| 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 | 43.7 | Very low | 40.9 | Very low | 243 Ų | 243 | 164.5 Ų | 164.5 | 100% | 1.197 | 83% | 0.83 | S | S | * | * | 0 | 136.3 | 0 | -79.6 | 81.1 | 167.5 | 0 | 0 | 109.6 | |||||
| 2 | N | 39.8 | Very low | 40.8 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -87.3 | 158.5 | 174.2 | -70.7 | -44.3 | 0 | 0 | 0 | 111.8 | ||||
| 3 | R | 39 | Very low | 41.4 | Very low | 228 Ų | 228 | 166.6 Ų | 166.6 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | 101.8 | 140 | 147.9 | -59 | -174.2 | 160.2 | 143.6 | -4.5 | 118.3 | ||||
| 4 | I | 41 | Very low | 41.4 | Very low | 121 Ų | 121 | 165.3 Ų | 165.3 | 62% | 0.621 | 83% | 0.829 | S | S | * | * | cis | -173.5 | 146 | -8.5 | -106.1 | 164.6 | 0 | 0 | 0 | 108.4 | ||||
| 5 | R | 44 | Very low | 42.1 | Very low | 204 Ų | 204 | 171.1 Ų | 171.1 | 77% | 0.77 | 84% | 0.838 | S | S | * | * | trans | 54.6 | 146.2 | 148.9 | -74.6 | 174.6 | 169 | 135.7 | -3.4 | 121.4 | ||||
| 6 | I | 44 | Very low | 42.1 | Very low | 162 Ų | 162 | 168.6 Ų | 168.6 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | -151.4 | 146 | 66 | -71.3 | 160.2 | 0 | 0 | 0 | 112.8 | |||||
| 7 | H | 41.9 | Very low | 42.4 | Very low | 162 Ų | 162 | 165.1 Ų | 165.1 | 75% | 0.75 | 83% | 0.83 | S | S | * | * | trans | -81.4 | 146.6 | 172.4 | -84.5 | -100.9 | 0 | 0 | 0 | 112.7 | ||||
| 8 | V | 41 | Very low | 42.4 | Very low | 141 Ų | 141 | 166.8 Ų | 166.8 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -131.9 | 133.5 | 154.3 | -176.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | L | 37.7 | Very low | 42.3 | Very low | 156 Ų | 156 | 164.9 Ų | 164.9 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 164.1 | -176 | -76.3 | 160.2 | 0 | 0 | 0 | 113.5 | ||
| 10 | P | 41.3 | Very low | 42.6 | Very low | 121 Ų | 121 | 161.5 Ų | 161.5 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.8 | -176.5 | 30.8 | -32.6 | 0 | 0 | 0 | 112.7 | ||
| 11 | S | 36.1 | Very low | 42.7 | Very low | 117 Ų | 117 | 164.7 Ų | 164.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 118.6 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | R13 | S11-R13 PolarHBondContact O-N 3.38Š|
| 12 | S | 40.2 | Very low | 42.9 | Very low | 106 Ų | 106 | 159 Ų | 159 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.1 | 170.1 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 13 | R | 48.3 | Very low | 43.7 | Very low | 250 Ų | 250 | 159.6 Ų | 159.6 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 130.1 | 163.6 | -93.2 | -177 | 173 | 177.3 | -1.7 | 110.1 | S11 | S11-R13 PolarHBondContact O-N 3.38Š|
| 14 | N | 41.3 | Very low | 44.6 | Very low | 148 Ų | 148 | 157 Ų | 157 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -45.2 | 146.6 | 179.3 | -73.5 | -27.4 | 0 | 0 | 0 | 114.8 | V16 | N14-V16 PolarHBondContact O-N 2.86Å; N14-V16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | R | 52.3 | Low | 45.5 | Very low | 253 Ų | 253 | 156.4 Ų | 156.4 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | trans | -48.6 | 115.8 | 159 | -81.8 | -178.6 | -175 | -160.2 | 0.1 | 109.5 | ||||
| 16 | V | 42.2 | Very low | 47 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -97.5 | 123.3 | 160.2 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | N14 Q18 | N14-V16 PolarHBondContact O-N 2.86Å; N14-V16 VanDerWaalsContact O-N 3.16Å; V16-Q18 PolarHBondContact O-N 3.45Å | ||
| 17 | S | 46.4 | Very low | 48.9 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -51.5 | 131.3 | 170.9 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | T19 | S17-T19 PolarHBondContact O-N 3.25Š| ||
| 18 | Q | 42.9 | Very low | 51.1 | Low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -56.1 | 113.8 | 175.4 | -64.7 | 177.5 | 13.3 | 0 | 0 | 109.1 | V16 A20 | V16-Q18 PolarHBondContact O-N 3.45Å; Q18-A20 PolarHBondContact O-N 2.98Å | ||
| 19 | T | 40.3 | Very low | 53.2 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125.7 | 166.9 | 47.3 | 0 | 0 | 0 | 0 | 108.4 | S17 R21 | S17-T19 PolarHBondContact O-N 3.25Å; T19-R21 PolarHBondContact O-N 3.34Å |
| 20 | A | 48.8 | Very low | 55.4 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q18 | Q18-A20 PolarHBondContact O-N 2.98Š|
| 21 | R | 45.7 | Very low | 57.2 | Low | 228 Ų | 228 | 128.9 Ų | 128.9 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.1 | 174.3 | -160.3 | 177.9 | -173.3 | -178.4 | 1 | 109.1 | T19 Q23 | T19-R21 PolarHBondContact O-N 3.34Å; R21-Q23 PolarHBondContact O-N 3.38Å |
