 | L1674 H1675 R1680 L1681 H1682 D1816 T1819 | L1674-H1678 WeakPolarHBondContact O-CB 3.31Å; L1674-H1678 PolarHBondContact O-N 2.83Å; H1675-H1678 WeakPolarHBondContact O-CB 3.41Å; H1675-H1678 PolarHBondContact O-N 2.82Å; H1678-R1680 VanDerWaalsContact C-N 3.29Å; H1678-R1680 PolarHBondContact O-N 2.89Å; H1678-L1681 PolarHBondContact O-N 2.78Å; H1678-H1682 WeakPolarHBondContact O-CB 3.27Å; H1678-H1682 PolarHBondContact O-N 3.35Å; H1678-D1816 IonicContact CD2-OD1 3.99Å; H1678-D1816 IonicContact CE1-OD1 3.65Å; H1678-D1816 IonicContact NE2-OD1 3.87Å; H1678-D1816 PolarHBondContact NE2-OD1 2.95Å; H1678-T1819 HydrophobicContact CB-CG2 4.49Å; H1678-T1819 PolarHBondContact CD2-OG1 3.26Å; H1678-T1819 VanDerWaalsContact CD2-OG1 3.25Å |
| 1679 | V | 68.5 | Low | 64.5 | Low | 81 Ų | 81 | 53.5 Ų | 53.5 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 179 | 172 | 0 | 0 | 0 | 0 | 111.1 | H1675 H1682 Y1683 | H1675-V1679 WeakPolarHBondContact O-CG2 3.36Å; H1675-V1679 PolarHBondContact O-N 3.1Å; V1679-H1682 PolarHBondContact O-N 2.9Å; V1679-Y1683 PolarHBondContact O-N 3.39Å |
| 1680 | R | 64.6 | Low | 64.7 | Low | 45 Ų | 45 | 52.7 Ų | 52.7 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -39.8 | -177.5 | -166.1 | 163.9 | 166.2 | -177.4 | -17.3 | 111.9 | Y1676 A1677 H1678 Y1683 Y1684 S1730 L1731 | Y1676-R1680 WeakPolarHBondContact O-CB 3.25Å; Y1676-R1680 PolarHBondContact O-N 2.85Å; Y1676-R1680 PolarHBondContact OH-NH1 3.03Å; A1677-R1680 PolarHBondContact O-N 3.42Å; H1678-R1680 VanDerWaalsContact C-N 3.29Å; H1678-R1680 PolarHBondContact O-N 2.89Å; R1680-Y1683 PolarHBondContact O-N 3.17Å; R1680-Y1684 HydrophobicContact CG-CE2 3.69Å; R1680-Y1684 WeakPolarHBondContact CG-OH 3.38Å; R1680-Y1684 PolarHBondContact NE-OH 2.92Å; R1680-Y1684 VanDerWaalsContact O-CD2 3.23Å; R1680-Y1684 WeakPolarHBondContact O-CD2 3.33Å; R1680-Y1684 PolarHBondContact O-N 3.47Å; R1680-Y1684 VanDerWaalsContact O-N 3.15Å; R1680-S1730 PolarHBondContact NH2-OG 3.38Å; R1680-L1731 HydrophobicContact CB-CD1 4.03Å; R1680-L1731 HydrophobicContact CG-CD1 3.67Å |
| 1681 | L | 64.5 | Low | 65 | Low | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 171.2 | -74.9 | 168.3 | 0 | 0 | 0 | 112.5 | A1677 H1678 Y1683 Y1684 A1685 L1728 F1738 V1815 | A1677-L1681 VanDerWaalsContact O-CB 3.29Å; A1677-L1681 WeakPolarHBondContact O-CB 3.35Å; A1677-L1681 VanDerWaalsContact O-CG 3.26Å; A1677-L1681 WeakPolarHBondContact O-CG 3.26Å; A1677-L1681 PolarHBondContact O-N 3.12Å; H1678-L1681 PolarHBondContact O-N 2.78Å; L1681-Y1683 VanDerWaalsContact C-N 3.3Å; L1681-Y1683 PolarHBondContact O-N 2.9Å; L1681-Y1684 PolarHBondContact O-N 3.4Å; L1681-Y1684 VanDerWaalsContact O-N 3.16Å; L1681-A1685 WeakPolarHBondContact O-CB 3.48Å; L1681-A1685 PolarHBondContact O-N 2.84Å; L1681-L1728 HydrophobicContact CD2-CD2 3.95Å; L1681-F1738 HydrophobicContact CD1-CE2 4.26Å; L1681-F1738 HydrophobicContact CD1-CZ 3.9Å; L1681-V1815 HydrophobicContact CD1-CG1 4.02Å; L1681-V1815 HydrophobicContact CD1-CG2 4.12Å |
| 1682 | H | 66.8 | Low | 65.3 | Low | 83 Ų | 83 | 46 Ų | 46 | 38% | 0.384 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 176.6 | -175.4 | -83.8 | 0 | 0 | 0 | 111.8 | H1678 V1679 R1686 L1812 | H1678-H1682 WeakPolarHBondContact O-CB 3.27Å; H1678-H1682 PolarHBondContact O-N 3.35Å; V1679-H1682 PolarHBondContact O-N 2.9Å; H1682-R1686 WeakPolarHBondContact O-CB 3.39Å; H1682-R1686 PolarHBondContact O-N 3.42Å; H1682-R1686 VanDerWaalsContact O-N 3.08Å; H1682-L1812 HydrophobicContact CB-CD1 4.35Å |
| 1683 | Y | 70.9 | Confident | 65.3 | Low | 109 Ų | 109 | 45.7 Ų | 45.7 | 43% | 0.427 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 171.2 | 175.6 | -89.2 | 0 | 0 | 0 | 112.5 | V1679 R1680 L1681 R1686 K1687 | V1679-Y1683 PolarHBondContact O-N 3.39Å; R1680-Y1683 PolarHBondContact O-N 3.17Å; L1681-Y1683 VanDerWaalsContact C-N 3.3Å; L1681-Y1683 PolarHBondContact O-N 2.9Å; Y1683-R1686 PolarHBondContact O-N 3.41Å; Y1683-K1687 HydrophobicContact CD1-CD 4.48Å; Y1683-K1687 HydrophobicContact CE1-CD 3.76Å; Y1683-K1687 HydrophobicContact CE1-CG 4.4Å; Y1683-K1687 PolarHBondContact O-N 2.97Å; Y1683-K1687 WeakPolarHBondContact OH-CE 3.48Å; Y1683-K1687 PolarHBondContact OH-NZ 3.41Å |
| 1684 | Y | 64.8 | Low | 65.4 | Low | 8 Ų | 8 | 45 Ų | 45 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68 | -42.9 | 176.9 | -58.2 | -35 | 0 | 0 | 0 | 112.7 | R1680 L1681 R1686 K1687 M1688 I1724 R1727 L1728 L1731 | R1680-Y1684 HydrophobicContact CG-CE2 3.69Å; R1680-Y1684 WeakPolarHBondContact CG-OH 3.38Å; R1680-Y1684 PolarHBondContact NE-OH 2.92Å; R1680-Y1684 VanDerWaalsContact O-CD2 3.23Å; R1680-Y1684 WeakPolarHBondContact O-CD2 3.33Å; R1680-Y1684 PolarHBondContact O-N 3.47Å; R1680-Y1684 VanDerWaalsContact O-N 3.15Å; L1681-Y1684 PolarHBondContact O-N 3.4Å; L1681-Y1684 VanDerWaalsContact O-N 3.16Å; Y1684-R1686 VanDerWaalsContact C-N 3.29Å; Y1684-R1686 PolarHBondContact O-N 2.96Å; Y1684-K1687 PolarHBondContact O-N 2.94Å; Y1684-K1687 VanDerWaalsContact O-N 3.12Å; Y1684-M1688 PolarHBondContact O-N 2.86Å; Y1684-I1724 HydrophobicContact CD1-CG1 4.49Å; Y1684-R1727 HydrophobicContact CE1-CB 4Å; Y1684-R1727 HydrophobicContact CE1-CG 4.46Å; Y1684-R1727 HydrophobicContact CE2-CB 4.08Å; Y1684-R1727 WeakPolarHBondContact OH-CB 3.5Å; Y1684-L1728 HydrophobicContact CD2-CD2 4.06Å; Y1684-L1728 HydrophobicContact CD2-CG 4.45Å; Y1684-L1731 HydrophobicContact CE2-CD1 3.91Å |
| 1685 | A | 65.2 | Low | 65.6 | Low | 15 Ų | 15 | 44.9 Ų | 44.9 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1681 M1688 D1689 L1812 | L1681-A1685 WeakPolarHBondContact O-CB 3.48Å; L1681-A1685 PolarHBondContact O-N 2.84Å; A1685-M1688 PolarHBondContact O-N 3.19Å; A1685-D1689 PolarHBondContact O-N 3.31Å; A1685-L1812 HydrophobicContact CB-CD1 4.12Å; A1685-L1812 HydrophobicContact CB-CD2 4.21Å |
| 1686 | R | 68.4 | Low | 65.5 | Low | 83 Ų | 83 | 42.4 Ų | 42.4 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.7 | -170.9 | 173.5 | -177.4 | 154.8 | 0.2 | 112.6 | H1682 Y1683 Y1684 D1689 H1690 | H1682-R1686 WeakPolarHBondContact O-CB 3.39Å; H1682-R1686 PolarHBondContact O-N 3.42Å; H1682-R1686 VanDerWaalsContact O-N 3.08Å; Y1683-R1686 PolarHBondContact O-N 3.41Å; Y1684-R1686 VanDerWaalsContact C-N 3.29Å; Y1684-R1686 PolarHBondContact O-N 2.96Å; R1686-D1689 WeakPolarHBondContact O-CB 3.49Å; R1686-D1689 PolarHBondContact O-N 3.38Å; R1686-H1690 PolarHBondContact O-CD2 3.28Å; R1686-H1690 VanDerWaalsContact O-CD2 3.27Å; R1686-H1690 PolarHBondContact O-N 3.26Å; R1686-H1690 VanDerWaalsContact O-N 3.08Å |
| 1687 | K | 66.2 | Low | 65.3 | Low | 48 Ų | 48 | 41.6 Ų | 41.6 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 174.4 | -86 | -167.6 | 162.2 | -173.3 | 0 | 112.4 | Y1683 Y1684 D1689 H1690 L1691 L1720 I1724 | Y1683-K1687 HydrophobicContact CD1-CD 4.48Å; Y1683-K1687 HydrophobicContact CE1-CD 3.76Å; Y1683-K1687 HydrophobicContact CE1-CG 4.4Å; Y1683-K1687 PolarHBondContact O-N 2.97Å; Y1683-K1687 WeakPolarHBondContact OH-CE 3.48Å; Y1683-K1687 PolarHBondContact OH-NZ 3.41Å; Y1684-K1687 PolarHBondContact O-N 2.94Å; Y1684-K1687 VanDerWaalsContact O-N 3.12Å; K1687-D1689 VanDerWaalsContact C-N 3.32Å; K1687-D1689 PolarHBondContact O-N 2.86Å; K1687-H1690 WeakPolarHBondContact O-CB 3.41Å; K1687-H1690 PolarHBondContact O-N 3.29Å; K1687-H1690 VanDerWaalsContact O-N 3.13Å; K1687-L1691 PolarHBondContact O-N 3.17Å; K1687-L1720 HydrophobicContact CB-CD2 4.1Å; K1687-L1720 HydrophobicContact CD-CD1 4.04Å; K1687-L1720 HydrophobicContact CD-CD2 4.3Å; K1687-L1720 HydrophobicContact CD-CG 4.25Å; K1687-L1720 HydrophobicContact CG-CD2 4.38Å; K1687-I1724 HydrophobicContact CB-CD1 3.86Å |
| 1688 | M | 64.9 | Low | 65 | Low | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 173.7 | -73.8 | -60.6 | -78 | 0 | 0 | 111.8 | Y1684 A1685 H1690 L1691 C1692 L1721 I1724 L1753 Y1808 | Y1684-M1688 PolarHBondContact O-N 2.86Å; A1685-M1688 PolarHBondContact O-N 3.19Å; M1688-H1690 VanDerWaalsContact C-N 3.3Å; M1688-H1690 PolarHBondContact O-N 2.88Å; M1688-L1691 PolarHBondContact O-N 3.34Å; M1688-C1692 WeakPolarHBondContact O-CB 3.35Å; M1688-C1692 PolarHBondContact O-N 3.17Å; M1688-C1692 PolarHBondContact O-SG 3.36Å; M1688-L1721 HydrophobicContact CE-CD1 3.89Å; M1688-L1721 HydrophobicContact SD-CD1 3.6Å; M1688-I1724 HydrophobicContact CG-CD1 4.04Å; M1688-I1724 HydrophobicContact CG-CG2 4.43Å; M1688-I1724 HydrophobicContact SD-CD1 3.77Å; M1688-I1724 HydrophobicContact SD-CG2 4.41Å; M1688-L1753 HydrophobicContact CE-CD2 3.95Å; M1688-Y1808 HydrophobicContact CE-CD2 4.18Å; M1688-Y1808 HydrophobicContact CE-CE2 3.6Å; M1688-Y1808 HydrophobicContact CG-CD1 4.24Å; M1688-Y1808 HydrophobicContact CG-CE1 3.86Å |
| 1689 | D | 68 | Low | 64.5 | Low | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.4 | -117.4 | -5.3 | 0 | 0 | 0 | 112.4 | A1685 R1686 K1687 M1693 R1805 H1809 | A1685-D1689 PolarHBondContact O-N 3.31Å; R1686-D1689 WeakPolarHBondContact O-CB 3.49Å; R1686-D1689 PolarHBondContact O-N 3.38Å; K1687-D1689 VanDerWaalsContact C-N 3.32Å; K1687-D1689 PolarHBondContact O-N 2.86Å; D1689-M1693 VanDerWaalsContact O-CB 3.26Å; D1689-M1693 WeakPolarHBondContact O-CB 3.28Å; D1689-M1693 WeakPolarHBondContact O-CG 3.16Å; D1689-M1693 PolarHBondContact O-N 2.84Å; D1689-M1693 VanDerWaalsContact O-N 3.09Å; D1689-R1805 IonicContact OD1-CZ 3.7Å; D1689-R1805 VanDerWaalsContact OD1-CZ 3.27Å; D1689-R1805 IonicContact OD1-NE 3.97Å; D1689-R1805 PolarHBondContact OD1-NE 3.39Å; D1689-R1805 IonicContact OD1-NH2 3.42Å; D1689-R1805 PolarHBondContact OD1-NH2 2.98Å; D1689-R1805 VanDerWaalsContact OD1-NH2 3.09Å; D1689-R1805 IonicContact OD2-NH2 3.65Å; D1689-H1809 IonicContact OD1-CE1 3.69Å; D1689-H1809 IonicContact OD1-NE2 3.6Å; D1689-H1809 IonicContact OD2-CE1 2.71Å; D1689-H1809 PolarHBondContact OD2-CE1 2.7Å; D1689-H1809 IonicContact OD2-NE2 3.74Å |
| 1690 | H | 68 | Low | 63.5 | Low | 61 Ų | 61 | 41.1 Ų | 41.1 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -44 | 173.9 | -88.5 | -92.1 | 0 | 0 | 0 | 112.3 | K140 R1686 K1687 M1688 M1693 S1694 | K140-H1690 WeakPolarHBondContact CD-NE2 3.46Å; K140-H1690 PolarHBondContact NZ-CD2 2.98Å; K140-H1690 PolarHBondContact NZ-CE1 3.31Å; K140-H1690 VanDerWaalsContact NZ-CE1 3.27Å; K140-H1690 PolarHBondContact NZ-ND1 2.85Å; K140-H1690 PolarHBondContact NZ-NE2 2.9Å; K140-H1690 VanDerWaalsContact NZ-NE2 3.17Å; R1686-H1690 PolarHBondContact O-CD2 3.28Å; R1686-H1690 VanDerWaalsContact O-CD2 3.27Å; R1686-H1690 PolarHBondContact O-N 3.26Å; R1686-H1690 VanDerWaalsContact O-N 3.08Å; K1687-H1690 WeakPolarHBondContact O-CB 3.41Å; K1687-H1690 PolarHBondContact O-N 3.29Å; K1687-H1690 VanDerWaalsContact O-N 3.13Å; M1688-H1690 VanDerWaalsContact C-N 3.3Å; M1688-H1690 PolarHBondContact O-N 2.88Å; H1690-M1693 PolarHBondContact O-N 2.95Å; H1690-S1694 PolarHBondContact O-N 2.91Å |
| 1691 | L | 66.6 | Low | 62.6 | Low | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -48.4 | -179.9 | -161 | 163.6 | 0 | 0 | 0 | 111.1 | K1687 M1688 M1693 S1694 L1695 S1717 L1720 L1721 I1757 | K1687-L1691 PolarHBondContact O-N 3.17Å; M1688-L1691 PolarHBondContact O-N 3.34Å; L1691-M1693 VanDerWaalsContact C-N 3.32Å; L1691-M1693 PolarHBondContact O-N 2.88Å; L1691-S1694 PolarHBondContact O-N 3.38Å; L1691-L1695 HydrophobicContact CD2-CD1 3.55Å; L1691-L1695 HydrophobicContact CD2-CG 4.12Å; L1691-L1695 PolarHBondContact O-N 3.16Å; L1691-S1717 WeakPolarHBondContact CD1-O 3.3Å; L1691-L1720 HydrophobicContact CB-CD2 4.29Å; L1691-L1720 HydrophobicContact CD1-CB 4.17Å; L1691-L1720 HydrophobicContact CD1-CD2 3.86Å; L1691-L1721 HydrophobicContact CD1-CB 4.21Å; L1691-L1721 HydrophobicContact CD1-CD1 3.63Å; L1691-L1721 HydrophobicContact CD2-CD1 4.39Å; L1691-I1757 HydrophobicContact CD2-CD1 4.27Å |
| 1692 | C | 66.4 | Low | 61.2 | Low | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 173.6 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | M1688 V1696 I1801 | M1688-C1692 WeakPolarHBondContact O-CB 3.35Å; M1688-C1692 PolarHBondContact O-N 3.17Å; M1688-C1692 PolarHBondContact O-SG 3.36Å; C1692-V1696 WeakPolarHBondContact O-CB 3.34Å; C1692-V1696 VanDerWaalsContact O-CG2 3.27Å; C1692-V1696 WeakPolarHBondContact O-CG2 3.32Å; C1692-V1696 PolarHBondContact O-N 2.84Å; C1692-I1801 HydrophobicContact CB-CG2 3.68Å |
| 1693 | M | 65.5 | Low | 59.7 | Low | 68 Ų | 68 | 48.3 Ų | 48.3 | 34% | 0.335 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 176.4 | -74.8 | -64.9 | -57.9 | 0 | 0 | 112.7 | D1689 H1690 L1691 N1697 | D1689-M1693 VanDerWaalsContact O-CB 3.26Å; D1689-M1693 WeakPolarHBondContact O-CB 3.28Å; D1689-M1693 WeakPolarHBondContact O-CG 3.16Å; D1689-M1693 PolarHBondContact O-N 2.84Å; D1689-M1693 VanDerWaalsContact O-N 3.09Å; H1690-M1693 PolarHBondContact O-N 2.95Å; L1691-M1693 VanDerWaalsContact C-N 3.32Å; L1691-M1693 PolarHBondContact O-N 2.88Å; M1693-N1697 VanDerWaalsContact O-CB 3.25Å; M1693-N1697 WeakPolarHBondContact O-CB 3.48Å; M1693-N1697 PolarHBondContact O-N 3.49Å; M1693-N1697 PolarHBondContact O-ND2 3.22Å |