| 22 | P | 47 | Very low | 59.3 | Low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | trans | -63.3 | 110.6 | 173 | 23.8 | -29.4 | 0 | 0 | 0 | 108.1 | ||||
| 23 | Q | 56.5 | Low | 61.3 | Low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | trans | -65.1 | 133.9 | 170.6 | -74.7 | -174.3 | -17.1 | 0 | 0 | 108 | R21 | R21-Q23 PolarHBondContact O-N 3.38Š| ||
| 24 | E | 57 | Low | 62.7 | Low | 175 Ų | 175 | 129.5 Ų | 129.5 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -54.1 | 137.3 | 173.3 | -75.4 | -178.6 | 134.9 | 0 | 0 | 109.9 | Q26 | E24-Q26 PolarHBondContact O-N 2.94Š| ||
| 25 | P | 59.8 | Low | 64.8 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | trans | -62.6 | 102.8 | -178.3 | 24.2 | -32.1 | 0 | 0 | 0 | 109.6 | A27 P38 | P25-A27 PolarHBondContact O-N 3.39Å; P25-P38 HydrophobicContact CB-CB 4.16Å | ||
| 26 | Q | 75.8 | Confident | 66.4 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 134.9 | 177 | -67.1 | 177.9 | 8.5 | 0 | 0 | 109.4 | E24 R39 | E24-Q26 PolarHBondContact O-N 2.94Å; Q26-R39 WeakPolarHBondContact O-CB 3.41Å; Q26-R39 VanDerWaalsContact O-CG 3.27Å; Q26-R39 WeakPolarHBondContact O-CG 3.33Å; Q26-R39 PolarHBondContact O-N 3.41Å |
| 27 | A | 84.6 | Confident | 68.5 | Low | 53 Ų | 53 | 115.4 Ų | 115.4 | 44% | 0.438 | 63% | 0.626 | S | S | . | * | B | Isolated β-bridge | trans | -71.7 | 145.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P25 A29 R39 | P25-A27 PolarHBondContact O-N 3.39Å; A27-A29 PolarHBondContact O-N 3.32Å; A27-R39 PolarHBondContact O-NE 2.82Å; A27-R39 PolarHBondContact O-NH2 3.09Å; A27-R39 VanDerWaalsContact O-NH2 3.09Å |
| 28 | C | 88.6 | Confident | 70.4 | Confident | 9 Ų | 9 | 113.5 Ų | 113.5 | 6% | 0.061 | 61% | 0.612 | C | S | . | * | P | Polyproline II helix | trans | -49 | 130 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 113 | F30 C35 Q37 C46 H49 | C28-F30 PolarHBondContact O-N 2.96Å; C28-C35 HydrophobicContact CB-CB 3.81Å; C28-Q37 WeakPolarHBondContact CB-O 3.44Å; C28-Q37 PolarHBondContact N-O 2.85Å; C28-C46 HydrophobicContact CB-CB 4Å; C28-C46 PolarHBondContact SG-N 2.84Å; C28-H49 PolarHBondContact SG-ND1 2.73Å; C28-H49 VanDerWaalsContact SG-ND1 3.42Å |
| 29 | A | 85.1 | Confident | 72.5 | Confident | 36 Ų | 36 | 107.8 Ų | 107.8 | 30% | 0.298 | 58% | 0.582 | S | S | . | * | trans | -77.5 | 30.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | A27 T31 D44 | A27-A29 PolarHBondContact O-N 3.32Å; A29-T31 PolarHBondContact O-N 3.42Å; A29-D44 HydrophobicContact CB-CB 4.03Å; A29-D44 VanDerWaalsContact CB-O 3.27Å; A29-D44 WeakPolarHBondContact CB-O 3.5Å; A29-D44 PolarHBondContact N-O 3.44Å | ||
| 30 | F | 83.8 | Confident | 74.6 | Confident | 28 Ų | 28 | 103.7 Ų | 103.7 | 12% | 0.123 | 56% | 0.555 | C | S | . | * | trans | -71.3 | 122 | -178.6 | -177.5 | -130.7 | 0 | 0 | 0 | 110.5 | C28 Q32 R33 C35 H49 E52 | C28-F30 PolarHBondContact O-N 2.96Å; F30-Q32 HydrophobicContact CE1-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CG 3.78Å; F30-Q32 HydrophobicContact CZ-CB 3.48Å; F30-Q32 VanDerWaalsContact CZ-CB 3.48Å; F30-Q32 HydrophobicContact CZ-CG 3.79Å; F30-R33 HydrophobicContact CD1-CB 4.24Å; F30-R33 WeakPolarHBondContact CD1-O 3.26Å; F30-R33 HydrophobicContact CE1-CB 4.06Å; F30-R33 VanDerWaalsContact O-O 3.14Å; F30-C35 HydrophobicContact CB-CB 4.16Å; F30-H49 AromaticContact CD1-CE1 3.56Å; F30-H49 AromaticContact CD1-NE2 3.73Å; F30-H49 AromaticContact CE1-NE2 3.9Å; F30-H49 AromaticContact CG-CE1 3.87Å; F30-H49 AromaticContact CG-ND1 3.83Å; F30-E52 WeakPolarHBondContact CD2-OE2 3.1Å; F30-E52 WeakPolarHBondContact CE2-OE1 2.91Å; F30-E52 WeakPolarHBondContact CE2-OE2 3.48Å | ||
| 31 | T | 78.4 | Confident | 76.1 | Confident | 132 Ų | 132 | 108.2 Ų | 108.2 | 81% | 0.81 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -88.4 | -23 | -169.3 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | A29 | A29-T31 PolarHBondContact O-N 3.42Š|
| 32 | Q | 80.4 | Confident | 77.7 | Confident | 158 Ų | 158 | 101.3 Ų | 101.3 | 74% | 0.738 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -80.1 | -28.6 | -177.6 | -49 | -172.4 | 11.3 | 0 | 0 | 112.6 | F30 | F30-Q32 HydrophobicContact CE1-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CB 3.92Å; F30-Q32 HydrophobicContact CE2-CG 3.78Å; F30-Q32 HydrophobicContact CZ-CB 3.48Å; F30-Q32 VanDerWaalsContact CZ-CB 3.48Å; F30-Q32 HydrophobicContact CZ-CG 3.79Å |