| 1694 | S | 62.8 | Low | 58 | Low | 20 Ų | 20 | 52.4 Ų | 52.4 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -47.5 | 175.9 | -158.9 | 0 | 0 | 0 | 0 | 110.7 | E133 H1690 L1691 V1696 N1697 Q1698 | E133-S1694 PolarHBondContact OE1-OG 3.43Å; H1690-S1694 PolarHBondContact O-N 2.91Å; L1691-S1694 PolarHBondContact O-N 3.38Å; S1694-V1696 PolarHBondContact O-N 3.49Å; S1694-N1697 PolarHBondContact O-N 2.59Å; S1694-Q1698 WeakPolarHBondContact O-CB 3.27Å; S1694-Q1698 VanDerWaalsContact O-CG 3.24Å; S1694-Q1698 WeakPolarHBondContact O-CG 3.42Å; S1694-Q1698 PolarHBondContact O-N 2.88Å; S1694-Q1698 PolarHBondContact OG-NE2 2.82Å |
| 1695 | L | 62.3 | Low | 56.8 | Low | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 174.3 | -71.9 | 172.8 | 0 | 0 | 0 | 112.5 | L1691 N1697 Q1698 C1699 I1757 I1801 | L1691-L1695 HydrophobicContact CD2-CD1 3.55Å; L1691-L1695 HydrophobicContact CD2-CG 4.12Å; L1691-L1695 PolarHBondContact O-N 3.16Å; L1695-N1697 VanDerWaalsContact C-N 3.34Å; L1695-N1697 PolarHBondContact O-N 2.83Å; L1695-Q1698 PolarHBondContact O-N 2.87Å; L1695-C1699 WeakPolarHBondContact O-CB 3.25Å; L1695-C1699 PolarHBondContact O-N 2.87Å; L1695-C1699 PolarHBondContact O-SG 3.32Å; L1695-I1757 HydrophobicContact CD1-CD1 4.02Å; L1695-I1757 HydrophobicContact CD1-CG1 4.45Å; L1695-I1801 HydrophobicContact CB-CD1 3.9Å; L1695-I1801 HydrophobicContact CD1-CD1 4.44Å |
| 1696 | V | 63.1 | Low | 55.6 | Low | 45 Ų | 45 | 61.8 Ų | 61.8 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 179.1 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | C1692 S1694 G1700 I1801 | C1692-V1696 WeakPolarHBondContact O-CB 3.34Å; C1692-V1696 VanDerWaalsContact O-CG2 3.27Å; C1692-V1696 WeakPolarHBondContact O-CG2 3.32Å; C1692-V1696 PolarHBondContact O-N 2.84Å; S1694-V1696 PolarHBondContact O-N 3.49Å; V1696-G1700 PolarHBondContact O-N 2.88Å; V1696-G1700 VanDerWaalsContact O-N 3.14Å; V1696-I1801 HydrophobicContact CG2-CB 4.22Å; V1696-I1801 HydrophobicContact CG2-CD1 4.04Å; V1696-I1801 HydrophobicContact CG2-CG2 3.71Å |
| 1697 | N | 60.7 | Low | 54.3 | Low | 90 Ų | 90 | 62.5 Ų | 62.5 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 178 | -75.1 | -18.9 | 0 | 0 | 0 | 112.4 | M1693 S1694 L1695 G1700 | M1693-N1697 VanDerWaalsContact O-CB 3.25Å; M1693-N1697 WeakPolarHBondContact O-CB 3.48Å; M1693-N1697 PolarHBondContact O-N 3.49Å; M1693-N1697 PolarHBondContact O-ND2 3.22Å; S1694-N1697 PolarHBondContact O-N 2.59Å; L1695-N1697 VanDerWaalsContact C-N 3.34Å; L1695-N1697 PolarHBondContact O-N 2.83Å; N1697-G1700 PolarHBondContact O-N 3.15Å |
| 1698 | Q | 54.3 | Low | 53 | Low | 35 Ų | 35 | 65.2 Ų | 65.2 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 177.1 | -70.2 | 177.8 | 42.6 | 0 | 0 | 111.3 | S1694 L1695 G1700 K1701 C1702 N1713 | S1694-Q1698 WeakPolarHBondContact O-CB 3.27Å; S1694-Q1698 VanDerWaalsContact O-CG 3.24Å; S1694-Q1698 WeakPolarHBondContact O-CG 3.42Å; S1694-Q1698 PolarHBondContact O-N 2.88Å; S1694-Q1698 PolarHBondContact OG-NE2 2.82Å; L1695-Q1698 PolarHBondContact O-N 2.87Å; Q1698-G1700 PolarHBondContact O-N 3.32Å; Q1698-G1700 VanDerWaalsContact O-N 3.13Å; Q1698-K1701 PolarHBondContact O-N 3.44Å; Q1698-C1702 PolarHBondContact O-N 3.29Å; Q1698-C1702 PolarHBondContact O-SG 2.78Å; Q1698-N1713 PolarHBondContact NE2-ND2 3.24Å |
| 1699 | C | 52 | Low | 51.9 | Low | 25 Ų | 25 | 66.1 Ų | 66.1 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -19.9 | 172.9 | -68.6 | 0 | 0 | 0 | 0 | 113.6 | L1695 R1794 L1797 | L1695-C1699 WeakPolarHBondContact O-CB 3.25Å; L1695-C1699 PolarHBondContact O-N 2.87Å; L1695-C1699 PolarHBondContact O-SG 3.32Å; C1699-R1794 VanDerWaalsContact O-CD 3.31Å; C1699-R1794 WeakPolarHBondContact O-CD 3.17Å; C1699-R1794 PolarHBondContact O-NE 3.39Å; C1699-R1794 PolarHBondContact O-NH1 2.84Å; C1699-L1797 HydrophobicContact CB-CD2 4.36Å; C1699-L1797 WeakPolarHBondContact SG-CD2 3.4Å |
| 1700 | G | 46.8 | Very low | 50.9 | Low | 49 Ų | 49 | 66.5 Ų | 66.5 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.2 | -25.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1696 N1697 Q1698 | V1696-G1700 PolarHBondContact O-N 2.88Å; V1696-G1700 VanDerWaalsContact O-N 3.14Å; N1697-G1700 PolarHBondContact O-N 3.15Å; Q1698-G1700 PolarHBondContact O-N 3.32Å; Q1698-G1700 VanDerWaalsContact O-N 3.13Å |
| 1701 | K | 47.4 | Very low | 50.1 | Low | 168 Ų | 168 | 65.6 Ų | 65.6 | 73% | 0.73 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -119.6 | -4.6 | -163.1 | -67.8 | -171.1 | 178.4 | -170.5 | 0 | 116.5 | Q1698 S1703 | Q1698-K1701 PolarHBondContact O-N 3.44Å; K1701-S1703 PolarHBondContact O-N 3.26Å |
| 1702 | C | 35.1 | Very low | 49.4 | Very low | 47 Ų | 47 | 65.9 Ų | 65.9 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | trans | -62.8 | 104.9 | -175.2 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | Q1698 | Q1698-C1702 PolarHBondContact O-N 3.29Å; Q1698-C1702 PolarHBondContact O-SG 2.78Å | ||
| 1703 | S | 34.4 | Very low | 48.9 | Very low | 85 Ų | 85 | 65.9 Ų | 65.9 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | trans | -101.1 | 158.8 | 154.3 | 76.6 | 0 | 0 | 0 | 0 | 109.8 | K1701 K1705 S1706 | K1701-S1703 PolarHBondContact O-N 3.26Å; S1703-K1705 PolarHBondContact O-N 2.91Å; S1703-S1706 PolarHBondContact O-N 3.13Å; S1703-S1706 PolarHBondContact O-OG 2.97Å | ||
| 1704 | F | 36.1 | Very low | 48.7 | Very low | 195 Ų | 195 | 63.1 Ų | 63.1 | 86% | 0.855 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -1.6 | -169.5 | -109.8 | -89.4 | 0 | 0 | 0 | 118.1 | ||
| 1705 | K | 39.3 | Very low | 48.8 | Very low | 190 Ų | 190 | 65.8 Ų | 65.8 | 83% | 0.826 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 13.5 | -179.5 | -65.6 | -168.9 | 172.9 | -169.8 | 0 | 114.7 | S1703 | S1703-K1705 PolarHBondContact O-N 2.91Š|
| 1706 | S | 40.1 | Very low | 48.9 | Very low | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | trans | -112.7 | -0.6 | -169.9 | 51.8 | 0 | 0 | 0 | 0 | 116.1 | S1703 Q1708 V1709 L1710 | S1703-S1706 PolarHBondContact O-N 3.13Å; S1703-S1706 PolarHBondContact O-OG 2.97Å; S1706-Q1708 VanDerWaalsContact C-N 3.32Å; S1706-Q1708 PolarHBondContact O-N 2.94Å; S1706-V1709 PolarHBondContact O-N 3.14Å; S1706-L1710 PolarHBondContact O-N 3.22Å | ||
| 1707 | Q | 39.8 | Very low | 48.8 | Very low | 98 Ų | 98 | 68.4 Ų | 68.4 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.1 | -34.7 | -174.7 | -87.2 | 166.5 | -53.7 | 0 | 0 | 115.3 | V1709 L1710 | Q1707-V1709 PolarHBondContact O-N 2.95Å; Q1707-L1710 WeakPolarHBondContact O-CB 3.28Å; Q1707-L1710 PolarHBondContact O-N 3.35Å |
| 1708 | Q | 39.4 | Very low | 49.1 | Very low | 106 Ų | 106 | 65 Ų | 65 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.2 | -29.8 | -178.3 | -142.1 | 167.2 | 15.1 | 0 | 0 | 113.4 | S1706 | S1706-Q1708 VanDerWaalsContact C-N 3.32Å; S1706-Q1708 PolarHBondContact O-N 2.94Å |
| 1709 | V | 41.5 | Very low | 49.9 | Very low | 22 Ų | 22 | 68.2 Ų | 68.2 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -81.3 | -25.5 | 178.2 | 118.5 | 0 | 0 | 0 | 0 | 111.4 | K125 I129 S1706 Q1707 S1712 N1713 | K125-V1709 HydrophobicContact CB-CG2 4.12Å; K125-V1709 HydrophobicContact CD-CG2 3.62Å; K125-V1709 HydrophobicContact CG-CG2 4.18Å; I129-V1709 HydrophobicContact CD1-CB 4.32Å; I129-V1709 HydrophobicContact CD1-CG1 3.67Å; S1706-V1709 PolarHBondContact O-N 3.14Å; Q1707-V1709 PolarHBondContact O-N 2.95Å; V1709-S1712 PolarHBondContact O-OG 2.7Å; V1709-N1713 PolarHBondContact O-N 3Å |
| 1710 | L | 47.2 | Very low | 50.7 | Low | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 175.8 | -85.7 | 155.4 | 0 | 0 | 0 | 111.1 | S1706 Q1707 S1712 N1713 I1714 | S1706-L1710 PolarHBondContact O-N 3.22Å; Q1707-L1710 WeakPolarHBondContact O-CB 3.28Å; Q1707-L1710 PolarHBondContact O-N 3.35Å; L1710-S1712 PolarHBondContact O-N 2.93Å; L1710-N1713 PolarHBondContact O-N 3.34Å; L1710-I1714 HydrophobicContact CB-CD1 4.33Å; L1710-I1714 WeakPolarHBondContact O-CB 3.36Å; L1710-I1714 WeakPolarHBondContact O-CD1 3.47Å; L1710-I1714 WeakPolarHBondContact O-CG1 3.4Å; L1710-I1714 PolarHBondContact O-N 3.03Å |
| 1711 | S | 51 | Low | 51.7 | Low | 41 Ų | 41 | 67.1 Ų | 67.1 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.3 | -59.3 | 176.7 | 132.3 | 0 | 0 | 0 | 0 | 111.2 | N1713 I1714 D1715 | S1711-N1713 PolarHBondContact O-N 3.35Å; S1711-I1714 CarbonylContact O-C 3.6Å; S1711-I1714 WeakPolarHBondContact O-CA 3.34Å; S1711-I1714 WeakPolarHBondContact O-CB 3.12Å; S1711-I1714 PolarHBondContact O-N 3.18Å; S1711-D1715 VanDerWaalsContact C-OD2 3.3Å; S1711-D1715 PolarHBondContact O-N 2.79Å; S1711-D1715 VanDerWaalsContact O-OD2 3.05Å; S1711-D1715 PolarHBondContact OG-OD2 2.95Å |
| 1712 | S | 52.6 | Low | 53 | Low | 11 Ų | 11 | 60 Ų | 60 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -15.4 | -173.7 | 72.9 | 0 | 0 | 0 | 0 | 116.1 | K126 V1709 L1710 D1715 K1716 | K126-S1712 WeakPolarHBondContact CE-OG 3.36Å; V1709-S1712 PolarHBondContact O-OG 2.7Å; L1710-S1712 PolarHBondContact O-N 2.93Å; S1712-D1715 WeakPolarHBondContact CA-OD2 3.07Å; S1712-K1716 WeakPolarHBondContact O-CD 3.29Å; S1712-K1716 WeakPolarHBondContact O-CG 3.36Å |
| 1713 | N | 56.6 | Low | 54.7 | Low | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -93.3 | -29.3 | 171.8 | -82.1 | -0.2 | 0 | 0 | 0 | 112.3 | Q1698 V1709 L1710 S1711 S1717 | Q1698-N1713 PolarHBondContact NE2-ND2 3.24Å; V1709-N1713 PolarHBondContact O-N 3Å; L1710-N1713 PolarHBondContact O-N 3.34Å; S1711-N1713 PolarHBondContact O-N 3.35Å; N1713-S1717 VanDerWaalsContact O-CB 3.31Å; N1713-S1717 WeakPolarHBondContact O-CB 3.44Å; N1713-S1717 PolarHBondContact O-N 3.41Å; N1713-S1717 VanDerWaalsContact O-N 3.09Å; N1713-S1717 PolarHBondContact O-OG 3.46Å |
| 1714 | I | 60.8 | Low | 56.2 | Low | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 169.1 | -73.3 | 165.3 | 0 | 0 | 0 | 108.5 | L1710 S1711 K1716 S1717 T1718 I1757 L1760 | L1710-I1714 HydrophobicContact CB-CD1 4.33Å; L1710-I1714 WeakPolarHBondContact O-CB 3.36Å; L1710-I1714 WeakPolarHBondContact O-CD1 3.47Å; L1710-I1714 WeakPolarHBondContact O-CG1 3.4Å; L1710-I1714 PolarHBondContact O-N 3.03Å; S1711-I1714 CarbonylContact O-C 3.6Å; S1711-I1714 WeakPolarHBondContact O-CA 3.34Å; S1711-I1714 WeakPolarHBondContact O-CB 3.12Å; S1711-I1714 PolarHBondContact O-N 3.18Å; I1714-K1716 PolarHBondContact O-N 3.26Å; I1714-S1717 CarbonylContact O-C 3.55Å; I1714-S1717 WeakPolarHBondContact O-CA 3.4Å; I1714-S1717 WeakPolarHBondContact O-CB 3.32Å; I1714-S1717 PolarHBondContact O-N 2.81Å; I1714-T1718 PolarHBondContact O-N 3.29Å; I1714-T1718 PolarHBondContact O-OG1 3.27Å; I1714-I1757 HydrophobicContact CG2-CG2 3.85Å; I1714-L1760 HydrophobicContact CD1-CB 4.42Å |
| 1715 | D | 64.2 | Low | 58 | Low | 75 Ų | 75 | 46.3 Ų | 46.3 | 40% | 0.401 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.6 | -48.4 | 179.5 | -52.6 | -29.1 | 0 | 0 | 0 | 111.7 | S1711 S1712 S1717 T1718 D1719 | S1711-D1715 VanDerWaalsContact C-OD2 3.3Å; S1711-D1715 PolarHBondContact O-N 2.79Å; S1711-D1715 VanDerWaalsContact O-OD2 3.05Å; S1711-D1715 PolarHBondContact OG-OD2 2.95Å; S1712-D1715 WeakPolarHBondContact CA-OD2 3.07Å; D1715-S1717 VanDerWaalsContact C-N 3.26Å; D1715-S1717 PolarHBondContact O-N 2.98Å; D1715-T1718 WeakPolarHBondContact CA-OG1 3.42Å; D1715-T1718 PolarHBondContact O-N 3.16Å; D1715-T1718 PolarHBondContact O-OG1 3.37Å; D1715-D1719 VanDerWaalsContact O-CG 3.26Å; D1715-D1719 PolarHBondContact O-N 2.88Å |
| 1716 | K | 64.2 | Low | 59.6 | Low | 97 Ų | 97 | 43.2 Ų | 43.2 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -29.5 | 173.7 | -71.9 | 173.5 | -176.6 | 174 | 0 | 113.6 | S1712 I1714 L1720 | S1712-K1716 WeakPolarHBondContact O-CD 3.29Å; S1712-K1716 WeakPolarHBondContact O-CG 3.36Å; I1714-K1716 PolarHBondContact O-N 3.26Å; K1716-L1720 WeakPolarHBondContact O-CB 3.32Å; K1716-L1720 PolarHBondContact O-N 3.39Å; K1716-L1720 VanDerWaalsContact O-N 3.14Å |
| 1717 | S | 61 | Low | 60.8 | Low | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.4 | -39.3 | 177.6 | -61 | 0 | 0 | 0 | 0 | 110.7 | L1691 N1713 I1714 D1715 L1720 L1721 | L1691-S1717 WeakPolarHBondContact CD1-O 3.3Å; N1713-S1717 VanDerWaalsContact O-CB 3.31Å; N1713-S1717 WeakPolarHBondContact O-CB 3.44Å; N1713-S1717 PolarHBondContact O-N 3.41Å; N1713-S1717 VanDerWaalsContact O-N 3.09Å; N1713-S1717 PolarHBondContact O-OG 3.46Å; I1714-S1717 CarbonylContact O-C 3.55Å; I1714-S1717 WeakPolarHBondContact O-CA 3.4Å; I1714-S1717 WeakPolarHBondContact O-CB 3.32Å; I1714-S1717 PolarHBondContact O-N 2.81Å; D1715-S1717 VanDerWaalsContact C-N 3.26Å; D1715-S1717 PolarHBondContact O-N 2.98Å; S1717-L1720 PolarHBondContact O-N 3.4Å; S1717-L1721 WeakPolarHBondContact O-CB 3.28Å; S1717-L1721 PolarHBondContact O-N 2.92Å |
| 1718 | T | 67.8 | Low | 62 | Low | 18 Ų | 18 | 42.4 Ų | 42.4 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 171.3 | 41 | 0 | 0 | 0 | 0 | 111 | I1714 D1715 L1720 L1721 I1722 L1754 I1757 Q1758 | I1714-T1718 PolarHBondContact O-N 3.29Å; I1714-T1718 PolarHBondContact O-OG1 3.27Å; D1715-T1718 WeakPolarHBondContact CA-OG1 3.42Å; D1715-T1718 PolarHBondContact O-N 3.16Å; D1715-T1718 PolarHBondContact O-OG1 3.37Å; T1718-L1720 VanDerWaalsContact C-N 3.32Å; T1718-L1720 PolarHBondContact O-N 3.27Å; T1718-L1721 PolarHBondContact O-N 3.45Å; T1718-L1721 VanDerWaalsContact O-N 3.12Å; T1718-I1722 WeakPolarHBondContact O-CB 3.4Å; T1718-I1722 VanDerWaalsContact O-CG1 3.23Å; T1718-I1722 WeakPolarHBondContact O-CG1 3.44Å; T1718-I1722 PolarHBondContact O-N 2.86Å; T1718-L1754 HydrophobicContact CG2-CD1 4.17Å; T1718-I1757 HydrophobicContact CG2-CB 4.38Å; T1718-I1757 HydrophobicContact CG2-CG2 3.6Å; T1718-Q1758 HydrophobicContact CG2-CG 4.11Å |
| 1719 | D | 71.4 | Confident | 63.4 | Low | 104 Ų | 104 | 37.8 Ų | 37.8 | 56% | 0.556 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -57.2 | -44.4 | 176.8 | -69.4 | -18.7 | 0 | 0 | 0 | 112.3 | D1715 S1723 | D1715-D1719 VanDerWaalsContact O-CG 3.26Å; D1715-D1719 PolarHBondContact O-N 2.88Å; D1719-S1723 WeakPolarHBondContact O-CB 3.38Å; D1719-S1723 PolarHBondContact O-N 3.19Å |
| 1720 | L | 67.9 | Low | 64.6 | Low | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.4 | -37.4 | 179 | -159.4 | 99 | 0 | 0 | 0 | 111.5 | K1687 L1691 K1716 S1717 T1718 I1724 | K1687-L1720 HydrophobicContact CB-CD2 4.1Å; K1687-L1720 HydrophobicContact CD-CD1 4.04Å; K1687-L1720 HydrophobicContact CD-CD2 4.3Å; K1687-L1720 HydrophobicContact CD-CG 4.25Å; K1687-L1720 HydrophobicContact CG-CD2 4.38Å; L1691-L1720 HydrophobicContact CB-CD2 4.29Å; L1691-L1720 HydrophobicContact CD1-CB 4.17Å; L1691-L1720 HydrophobicContact CD1-CD2 3.86Å; K1716-L1720 WeakPolarHBondContact O-CB 3.32Å; K1716-L1720 PolarHBondContact O-N 3.39Å; K1716-L1720 VanDerWaalsContact O-N 3.14Å; S1717-L1720 PolarHBondContact O-N 3.4Å; T1718-L1720 VanDerWaalsContact C-N 3.32Å; T1718-L1720 PolarHBondContact O-N 3.27Å; L1720-I1724 HydrophobicContact CD2-CD1 4.19Å; L1720-I1724 HydrophobicContact CG-CD1 4.36Å; L1720-I1724 VanDerWaalsContact O-CD1 3.3Å; L1720-I1724 WeakPolarHBondContact O-CD1 3.26Å; L1720-I1724 WeakPolarHBondContact O-CG1 3.41Å; L1720-I1724 PolarHBondContact O-N 3.38Å |
| 1721 | L | 68.6 | Low | 65.2 | Low | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.2 | -45.9 | 178.5 | -150.5 | 84.6 | 0 | 0 | 0 | 111.4 | M1688 L1691 S1717 T1718 S1723 I1724 I1725 S1750 L1753 L1754 I1757 | M1688-L1721 HydrophobicContact CE-CD1 3.89Å; M1688-L1721 HydrophobicContact SD-CD1 3.6Å; L1691-L1721 HydrophobicContact CD1-CB 4.21Å; L1691-L1721 HydrophobicContact CD1-CD1 3.63Å; L1691-L1721 HydrophobicContact CD2-CD1 4.39Å; S1717-L1721 WeakPolarHBondContact O-CB 3.28Å; S1717-L1721 PolarHBondContact O-N 2.92Å; T1718-L1721 PolarHBondContact O-N 3.45Å; T1718-L1721 VanDerWaalsContact O-N 3.12Å; L1721-S1723 VanDerWaalsContact C-N 3.32Å; L1721-S1723 PolarHBondContact O-N 2.92Å; L1721-I1724 CarbonylContact O-C 3.58Å; L1721-I1724 WeakPolarHBondContact O-CA 3.43Å; L1721-I1724 WeakPolarHBondContact O-CB 3.45Å; L1721-I1724 PolarHBondContact O-N 3.11Å; L1721-I1725 HydrophobicContact CD2-CD1 4.47Å; L1721-I1725 HydrophobicContact CG-CD1 4.49Å; L1721-I1725 WeakPolarHBondContact O-CG1 3.45Å; L1721-I1725 PolarHBondContact O-N 3.24Å; L1721-S1750 WeakPolarHBondContact CD2-O 3.38Å; L1721-L1753 HydrophobicContact CD1-CD2 3.96Å; L1721-L1753 HydrophobicContact CD2-CB 4.21Å; L1721-L1753 HydrophobicContact CD2-CD2 4.38Å; L1721-L1753 HydrophobicContact CD2-CG 4.12Å; L1721-L1754 HydrophobicContact CB-CD1 4.19Å; L1721-L1754 HydrophobicContact CD2-CB 3.82Å; L1721-L1754 HydrophobicContact CD2-CD1 3.9Å; L1721-I1757 HydrophobicContact CD2-CD1 4.37Å |
| 1722 | I | 74.6 | Confident | 65.7 | Low | 20 Ų | 20 | 36.5 Ų | 36.5 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 173.2 | -68.1 | 165.3 | 0 | 0 | 0 | 109.8 | T1718 I1724 I1725 R1726 L1754 | T1718-I1722 WeakPolarHBondContact O-CB 3.4Å; T1718-I1722 VanDerWaalsContact O-CG1 3.23Å; T1718-I1722 WeakPolarHBondContact O-CG1 3.44Å; T1718-I1722 PolarHBondContact O-N 2.86Å; I1722-I1724 PolarHBondContact O-N 3.46Å; I1722-I1725 PolarHBondContact O-N 2.81Å; I1722-R1726 HydrophobicContact CG2-CG 4.27Å; I1722-R1726 VanDerWaalsContact CG2-CZ 3.46Å; I1722-R1726 VanDerWaalsContact CG2-NE 3.34Å; I1722-R1726 VanDerWaalsContact CG2-NH2 3.29Å; I1722-R1726 WeakPolarHBondContact O-CG 3.21Å; I1722-R1726 PolarHBondContact O-N 2.76Å; I1722-L1754 HydrophobicContact CD1-CD1 4.18Å; I1722-L1754 HydrophobicContact CG1-CD1 3.65Å; I1722-L1754 HydrophobicContact CG1-CD2 4.03Å |
| 1723 | S | 70.3 | Confident | 66.2 | Low | 32 Ų | 32 | 39.9 Ų | 39.9 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -27.1 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 113.1 | D1719 L1721 R1727 | D1719-S1723 WeakPolarHBondContact O-CB 3.38Å; D1719-S1723 PolarHBondContact O-N 3.19Å; L1721-S1723 VanDerWaalsContact C-N 3.32Å; L1721-S1723 PolarHBondContact O-N 2.92Å; S1723-R1727 WeakPolarHBondContact O-CB 3.34Å; S1723-R1727 WeakPolarHBondContact O-CD 3.36Å; S1723-R1727 WeakPolarHBondContact O-CG 3.36Å; S1723-R1727 PolarHBondContact O-N 3.5Å; S1723-R1727 PolarHBondContact OG-NE 2.85Å |
| 1724 | I | 67 | Low | 66.2 | Low | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.9 | -42.4 | 174.7 | -70.4 | 159.7 | 0 | 0 | 0 | 110.2 | Y1684 K1687 M1688 L1720 L1721 I1722 R1727 L1728 | Y1684-I1724 HydrophobicContact CD1-CG1 4.49Å; K1687-I1724 HydrophobicContact CB-CD1 3.86Å; M1688-I1724 HydrophobicContact CG-CD1 4.04Å; M1688-I1724 HydrophobicContact CG-CG2 4.43Å; M1688-I1724 HydrophobicContact SD-CD1 3.77Å; M1688-I1724 HydrophobicContact SD-CG2 4.41Å; L1720-I1724 HydrophobicContact CD2-CD1 4.19Å; L1720-I1724 HydrophobicContact CG-CD1 4.36Å; L1720-I1724 VanDerWaalsContact O-CD1 3.3Å; L1720-I1724 WeakPolarHBondContact O-CD1 3.26Å; L1720-I1724 WeakPolarHBondContact O-CG1 3.41Å; L1720-I1724 PolarHBondContact O-N 3.38Å; L1721-I1724 CarbonylContact O-C 3.58Å; L1721-I1724 WeakPolarHBondContact O-CA 3.43Å; L1721-I1724 WeakPolarHBondContact O-CB 3.45Å; L1721-I1724 PolarHBondContact O-N 3.11Å; I1722-I1724 PolarHBondContact O-N 3.46Å; I1724-R1727 PolarHBondContact O-N 2.87Å; I1724-L1728 HydrophobicContact CG2-CD1 3.8Å; I1724-L1728 HydrophobicContact CG2-CG 4.27Å; I1724-L1728 WeakPolarHBondContact O-CB 3.39Å; I1724-L1728 VanDerWaalsContact O-CG 3.32Å; I1724-L1728 WeakPolarHBondContact O-CG 3.5Å; I1724-L1728 PolarHBondContact O-N 3.46Å |
| 1725 | I | 72.5 | Confident | 65.9 | Low | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.9 | -58.4 | 176.7 | -68.7 | 165.1 | 0 | 0 | 0 | 110.5 | L1721 I1722 R1727 L1728 E1729 R1751 L1754 | L1721-I1725 HydrophobicContact CD2-CD1 4.47Å; L1721-I1725 HydrophobicContact CG-CD1 4.49Å; L1721-I1725 WeakPolarHBondContact O-CG1 3.45Å; L1721-I1725 PolarHBondContact O-N 3.24Å; I1722-I1725 PolarHBondContact O-N 2.81Å; I1725-R1727 PolarHBondContact O-N 3.34Å; I1725-R1727 VanDerWaalsContact O-N 3.11Å; I1725-L1728 PolarHBondContact O-N 2.84Å; I1725-E1729 VanDerWaalsContact CG2-OE1 3.31Å; I1725-E1729 WeakPolarHBondContact CG2-OE1 3.37Å; I1725-E1729 WeakPolarHBondContact O-CG 3.49Å; I1725-E1729 PolarHBondContact O-N 2.84Å; I1725-R1751 HydrophobicContact CD1-CG 4.33Å; I1725-L1754 HydrophobicContact CD1-CB 4.38Å; I1725-L1754 HydrophobicContact CD1-CD2 4.31Å |
| 1726 | R | 73.6 | Confident | 65.5 | Low | 125 Ų | 125 | 51 Ų | 51 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -32.3 | 178.6 | -62.7 | -174.2 | -161.8 | 154.6 | 8.5 | 112.6 | D995 I1722 S1730 | D995-R1726 IonicContact OD1-CZ 2.73Å; D995-R1726 IonicContact OD1-NE 3.74Å; D995-R1726 IonicContact OD1-NH2 2.71Å; D995-R1726 PolarHBondContact OD1-NH2 3.14Å; D995-R1726 IonicContact OD2-CZ 2.71Å; D995-R1726 VanDerWaalsContact OD2-CZ 3.24Å; D995-R1726 IonicContact OD2-NE 2.78Å; D995-R1726 PolarHBondContact OD2-NE 2.85Å; D995-R1726 IonicContact OD2-NH2 2.75Å; D995-R1726 PolarHBondContact OD2-NH2 3.33Å; I1722-R1726 HydrophobicContact CG2-CG 4.27Å; I1722-R1726 VanDerWaalsContact CG2-CZ 3.46Å; I1722-R1726 VanDerWaalsContact CG2-NE 3.34Å; I1722-R1726 VanDerWaalsContact CG2-NH2 3.29Å; I1722-R1726 WeakPolarHBondContact O-CG 3.21Å; I1722-R1726 PolarHBondContact O-N 2.76Å; R1726-S1730 VanDerWaalsContact O-CB 3.32Å; R1726-S1730 WeakPolarHBondContact O-CB 3.49Å; R1726-S1730 PolarHBondContact O-N 2.96Å |
| 1727 | R | 66 | Low | 65 | Low | 99 Ų | 99 | 48.8 Ų | 48.8 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -82.4 | -26.5 | 179.3 | -75.2 | 178.1 | -172.7 | -160.1 | -1.4 | 114 | Y1684 S1723 I1724 I1725 L1731 | Y1684-R1727 HydrophobicContact CE1-CB 4Å; Y1684-R1727 HydrophobicContact CE1-CG 4.46Å; Y1684-R1727 HydrophobicContact CE2-CB 4.08Å; Y1684-R1727 WeakPolarHBondContact OH-CB 3.5Å; S1723-R1727 WeakPolarHBondContact O-CB 3.34Å; S1723-R1727 WeakPolarHBondContact O-CD 3.36Å; S1723-R1727 WeakPolarHBondContact O-CG 3.36Å; S1723-R1727 PolarHBondContact O-N 3.5Å; S1723-R1727 PolarHBondContact OG-NE 2.85Å; I1724-R1727 PolarHBondContact O-N 2.87Å; I1725-R1727 PolarHBondContact O-N 3.34Å; I1725-R1727 VanDerWaalsContact O-N 3.11Å; R1727-L1731 WeakPolarHBondContact O-CB 3.4Å; R1727-L1731 PolarHBondContact O-N 2.92Å |
| 1728 | L | 65.1 | Low | 64.8 | Low | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72 | -48.2 | 169.1 | -76.3 | 169.6 | 0 | 0 | 0 | 109.3 | L1681 Y1684 I1724 I1725 S1730 L1731 C1732 I1746 L1747 | L1681-L1728 HydrophobicContact CD2-CD2 3.95Å; Y1684-L1728 HydrophobicContact CD2-CD2 4.06Å; Y1684-L1728 HydrophobicContact CD2-CG 4.45Å; I1724-L1728 HydrophobicContact CG2-CD1 3.8Å; I1724-L1728 HydrophobicContact CG2-CG 4.27Å; I1724-L1728 WeakPolarHBondContact O-CB 3.39Å; I1724-L1728 VanDerWaalsContact O-CG 3.32Å; I1724-L1728 WeakPolarHBondContact O-CG 3.5Å; I1724-L1728 PolarHBondContact O-N 3.46Å; I1725-L1728 PolarHBondContact O-N 2.84Å; L1728-S1730 VanDerWaalsContact C-N 3.34Å; L1728-S1730 PolarHBondContact O-N 3.48Å; L1728-L1731 WeakPolarHBondContact O-CA 3.36Å; L1728-L1731 WeakPolarHBondContact O-CB 3.27Å; L1728-L1731 PolarHBondContact O-N 2.82Å; L1728-C1732 PolarHBondContact O-N 2.92Å; L1728-C1732 PolarHBondContact O-SG 3.44Å; L1728-I1746 HydrophobicContact CD1-CG2 4.19Å; L1728-L1747 HydrophobicContact CB-CD2 3.92Å |
| 1729 | E | 68.3 | Low | 64.4 | Low | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.3 | -48.6 | 174.4 | -69.6 | 162.3 | 169.6 | 0 | 0 | 111.1 | A991 I1725 L1731 C1732 N1733 L1747 R1751 | A991-E1729 VanDerWaalsContact CB-CD 3.43Å; A991-E1729 WeakPolarHBondContact CB-OE1 3.39Å; A991-E1729 VanDerWaalsContact CB-OE2 3.29Å; A991-E1729 WeakPolarHBondContact CB-OE2 3.36Å; I1725-E1729 VanDerWaalsContact CG2-OE1 3.31Å; I1725-E1729 WeakPolarHBondContact CG2-OE1 3.37Å; I1725-E1729 WeakPolarHBondContact O-CG 3.49Å; I1725-E1729 PolarHBondContact O-N 2.84Å; E1729-L1731 PolarHBondContact O-N 2.97Å; E1729-L1731 VanDerWaalsContact O-N 3.15Å; E1729-C1732 PolarHBondContact O-N 2.94Å; E1729-N1733 WeakPolarHBondContact O-CB 3.35Å; E1729-N1733 PolarHBondContact O-N 3.29Å; E1729-N1733 PolarHBondContact O-ND2 3.38Å; E1729-N1733 PolarHBondContact O-OD1 3.24Å; E1729-L1747 HydrophobicContact CG-CD1 3.83Å; E1729-L1747 HydrophobicContact CG-CD2 3.72Å; E1729-L1747 HydrophobicContact CG-CG 4.45Å; E1729-R1751 IonicContact OE1-CZ 3.08Å; E1729-R1751 IonicContact OE1-NE 2.59Å; E1729-R1751 IonicContact OE1-NH2 2.65Å; E1729-R1751 PolarHBondContact OE1-NH2 3.3Å |
| 1730 | S | 66.2 | Low | 63.7 | Low | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.8 | -26 | 171.5 | 162.6 | 0 | 0 | 0 | 0 | 114.9 | R1680 R1726 L1728 Q1734 | R1680-S1730 PolarHBondContact NH2-OG 3.38Å; R1726-S1730 VanDerWaalsContact O-CB 3.32Å; R1726-S1730 WeakPolarHBondContact O-CB 3.49Å; R1726-S1730 PolarHBondContact O-N 2.96Å; L1728-S1730 VanDerWaalsContact C-N 3.34Å; L1728-S1730 PolarHBondContact O-N 3.48Å; S1730-Q1734 VanDerWaalsContact O-CG 3.22Å; S1730-Q1734 WeakPolarHBondContact O-CG 3.5Å; S1730-Q1734 PolarHBondContact O-OE1 2.74Å |
| 1731 | L | 59.5 | Low | 63.6 | Low | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -86.6 | -34.1 | -178 | -148.6 | 148.7 | 0 | 0 | 0 | 111.2 | A1677 R1680 Y1684 R1727 L1728 E1729 N1735 | A1677-L1731 HydrophobicContact CB-CD2 4.12Å; R1680-L1731 HydrophobicContact CB-CD1 4.03Å; R1680-L1731 HydrophobicContact CG-CD1 3.67Å; Y1684-L1731 HydrophobicContact CE2-CD1 3.91Å; R1727-L1731 WeakPolarHBondContact O-CB 3.4Å; R1727-L1731 PolarHBondContact O-N 2.92Å; L1728-L1731 WeakPolarHBondContact O-CA 3.36Å; L1728-L1731 WeakPolarHBondContact O-CB 3.27Å; L1728-L1731 PolarHBondContact O-N 2.82Å; E1729-L1731 PolarHBondContact O-N 2.97Å; E1729-L1731 VanDerWaalsContact O-N 3.15Å; L1731-N1735 PolarHBondContact O-N 2.8Å; L1731-N1735 PolarHBondContact O-ND2 3.45Å |