| 33 | R | 81.9 | Confident | 79.4 | Confident | 196 Ų | 196 | 97.8 Ų | 97.8 | 74% | 0.74 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -148.9 | 139.5 | 171.7 | -67.1 | -170.5 | 177.8 | 177.5 | -0.7 | 110.2 | F30 C35 | F30-R33 HydrophobicContact CD1-CB 4.24Å; F30-R33 WeakPolarHBondContact CD1-O 3.26Å; F30-R33 HydrophobicContact CE1-CB 4.06Å; F30-R33 VanDerWaalsContact O-O 3.14Å; R33-C35 PolarHBondContact O-N 2.93Å; R33-C35 VanDerWaalsContact O-N 3.12Å |
| 34 | P | 78.3 | Confident | 80.8 | Confident | 132 Ų | 132 | 94.1 Ų | 94.1 | 86% | 0.857 | 52% | 0.517 | S | S | * | . | trans | -62.2 | 119.1 | 177.2 | 25.9 | -33.1 | 0 | 0 | 0 | 110 | ||||
| 35 | C | 85.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 87.7 Ų | 87.7 | 14% | 0.142 | 49% | 0.486 | C | S | . | . | trans | -107 | 118.2 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | C28 F30 R33 Q37 H49 | C28-C35 HydrophobicContact CB-CB 3.81Å; F30-C35 HydrophobicContact CB-CB 4.16Å; R33-C35 PolarHBondContact O-N 2.93Å; R33-C35 VanDerWaalsContact O-N 3.12Å; C35-Q37 PolarHBondContact O-N 2.79Å; C35-H49 VanDerWaalsContact SG-CE1 3.51Å | ||
| 36 | T | 85.4 | Confident | 83.6 | Confident | 131 Ų | 131 | 82.7 Ų | 82.7 | 80% | 0.804 | 45% | 0.454 | S | S | * | . | trans | -82.4 | 3 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | Q | 85.3 | Confident | 84 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -72.6 | 143.7 | 179.5 | -67.4 | -69.2 | -29.1 | 0 | 0 | 110.7 | C28 C35 C46 | C28-Q37 WeakPolarHBondContact CB-O 3.44Å; C28-Q37 PolarHBondContact N-O 2.85Å; C35-Q37 PolarHBondContact O-N 2.79Å; Q37-C46 HydrophobicContact CB-CB 3.58Å |
| 38 | P | 86.8 | Confident | 84 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -63.2 | 142.3 | 176.9 | 27.9 | -34.4 | 0 | 0 | 0 | 110.3 | P25 C46 | P25-P38 HydrophobicContact CB-CB 4.16Å; P38-C46 WeakPolarHBondContact O-CA 3.39Å; P38-C46 WeakPolarHBondContact O-CB 3.27Å |
| 39 | R | 88.2 | Confident | 83.9 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 28% | 0.283 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 147.6 | 168.6 | -75.7 | 177.4 | -166.8 | -164.4 | 11.6 | 110.8 | Q26 A27 F43 D44 | Q26-R39 WeakPolarHBondContact O-CB 3.41Å; Q26-R39 VanDerWaalsContact O-CG 3.27Å; Q26-R39 WeakPolarHBondContact O-CG 3.33Å; Q26-R39 PolarHBondContact O-N 3.41Å; A27-R39 PolarHBondContact O-NE 2.82Å; A27-R39 PolarHBondContact O-NH2 3.09Å; A27-R39 VanDerWaalsContact O-NH2 3.09Å; R39-F43 WeakPolarHBondContact CB-O 3.08Å; R39-D44 WeakPolarHBondContact CG-O 3.44Å; R39-D44 IonicContact CZ-OD1 3.65Å; R39-D44 PolarHBondContact NE-O 3.42Å; R39-D44 IonicContact NH1-OD1 3.51Å; R39-D44 PolarHBondContact NH1-OD1 3.5Å |
| 40 | L | 82.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 145.2 | 168.1 | -71.8 | 173 | 0 | 0 | 0 | 109.7 | G42 F43 F45 I47 I50 | L40-G42 PolarHBondContact O-N 2.75Å; L40-G42 VanDerWaalsContact O-N 3.11Å; L40-F43 HydrophobicContact CB-CB 4.34Å; L40-F43 HydrophobicContact CB-CD2 4.14Å; L40-F43 PolarHBondContact O-N 3.43Å; L40-F43 VanDerWaalsContact O-O 3.12Å; L40-F45 PolarHBondContact N-O 2.9Å; L40-I47 HydrophobicContact CD1-CB 3.94Å; L40-I47 HydrophobicContact CD1-CD1 3.84Å; L40-I47 HydrophobicContact CD1-CG1 4.49Å; L40-I47 HydrophobicContact CD2-CB 4.31Å; L40-I47 HydrophobicContact CG-CB 4.43Å; L40-I50 HydrophobicContact CB-CD1 4.37Å; L40-I50 HydrophobicContact CD1-CB 4.17Å; L40-I50 HydrophobicContact CD1-CD1 3.29Å; L40-I50 HydrophobicContact CD1-CG1 4.31Å; L40-I50 HydrophobicContact CD1-CG2 4.38Å; L40-I50 HydrophobicContact CG-CD1 4.43Å |
| 41 | E | 80.9 | Confident | 84.2 | Confident | 192 Ų | 192 | 87.7 Ų | 87.7 | 90% | 0.897 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 119 | -178.7 | -68.3 | 179.4 | -178.9 | 0 | 0 | 110.5 | F43 | E41-F43 WeakPolarHBondContact O-CD2 3.01Š|
| 42 | G | 79.3 | Confident | 84.5 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 86% | 0.856 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 3.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L40 | L40-G42 PolarHBondContact O-N 2.75Å; L40-G42 VanDerWaalsContact O-N 3.11Å |
| 43 | F | 83.1 | Confident | 84.6 | Confident | 51 Ų | 51 | 79.7 Ų | 79.7 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -127.8 | 153.9 | 179.1 | -60.6 | -77.2 | 0 | 0 | 0 | 112.5 | R39 L40 E41 F45 I50 A56 P57 Y58 | R39-F43 WeakPolarHBondContact CB-O 3.08Å; L40-F43 HydrophobicContact CB-CB 4.34Å; L40-F43 HydrophobicContact CB-CD2 4.14Å; L40-F43 PolarHBondContact O-N 3.43Å; L40-F43 VanDerWaalsContact O-O 3.12Å; E41-F43 WeakPolarHBondContact O-CD2 3.01Å; F43-F45 VanDerWaalsContact C-N 3.27Å; F43-F45 PolarHBondContact O-N 2.78Å; F43-I50 HydrophobicContact CB-CD1 4.27Å; F43-I50 HydrophobicContact CD1-CD1 4.37Å; F43-I50 HydrophobicContact CD2-CD1 3.89Å; F43-I50 HydrophobicContact CE2-CD1 4.4Å; F43-I50 HydrophobicContact CG-CD1 3.89Å; F43-A56 HydrophobicContact CD1-CB 3.98Å; F43-A56 HydrophobicContact CE1-CB 3.87Å; F43-P57 HydrophobicContact CZ-CG 3.89Å; F43-Y58 HydrophobicContact CE2-CE2 4.41Å |
| 44 | D | 85 | Confident | 84.4 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -82.1 | -4.3 | 178.7 | -72.3 | -42.5 | 0 | 0 | 0 | 114.2 | A29 R39 | A29-D44 HydrophobicContact CB-CB 4.03Å; A29-D44 VanDerWaalsContact CB-O 3.27Å; A29-D44 WeakPolarHBondContact CB-O 3.5Å; A29-D44 PolarHBondContact N-O 3.44Å; R39-D44 WeakPolarHBondContact CG-O 3.44Å; R39-D44 IonicContact CZ-OD1 3.65Å; R39-D44 PolarHBondContact NE-O 3.42Å; R39-D44 IonicContact NH1-OD1 3.51Å; R39-D44 PolarHBondContact NH1-OD1 3.5Å |
| 45 | F | 87.2 | Confident | 84.3 | Confident | 39 Ų | 39 | 80.4 Ų | 80.4 | 17% | 0.171 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -122.4 | 154.4 | -173.7 | -57.6 | -86.7 | 0 | 0 | 0 | 112.3 | L40 F43 H49 D53 | L40-F45 PolarHBondContact N-O 2.9Å; F43-F45 VanDerWaalsContact C-N 3.27Å; F43-F45 PolarHBondContact O-N 2.78Å; F45-H49 HydrophobicContact CB-CB 4.21Å; F45-H49 HydrophobicContact CD1-CB 4.12Å; F45-D53 HydrophobicContact CD2-CB 3.72Å; F45-D53 HydrophobicContact CE2-CB 3.86Å |
| 46 | C | 88.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.02 | 41% | 0.413 | C | S | . | . | trans | -79.6 | 169.4 | 171.3 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | C28 Q37 P38 K48 H49 I50 | C28-C46 HydrophobicContact CB-CB 4Å; C28-C46 PolarHBondContact SG-N 2.84Å; Q37-C46 HydrophobicContact CB-CB 3.58Å; P38-C46 WeakPolarHBondContact O-CA 3.39Å; P38-C46 WeakPolarHBondContact O-CB 3.27Å; C46-K48 PolarHBondContact O-N 3.13Å; C46-H49 CarbonylContact O-C 3.6Å; C46-H49 PolarHBondContact O-N 2.86Å; C46-I50 WeakPolarHBondContact O-CB 3.43Å; C46-I50 PolarHBondContact O-N 3.03Å | ||
| 47 | I | 85.4 | Confident | 84 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 41% | 0.41 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.5 | -179.8 | -167.9 | 61.3 | 0 | 0 | 0 | 114.8 | L40 I50 Y58 A75 | L40-I47 HydrophobicContact CD1-CB 3.94Å; L40-I47 HydrophobicContact CD1-CD1 3.84Å; L40-I47 HydrophobicContact CD1-CG1 4.49Å; L40-I47 HydrophobicContact CD2-CB 4.31Å; L40-I47 HydrophobicContact CG-CB 4.43Å; I47-I50 HydrophobicContact CD1-CG2 4.35Å; I47-I50 WeakPolarHBondContact O-CG2 3.25Å; I47-Y58 HydrophobicContact CD1-CD1 4.33Å; I47-Y58 HydrophobicContact CD1-CE1 3.8Å; I47-A75 HydrophobicContact CD1-CB 4.23Å |
| 48 | K | 84.6 | Confident | 84.1 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.635 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -33.3 | 176.6 | -64.5 | -177.1 | 179.7 | 179.5 | 0 | 112.8 | C46 | C46-K48 PolarHBondContact O-N 3.13Š|
| 49 | H | 86.8 | Confident | 84.1 | Confident | 39 Ų | 39 | 77 Ų | 77 | 18% | 0.181 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -1.9 | -176.6 | -58.8 | 135.4 | 0 | 0 | 0 | 113.2 | C28 F30 C35 F45 C46 L51 E52 | C28-H49 PolarHBondContact SG-ND1 2.73Å; C28-H49 VanDerWaalsContact SG-ND1 3.42Å; F30-H49 AromaticContact CD1-CE1 3.56Å; F30-H49 AromaticContact CD1-NE2 3.73Å; F30-H49 AromaticContact CE1-NE2 3.9Å; F30-H49 AromaticContact CG-CE1 3.87Å; F30-H49 AromaticContact CG-ND1 3.83Å; C35-H49 VanDerWaalsContact SG-CE1 3.51Å; F45-H49 HydrophobicContact CB-CB 4.21Å; F45-H49 HydrophobicContact CD1-CB 4.12Å; C46-H49 CarbonylContact O-C 3.6Å; C46-H49 PolarHBondContact O-N 2.86Å; H49-L51 PolarHBondContact O-N 2.74Å; H49-E52 WeakPolarHBondContact O-CB 3.43Å; H49-E52 WeakPolarHBondContact O-CG 3.32Å; H49-E52 PolarHBondContact O-N 2.83Å |