| 1732 | C | 62.3 | Low | 63.2 | Low | 27 Ų | 27 | 61 Ų | 61 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 172.7 | -55 | 0 | 0 | 0 | 0 | 111.1 | L1728 E1729 Q1734 N1735 I1743 | L1728-C1732 PolarHBondContact O-N 2.92Å; L1728-C1732 PolarHBondContact O-SG 3.44Å; E1729-C1732 PolarHBondContact O-N 2.94Å; C1732-Q1734 PolarHBondContact O-N 3.07Å; C1732-N1735 PolarHBondContact O-N 3.48Å; C1732-I1743 HydrophobicContact CB-CD1 3.99Å; C1732-I1743 HydrophobicContact CB-CG2 4.04Å; C1732-I1743 WeakPolarHBondContact SG-CD1 3.25Å; C1732-I1743 WeakPolarHBondContact SG-CG2 3.21Å |
| 1733 | N | 62.4 | Low | 62.6 | Low | 81 Ų | 81 | 61.1 Ų | 61.1 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -3.9 | -179.1 | -61.3 | -8.1 | 0 | 0 | 0 | 113.7 | E989 E1729 | E989-N1733 WeakPolarHBondContact CB-ND2 3.13Å; E989-N1733 VanDerWaalsContact CD-ND2 3.27Å; E989-N1733 PolarHBondContact OE2-ND2 2.86Å; E989-N1733 PolarHBondContact OE2-OD1 2.99Å; E1729-N1733 WeakPolarHBondContact O-CB 3.35Å; E1729-N1733 PolarHBondContact O-N 3.29Å; E1729-N1733 PolarHBondContact O-ND2 3.38Å; E1729-N1733 PolarHBondContact O-OD1 3.24Å |
| 1734 | Q | 57.7 | Low | 62.4 | Low | 122 Ų | 122 | 64.9 Ų | 64.9 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -10.5 | 176.5 | -76.3 | -175.8 | -24 | 0 | 0 | 113.3 | S1730 C1732 | S1730-Q1734 VanDerWaalsContact O-CG 3.22Å; S1730-Q1734 WeakPolarHBondContact O-CG 3.5Å; S1730-Q1734 PolarHBondContact O-OE1 2.74Å; C1732-Q1734 PolarHBondContact O-N 3.07Å |
| 1735 | N | 54.3 | Low | 62.3 | Low | 36 Ų | 36 | 66.2 Ų | 66.2 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | trans | -152.4 | 115.3 | -173.5 | -58.9 | -85.6 | 0 | 0 | 0 | 113.1 | L1731 C1732 L1737 | L1731-N1735 PolarHBondContact O-N 2.8Å; L1731-N1735 PolarHBondContact O-ND2 3.45Å; C1732-N1735 PolarHBondContact O-N 3.48Å; N1735-L1737 HydrophobicContact CB-CB 4.12Å; N1735-L1737 HydrophobicContact CB-CD1 4.11Å; N1735-L1737 PolarHBondContact O-N 3.31Å | ||
| 1736 | D | 55 | Low | 61.9 | Low | 170 Ų | 170 | 67.3 Ų | 67.3 | 91% | 0.909 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 17.5 | 170 | -61.9 | -55.6 | 0 | 0 | 0 | 114.3 | F1738 | D1736-F1738 VanDerWaalsContact C-N 3.34Å; D1736-F1738 PolarHBondContact O-N 2.73Å |
| 1737 | L | 53.2 | Low | 61.8 | Low | 50 Ų | 50 | 62.4 Ų | 62.4 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.6 | -168.9 | -97.2 | 159.3 | 0 | 0 | 0 | 115.1 | F1670 L1674 N1735 | F1670-L1737 HydrophobicContact CE2-CD1 4.37Å; F1670-L1737 HydrophobicContact CE2-CD2 3.66Å; F1670-L1737 HydrophobicContact CE2-CG 4.15Å; F1670-L1737 HydrophobicContact CZ-CD2 3.59Å; L1674-L1737 HydrophobicContact CD1-CD1 4.17Å; L1674-L1737 HydrophobicContact CD1-CD2 3.58Å; L1674-L1737 HydrophobicContact CD2-CD2 4.19Å; L1674-L1737 HydrophobicContact CG-CD1 3.9Å; L1674-L1737 HydrophobicContact CG-CD2 3.88Å; N1735-L1737 HydrophobicContact CB-CB 4.12Å; N1735-L1737 HydrophobicContact CB-CD1 4.11Å; N1735-L1737 PolarHBondContact O-N 3.31Å |
| 1738 | F | 57.7 | Low | 62.1 | Low | 53 Ų | 53 | 63.4 Ų | 63.4 | 23% | 0.232 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -134.3 | 143 | -173.6 | -63 | -73.4 | 0 | 0 | 0 | 110 | L1681 D1736 N1740 I1743 V1815 | L1681-F1738 HydrophobicContact CD1-CE2 4.26Å; L1681-F1738 HydrophobicContact CD1-CZ 3.9Å; D1736-F1738 VanDerWaalsContact C-N 3.34Å; D1736-F1738 PolarHBondContact O-N 2.73Å; F1738-N1740 PolarHBondContact O-N 2.98Å; F1738-I1743 HydrophobicContact CB-CD1 3.52Å; F1738-I1743 HydrophobicContact CB-CG1 4.23Å; F1738-I1743 HydrophobicContact CG-CD1 4.41Å; F1738-V1815 HydrophobicContact CE1-CG2 4.07Å; F1738-V1815 HydrophobicContact CZ-CG2 4.46Å |
| 1739 | S | 58.5 | Low | 62.2 | Low | 76 Ų | 76 | 63.5 Ų | 63.5 | 53% | 0.531 | 33% | 0.331 | S | S | . | . | trans | -67.3 | 126.2 | 178.2 | 60 | 0 | 0 | 0 | 0 | 111.1 | H1741 V1742 I1743 | S1739-H1741 PolarHBondContact O-N 2.84Å; S1739-V1742 PolarHBondContact O-N 3.45Å; S1739-V1742 WeakPolarHBondContact OG-CG2 3.24Å; S1739-I1743 PolarHBondContact O-N 3.46Å | ||
| 1740 | N | 58.1 | Low | 62 | Low | 113 Ų | 113 | 63.2 Ų | 63.2 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -47.7 | -37.5 | -178.8 | -69.8 | -6.5 | 0 | 0 | 0 | 112.5 | F1738 V1742 I1743 E1744 | F1738-N1740 PolarHBondContact O-N 2.98Å; N1740-V1742 PolarHBondContact O-N 2.97Å; N1740-I1743 WeakPolarHBondContact O-CB 3.2Å; N1740-I1743 PolarHBondContact O-N 2.87Å; N1740-E1744 WeakPolarHBondContact O-CB 3.3Å; N1740-E1744 VanDerWaalsContact O-CG 3.31Å; N1740-E1744 WeakPolarHBondContact O-CG 3.45Å; N1740-E1744 PolarHBondContact O-N 3.31Å |
| 1741 | H | 63.7 | Low | 62.4 | Low | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.8 | -36.5 | 179.3 | -170.2 | 55.9 | 0 | 0 | 0 | 114.8 | S1739 S1745 | S1739-H1741 PolarHBondContact O-N 2.84Å; H1741-S1745 PolarHBondContact O-N 3.44Å; H1741-S1745 VanDerWaalsContact O-N 3.15Å |
| 1742 | V | 61.1 | Low | 63 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.4 | -45.7 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | S1739 N1740 S1745 I1746 L1811 | S1739-V1742 PolarHBondContact O-N 3.45Å; S1739-V1742 WeakPolarHBondContact OG-CG2 3.24Å; N1740-V1742 PolarHBondContact O-N 2.97Å; V1742-S1745 PolarHBondContact O-N 3.45Å; V1742-I1746 HydrophobicContact CG1-CD1 3.94Å; V1742-I1746 VanDerWaalsContact O-CD1 3.25Å; V1742-I1746 WeakPolarHBondContact O-CD1 3.47Å; V1742-I1746 WeakPolarHBondContact O-CG1 3.34Å; V1742-I1746 PolarHBondContact O-N 2.88Å; V1742-I1746 VanDerWaalsContact O-N 3.14Å; V1742-L1811 HydrophobicContact CG1-CD1 4.02Å |
| 1743 | I | 61.5 | Low | 63.2 | Low | 22 Ų | 22 | 68.7 Ų | 68.7 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.7 | -53.3 | 174.4 | -80.6 | 162.8 | 0 | 0 | 0 | 111.7 | C1732 F1738 S1739 N1740 S1745 I1746 L1747 | C1732-I1743 HydrophobicContact CB-CD1 3.99Å; C1732-I1743 HydrophobicContact CB-CG2 4.04Å; C1732-I1743 WeakPolarHBondContact SG-CD1 3.25Å; C1732-I1743 WeakPolarHBondContact SG-CG2 3.21Å; F1738-I1743 HydrophobicContact CB-CD1 3.52Å; F1738-I1743 HydrophobicContact CB-CG1 4.23Å; F1738-I1743 HydrophobicContact CG-CD1 4.41Å; S1739-I1743 PolarHBondContact O-N 3.46Å; N1740-I1743 WeakPolarHBondContact O-CB 3.2Å; N1740-I1743 PolarHBondContact O-N 2.87Å; I1743-S1745 PolarHBondContact O-N 2.93Å; I1743-I1746 WeakPolarHBondContact O-CA 3.39Å; I1743-I1746 WeakPolarHBondContact O-CB 3.38Å; I1743-I1746 PolarHBondContact O-N 3.19Å; I1743-L1747 HydrophobicContact CG2-CD1 3.83Å; I1743-L1747 HydrophobicContact CG2-CG 4.34Å; I1743-L1747 WeakPolarHBondContact O-CG 3.32Å; I1743-L1747 PolarHBondContact O-N 3.38Å |
| 1744 | E | 66 | Low | 63.6 | Low | 111 Ų | 111 | 65 Ų | 65 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.5 | -39.1 | 178.5 | -80.5 | -179.4 | 168.6 | 0 | 0 | 111.2 | N1740 I1746 L1747 R1748 | N1740-E1744 WeakPolarHBondContact O-CB 3.3Å; N1740-E1744 VanDerWaalsContact O-CG 3.31Å; N1740-E1744 WeakPolarHBondContact O-CG 3.45Å; N1740-E1744 PolarHBondContact O-N 3.31Å; E1744-I1746 VanDerWaalsContact C-N 3.33Å; E1744-I1746 PolarHBondContact O-N 2.91Å; E1744-L1747 PolarHBondContact O-N 3.38Å; E1744-R1748 WeakPolarHBondContact O-CB 3.47Å; E1744-R1748 PolarHBondContact O-N 3.34Å |
| 1745 | S | 65 | Low | 64.1 | Low | 30 Ų | 30 | 63.3 Ų | 63.3 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 176.6 | -162 | 0 | 0 | 0 | 0 | 112.7 | H1741 V1742 I1743 R1748 D1749 | H1741-S1745 PolarHBondContact O-N 3.44Å; H1741-S1745 VanDerWaalsContact O-N 3.15Å; V1742-S1745 PolarHBondContact O-N 3.45Å; I1743-S1745 PolarHBondContact O-N 2.93Å; S1745-R1748 VanDerWaalsContact CB-NH2 3.35Å; S1745-R1748 PolarHBondContact OG-NH2 2.82Å; S1745-D1749 VanDerWaalsContact O-CB 3.29Å; S1745-D1749 WeakPolarHBondContact O-CB 3.25Å; S1745-D1749 PolarHBondContact O-N 2.86Å |
| 1746 | I | 65.4 | Low | 64.5 | Low | 26 Ų | 26 | 65.6 Ų | 65.6 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.7 | -41.9 | 176.7 | -62.3 | 148.7 | 0 | 0 | 0 | 110.6 | L1728 V1742 I1743 E1744 D1749 S1750 Y1808 L1811 | L1728-I1746 HydrophobicContact CD1-CG2 4.19Å; V1742-I1746 HydrophobicContact CG1-CD1 3.94Å; V1742-I1746 VanDerWaalsContact O-CD1 3.25Å; V1742-I1746 WeakPolarHBondContact O-CD1 3.47Å; V1742-I1746 WeakPolarHBondContact O-CG1 3.34Å; V1742-I1746 PolarHBondContact O-N 2.88Å; V1742-I1746 VanDerWaalsContact O-N 3.14Å; I1743-I1746 WeakPolarHBondContact O-CA 3.39Å; I1743-I1746 WeakPolarHBondContact O-CB 3.38Å; I1743-I1746 PolarHBondContact O-N 3.19Å; E1744-I1746 VanDerWaalsContact C-N 3.33Å; E1744-I1746 PolarHBondContact O-N 2.91Å; I1746-D1749 PolarHBondContact O-N 2.89Å; I1746-S1750 VanDerWaalsContact O-CB 3.28Å; I1746-S1750 WeakPolarHBondContact O-CB 3.39Å; I1746-S1750 PolarHBondContact O-N 3.36Å; I1746-S1750 PolarHBondContact O-OG 3.45Å; I1746-Y1808 HydrophobicContact CG2-CE1 4.17Å; I1746-Y1808 HydrophobicContact CG2-CE2 4.33Å; I1746-L1811 HydrophobicContact CD1-CD1 3.79Å; I1746-L1811 HydrophobicContact CD1-CD2 3.38Å; I1746-L1811 HydrophobicContact CD1-CG 4.11Å; I1746-L1811 HydrophobicContact CG1-CD2 4.2Å |
| 1747 | L | 70 | Confident | 64.9 | Low | 22 Ų | 22 | 57.5 Ų | 57.5 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.7 | -68 | 176.4 | 0 | 0 | 0 | 110.9 | L1728 E1729 I1743 E1744 S1750 R1751 | L1728-L1747 HydrophobicContact CB-CD2 3.92Å; E1729-L1747 HydrophobicContact CG-CD1 3.83Å; E1729-L1747 HydrophobicContact CG-CD2 3.72Å; E1729-L1747 HydrophobicContact CG-CG 4.45Å; I1743-L1747 HydrophobicContact CG2-CD1 3.83Å; I1743-L1747 HydrophobicContact CG2-CG 4.34Å; I1743-L1747 WeakPolarHBondContact O-CG 3.32Å; I1743-L1747 PolarHBondContact O-N 3.38Å; E1744-L1747 PolarHBondContact O-N 3.38Å; L1747-S1750 PolarHBondContact O-N 2.87Å; L1747-R1751 WeakPolarHBondContact O-CG 3.28Å; L1747-R1751 PolarHBondContact O-N 3.48Å |
| 1748 | R | 74.1 | Confident | 65.4 | Low | 121 Ų | 121 | 58.5 Ų | 58.5 | 46% | 0.457 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 173.4 | 175.2 | 174.7 | 57.4 | -145.4 | -7.3 | 112.3 | E1744 S1745 S1750 R1751 Q1752 | E1744-R1748 WeakPolarHBondContact O-CB 3.47Å; E1744-R1748 PolarHBondContact O-N 3.34Å; S1745-R1748 VanDerWaalsContact CB-NH2 3.35Å; S1745-R1748 PolarHBondContact OG-NH2 2.82Å; R1748-S1750 PolarHBondContact O-N 2.9Å; R1748-R1751 PolarHBondContact O-N 3.43Å; R1748-Q1752 WeakPolarHBondContact O-CG 3.34Å; R1748-Q1752 PolarHBondContact O-N 2.81Å |
| 1749 | D | 65.6 | Low | 65.5 | Low | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 177.8 | -72.6 | -12.9 | 0 | 0 | 0 | 111.7 | S1745 I1746 L1753 Y1804 K1807 | S1745-D1749 VanDerWaalsContact O-CB 3.29Å; S1745-D1749 WeakPolarHBondContact O-CB 3.25Å; S1745-D1749 PolarHBondContact O-N 2.86Å; I1746-D1749 PolarHBondContact O-N 2.89Å; D1749-L1753 PolarHBondContact O-N 3.44Å; D1749-L1753 VanDerWaalsContact O-N 3.16Å; D1749-Y1804 HydrophobicContact CB-CD1 4.03Å; D1749-Y1804 HydrophobicContact CB-CE1 3.82Å; D1749-K1807 VanDerWaalsContact CG-NZ 3.27Å; D1749-K1807 IonicContact OD1-NZ 2.93Å; D1749-K1807 PolarHBondContact OD1-NZ 3.43Å; D1749-K1807 VanDerWaalsContact OD1-NZ 3.1Å; D1749-K1807 WeakPolarHBondContact OD2-CD 3.29Å; D1749-K1807 WeakPolarHBondContact OD2-CE 3.43Å; D1749-K1807 IonicContact OD2-NZ 2.59Å; D1749-K1807 PolarHBondContact OD2-NZ 3.5Å |
| 1750 | S | 65.3 | Low | 65.4 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.8 | -36.3 | 178.9 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | L1721 I1746 L1747 R1748 L1753 L1754 Y1808 | L1721-S1750 WeakPolarHBondContact CD2-O 3.38Å; I1746-S1750 VanDerWaalsContact O-CB 3.28Å; I1746-S1750 WeakPolarHBondContact O-CB 3.39Å; I1746-S1750 PolarHBondContact O-N 3.36Å; I1746-S1750 PolarHBondContact O-OG 3.45Å; L1747-S1750 PolarHBondContact O-N 2.87Å; R1748-S1750 PolarHBondContact O-N 2.9Å; S1750-L1753 PolarHBondContact O-N 3.41Å; S1750-L1754 PolarHBondContact O-N 3.5Å; S1750-Y1808 PolarHBondContact OG-OH 3.43Å |
| 1751 | R | 74.4 | Confident | 65 | Low | 90 Ų | 90 | 53.8 Ų | 53.8 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 171.8 | -69.9 | -177.1 | -166.9 | 178.7 | 10.9 | 111.4 | I1725 E1729 L1747 R1748 L1753 L1754 D1755 | I1725-R1751 HydrophobicContact CD1-CG 4.33Å; E1729-R1751 IonicContact OE1-CZ 3.08Å; E1729-R1751 IonicContact OE1-NE 2.59Å; E1729-R1751 IonicContact OE1-NH2 2.65Å; E1729-R1751 PolarHBondContact OE1-NH2 3.3Å; L1747-R1751 WeakPolarHBondContact O-CG 3.28Å; L1747-R1751 PolarHBondContact O-N 3.48Å; R1748-R1751 PolarHBondContact O-N 3.43Å; R1751-L1753 VanDerWaalsContact C-N 3.26Å; R1751-L1753 PolarHBondContact O-N 2.84Å; R1751-L1754 WeakPolarHBondContact O-CA 3.33Å; R1751-L1754 VanDerWaalsContact O-CB 3.3Å; R1751-L1754 WeakPolarHBondContact O-CB 3.48Å; R1751-L1754 PolarHBondContact O-N 3.19Å; R1751-D1755 PolarHBondContact O-N 2.92Å |