| 50 | I | 87.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -61.4 | -16.8 | 179.7 | -166.3 | 153.6 | 0 | 0 | 0 | 114 | L40 F43 C46 I47 E52 D53 A56 Y58 A75 | L40-I50 HydrophobicContact CB-CD1 4.37Å; L40-I50 HydrophobicContact CD1-CB 4.17Å; L40-I50 HydrophobicContact CD1-CD1 3.29Å; L40-I50 HydrophobicContact CD1-CG1 4.31Å; L40-I50 HydrophobicContact CD1-CG2 4.38Å; L40-I50 HydrophobicContact CG-CD1 4.43Å; F43-I50 HydrophobicContact CB-CD1 4.27Å; F43-I50 HydrophobicContact CD1-CD1 4.37Å; F43-I50 HydrophobicContact CD2-CD1 3.89Å; F43-I50 HydrophobicContact CE2-CD1 4.4Å; F43-I50 HydrophobicContact CG-CD1 3.89Å; C46-I50 WeakPolarHBondContact O-CB 3.43Å; C46-I50 PolarHBondContact O-N 3.03Å; I47-I50 HydrophobicContact CD1-CG2 4.35Å; I47-I50 WeakPolarHBondContact O-CG2 3.25Å; I50-E52 PolarHBondContact O-N 2.95Å; I50-D53 PolarHBondContact O-N 2.97Å; I50-A56 HydrophobicContact CD1-CB 4.1Å; I50-A56 HydrophobicContact CG1-CB 3.59Å; I50-Y58 HydrophobicContact CD1-CD2 3.3Å; I50-Y58 HydrophobicContact CD1-CE2 3.36Å; I50-Y58 HydrophobicContact CD1-CG 4Å; I50-Y58 HydrophobicContact CG1-CD2 3.78Å; I50-Y58 HydrophobicContact CG1-CE2 4.32Å; I50-Y58 HydrophobicContact CG1-CG 4.11Å; I50-Y58 HydrophobicContact CG2-CD1 4.17Å; I50-Y58 HydrophobicContact CG2-CD2 4.45Å; I50-Y58 HydrophobicContact CG2-CG 3.99Å; I50-A75 HydrophobicContact CG2-CB 3.52Å |
| 51 | L | 86.7 | Confident | 84.5 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 39% | 0.393 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -72.3 | -13.5 | 173.7 | -63.5 | 178.4 | 0 | 0 | 0 | 113.3 | H49 A75 | H49-L51 PolarHBondContact O-N 2.74Å; L51-A75 HydrophobicContact CD1-CB 4.4Å; L51-A75 HydrophobicContact CD2-CB 3.82Å; L51-A75 HydrophobicContact CG-CB 3.93Å |
| 52 | E | 83.5 | Confident | 84.9 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -81.3 | -23.1 | 175.2 | -60.3 | -176.5 | -175.9 | 0 | 0 | 112.4 | F30 H49 I50 K54 | F30-E52 WeakPolarHBondContact CD2-OE2 3.1Å; F30-E52 WeakPolarHBondContact CE2-OE1 2.91Å; F30-E52 WeakPolarHBondContact CE2-OE2 3.48Å; H49-E52 WeakPolarHBondContact O-CB 3.43Å; H49-E52 WeakPolarHBondContact O-CG 3.32Å; H49-E52 PolarHBondContact O-N 2.83Å; I50-E52 PolarHBondContact O-N 2.95Å; E52-K54 PolarHBondContact O-N 3Å |
| 53 | D | 83.6 | Confident | 85.3 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | trans | -80 | 110.6 | 174 | -173.1 | -6.9 | 0 | 0 | 0 | 110.4 | F45 I50 N55 A56 | F45-D53 HydrophobicContact CD2-CB 3.72Å; F45-D53 HydrophobicContact CE2-CB 3.86Å; I50-D53 PolarHBondContact O-N 2.97Å; D53-N55 PolarHBondContact O-N 3.35Å; D53-N55 WeakPolarHBondContact OD1-CB 3.47Å; D53-N55 PolarHBondContact OD1-N 3.11Å; D53-A56 HydrophobicContact CB-CB 3.8Å; D53-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact OD1-N 3.12Å | ||
| 54 | K | 77.1 | Confident | 85.7 | Confident | 197 Ų | 197 | 69.3 Ų | 69.3 | 86% | 0.857 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.5 | 178.4 | -63.6 | -178.1 | -178.8 | 179.1 | 0 | 112.6 | E52 | E52-K54 PolarHBondContact O-N 3Š|
| 55 | N | 77.6 | Confident | 85.7 | Confident | 147 Ų | 147 | 66.6 Ų | 66.6 | 79% | 0.786 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.5 | -179.3 | -66 | -10.4 | 0 | 0 | 0 | 112.1 | D53 | D53-N55 PolarHBondContact O-N 3.35Å; D53-N55 WeakPolarHBondContact OD1-CB 3.47Å; D53-N55 PolarHBondContact OD1-N 3.11Å |
| 56 | A | 81.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -70.6 | 140 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | F43 I50 D53 Y58 K78 | F43-A56 HydrophobicContact CD1-CB 3.98Å; F43-A56 HydrophobicContact CE1-CB 3.87Å; I50-A56 HydrophobicContact CD1-CB 4.1Å; I50-A56 HydrophobicContact CG1-CB 3.59Å; D53-A56 HydrophobicContact CB-CB 3.8Å; D53-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact OD1-N 3.12Å; A56-Y58 HydrophobicContact CB-CD2 4.28Å; A56-Y58 PolarHBondContact O-N 3Å; A56-K78 PolarHBondContact O-NZ 3.06Å |
| 57 | P | 83.1 | Confident | 85.2 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -78 | 47 | 175 | 35.1 | -35.9 | 0 | 0 | 0 | 110.8 | F43 P77 K78 | F43-P57 HydrophobicContact CZ-CG 3.89Å; P57-P77 CarbonylContact O-C 3.54Å; P57-K78 HydrophobicContact CB-CB 4.41Å; P57-K78 WeakPolarHBondContact O-CB 3.38Å; P57-K78 PolarHBondContact O-N 2.9Å |
| 58 | Y | 86.5 | Confident | 85 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 21% | 0.208 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.3 | 179.1 | -74.3 | -98.1 | 0 | 0 | 0 | 111 | F43 I47 I50 A56 A75 A76 P77 K78 | F43-Y58 HydrophobicContact CE2-CE2 4.41Å; I47-Y58 HydrophobicContact CD1-CD1 4.33Å; I47-Y58 HydrophobicContact CD1-CE1 3.8Å; I50-Y58 HydrophobicContact CD1-CD2 3.3Å; I50-Y58 HydrophobicContact CD1-CE2 3.36Å; I50-Y58 HydrophobicContact CD1-CG 4Å; I50-Y58 HydrophobicContact CG1-CD2 3.78Å; I50-Y58 HydrophobicContact CG1-CE2 4.32Å; I50-Y58 HydrophobicContact CG1-CG 4.11Å; I50-Y58 HydrophobicContact CG2-CD1 4.17Å; I50-Y58 HydrophobicContact CG2-CD2 4.45Å; I50-Y58 HydrophobicContact CG2-CG 3.99Å; A56-Y58 HydrophobicContact CB-CD2 4.28Å; A56-Y58 PolarHBondContact O-N 3Å; Y58-A75 HydrophobicContact CD1-CB 3.88Å; Y58-A75 HydrophobicContact CG-CB 4.48Å; Y58-A76 CarbonylContact C-O 3.56Å; Y58-A76 WeakPolarHBondContact CA-O 3.34Å; Y58-P77 HydrophobicContact CD1-CG 4.44Å; Y58-P77 HydrophobicContact CE1-CB 4.34Å; Y58-P77 HydrophobicContact CE1-CG 3.87Å; Y58-K78 VanDerWaalsContact O-CE 3.26Å; Y58-K78 WeakPolarHBondContact O-CE 3.2Å |
| 59 | K | 88 | Confident | 85 | Confident | 120 Ų | 120 | 76.4 Ų | 76.4 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 166.1 | 172.7 | -71.1 | -177.4 | -179.5 | -179.1 | 0 | 109.5 | A75 A76 K78 | K59-A75 CarbonylContact O-C 3.58Å; K59-A76 PolarHBondContact N-O 3.4Å; K59-A76 PolarHBondContact O-N 2.93Å; K59-K78 HydrophobicContact CD-CD 4.37Å; K59-K78 HydrophobicContact CD-CG 4.03Å; K59-K78 HydrophobicContact CG-CD 4.1Å; K59-K78 VanDerWaalsContact CG-CE 3.44Å; K59-K78 HydrophobicContact CG-CG 3.74Å |
| 60 | H | 88.3 | Confident | 85 | Confident | 102 Ų | 102 | 82.2 Ų | 82.2 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 144.6 | 172.7 | 60.8 | 51.2 | 0 | 0 | 0 | 111 | S62 | H60-S62 PolarHBondContact O-N 3Å |
| 61 | C | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 46% | 0.458 | C | S | . | . | trans | -60.1 | 133.9 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 111 | Y63 C72 N74 A76 C88 | C61-Y63 PolarHBondContact O-N 2.87Å; C61-Y63 VanDerWaalsContact SG-CB 3.57Å; C61-Y63 PolarHBondContact SG-N 3.41Å; C61-C72 HydrophobicContact CB-CB 3.76Å; C61-N74 WeakPolarHBondContact CB-O 3.5Å; C61-N74 PolarHBondContact N-O 3.37Å; C61-A76 HydrophobicContact CB-CB 4.46Å; C61-C88 HydrophobicContact CB-CB 4.08Å; C61-C88 PolarHBondContact SG-N 3.47Å | ||
| 62 | S | 89.8 | Confident | 85.1 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 20% | 0.203 | 44% | 0.443 | C | S | . | . | trans | -80 | -2.2 | -179.1 | -57.7 | 0 | 0 | 0 | 0 | 113.8 | H60 T86 | H60-S62 PolarHBondContact O-N 3Å; S62-T86 WeakPolarHBondContact CB-O 3.27Å; S62-T86 PolarHBondContact N-O 2.96Å; S62-T86 PolarHBondContact OG-N 2.81Å; S62-T86 PolarHBondContact OG-O 3.06Å | ||
| 63 | Y | 87.7 | Confident | 85.2 | Confident | 81 Ų | 81 | 87.5 Ų | 87.5 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | trans | -71.3 | 132.4 | 179.2 | -179.6 | -95.4 | 0 | 0 | 0 | 112.1 | C61 R71 C72 H91 | C61-Y63 PolarHBondContact O-N 2.87Å; C61-Y63 VanDerWaalsContact SG-CB 3.57Å; C61-Y63 PolarHBondContact SG-N 3.41Å; Y63-R71 CarbonylContact O-C 3.55Å; Y63-R71 WeakPolarHBondContact O-CA 3.49Å; Y63-C72 HydrophobicContact CD1-CB 4.42Å; Y63-C72 PolarHBondContact O-N 3.16Å; Y63-H91 AromaticContact CD1-CD2 3.26Å; Y63-H91 WeakPolarHBondContact CD1-CD2 3.43Å; Y63-H91 AromaticContact CD1-CE1 3.5Å; Y63-H91 AromaticContact CD1-CG 3.94Å; Y63-H91 AromaticContact CD1-NE2 2.99Å; Y63-H91 WeakPolarHBondContact CD1-NE2 3.45Å; Y63-H91 HydrophobicContact CD2-CB 4.49Å; Y63-H91 AromaticContact CD2-CD2 3.46Å; Y63-H91 VanDerWaalsContact CD2-CD2 3.46Å; Y63-H91 WeakPolarHBondContact CD2-CD2 3.47Å; Y63-H91 AromaticContact CE1-CD2 3.57Å; Y63-H91 AromaticContact CE1-NE2 3.19Å; Y63-H91 WeakPolarHBondContact CE1-NE2 3.19Å; Y63-H91 AromaticContact CE2-CD2 3.78Å; Y63-H91 HydrophobicContact CG-CB 4.32Å; Y63-H91 AromaticContact CG-CD2 3.17Å; Y63-H91 AromaticContact CG-CE1 3.93Å; Y63-H91 AromaticContact CG-CG 3.59Å; Y63-H91 AromaticContact CG-NE2 3.48Å; Y63-H91 AromaticContact CZ-CD2 3.82Å; Y63-H91 AromaticContact CZ-NE2 3.87Å | ||
| 64 | V | 89.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 89 Ų | 89 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -108.9 | 125.9 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | A66 G69 R71 | V64-A66 PolarHBondContact O-N 2.91Å; V64-G69 WeakPolarHBondContact CG1-O 3.21Å; V64-R71 HydrophobicContact CG2-CG 3.93Å |
| 65 | S | 86.8 | Confident | 86 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 24% | 0.238 | 43% | 0.428 | C | S | . | . | trans | -70.1 | 125.3 | 178 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | K67 N68 G69 K70 | S65-K67 PolarHBondContact O-N 3.4Å; S65-K67 PolarHBondContact OG-N 3.41Å; S65-N68 PolarHBondContact O-N 3.48Å; S65-G69 WeakPolarHBondContact O-CA 3.26Å; S65-G69 PolarHBondContact O-N 3.24Å; S65-K70 PolarHBondContact N-O 2.86Å | ||
| 66 | A | 84.1 | Confident | 86.6 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 85% | 0.851 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V64 | V64-A66 PolarHBondContact O-N 2.91Š|
| 67 | K | 81.1 | Confident | 86.7 | Confident | 193 Ų | 193 | 76.2 Ų | 76.2 | 84% | 0.839 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -35.7 | -178.6 | -61.7 | -173.3 | 178.3 | -173.1 | 0 | 112.9 | S65 | S65-K67 PolarHBondContact O-N 3.4Å; S65-K67 PolarHBondContact OG-N 3.41Å |