| 1752 | Q | 71 | Confident | 64.2 | Low | 97 Ų | 97 | 49.9 Ų | 49.9 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 171.3 | -75.9 | -177 | -7.4 | 0 | 0 | 112.7 | R1748 W1756 | R1748-Q1752 WeakPolarHBondContact O-CG 3.34Å; R1748-Q1752 PolarHBondContact O-N 2.81Å; Q1752-W1756 VanDerWaalsContact O-CB 3.27Å; Q1752-W1756 WeakPolarHBondContact O-CB 3.13Å; Q1752-W1756 PolarHBondContact O-N 2.78Å |
| 1753 | L | 67.4 | Low | 63.4 | Low | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.3 | -33.2 | 173 | -176 | 62.7 | 0 | 0 | 0 | 112.2 | M1688 L1721 D1749 S1750 R1751 I1757 Y1804 | M1688-L1753 HydrophobicContact CE-CD2 3.95Å; L1721-L1753 HydrophobicContact CD1-CD2 3.96Å; L1721-L1753 HydrophobicContact CD2-CB 4.21Å; L1721-L1753 HydrophobicContact CD2-CD2 4.38Å; L1721-L1753 HydrophobicContact CD2-CG 4.12Å; D1749-L1753 PolarHBondContact O-N 3.44Å; D1749-L1753 VanDerWaalsContact O-N 3.16Å; S1750-L1753 PolarHBondContact O-N 3.41Å; R1751-L1753 VanDerWaalsContact C-N 3.26Å; R1751-L1753 PolarHBondContact O-N 2.84Å; L1753-I1757 HydrophobicContact CD1-CD1 4.11Å; L1753-I1757 HydrophobicContact CD1-CG1 4.39Å; L1753-I1757 HydrophobicContact CG-CD1 3.95Å; L1753-I1757 WeakPolarHBondContact O-CB 3.18Å; L1753-I1757 WeakPolarHBondContact O-CD1 3.21Å; L1753-I1757 WeakPolarHBondContact O-CG1 3.43Å; L1753-I1757 PolarHBondContact O-N 3.41Å; L1753-Y1804 HydrophobicContact CD1-CD2 4.38Å; L1753-Y1804 HydrophobicContact CD1-CE2 4.42Å |
| 1754 | L | 71.2 | Confident | 62.4 | Low | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -55.5 | 174.6 | -169.5 | 70.7 | 0 | 0 | 0 | 111.3 | T1718 L1721 I1722 I1725 S1750 R1751 W1756 I1757 Q1758 | T1718-L1754 HydrophobicContact CG2-CD1 4.17Å; L1721-L1754 HydrophobicContact CB-CD1 4.19Å; L1721-L1754 HydrophobicContact CD2-CB 3.82Å; L1721-L1754 HydrophobicContact CD2-CD1 3.9Å; I1722-L1754 HydrophobicContact CD1-CD1 4.18Å; I1722-L1754 HydrophobicContact CG1-CD1 3.65Å; I1722-L1754 HydrophobicContact CG1-CD2 4.03Å; I1725-L1754 HydrophobicContact CD1-CB 4.38Å; I1725-L1754 HydrophobicContact CD1-CD2 4.31Å; S1750-L1754 PolarHBondContact O-N 3.5Å; R1751-L1754 WeakPolarHBondContact O-CA 3.33Å; R1751-L1754 VanDerWaalsContact O-CB 3.3Å; R1751-L1754 WeakPolarHBondContact O-CB 3.48Å; R1751-L1754 PolarHBondContact O-N 3.19Å; L1754-W1756 PolarHBondContact O-N 3.38Å; L1754-I1757 PolarHBondContact O-N 2.92Å; L1754-I1757 VanDerWaalsContact O-N 3.09Å; L1754-Q1758 WeakPolarHBondContact O-CG 3.22Å; L1754-Q1758 PolarHBondContact O-N 3.42Å |
| 1755 | D | 68.1 | Low | 61.1 | Low | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.5 | -44.6 | 178.9 | -63.8 | -11.5 | 0 | 0 | 0 | 110.3 | R1751 Q1758 C1759 | R1751-D1755 PolarHBondContact O-N 2.92Å; D1755-Q1758 PolarHBondContact O-N 3.36Å; D1755-C1759 PolarHBondContact O-N 2.85Å; D1755-C1759 PolarHBondContact O-SG 2.79Å |
| 1756 | W | 63 | Low | 59.9 | Low | 84 Ų | 84 | 56.1 Ų | 56.1 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.4 | -34.4 | -178.4 | -169.4 | 80.7 | 0 | 0 | 0 | 113.2 | Q1752 L1754 L1760 L1797 | Q1752-W1756 VanDerWaalsContact O-CB 3.27Å; Q1752-W1756 WeakPolarHBondContact O-CB 3.13Å; Q1752-W1756 PolarHBondContact O-N 2.78Å; L1754-W1756 PolarHBondContact O-N 3.38Å; W1756-L1760 HydrophobicContact CE3-CD1 4.17Å; W1756-L1760 HydrophobicContact CH2-CD1 3.32Å; W1756-L1760 HydrophobicContact CH2-CD2 4.02Å; W1756-L1760 HydrophobicContact CH2-CG 3.77Å; W1756-L1760 HydrophobicContact CZ2-CD1 4.19Å; W1756-L1760 HydrophobicContact CZ2-CD2 4.15Å; W1756-L1760 HydrophobicContact CZ2-CG 4.14Å; W1756-L1760 HydrophobicContact CZ3-CD1 3.34Å; W1756-L1760 HydrophobicContact CZ3-CG 4.01Å; W1756-L1760 PolarHBondContact O-N 3.31Å; W1756-L1797 HydrophobicContact CE3-CD1 4.2Å; W1756-L1797 HydrophobicContact CH2-CD1 3.08Å; W1756-L1797 HydrophobicContact CH2-CD2 3.5Å; W1756-L1797 VanDerWaalsContact CH2-CD2 3.5Å; W1756-L1797 HydrophobicContact CH2-CG 3.82Å; W1756-L1797 HydrophobicContact CZ2-CD1 3.77Å; W1756-L1797 HydrophobicContact CZ2-CD2 4.25Å; W1756-L1797 HydrophobicContact CZ2-CG 4.43Å; W1756-L1797 HydrophobicContact CZ3-CD1 3.31Å; W1756-L1797 HydrophobicContact CZ3-CD2 4.32Å; W1756-L1797 HydrophobicContact CZ3-CG 4.41Å |
| 1757 | I | 62.8 | Low | 58.5 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 172 | -68.6 | 167.5 | 0 | 0 | 0 | 110.9 | L1691 L1695 I1714 T1718 L1721 L1753 L1754 L1760 G1761 | L1691-I1757 HydrophobicContact CD2-CD1 4.27Å; L1695-I1757 HydrophobicContact CD1-CD1 4.02Å; L1695-I1757 HydrophobicContact CD1-CG1 4.45Å; I1714-I1757 HydrophobicContact CG2-CG2 3.85Å; T1718-I1757 HydrophobicContact CG2-CB 4.38Å; T1718-I1757 HydrophobicContact CG2-CG2 3.6Å; L1721-I1757 HydrophobicContact CD2-CD1 4.37Å; L1753-I1757 HydrophobicContact CD1-CD1 4.11Å; L1753-I1757 HydrophobicContact CD1-CG1 4.39Å; L1753-I1757 HydrophobicContact CG-CD1 3.95Å; L1753-I1757 WeakPolarHBondContact O-CB 3.18Å; L1753-I1757 WeakPolarHBondContact O-CD1 3.21Å; L1753-I1757 WeakPolarHBondContact O-CG1 3.43Å; L1753-I1757 PolarHBondContact O-N 3.41Å; L1754-I1757 PolarHBondContact O-N 2.92Å; L1754-I1757 VanDerWaalsContact O-N 3.09Å; I1757-L1760 WeakPolarHBondContact O-CB 3.2Å; I1757-L1760 PolarHBondContact O-N 3.38Å; I1757-G1761 PolarHBondContact O-N 2.78Å |
| 1758 | Q | 64.2 | Low | 56.6 | Low | 70 Ų | 70 | 63.9 Ų | 63.9 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.8 | -73.3 | 179.2 | -16.3 | 0 | 0 | 111.7 | T1718 L1754 D1755 L1760 G1761 A1762 | T1718-Q1758 HydrophobicContact CG2-CG 4.11Å; L1754-Q1758 WeakPolarHBondContact O-CG 3.22Å; L1754-Q1758 PolarHBondContact O-N 3.42Å; D1755-Q1758 PolarHBondContact O-N 3.36Å; Q1758-L1760 PolarHBondContact O-N 2.98Å; Q1758-G1761 WeakPolarHBondContact O-CA 3.38Å; Q1758-G1761 PolarHBondContact O-N 2.75Å; Q1758-G1761 VanDerWaalsContact O-N 3.11Å; Q1758-A1762 PolarHBondContact O-N 2.91Å |
| 1759 | C | 59.2 | Low | 54.4 | Low | 77 Ų | 77 | 63.3 Ų | 63.3 | 52% | 0.52 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 171.7 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | D1755 G1761 A1762 E1763 | D1755-C1759 PolarHBondContact O-N 2.85Å; D1755-C1759 PolarHBondContact O-SG 2.79Å; C1759-G1761 VanDerWaalsContact C-N 3.28Å; C1759-G1761 PolarHBondContact O-N 3.44Å; C1759-A1762 PolarHBondContact O-N 2.81Å; C1759-E1763 PolarHBondContact O-N 2.64Å; C1759-E1763 VanDerWaalsContact O-N 3.16Å |
| 1760 | L | 55.3 | Low | 52.6 | Low | 53 Ų | 53 | 69.6 Ų | 69.6 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -35.9 | 172.8 | -75.3 | -177 | 0 | 0 | 0 | 112.9 | I1714 W1756 I1757 Q1758 S1764 | I1714-L1760 HydrophobicContact CD1-CB 4.42Å; W1756-L1760 HydrophobicContact CE3-CD1 4.17Å; W1756-L1760 HydrophobicContact CH2-CD1 3.32Å; W1756-L1760 HydrophobicContact CH2-CD2 4.02Å; W1756-L1760 HydrophobicContact CH2-CG 3.77Å; W1756-L1760 HydrophobicContact CZ2-CD1 4.19Å; W1756-L1760 HydrophobicContact CZ2-CD2 4.15Å; W1756-L1760 HydrophobicContact CZ2-CG 4.14Å; W1756-L1760 HydrophobicContact CZ3-CD1 3.34Å; W1756-L1760 HydrophobicContact CZ3-CG 4.01Å; W1756-L1760 PolarHBondContact O-N 3.31Å; I1757-L1760 WeakPolarHBondContact O-CB 3.2Å; I1757-L1760 PolarHBondContact O-N 3.38Å; Q1758-L1760 PolarHBondContact O-N 2.98Å; L1760-S1764 PolarHBondContact O-N 3Å |
| 1761 | G | 49.8 | Very low | 50.9 | Low | 13 Ų | 13 | 77.3 Ų | 77.3 | 13% | 0.134 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -50.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1757 Q1758 C1759 E1763 S1764 V1765 | I1757-G1761 PolarHBondContact O-N 2.78Å; Q1758-G1761 WeakPolarHBondContact O-CA 3.38Å; Q1758-G1761 PolarHBondContact O-N 2.75Å; Q1758-G1761 VanDerWaalsContact O-N 3.11Å; C1759-G1761 VanDerWaalsContact C-N 3.28Å; C1759-G1761 PolarHBondContact O-N 3.44Å; G1761-E1763 PolarHBondContact O-N 2.81Å; G1761-S1764 WeakPolarHBondContact O-CB 3.36Å; G1761-S1764 PolarHBondContact O-N 3.2Å; G1761-S1764 PolarHBondContact O-OG 2.67Å; G1761-V1765 PolarHBondContact O-N 3.42Å |
| 1762 | A | 48.7 | Very low | 48.7 | Very low | 50 Ų | 50 | 79.5 Ų | 79.5 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1758 C1759 S1764 V1765 N1766 | Q1758-A1762 PolarHBondContact O-N 2.91Å; C1759-A1762 PolarHBondContact O-N 2.81Å; A1762-S1764 PolarHBondContact O-N 2.83Å; A1762-V1765 PolarHBondContact O-N 3.28Å; A1762-N1766 PolarHBondContact O-N 2.81Å; A1762-N1766 PolarHBondContact O-ND2 3.11Å |
| 1763 | E | 44 | Very low | 46.9 | Very low | 134 Ų | 134 | 85.8 Ų | 85.8 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.1 | -26.1 | 175.7 | -71.7 | -175.6 | 164.6 | 0 | 0 | 113.4 | C1759 G1761 N1767 | C1759-E1763 PolarHBondContact O-N 2.64Å; C1759-E1763 VanDerWaalsContact O-N 3.16Å; G1761-E1763 PolarHBondContact O-N 2.81Å; E1763-N1767 PolarHBondContact O-ND2 3.33Å |
| 1764 | S | 40.7 | Very low | 45.3 | Very low | 26 Ų | 26 | 95 Ų | 95 | 18% | 0.182 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -76.9 | -32.5 | 177.8 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | L1760 G1761 A1762 | L1760-S1764 PolarHBondContact O-N 3Å; G1761-S1764 WeakPolarHBondContact O-CB 3.36Å; G1761-S1764 PolarHBondContact O-N 3.2Å; G1761-S1764 PolarHBondContact O-OG 2.67Å; A1762-S1764 PolarHBondContact O-N 2.83Å |
| 1765 | V | 38.9 | Very low | 43.4 | Very low | 84 Ų | 84 | 103.6 Ų | 103.6 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -82.6 | -38.3 | -177.2 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | G1761 A1762 N1767 A1768 | G1761-V1765 PolarHBondContact O-N 3.42Å; A1762-V1765 PolarHBondContact O-N 3.28Å; V1765-N1767 PolarHBondContact O-N 3.45Å; V1765-N1767 VanDerWaalsContact O-N 3.11Å; V1765-A1768 PolarHBondContact O-N 2.72Å; V1765-A1768 VanDerWaalsContact O-N 3.08Å |
| 1766 | N | 39.6 | Very low | 41.8 | Very low | 118 Ų | 118 | 105.4 Ų | 105.4 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -14.2 | -177 | -74.1 | -23 | 0 | 0 | 0 | 114.7 | A1762 | A1762-N1766 PolarHBondContact O-N 2.81Å; A1762-N1766 PolarHBondContact O-ND2 3.11Å |
| 1767 | N | 35.1 | Very low | 40.4 | Very low | 126 Ų | 126 | 108.4 Ų | 108.4 | 67% | 0.674 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -1.2 | 175.1 | -77.4 | -68.9 | 0 | 0 | 0 | 114.4 | E1763 V1765 | E1763-N1767 PolarHBondContact O-ND2 3.33Å; V1765-N1767 PolarHBondContact O-N 3.45Å; V1765-N1767 VanDerWaalsContact O-N 3.11Å |
| 1768 | A | 30.7 | Very low | 39 | Very low | 85 Ų | 85 | 114.8 Ų | 114.8 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -101.1 | -9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1765 | V1765-A1768 PolarHBondContact O-N 2.72Å; V1765-A1768 VanDerWaalsContact O-N 3.08Å |
| 1769 | C | 28.4 | Very low | 37.3 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -101.2 | -2.5 | -170.9 | -74.3 | 0 | 0 | 0 | 0 | 116.5 | L1771 | C1769-L1771 PolarHBondContact O-N 3.41Š|
| 1770 | N | 27.3 | Very low | 35.8 | Very low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | trans | -102.5 | 69.3 | -173.7 | -78.4 | -29.3 | 0 | 0 | 0 | 113.9 | ||||
| 1771 | L | 28.7 | Very low | 34.4 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | trans | -158.1 | 70.4 | 167.7 | -111.7 | 142.1 | 0 | 0 | 0 | 113.4 | C1769 | C1769-L1771 PolarHBondContact O-N 3.41Š| ||
| 1772 | T | 29.4 | Very low | 33.3 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 83% | 0.828 | 71% | 0.708 | S | S | * | * | trans | -167.7 | 127.1 | 140 | 11 | 0 | 0 | 0 | 0 | 114 | ||||
| 1773 | R | 32.8 | Very low | 32.4 | Very low | 229 Ų | 229 | 134.7 Ų | 134.7 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | 84.6 | 110.2 | 152.2 | -68.8 | 179.2 | 172.7 | 173.8 | -0.3 | 121.6 | ||||
| 1774 | K | 34.4 | Very low | 31.6 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | trans | 91.4 | 110.4 | 138.8 | -69.5 | -169.7 | 172.3 | -166.5 | 0 | 118.6 | ||||
| 1775 | E | 31 | Very low | 31.1 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -66.6 | 139.3 | 158.7 | -60.8 | 159.3 | 130.7 | 0 | 0 | 109.9 | ||||
| 1776 | D | 34.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 67% | 0.674 | 79% | 0.79 | S | S | * | * | -166.6 | 126 | 120.2 | -94.1 | -20.6 | 0 | 0 | 0 | 110.5 | Q823 | Q823-D1776 PolarHBondContact NE2-OD2 3.04Š| |||
| 1777 | D | 33.5 | Very low | 30 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | 73.3 | 130.4 | 151.2 | -94.3 | -20.8 | 0 | 0 | 0 | 126.4 | ||||
| 1778 | I | 32.2 | Very low | 29.9 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | 85.2 | 91.4 | 148.4 | -57 | 156.6 | 0 | 0 | 0 | 120 | ||||
| 1779 | N | 29 | Very low | 30.1 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | 53.4 | 134.1 | 133.2 | -61.6 | -33.4 | 0 | 0 | 0 | 122.8 | ||||
| 1780 | T | 28.7 | Very low | 30.5 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 97.1 | 70.5 | 153.2 | -28.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1781 | C | 25.6 | Very low | 31.2 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | -168.1 | 153.9 | 126.2 | -102.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1782 | P | 27.6 | Very low | 32 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -82.7 | 148.8 | -166.1 | 32 | -35.5 | 0 | 0 | 0 | 115 | E1784 | P1782-E1784 PolarHBondContact O-N 2.82Š| ||
| 1783 | L | 27.9 | Very low | 32.9 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -71.7 | 116.9 | 167.4 | -76.9 | 69.9 | 0 | 0 | 0 | 110.3 | ||||
| 1784 | E | 27.7 | Very low | 33.7 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -166.1 | 64.9 | 151.5 | -119.4 | 170.6 | -142.1 | 0 | 0 | 114.8 | P1782 | P1782-E1784 PolarHBondContact O-N 2.82Š| ||
| 1785 | V | 30.2 | Very low | 34.8 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -127.4 | 68.5 | 166.1 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1786 | K | 27.9 | Very low | 36.2 | Very low | 204 Ų | 204 | 117.2 Ų | 117.2 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -122.2 | 14.4 | -179 | -106.6 | -178.5 | -178.6 | 174.2 | 0 | 114.7 | ||
| 1787 | S | 27.7 | Very low | 37.2 | Very low | 99 Ų | 99 | 112 Ų | 112 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | trans | -169.3 | 82.8 | -179.8 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1788 | L | 33.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 108.2 Ų | 108.2 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | trans | -145 | 84.9 | 163.5 | -92.8 | 118.3 | 0 | 0 | 0 | 111.7 | ||||
| 1789 | L | 34.9 | Very low | 40.1 | Very low | 136 Ų | 136 | 103.9 Ų | 103.9 | 71% | 0.712 | 58% | 0.576 | S | S | * | * | trans | -140.1 | 63.8 | 149.5 | -116.3 | 170.8 | 0 | 0 | 0 | 105 | ||||
| 1790 | C | 36 | Very low | 41.8 | Very low | 67 Ų | 67 | 100.4 Ų | 100.4 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | trans | -67.6 | 145.7 | -168.9 | -80 | 0 | 0 | 0 | 0 | 110 | G1792 E1793 R1794 | C1790-G1792 PolarHBondContact O-N 2.87Å; C1790-E1793 PolarHBondContact N-OE2 3.39Å; C1790-E1793 PolarHBondContact O-N 2.79Å; C1790-R1794 PolarHBondContact O-N 3.01Å | ||
| 1791 | S | 42.3 | Very low | 43.4 | Very low | 102 Ų | 102 | 94.5 Ų | 94.5 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.2 | -31.8 | -178.6 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | E1793 R1794 E1795 | S1791-E1793 PolarHBondContact O-N 2.9Å; S1791-R1794 PolarHBondContact O-N 3.41Å; S1791-E1795 WeakPolarHBondContact O-CB 3.28Å; S1791-E1795 WeakPolarHBondContact O-CG 3.35Å; S1791-E1795 PolarHBondContact O-N 2.88Å |
| 1792 | G | 45.4 | Very low | 45.4 | Very low | 29 Ų | 29 | 95.2 Ų | 95.2 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -28.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1790 K1796 | C1790-G1792 PolarHBondContact O-N 2.87Å; G1792-K1796 WeakPolarHBondContact O-CB 3.49Å; G1792-K1796 WeakPolarHBondContact O-CG 3.36Å; G1792-K1796 PolarHBondContact O-N 2.62Å |
| 1793 | E | 48.4 | Very low | 47.5 | Very low | 74 Ų | 74 | 93.9 Ų | 93.9 | 35% | 0.346 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -78.8 | -39.5 | 175.4 | -68.4 | 166.4 | 146.2 | 0 | 0 | 110.5 | C1790 S1791 E1795 K1796 L1797 | C1790-E1793 PolarHBondContact N-OE2 3.39Å; C1790-E1793 PolarHBondContact O-N 2.79Å; S1791-E1793 PolarHBondContact O-N 2.9Å; E1793-E1795 VanDerWaalsContact C-N 3.28Å; E1793-E1795 PolarHBondContact O-N 2.88Å; E1793-K1796 WeakPolarHBondContact O-CB 3.25Å; E1793-K1796 PolarHBondContact O-N 3.48Å; E1793-L1797 WeakPolarHBondContact O-CB 3.25Å; E1793-L1797 PolarHBondContact O-N 2.89Å |
| 1794 | R | 50.5 | Low | 49.1 | Very low | 77 Ų | 77 | 87.6 Ų | 87.6 | 29% | 0.291 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.7 | -30.1 | 172.5 | -168.5 | -179.3 | -82.6 | -167.9 | -3.2 | 112.4 | C1699 C1790 S1791 K1798 | C1699-R1794 VanDerWaalsContact O-CD 3.31Å; C1699-R1794 WeakPolarHBondContact O-CD 3.17Å; C1699-R1794 PolarHBondContact O-NE 3.39Å; C1699-R1794 PolarHBondContact O-NH1 2.84Å; C1790-R1794 PolarHBondContact O-N 3.01Å; S1791-R1794 PolarHBondContact O-N 3.41Å; R1794-K1798 WeakPolarHBondContact O-CG 3.23Å; R1794-K1798 PolarHBondContact O-N 2.88Å |
| 1795 | E | 56.5 | Low | 51 | Low | 117 Ų | 117 | 83.2 Ų | 83.2 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.5 | -49.6 | 169.3 | -76.2 | -81.1 | 113.4 | 0 | 0 | 111.6 | S1791 E1793 L1797 K1798 S1799 | S1791-E1795 WeakPolarHBondContact O-CB 3.28Å; S1791-E1795 WeakPolarHBondContact O-CG 3.35Å; S1791-E1795 PolarHBondContact O-N 2.88Å; E1793-E1795 VanDerWaalsContact C-N 3.28Å; E1793-E1795 PolarHBondContact O-N 2.88Å; E1795-L1797 VanDerWaalsContact C-N 3.26Å; E1795-L1797 PolarHBondContact O-N 3.49Å; E1795-K1798 WeakPolarHBondContact O-CB 3.41Å; E1795-K1798 PolarHBondContact O-N 2.88Å; E1795-S1799 PolarHBondContact O-N 3.35Å |
| 1796 | K | 61.1 | Low | 53 | Low | 28 Ų | 28 | 83.4 Ų | 83.4 | 12% | 0.122 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -50.8 | -46.1 | 173.8 | -89 | -176.5 | 162.7 | -174.5 | 0 | 112.1 | L355 G1792 E1793 S1799 Q1800 | L355-K1796 HydrophobicContact CD2-CD 4.15Å; L355-K1796 VanDerWaalsContact CD2-CE 3.42Å; G1792-K1796 WeakPolarHBondContact O-CB 3.49Å; G1792-K1796 WeakPolarHBondContact O-CG 3.36Å; G1792-K1796 PolarHBondContact O-N 2.62Å; E1793-K1796 WeakPolarHBondContact O-CB 3.25Å; E1793-K1796 PolarHBondContact O-N 3.48Å; K1796-S1799 CarbonylContact O-C 3.49Å; K1796-S1799 WeakPolarHBondContact O-CA 3.39Å; K1796-S1799 WeakPolarHBondContact O-CB 3.29Å; K1796-S1799 PolarHBondContact O-N 3.44Å; K1796-S1799 VanDerWaalsContact O-N 3.14Å; K1796-Q1800 PolarHBondContact O-N 2.72Å |
| 1797 | L | 54.1 | Low | 54.7 | Low | 16 Ų | 16 | 77 Ų | 77 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 177 | 175.2 | 52.4 | 0 | 0 | 0 | 112.5 | C1699 W1756 E1793 E1795 S1799 Q1800 I1801 | C1699-L1797 HydrophobicContact CB-CD2 4.36Å; C1699-L1797 WeakPolarHBondContact SG-CD2 3.4Å; W1756-L1797 HydrophobicContact CE3-CD1 4.2Å; W1756-L1797 HydrophobicContact CH2-CD1 3.08Å; W1756-L1797 HydrophobicContact CH2-CD2 3.5Å; W1756-L1797 VanDerWaalsContact CH2-CD2 3.5Å; W1756-L1797 HydrophobicContact CH2-CG 3.82Å; W1756-L1797 HydrophobicContact CZ2-CD1 3.77Å; W1756-L1797 HydrophobicContact CZ2-CD2 4.25Å; W1756-L1797 HydrophobicContact CZ2-CG 4.43Å; W1756-L1797 HydrophobicContact CZ3-CD1 3.31Å; W1756-L1797 HydrophobicContact CZ3-CD2 4.32Å; W1756-L1797 HydrophobicContact CZ3-CG 4.41Å; E1793-L1797 WeakPolarHBondContact O-CB 3.25Å; E1793-L1797 PolarHBondContact O-N 2.89Å; E1795-L1797 VanDerWaalsContact C-N 3.26Å; E1795-L1797 PolarHBondContact O-N 3.49Å; L1797-S1799 VanDerWaalsContact C-N 3.3Å; L1797-S1799 PolarHBondContact O-N 3.46Å; L1797-Q1800 PolarHBondContact O-N 3.45Å; L1797-I1801 HydrophobicContact CD1-CD1 3.49Å; L1797-I1801 VanDerWaalsContact CD1-CD1 3.49Å; L1797-I1801 HydrophobicContact CD1-CG1 3.87Å; L1797-I1801 HydrophobicContact CG-CD1 3.92Å; L1797-I1801 WeakPolarHBondContact O-CG1 3.22Å; L1797-I1801 PolarHBondContact O-N 3.37Å |
| 1798 | K | 61.4 | Low | 56.4 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 174 | -74.3 | 173.9 | -179.2 | 177.9 | 0 | 111.9 | R1794 E1795 K1802 | R1794-K1798 WeakPolarHBondContact O-CG 3.23Å; R1794-K1798 PolarHBondContact O-N 2.88Å; E1795-K1798 WeakPolarHBondContact O-CB 3.41Å; E1795-K1798 PolarHBondContact O-N 2.88Å; K1798-K1802 VanDerWaalsContact O-CB 3.29Å; K1798-K1802 WeakPolarHBondContact O-CB 3.32Å; K1798-K1802 WeakPolarHBondContact O-CD 3.48Å; K1798-K1802 WeakPolarHBondContact O-CG 3.47Å; K1798-K1802 PolarHBondContact O-N 2.85Å; K1798-K1802 VanDerWaalsContact O-N 3.1Å |
| 1799 | S | 66.8 | Low | 58.1 | Low | 42 Ų | 42 | 71.5 Ų | 71.5 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 172.9 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | E351 E1795 K1796 L1797 K1802 H1803 | E351-S1799 PolarHBondContact OE1-OG 2.84Å; E1795-S1799 PolarHBondContact O-N 3.35Å; K1796-S1799 CarbonylContact O-C 3.49Å; K1796-S1799 WeakPolarHBondContact O-CA 3.39Å; K1796-S1799 WeakPolarHBondContact O-CB 3.29Å; K1796-S1799 PolarHBondContact O-N 3.44Å; K1796-S1799 VanDerWaalsContact O-N 3.14Å; L1797-S1799 VanDerWaalsContact C-N 3.3Å; L1797-S1799 PolarHBondContact O-N 3.46Å; S1799-K1802 PolarHBondContact O-N 2.74Å; S1799-H1803 WeakPolarHBondContact O-CB 3.37Å; S1799-H1803 PolarHBondContact O-N 2.72Å |
| 1800 | Q | 63.5 | Low | 59.7 | Low | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 179.6 | -77.2 | 176 | -29.1 | 0 | 0 | 112.4 | K1796 L1797 K1802 H1803 Y1804 | K1796-Q1800 PolarHBondContact O-N 2.72Å; L1797-Q1800 PolarHBondContact O-N 3.45Å; Q1800-K1802 VanDerWaalsContact C-N 3.31Å; Q1800-K1802 PolarHBondContact O-N 2.85Å; Q1800-H1803 WeakPolarHBondContact O-CA 3.26Å; Q1800-H1803 WeakPolarHBondContact O-CB 3.24Å; Q1800-H1803 PolarHBondContact O-N 3.39Å; Q1800-Y1804 HydrophobicContact CB-CE2 4.28Å; Q1800-Y1804 WeakPolarHBondContact O-CD2 3.41Å; Q1800-Y1804 PolarHBondContact O-N 3.25Å |
| 1801 | I | 62.9 | Low | 61 | Low | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.3 | -65.7 | 165.8 | 0 | 0 | 0 | 111 | C1692 L1695 V1696 L1797 H1803 R1805 | C1692-I1801 HydrophobicContact CB-CG2 3.68Å; L1695-I1801 HydrophobicContact CB-CD1 3.9Å; L1695-I1801 HydrophobicContact CD1-CD1 4.44Å; V1696-I1801 HydrophobicContact CG2-CB 4.22Å; V1696-I1801 HydrophobicContact CG2-CD1 4.04Å; V1696-I1801 HydrophobicContact CG2-CG2 3.71Å; L1797-I1801 HydrophobicContact CD1-CD1 3.49Å; L1797-I1801 VanDerWaalsContact CD1-CD1 3.49Å; L1797-I1801 HydrophobicContact CD1-CG1 3.87Å; L1797-I1801 HydrophobicContact CG-CD1 3.92Å; L1797-I1801 WeakPolarHBondContact O-CG1 3.22Å; L1797-I1801 PolarHBondContact O-N 3.37Å; I1801-H1803 VanDerWaalsContact C-N 3.33Å; I1801-H1803 PolarHBondContact O-N 3.08Å; I1801-R1805 VanDerWaalsContact O-CB 3.23Å; I1801-R1805 WeakPolarHBondContact O-CB 3.31Å; I1801-R1805 PolarHBondContact O-N 2.82Å |
| 1802 | K | 67.6 | Low | 62.1 | Low | 136 Ų | 136 | 66 Ų | 66 | 59% | 0.591 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.4 | -35.6 | 172.3 | -77.7 | 172.8 | -179 | 176.2 | 0 | 112.5 | K1798 S1799 Q1800 R1806 | K1798-K1802 VanDerWaalsContact O-CB 3.29Å; K1798-K1802 WeakPolarHBondContact O-CB 3.32Å; K1798-K1802 WeakPolarHBondContact O-CD 3.48Å; K1798-K1802 WeakPolarHBondContact O-CG 3.47Å; K1798-K1802 PolarHBondContact O-N 2.85Å; K1798-K1802 VanDerWaalsContact O-N 3.1Å; S1799-K1802 PolarHBondContact O-N 2.74Å; Q1800-K1802 VanDerWaalsContact C-N 3.31Å; Q1800-K1802 PolarHBondContact O-N 2.85Å; K1802-R1806 WeakPolarHBondContact O-CB 3.23Å; K1802-R1806 VanDerWaalsContact O-CG 3.31Å; K1802-R1806 WeakPolarHBondContact O-CG 3.36Å; K1802-R1806 PolarHBondContact O-N 2.93Å |
| 1803 | H | 71.8 | Confident | 63.3 | Low | 93 Ų | 93 | 70.4 Ų | 70.4 | 43% | 0.431 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.1 | -52.2 | 176.8 | 179.9 | 92.3 | 0 | 0 | 0 | 111.3 | S1799 Q1800 I1801 R1805 R1806 K1807 | S1799-H1803 WeakPolarHBondContact O-CB 3.37Å; S1799-H1803 PolarHBondContact O-N 2.72Å; Q1800-H1803 WeakPolarHBondContact O-CA 3.26Å; Q1800-H1803 WeakPolarHBondContact O-CB 3.24Å; Q1800-H1803 PolarHBondContact O-N 3.39Å; I1801-H1803 VanDerWaalsContact C-N 3.33Å; I1801-H1803 PolarHBondContact O-N 3.08Å; H1803-R1805 VanDerWaalsContact C-N 3.31Å; H1803-R1805 PolarHBondContact O-N 3.36Å; H1803-R1806 WeakPolarHBondContact O-CB 3.44Å; H1803-R1806 PolarHBondContact O-N 3.26Å; H1803-R1806 VanDerWaalsContact O-N 3.11Å; H1803-K1807 WeakPolarHBondContact NE2-CE 3.49Å; H1803-K1807 PolarHBondContact NE2-NZ 3.21Å; H1803-K1807 PolarHBondContact O-N 3.06Å |
| 1804 | Y | 62 | Low | 63.9 | Low | 30 Ų | 30 | 69.6 Ų | 69.6 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 176.4 | -66.5 | -55.9 | 0 | 0 | 0 | 111.6 | D1749 L1753 Q1800 R1806 K1807 Y1808 | D1749-Y1804 HydrophobicContact CB-CD1 4.03Å; D1749-Y1804 HydrophobicContact CB-CE1 3.82Å; L1753-Y1804 HydrophobicContact CD1-CD2 4.38Å; L1753-Y1804 HydrophobicContact CD1-CE2 4.42Å; Q1800-Y1804 HydrophobicContact CB-CE2 4.28Å; Q1800-Y1804 WeakPolarHBondContact O-CD2 3.41Å; Q1800-Y1804 PolarHBondContact O-N 3.25Å; Y1804-R1806 PolarHBondContact O-N 2.95Å; Y1804-K1807 PolarHBondContact O-N 2.9Å; Y1804-Y1808 PolarHBondContact O-N 2.87Å |
| 1805 | R | 66.5 | Low | 64.5 | Low | 97 Ų | 97 | 66.3 Ų | 66.3 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 174.2 | -169.8 | 178.9 | -172.9 | -153.8 | -5.8 | 113.1 | D1689 I1801 H1803 H1809 | D1689-R1805 IonicContact OD1-CZ 3.7Å; D1689-R1805 VanDerWaalsContact OD1-CZ 3.27Å; D1689-R1805 IonicContact OD1-NE 3.97Å; D1689-R1805 PolarHBondContact OD1-NE 3.39Å; D1689-R1805 IonicContact OD1-NH2 3.42Å; D1689-R1805 PolarHBondContact OD1-NH2 2.98Å; D1689-R1805 VanDerWaalsContact OD1-NH2 3.09Å; D1689-R1805 IonicContact OD2-NH2 3.65Å; I1801-R1805 VanDerWaalsContact O-CB 3.23Å; I1801-R1805 WeakPolarHBondContact O-CB 3.31Å; I1801-R1805 PolarHBondContact O-N 2.82Å; H1803-R1805 VanDerWaalsContact C-N 3.31Å; H1803-R1805 PolarHBondContact O-N 3.36Å; R1805-H1809 PolarHBondContact O-CD2 3.19Å; R1805-H1809 PolarHBondContact O-N 2.76Å; R1805-H1809 VanDerWaalsContact O-N 3.09Å |