| 68 | N | 80.8 | Confident | 86.5 | Confident | 118 Ų | 118 | 77.6 Ų | 77.6 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -3.9 | -167.5 | -63.5 | 13.3 | 0 | 0 | 0 | 113.3 | S65 K70 | S65-N68 PolarHBondContact O-N 3.48Å; N68-K70 PolarHBondContact O-N 3.36Å |
| 69 | G | 84.1 | Confident | 85.6 | Confident | 59 Ų | 59 | 78 Ų | 78 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | trans | 63.4 | -4.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V64 S65 | V64-G69 WeakPolarHBondContact CG1-O 3.21Å; S65-G69 WeakPolarHBondContact O-CA 3.26Å; S65-G69 PolarHBondContact O-N 3.24Å | ||
| 70 | K | 86.9 | Confident | 84.4 | Confident | 162 Ų | 162 | 80.7 Ų | 80.7 | 70% | 0.704 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 142.4 | -177.1 | -67.3 | 179.4 | -175.8 | -174.9 | 0 | 111.3 | S65 N68 | S65-K70 PolarHBondContact N-O 2.86Å; N68-K70 PolarHBondContact O-N 3.36Å |
| 71 | R | 87.8 | Confident | 83.1 | Confident | 150 Ų | 150 | 85.4 Ų | 85.4 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | B | Isolated β-bridge | trans | -67.7 | 145.4 | 171 | -75.5 | -177.6 | -176.8 | -122.5 | 0.9 | 110.6 | Y63 V64 | Y63-R71 CarbonylContact O-C 3.55Å; Y63-R71 WeakPolarHBondContact O-CA 3.49Å; V64-R71 HydrophobicContact CG2-CG 3.93Å |
| 72 | C | 88.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 95.5 Ų | 95.5 | 8% | 0.081 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 129.2 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | C61 Y63 N74 H91 | C61-C72 HydrophobicContact CB-CB 3.76Å; Y63-C72 HydrophobicContact CD1-CB 4.42Å; Y63-C72 PolarHBondContact O-N 3.16Å; C72-N74 PolarHBondContact O-N 3.31Å; C72-H91 PolarHBondContact SG-CE1 3.23Å |
| 73 | P | 85.9 | Confident | 80.1 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | trans | -76 | -7.3 | -178.4 | 31.4 | -36.5 | 0 | 0 | 0 | 113.8 | ||||
| 74 | N | 88.6 | Confident | 79 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 35% | 0.348 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -75 | 148.6 | -175.5 | -67.9 | -32.4 | 0 | 0 | 0 | 112.1 | C61 C72 C88 | C61-N74 WeakPolarHBondContact CB-O 3.5Å; C61-N74 PolarHBondContact N-O 3.37Å; C72-N74 PolarHBondContact O-N 3.31Å; N74-C88 HydrophobicContact CB-CB 3.74Å |
| 75 | A | 89.6 | Confident | 78.3 | Confident | 7 Ų | 7 | 100.6 Ų | 100.6 | 6% | 0.058 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 141.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I47 I50 L51 Y58 K59 C88 | I47-A75 HydrophobicContact CD1-CB 4.23Å; I50-A75 HydrophobicContact CG2-CB 3.52Å; L51-A75 HydrophobicContact CD1-CB 4.4Å; L51-A75 HydrophobicContact CD2-CB 3.82Å; L51-A75 HydrophobicContact CG-CB 3.93Å; Y58-A75 HydrophobicContact CD1-CB 3.88Å; Y58-A75 HydrophobicContact CG-CB 4.48Å; K59-A75 CarbonylContact O-C 3.58Å; A75-C88 VanDerWaalsContact O-CB 3.26Å; A75-C88 WeakPolarHBondContact O-CB 3.2Å |
| 76 | A | 88.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 99.8 Ų | 99.8 | 0% | 0 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y58 K59 C61 F87 | Y58-A76 CarbonylContact C-O 3.56Å; Y58-A76 WeakPolarHBondContact CA-O 3.34Å; K59-A76 PolarHBondContact N-O 3.4Å; K59-A76 PolarHBondContact O-N 2.93Å; C61-A76 HydrophobicContact CB-CB 4.46Å; A76-F87 VanDerWaalsContact CB-C 3.46Å |
| 77 | P | 85.3 | Confident | 78.5 | Confident | 70 Ų | 70 | 97.7 Ų | 97.7 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 136.8 | 175.4 | -20.6 | 31.4 | 0 | 0 | 0 | 111.1 | P57 Y58 A79 T86 | P57-P77 CarbonylContact O-C 3.54Å; Y58-P77 HydrophobicContact CD1-CG 4.44Å; Y58-P77 HydrophobicContact CE1-CB 4.34Å; Y58-P77 HydrophobicContact CE1-CG 3.87Å; P77-A79 PolarHBondContact O-N 2.87Å; P77-A79 VanDerWaalsContact O-N 3.13Å; P77-T86 WeakPolarHBondContact O-CB 3.35Å; P77-T86 VanDerWaalsContact O-CG2 3.25Å; P77-T86 WeakPolarHBondContact O-CG2 2.99Å |
| 78 | K | 78.6 | Confident | 78.9 | Confident | 90 Ų | 90 | 88.7 Ų | 88.7 | 39% | 0.391 | 48% | 0.475 | S | S | . | . | trans | -69.7 | 103.4 | 169.9 | -70.2 | 179.1 | -165.5 | 156 | 0 | 107.5 | A56 P57 Y58 K59 | A56-K78 PolarHBondContact O-NZ 3.06Å; P57-K78 HydrophobicContact CB-CB 4.41Å; P57-K78 WeakPolarHBondContact O-CB 3.38Å; P57-K78 PolarHBondContact O-N 2.9Å; Y58-K78 VanDerWaalsContact O-CE 3.26Å; Y58-K78 WeakPolarHBondContact O-CE 3.2Å; K59-K78 HydrophobicContact CD-CD 4.37Å; K59-K78 HydrophobicContact CD-CG 4.03Å; K59-K78 HydrophobicContact CG-CD 4.1Å; K59-K78 VanDerWaalsContact CG-CE 3.44Å; K59-K78 HydrophobicContact CG-CG 3.74Å | ||