| 1806 | R | 71.6 | Confident | 65 | Low | 142 Ų | 142 | 64 Ų | 64 | 54% | 0.536 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 174.9 | -78.8 | 175.6 | 178.3 | -162.9 | -0.9 | 111.5 | E344 K1802 H1803 Y1804 H1809 Q1810 | E344-R1806 IonicContact OE1-CZ 2.68Å; E344-R1806 IonicContact OE1-NH1 3.1Å; E344-R1806 PolarHBondContact OE1-NH1 3.44Å; K1802-R1806 WeakPolarHBondContact O-CB 3.23Å; K1802-R1806 VanDerWaalsContact O-CG 3.31Å; K1802-R1806 WeakPolarHBondContact O-CG 3.36Å; K1802-R1806 PolarHBondContact O-N 2.93Å; H1803-R1806 WeakPolarHBondContact O-CB 3.44Å; H1803-R1806 PolarHBondContact O-N 3.26Å; H1803-R1806 VanDerWaalsContact O-N 3.11Å; Y1804-R1806 PolarHBondContact O-N 2.95Å; R1806-H1809 PolarHBondContact O-N 3.25Å; R1806-Q1810 WeakPolarHBondContact O-CG 3.32Å; R1806-Q1810 PolarHBondContact O-N 3.4Å |
| 1807 | K | 65.3 | Low | 65.4 | Low | 69 Ų | 69 | 66.9 Ų | 66.9 | 30% | 0.3 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 177.3 | -81.4 | -175.6 | 167.4 | 173.1 | 0 | 112.2 | D1749 H1803 Y1804 H1809 Q1810 L1811 | D1749-K1807 VanDerWaalsContact CG-NZ 3.27Å; D1749-K1807 IonicContact OD1-NZ 2.93Å; D1749-K1807 PolarHBondContact OD1-NZ 3.43Å; D1749-K1807 VanDerWaalsContact OD1-NZ 3.1Å; D1749-K1807 WeakPolarHBondContact OD2-CD 3.29Å; D1749-K1807 WeakPolarHBondContact OD2-CE 3.43Å; D1749-K1807 IonicContact OD2-NZ 2.59Å; D1749-K1807 PolarHBondContact OD2-NZ 3.5Å; H1803-K1807 WeakPolarHBondContact NE2-CE 3.49Å; H1803-K1807 PolarHBondContact NE2-NZ 3.21Å; H1803-K1807 PolarHBondContact O-N 3.06Å; Y1804-K1807 PolarHBondContact O-N 2.9Å; K1807-H1809 PolarHBondContact O-N 2.92Å; K1807-Q1810 WeakPolarHBondContact O-CB 3.3Å; K1807-Q1810 PolarHBondContact O-N 2.93Å; K1807-Q1810 VanDerWaalsContact O-N 3.16Å; K1807-L1811 PolarHBondContact O-N 3.43Å |
| 1808 | Y | 63.7 | Low | 65.7 | Low | 24 Ų | 24 | 69.7 Ų | 69.7 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.4 | -97.5 | -86 | 0 | 0 | 0 | 113 | M1688 I1746 S1750 Y1804 L1812 | M1688-Y1808 HydrophobicContact CE-CD2 4.18Å; M1688-Y1808 HydrophobicContact CE-CE2 3.6Å; M1688-Y1808 HydrophobicContact CG-CD1 4.24Å; M1688-Y1808 HydrophobicContact CG-CE1 3.86Å; I1746-Y1808 HydrophobicContact CG2-CE1 4.17Å; I1746-Y1808 HydrophobicContact CG2-CE2 4.33Å; S1750-Y1808 PolarHBondContact OG-OH 3.43Å; Y1804-Y1808 PolarHBondContact O-N 2.87Å; Y1808-L1812 PolarHBondContact O-N 3.41Å; Y1808-L1812 VanDerWaalsContact O-N 3.08Å |
| 1809 | H | 67.9 | Low | 65.7 | Low | 74 Ų | 74 | 67.9 Ų | 67.9 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.1 | -33.1 | 172.6 | -76.9 | -45.6 | 0 | 0 | 0 | 113.5 | D1689 R1805 R1806 K1807 L1812 Q1813 | D1689-H1809 IonicContact OD1-CE1 3.69Å; D1689-H1809 IonicContact OD1-NE2 3.6Å; D1689-H1809 IonicContact OD2-CE1 2.71Å; D1689-H1809 PolarHBondContact OD2-CE1 2.7Å; D1689-H1809 IonicContact OD2-NE2 3.74Å; R1805-H1809 PolarHBondContact O-CD2 3.19Å; R1805-H1809 PolarHBondContact O-N 2.76Å; R1805-H1809 VanDerWaalsContact O-N 3.09Å; R1806-H1809 PolarHBondContact O-N 3.25Å; K1807-H1809 PolarHBondContact O-N 2.92Å; H1809-L1812 PolarHBondContact O-N 3.1Å; H1809-Q1813 WeakPolarHBondContact O-CB 3.32Å; H1809-Q1813 PolarHBondContact O-N 3.25Å |
| 1810 | Q | 68.8 | Low | 66 | Low | 126 Ų | 126 | 72.2 Ų | 72.2 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 173.6 | -76.9 | 175.4 | -35.5 | 0 | 0 | 111.7 | R1806 K1807 Q1813 S1814 | R1806-Q1810 WeakPolarHBondContact O-CG 3.32Å; R1806-Q1810 PolarHBondContact O-N 3.4Å; K1807-Q1810 WeakPolarHBondContact O-CB 3.3Å; K1807-Q1810 PolarHBondContact O-N 2.93Å; K1807-Q1810 VanDerWaalsContact O-N 3.16Å; Q1810-Q1813 PolarHBondContact O-N 2.96Å; Q1810-S1814 PolarHBondContact O-N 3.31Å |
| 1811 | L | 62 | Low | 66.2 | Low | 34 Ų | 34 | 73 Ų | 73 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -52.1 | 171.3 | -179.8 | 69.5 | 0 | 0 | 0 | 110.9 | V1742 I1746 K1807 Q1813 S1814 V1815 | V1742-L1811 HydrophobicContact CG1-CD1 4.02Å; I1746-L1811 HydrophobicContact CD1-CD1 3.79Å; I1746-L1811 HydrophobicContact CD1-CD2 3.38Å; I1746-L1811 HydrophobicContact CD1-CG 4.11Å; I1746-L1811 HydrophobicContact CG1-CD2 4.2Å; K1807-L1811 PolarHBondContact O-N 3.43Å; L1811-Q1813 PolarHBondContact O-N 2.82Å; L1811-S1814 PolarHBondContact O-N 3.49Å; L1811-S1814 PolarHBondContact O-OG 2.82Å; L1811-V1815 HydrophobicContact CD1-CG2 4.34Å; L1811-V1815 HydrophobicContact CG-CG2 4.37Å; L1811-V1815 WeakPolarHBondContact O-CG2 3.32Å; L1811-V1815 PolarHBondContact O-N 3.07Å |
| 1812 | L | 65.6 | Low | 66.1 | Low | 29 Ų | 29 | 74.7 Ų | 74.7 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.8 | -43.6 | 178.9 | -172.1 | 68.8 | 0 | 0 | 0 | 111.3 | H1682 A1685 Y1808 H1809 S1814 V1815 D1816 | H1682-L1812 HydrophobicContact CB-CD1 4.35Å; A1685-L1812 HydrophobicContact CB-CD1 4.12Å; A1685-L1812 HydrophobicContact CB-CD2 4.21Å; Y1808-L1812 PolarHBondContact O-N 3.41Å; Y1808-L1812 VanDerWaalsContact O-N 3.08Å; H1809-L1812 PolarHBondContact O-N 3.1Å; L1812-S1814 PolarHBondContact O-N 3.43Å; L1812-V1815 PolarHBondContact O-N 2.98Å; L1812-D1816 WeakPolarHBondContact O-CB 3.48Å; L1812-D1816 PolarHBondContact O-N 2.9Å |
| 1813 | Q | 70.6 | Confident | 66 | Low | 123 Ų | 123 | 70.6 Ų | 70.6 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.2 | -37.4 | 176.4 | -170 | 175.6 | 13.2 | 0 | 0 | 112.7 | H1809 Q1810 L1811 I1817 | H1809-Q1813 WeakPolarHBondContact O-CB 3.32Å; H1809-Q1813 PolarHBondContact O-N 3.25Å; Q1810-Q1813 PolarHBondContact O-N 2.96Å; L1811-Q1813 PolarHBondContact O-N 2.82Å; Q1813-I1817 HydrophobicContact CG-CD1 4.21Å; Q1813-I1817 WeakPolarHBondContact O-CD1 3.24Å; Q1813-I1817 WeakPolarHBondContact O-CG1 3.36Å; Q1813-I1817 PolarHBondContact O-N 3.39Å |
| 1814 | S | 62.1 | Low | 65.9 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 175.2 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | Q1810 L1811 L1812 I1817 V1818 | Q1810-S1814 PolarHBondContact O-N 3.31Å; L1811-S1814 PolarHBondContact O-N 3.49Å; L1811-S1814 PolarHBondContact O-OG 2.82Å; L1812-S1814 PolarHBondContact O-N 3.43Å; S1814-I1817 PolarHBondContact O-N 3.4Å; S1814-V1818 WeakPolarHBondContact O-CG2 3.41Å; S1814-V1818 PolarHBondContact O-N 2.97Å |
| 1815 | V | 62.5 | Low | 66.2 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L1681 F1738 L1811 L1812 I1817 V1818 T1819 | L1681-V1815 HydrophobicContact CD1-CG1 4.02Å; L1681-V1815 HydrophobicContact CD1-CG2 4.12Å; F1738-V1815 HydrophobicContact CE1-CG2 4.07Å; F1738-V1815 HydrophobicContact CZ-CG2 4.46Å; L1811-V1815 HydrophobicContact CD1-CG2 4.34Å; L1811-V1815 HydrophobicContact CG-CG2 4.37Å; L1811-V1815 WeakPolarHBondContact O-CG2 3.32Å; L1811-V1815 PolarHBondContact O-N 3.07Å; L1812-V1815 PolarHBondContact O-N 2.98Å; V1815-I1817 VanDerWaalsContact C-N 3.34Å; V1815-I1817 PolarHBondContact O-N 3.39Å; V1815-V1818 PolarHBondContact O-N 2.79Å; V1815-T1819 VanDerWaalsContact O-CB 3.3Å; V1815-T1819 WeakPolarHBondContact O-CB 3.34Å; V1815-T1819 PolarHBondContact O-N 3.14Å; V1815-T1819 PolarHBondContact O-OG1 2.67Å |
| 1816 | D | 67 | Low | 66.2 | Low | 68 Ų | 68 | 69 Ų | 69 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 172.1 | -79.8 | -21.5 | 0 | 0 | 0 | 112 | H1678 L1812 K1820 | H1678-D1816 IonicContact CD2-OD1 3.99Å; H1678-D1816 IonicContact CE1-OD1 3.65Å; H1678-D1816 IonicContact NE2-OD1 3.87Å; H1678-D1816 PolarHBondContact NE2-OD1 2.95Å; L1812-D1816 WeakPolarHBondContact O-CB 3.48Å; L1812-D1816 PolarHBondContact O-N 2.9Å; D1816-K1820 WeakPolarHBondContact O-CB 3.32Å; D1816-K1820 PolarHBondContact O-N 2.85Å |
| 1817 | I | 69.4 | Low | 66.1 | Low | 89 Ų | 89 | 67.7 Ų | 67.7 | 46% | 0.456 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 175.9 | -72.1 | 162.7 | 0 | 0 | 0 | 111 | Q1813 S1814 V1815 K1820 N1821 | Q1813-I1817 HydrophobicContact CG-CD1 4.21Å; Q1813-I1817 WeakPolarHBondContact O-CD1 3.24Å; Q1813-I1817 WeakPolarHBondContact O-CG1 3.36Å; Q1813-I1817 PolarHBondContact O-N 3.39Å; S1814-I1817 PolarHBondContact O-N 3.4Å; V1815-I1817 VanDerWaalsContact C-N 3.34Å; V1815-I1817 PolarHBondContact O-N 3.39Å; I1817-K1820 PolarHBondContact O-N 3.22Å; I1817-N1821 WeakPolarHBondContact O-CB 3.43Å; I1817-N1821 PolarHBondContact O-N 3.34Å; I1817-N1821 PolarHBondContact O-ND2 3.02Å |
| 1818 | V | 60.7 | Low | 66.4 | Low | 75 Ų | 75 | 68.7 Ų | 68.7 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L1674 S1814 V1815 K1820 N1821 L1822 | L1674-V1818 HydrophobicContact CD2-CG1 4.41Å; S1814-V1818 WeakPolarHBondContact O-CG2 3.41Å; S1814-V1818 PolarHBondContact O-N 2.97Å; V1815-V1818 PolarHBondContact O-N 2.79Å; V1818-K1820 VanDerWaalsContact C-N 3.34Å; V1818-K1820 PolarHBondContact O-N 3.09Å; V1818-N1821 PolarHBondContact O-N 2.89Å; V1818-L1822 WeakPolarHBondContact O-CB 3.43Å; V1818-L1822 PolarHBondContact O-N 2.69Å |
| 1819 | T | 61.8 | Low | 66.4 | Low | 30 Ų | 30 | 71.3 Ų | 71.3 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 178.8 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | H1678 V1815 L1822 A1823 | H1678-T1819 HydrophobicContact CB-CG2 4.49Å; H1678-T1819 PolarHBondContact CD2-OG1 3.26Å; H1678-T1819 VanDerWaalsContact CD2-OG1 3.25Å; V1815-T1819 VanDerWaalsContact O-CB 3.3Å; V1815-T1819 WeakPolarHBondContact O-CB 3.34Å; V1815-T1819 PolarHBondContact O-N 3.14Å; V1815-T1819 PolarHBondContact O-OG1 2.67Å; T1819-L1822 PolarHBondContact O-N 3.02Å; T1819-A1823 WeakPolarHBondContact O-CB 3.47Å; T1819-A1823 PolarHBondContact O-N 3.15Å |
| 1820 | K | 72.1 | Confident | 66.4 | Low | 132 Ų | 132 | 70.5 Ų | 70.5 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 174.9 | -175.6 | -178.1 | 175 | -172.2 | 0 | 112 | D1816 I1817 V1818 L1822 A1823 D1824 | D1816-K1820 WeakPolarHBondContact O-CB 3.32Å; D1816-K1820 PolarHBondContact O-N 2.85Å; I1817-K1820 PolarHBondContact O-N 3.22Å; V1818-K1820 VanDerWaalsContact C-N 3.34Å; V1818-K1820 PolarHBondContact O-N 3.09Å; K1820-L1822 PolarHBondContact O-N 3.08Å; K1820-A1823 PolarHBondContact O-N 3.38Å; K1820-D1824 WeakPolarHBondContact O-CB 3.39Å; K1820-D1824 VanDerWaalsContact O-CG 3.32Å; K1820-D1824 PolarHBondContact O-N 2.91Å |
| 1821 | N | 67.3 | Low | 66.4 | Low | 90 Ų | 90 | 67.5 Ų | 67.5 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 177.8 | -71.1 | -16.2 | 0 | 0 | 0 | 111.4 | I1817 V1818 T1825 | I1817-N1821 WeakPolarHBondContact O-CB 3.43Å; I1817-N1821 PolarHBondContact O-N 3.34Å; I1817-N1821 PolarHBondContact O-ND2 3.02Å; V1818-N1821 PolarHBondContact O-N 2.89Å; N1821-T1825 VanDerWaalsContact O-CB 3.27Å; N1821-T1825 WeakPolarHBondContact O-CB 3.49Å; N1821-T1825 PolarHBondContact O-N 3.39Å; N1821-T1825 PolarHBondContact O-OG1 3.05Å |
| 1822 | L | 62.7 | Low | 66.7 | Low | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 176.2 | -167.1 | 75.8 | 0 | 0 | 0 | 112.2 | I1671 L1674 V1818 T1819 K1820 T1825 T1826 | I1671-L1822 HydrophobicContact CG1-CD2 4.04Å; I1671-L1822 HydrophobicContact CG1-CG 4.43Å; L1674-L1822 HydrophobicContact CB-CD2 4.2Å; L1674-L1822 HydrophobicContact CD1-CD2 3.76Å; L1674-L1822 HydrophobicContact CG-CD2 4.38Å; V1818-L1822 WeakPolarHBondContact O-CB 3.43Å; V1818-L1822 PolarHBondContact O-N 2.69Å; T1819-L1822 PolarHBondContact O-N 3.02Å; K1820-L1822 PolarHBondContact O-N 3.08Å; L1822-T1825 PolarHBondContact O-N 2.9Å; L1822-T1826 WeakPolarHBondContact O-CB 3.5Å; L1822-T1826 PolarHBondContact O-N 3.39Å; L1822-T1826 PolarHBondContact O-OG1 3.45Å |
| 1823 | A | 65 | Low | 66.5 | Low | 50 Ų | 50 | 73 Ų | 73 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1819 K1820 T1825 T1826 D1827 | T1819-A1823 WeakPolarHBondContact O-CB 3.47Å; T1819-A1823 PolarHBondContact O-N 3.15Å; K1820-A1823 PolarHBondContact O-N 3.38Å; A1823-T1825 VanDerWaalsContact C-N 3.26Å; A1823-T1825 PolarHBondContact O-N 3.24Å; A1823-T1826 PolarHBondContact O-N 2.85Å; A1823-T1826 VanDerWaalsContact O-N 3.09Å; A1823-D1827 PolarHBondContact O-N 2.86Å |
| 1824 | D | 69.8 | Low | 66.4 | Low | 79 Ų | 79 | 70.6 Ų | 70.6 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 174.4 | -71.1 | -19.9 | 0 | 0 | 0 | 110.8 | K1820 V1828 | K1820-D1824 WeakPolarHBondContact O-CB 3.39Å; K1820-D1824 VanDerWaalsContact O-CG 3.32Å; K1820-D1824 PolarHBondContact O-N 2.91Å; D1824-V1828 WeakPolarHBondContact O-CB 3.05Å; D1824-V1828 VanDerWaalsContact O-CG2 3.23Å; D1824-V1828 WeakPolarHBondContact O-CG2 3.42Å; D1824-V1828 PolarHBondContact O-N 3.47Å |
| 1825 | T | 68.3 | Low | 66.6 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | N1821 L1822 A1823 V1828 I1829 | N1821-T1825 VanDerWaalsContact O-CB 3.27Å; N1821-T1825 WeakPolarHBondContact O-CB 3.49Å; N1821-T1825 PolarHBondContact O-N 3.39Å; N1821-T1825 PolarHBondContact O-OG1 3.05Å; L1822-T1825 PolarHBondContact O-N 2.9Å; A1823-T1825 VanDerWaalsContact C-N 3.26Å; A1823-T1825 PolarHBondContact O-N 3.24Å; T1825-V1828 PolarHBondContact O-N 3.25Å; T1825-I1829 HydrophobicContact CG2-CD1 3.99Å; T1825-I1829 HydrophobicContact CG2-CG1 4.46Å; T1825-I1829 WeakPolarHBondContact O-CB 3.48Å; T1825-I1829 VanDerWaalsContact O-CG1 3.31Å; T1825-I1829 WeakPolarHBondContact O-CG1 3.36Å; T1825-I1829 PolarHBondContact O-N 3.49Å |
| 1826 | T | 66.9 | Low | 66.6 | Low | 39 Ų | 39 | 80.7 Ų | 80.7 | 24% | 0.239 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.2 | -39.7 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | I1671 L1822 A1823 I1829 S1830 | I1671-T1826 HydrophobicContact CD1-CG2 3.99Å; I1671-T1826 WeakPolarHBondContact CD1-OG1 3.48Å; L1822-T1826 WeakPolarHBondContact O-CB 3.5Å; L1822-T1826 PolarHBondContact O-N 3.39Å; L1822-T1826 PolarHBondContact O-OG1 3.45Å; A1823-T1826 PolarHBondContact O-N 2.85Å; A1823-T1826 VanDerWaalsContact O-N 3.09Å; T1826-I1829 PolarHBondContact O-N 2.88Å; T1826-S1830 VanDerWaalsContact O-CB 3.24Å; T1826-S1830 WeakPolarHBondContact O-CB 3.18Å; T1826-S1830 PolarHBondContact O-N 2.96Å; T1826-S1830 PolarHBondContact O-OG 3.34Å |
| 1827 | D | 68.8 | Low | 66.6 | Low | 113 Ų | 113 | 81.2 Ų | 81.2 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 170.9 | -87.8 | -4.9 | 0 | 0 | 0 | 111.3 | A1823 S1831 | A1823-D1827 PolarHBondContact O-N 2.86Å; D1827-S1831 WeakPolarHBondContact O-CB 3.31Å; D1827-S1831 PolarHBondContact O-N 2.84Å |
| 1828 | V | 70.8 | Confident | 66.5 | Low | 91 Ų | 91 | 83.1 Ų | 83.1 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.2 | -44.6 | 173.5 | 166.5 | 0 | 0 | 0 | 0 | 111.5 | D1824 T1825 S1831 T1832 | D1824-V1828 WeakPolarHBondContact O-CB 3.05Å; D1824-V1828 VanDerWaalsContact O-CG2 3.23Å; D1824-V1828 WeakPolarHBondContact O-CG2 3.42Å; D1824-V1828 PolarHBondContact O-N 3.47Å; T1825-V1828 PolarHBondContact O-N 3.25Å; V1828-S1831 PolarHBondContact O-N 3.4Å; V1828-T1832 WeakPolarHBondContact O-CB 3.39Å; V1828-T1832 PolarHBondContact O-N 2.93Å; V1828-T1832 PolarHBondContact O-OG1 3.47Å |
| 1829 | I | 64.8 | Low | 66.9 | Low | 79 Ų | 79 | 85.4 Ų | 85.4 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 177.1 | -71.2 | 169.4 | 0 | 0 | 0 | 110.2 | M1667 T1825 T1826 T1832 R1833 | M1667-I1829 HydrophobicContact CE-CD1 3.85Å; T1825-I1829 HydrophobicContact CG2-CD1 3.99Å; T1825-I1829 HydrophobicContact CG2-CG1 4.46Å; T1825-I1829 WeakPolarHBondContact O-CB 3.48Å; T1825-I1829 VanDerWaalsContact O-CG1 3.31Å; T1825-I1829 WeakPolarHBondContact O-CG1 3.36Å; T1825-I1829 PolarHBondContact O-N 3.49Å; T1826-I1829 PolarHBondContact O-N 2.88Å; I1829-T1832 CarbonylContact O-C 3.58Å; I1829-T1832 PolarHBondContact O-N 3.44Å; I1829-R1833 VanDerWaalsContact O-CB 3.32Å; I1829-R1833 WeakPolarHBondContact O-CB 3.47Å; I1829-R1833 PolarHBondContact O-N 2.97Å |
| 1830 | S | 67.3 | Low | 66.6 | Low | 57 Ų | 57 | 87.2 Ų | 87.2 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | T1826 R1833 T1834 | T1826-S1830 VanDerWaalsContact O-CB 3.24Å; T1826-S1830 WeakPolarHBondContact O-CB 3.18Å; T1826-S1830 PolarHBondContact O-N 2.96Å; T1826-S1830 PolarHBondContact O-OG 3.34Å; S1830-R1833 PolarHBondContact O-N 2.97Å; S1830-T1834 WeakPolarHBondContact O-CB 3.49Å; S1830-T1834 PolarHBondContact O-N 3.23Å; S1830-T1834 PolarHBondContact O-OG1 3.43Å |
| 1831 | S | 69.2 | Low | 65.1 | Low | 62 Ų | 62 | 84 Ų | 84 | 43% | 0.434 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | D1827 V1828 R1835 | D1827-S1831 WeakPolarHBondContact O-CB 3.31Å; D1827-S1831 PolarHBondContact O-N 2.84Å; V1828-S1831 PolarHBondContact O-N 3.4Å; S1831-R1835 VanDerWaalsContact O-CB 3.29Å; S1831-R1835 WeakPolarHBondContact O-CB 3.3Å; S1831-R1835 WeakPolarHBondContact O-CG 3.38Å; S1831-R1835 PolarHBondContact O-N 2.9Å |
| 1832 | T | 67.4 | Low | 64 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 37% | 0.368 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | V1828 I1829 R1835 L1836 | V1828-T1832 WeakPolarHBondContact O-CB 3.39Å; V1828-T1832 PolarHBondContact O-N 2.93Å; V1828-T1832 PolarHBondContact O-OG1 3.47Å; I1829-T1832 CarbonylContact O-C 3.58Å; I1829-T1832 PolarHBondContact O-N 3.44Å; T1832-R1835 CarbonylContact O-C 3.6Å; T1832-R1835 PolarHBondContact O-N 3.2Å; T1832-L1836 HydrophobicContact CG2-CD1 4.07Å; T1832-L1836 HydrophobicContact CG2-CG 4.44Å; T1832-L1836 WeakPolarHBondContact O-CB 3.48Å; T1832-L1836 VanDerWaalsContact O-CG 3.28Å; T1832-L1836 WeakPolarHBondContact O-CG 3.47Å; T1832-L1836 PolarHBondContact O-N 3.37Å |
| 1833 | R | 61.3 | Low | 63 | Low | 120 Ų | 120 | 86.4 Ų | 86.4 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -54 | 170.4 | 177.4 | -177.5 | 176.4 | 154.4 | 12.4 | 110.8 | M1664 I1829 S1830 R1835 L1836 E1837 | M1664-R1833 PolarHBondContact SD-NH1 3.31Å; I1829-R1833 VanDerWaalsContact O-CB 3.32Å; I1829-R1833 WeakPolarHBondContact O-CB 3.47Å; I1829-R1833 PolarHBondContact O-N 2.97Å; S1830-R1833 PolarHBondContact O-N 2.97Å; R1833-R1835 PolarHBondContact O-N 2.95Å; R1833-L1836 CarbonylContact O-C 3.57Å; R1833-L1836 WeakPolarHBondContact O-CA 3.37Å; R1833-L1836 PolarHBondContact O-N 3.31Å; R1833-E1837 HydrophobicContact CG-CG 4.32Å; R1833-E1837 IonicContact CZ-OE1 2.79Å; R1833-E1837 IonicContact NE-OE1 2.64Å; R1833-E1837 PolarHBondContact NE-OE1 3.26Å; R1833-E1837 IonicContact NE-OE2 3.33Å; R1833-E1837 IonicContact NH2-OE1 3.09Å; R1833-E1837 PolarHBondContact NH2-OE1 3.09Å; R1833-E1837 VanDerWaalsContact NH2-OE1 3.1Å; R1833-E1837 WeakPolarHBondContact O-CG 3.35Å; R1833-E1837 PolarHBondContact O-N 2.99Å |
| 1834 | T | 68.6 | Low | 61.6 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.4 | -37.5 | 177.9 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | S1830 N1838 | S1830-T1834 WeakPolarHBondContact O-CB 3.49Å; S1830-T1834 PolarHBondContact O-N 3.23Å; S1830-T1834 PolarHBondContact O-OG1 3.43Å; T1834-N1838 VanDerWaalsContact O-CB 3.27Å; T1834-N1838 WeakPolarHBondContact O-CB 3.29Å; T1834-N1838 VanDerWaalsContact O-CG 3.29Å; T1834-N1838 PolarHBondContact O-N 3.07Å; T1834-N1838 VanDerWaalsContact O-N 3.09Å; T1834-N1838 PolarHBondContact O-ND2 3.12Å |
| 1835 | R | 67.9 | Low | 60.2 | Low | 167 Ų | 167 | 91.5 Ų | 91.5 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.7 | -38 | 173.7 | -76 | 173.8 | 66.3 | -164.1 | -1.6 | 113 | S1831 T1832 R1833 V1839 | S1831-R1835 VanDerWaalsContact O-CB 3.29Å; S1831-R1835 WeakPolarHBondContact O-CB 3.3Å; S1831-R1835 WeakPolarHBondContact O-CG 3.38Å; S1831-R1835 PolarHBondContact O-N 2.9Å; T1832-R1835 CarbonylContact O-C 3.6Å; T1832-R1835 PolarHBondContact O-N 3.2Å; R1833-R1835 PolarHBondContact O-N 2.95Å; R1835-V1839 WeakPolarHBondContact O-CB 3.31Å; R1835-V1839 WeakPolarHBondContact O-CG2 3.28Å; R1835-V1839 PolarHBondContact O-N 2.96Å |
| 1836 | L | 62.4 | Low | 58.7 | Low | 109 Ų | 109 | 93.9 Ų | 93.9 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.5 | -43.1 | 177.4 | -77.2 | 168.5 | 0 | 0 | 0 | 111.5 | T1832 R1833 N1838 V1839 A1840 | T1832-L1836 HydrophobicContact CG2-CD1 4.07Å; T1832-L1836 HydrophobicContact CG2-CG 4.44Å; T1832-L1836 WeakPolarHBondContact O-CB 3.48Å; T1832-L1836 VanDerWaalsContact O-CG 3.28Å; T1832-L1836 WeakPolarHBondContact O-CG 3.47Å; T1832-L1836 PolarHBondContact O-N 3.37Å; R1833-L1836 CarbonylContact O-C 3.57Å; R1833-L1836 WeakPolarHBondContact O-CA 3.37Å; R1833-L1836 PolarHBondContact O-N 3.31Å; L1836-N1838 PolarHBondContact O-N 3.42Å; L1836-V1839 PolarHBondContact O-N 3.06Å; L1836-A1840 WeakPolarHBondContact O-CB 3.37Å; L1836-A1840 PolarHBondContact O-N 2.96Å |
| 1837 | E | 65.5 | Low | 57.2 | Low | 80 Ų | 80 | 97.5 Ų | 97.5 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.5 | -46.4 | 173.1 | -70.2 | 168.8 | 161.4 | 0 | 0 | 110.5 | R1833 V1839 G1841 | R1833-E1837 HydrophobicContact CG-CG 4.32Å; R1833-E1837 IonicContact CZ-OE1 2.79Å; R1833-E1837 IonicContact NE-OE1 2.64Å; R1833-E1837 PolarHBondContact NE-OE1 3.26Å; R1833-E1837 IonicContact NE-OE2 3.33Å; R1833-E1837 IonicContact NH2-OE1 3.09Å; R1833-E1837 PolarHBondContact NH2-OE1 3.09Å; R1833-E1837 VanDerWaalsContact NH2-OE1 3.1Å; R1833-E1837 WeakPolarHBondContact O-CG 3.35Å; R1833-E1837 PolarHBondContact O-N 2.99Å; E1837-V1839 PolarHBondContact O-N 2.94Å; E1837-G1841 PolarHBondContact O-N 2.95Å; E1837-G1841 VanDerWaalsContact O-N 3.16Å |
| 1838 | N | 67.8 | Low | 55.6 | Low | 129 Ų | 129 | 100.3 Ų | 100.3 | 69% | 0.69 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -27.6 | 175.2 | -78.8 | -54.8 | 0 | 0 | 0 | 114.6 | T1834 L1836 | T1834-N1838 VanDerWaalsContact O-CB 3.27Å; T1834-N1838 WeakPolarHBondContact O-CB 3.29Å; T1834-N1838 VanDerWaalsContact O-CG 3.29Å; T1834-N1838 PolarHBondContact O-N 3.07Å; T1834-N1838 VanDerWaalsContact O-N 3.09Å; T1834-N1838 PolarHBondContact O-ND2 3.12Å; L1836-N1838 PolarHBondContact O-N 3.42Å |
| 1839 | V | 70.2 | Confident | 54 | Low | 123 Ų | 123 | 101.7 Ų | 101.7 | 75% | 0.745 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -90.2 | -33.7 | -179 | 166.4 | 0 | 0 | 0 | 0 | 112.2 | R1835 L1836 E1837 | R1835-V1839 WeakPolarHBondContact O-CB 3.31Å; R1835-V1839 WeakPolarHBondContact O-CG2 3.28Å; R1835-V1839 PolarHBondContact O-N 2.96Å; L1836-V1839 PolarHBondContact O-N 3.06Å; E1837-V1839 PolarHBondContact O-N 2.94Å |
| 1840 | A | 53.9 | Low | 52.6 | Low | 68 Ų | 68 | 102.5 Ų | 102.5 | 56% | 0.562 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -80.3 | -17.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1836 V1842 | L1836-A1840 WeakPolarHBondContact O-CB 3.37Å; L1836-A1840 PolarHBondContact O-N 2.96Å; A1840-V1842 HydrophobicContact CB-CG2 3.98Å; A1840-V1842 PolarHBondContact O-N 2.95Å |
| 1841 | G | 40.9 | Very low | 51.1 | Low | 65 Ų | 65 | 105.1 Ų | 105.1 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 14.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1837 S1843 | E1837-G1841 PolarHBondContact O-N 2.95Å; E1837-G1841 VanDerWaalsContact O-N 3.16Å; G1841-S1843 PolarHBondContact O-N 3.29Å |
| 1842 | V | 44.8 | Very low | 49.4 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 53% | 0.527 | 65% | 0.646 | S | S | . | * | trans | -82.6 | 102.8 | 179.3 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | A1840 | A1840-V1842 HydrophobicContact CB-CG2 3.98Å; A1840-V1842 PolarHBondContact O-N 2.95Å | ||
| 1843 | S | 40.9 | Very low | 47.5 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | trans | -62.4 | 144 | 166 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | G1841 I1845 | G1841-S1843 PolarHBondContact O-N 3.29Å; S1843-I1845 PolarHBondContact O-N 3.31Å | ||
| 1844 | P | 37.2 | Very low | 46.9 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | trans | -58.7 | 117.8 | 179.6 | 23.9 | -33.2 | 0 | 0 | 0 | 109.7 | T1846 | P1844-T1846 PolarHBondContact O-N 3.06Å; P1844-T1846 PolarHBondContact O-OG1 3.07Å | ||
| 1845 | I | 38.5 | Very low | 45.7 | Very low | 122 Ų | 122 | 124 Ų | 124 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | -64.5 | 108.8 | -179.9 | -63.7 | 174.4 | 0 | 0 | 0 | 107.5 | S1843 D1847 | S1843-I1845 PolarHBondContact O-N 3.31Å; I1845-D1847 HydrophobicContact CG2-CB 4.28Å; I1845-D1847 VanDerWaalsContact CG2-CG 3.48Å; I1845-D1847 WeakPolarHBondContact CG2-OD2 3.43Å; I1845-D1847 PolarHBondContact O-N 2.89Å | ||
| 1846 | T | 36.9 | Very low | 44.5 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | -95 | 78 | 177.4 | 19 | 0 | 0 | 0 | 0 | 107.8 | P1844 H1848 | P1844-T1846 PolarHBondContact O-N 3.06Å; P1844-T1846 PolarHBondContact O-OG1 3.07Å; T1846-H1848 PolarHBondContact O-N 2.67Å | ||
| 1847 | D | 36.1 | Very low | 43.4 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 87.6 | -172.9 | -96.7 | -28.5 | 0 | 0 | 0 | 113.3 | I1845 S1849 | I1845-D1847 HydrophobicContact CG2-CB 4.28Å; I1845-D1847 VanDerWaalsContact CG2-CG 3.48Å; I1845-D1847 WeakPolarHBondContact CG2-OD2 3.43Å; I1845-D1847 PolarHBondContact O-N 2.89Å; D1847-S1849 PolarHBondContact O-N 2.93Å | ||
| 1848 | H | 35.2 | Very low | 42 | Very low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | 26.2 | 71.8 | 119 | -62.8 | -60.8 | 0 | 0 | 0 | 118 | T1846 | T1846-H1848 PolarHBondContact O-N 2.67Š| |||
| 1849 | S | 37 | Very low | 40.3 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -122.3 | 9.2 | 163.8 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | D1847 | D1847-S1849 PolarHBondContact O-N 2.93Š| ||
| 1850 | A | 35.7 | Very low | 38.2 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -99.6 | 32.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1851 | S | 35.1 | Very low | 37 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -105.9 | 28.1 | 179.7 | -171.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1852 | M | 33.6 | Very low | 36.7 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | trans | -132.9 | 32.3 | 170.6 | -103.5 | -164.2 | 166.9 | 0 | 0 | 113.7 | ||||
| 1853 | K | 28.9 | Very low | 35.9 | Very low | 272 Ų | 272 | 138.9 Ų | 138.9 | 100% | 1.183 | 79% | 0.792 | S | S | * | * | trans | -165.5 | 0 | 147.5 | -113.3 | 169.5 | -174.9 | 176.8 | 0 | 111.9 |
Retrieved 1,853 of 1,853 residues in 441.5 ms
(Link to these results)