| 79 | A | 67.4 | Low | 79.3 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | trans | -76.2 | 137.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | P77 R81 T86 | P77-A79 PolarHBondContact O-N 2.87Å; P77-A79 VanDerWaalsContact O-N 3.13Å; A79-R81 HydrophobicContact CB-CB 4.32Å; A79-R81 HydrophobicContact CB-CG 4.15Å; A79-R81 PolarHBondContact O-N 3.13Å; A79-T86 HydrophobicContact CB-CG2 4.49Å | ||
| 80 | D | 62.9 | Low | 79.6 | Confident | 177 Ų | 177 | 87.9 Ų | 87.9 | 95% | 0.947 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -73.2 | 34.3 | 175.1 | -158.2 | 10.4 | 0 | 0 | 0 | 112.1 | ||
| 81 | R | 59.5 | Low | 79.8 | Confident | 202 Ų | 202 | 80.8 Ų | 80.8 | 76% | 0.762 | 43% | 0.434 | S | S | * | . | trans | -101.6 | 129.5 | -177.5 | -67.2 | -88.4 | 172.5 | 156.8 | -5.6 | 107.3 | A79 D83 G84 | A79-R81 HydrophobicContact CB-CB 4.32Å; A79-R81 HydrophobicContact CB-CG 4.15Å; A79-R81 PolarHBondContact O-N 3.13Å; R81-D83 PolarHBondContact O-N 3.49Å; R81-G84 PolarHBondContact O-N 3.35Å | ||
| 82 | K | 58 | Low | 79.9 | Confident | 211 Ų | 211 | 75.7 Ų | 75.7 | 92% | 0.917 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -12 | -174.4 | -162.7 | 177.9 | 177 | -169.8 | 0 | 114.9 | ||
| 83 | D | 59.6 | Low | 79.9 | Confident | 136 Ų | 136 | 83.1 Ų | 83.1 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.6 | -170.7 | -55.7 | -48.6 | 0 | 0 | 0 | 115.8 | R81 V85 | R81-D83 PolarHBondContact O-N 3.49Å; D83-V85 PolarHBondContact O-N 3.31Å |
| 84 | G | 64.8 | Low | 80.1 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 62% | 0.619 | 44% | 0.438 | S | S | * | . | trans | 65.1 | -6.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | R81 | R81-G84 PolarHBondContact O-N 3.35Š| ||
| 85 | V | 76.6 | Confident | 80 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | trans | -97.9 | 103.4 | -179.1 | -176 | 0 | 0 | 0 | 0 | 110.5 | D83 F87 | D83-V85 PolarHBondContact O-N 3.31Å; V85-F87 HydrophobicContact CG1-CE1 4.13Å; V85-F87 HydrophobicContact CG1-CE2 3.78Å; V85-F87 HydrophobicContact CG1-CZ 3.52Å | ||
| 86 | T | 85.3 | Confident | 79.9 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | trans | -113.1 | 134.8 | 177.8 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | S62 P77 A79 | S62-T86 WeakPolarHBondContact CB-O 3.27Å; S62-T86 PolarHBondContact N-O 2.96Å; S62-T86 PolarHBondContact OG-N 2.81Å; S62-T86 PolarHBondContact OG-O 3.06Å; P77-T86 WeakPolarHBondContact O-CB 3.35Å; P77-T86 VanDerWaalsContact O-CG2 3.25Å; P77-T86 WeakPolarHBondContact O-CG2 2.99Å; A79-T86 HydrophobicContact CB-CG2 4.49Å | ||
| 87 | F | 89.2 | Confident | 79.8 | Confident | 58 Ų | 58 | 91.2 Ų | 91.2 | 25% | 0.254 | 48% | 0.481 | S | S | . | . | trans | -109.3 | 146.4 | 178.4 | -61.5 | -69.4 | 0 | 0 | 0 | 111 | A76 V85 H91 A92 N95 | A76-F87 VanDerWaalsContact CB-C 3.46Å; V85-F87 HydrophobicContact CG1-CE1 4.13Å; V85-F87 HydrophobicContact CG1-CE2 3.78Å; V85-F87 HydrophobicContact CG1-CZ 3.52Å; F87-H91 HydrophobicContact CB-CB 3.93Å; F87-H91 HydrophobicContact CD1-CB 4.14Å; F87-H91 HydrophobicContact CG-CB 4.36Å; F87-A92 HydrophobicContact CB-CB 4.16Å; F87-N95 WeakPolarHBondContact CE2-ND2 3.22Å | ||
| 88 | C | 90.3 | Very high | 79.9 | Confident | 4 Ų | 4 | 90.2 Ų | 90.2 | 3% | 0.027 | 48% | 0.478 | C | S | . | . | trans | -67.2 | 162.9 | 168.9 | 72.8 | 0 | 0 | 0 | 0 | 110.4 | C61 N74 A75 E90 H91 A92 | C61-C88 HydrophobicContact CB-CB 4.08Å; C61-C88 PolarHBondContact SG-N 3.47Å; N74-C88 HydrophobicContact CB-CB 3.74Å; A75-C88 VanDerWaalsContact O-CB 3.26Å; A75-C88 WeakPolarHBondContact O-CB 3.2Å; C88-E90 PolarHBondContact O-N 3.03Å; C88-H91 PolarHBondContact O-N 2.83Å; C88-H91 PolarHBondContact SG-ND1 3.38Å; C88-A92 WeakPolarHBondContact O-CB 3.26Å; C88-A92 PolarHBondContact O-N 3.37Å | ||
| 89 | A | 88.6 | Confident | 80.1 | Confident | 73 Ų | 73 | 90.1 Ų | 90.1 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -52.1 | -34.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R93 | A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.29Å; A89-R93 WeakPolarHBondContact O-CG 3.29Å; A89-R93 PolarHBondContact O-N 3.37Å; A89-R93 VanDerWaalsContact O-N 3.17Å; A89-R93 PolarHBondContact O-NE 3.17Å |
| 90 | E | 89.9 | Confident | 80.8 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.7 | -45.9 | 175.8 | -62.6 | -178.1 | 171.4 | 0 | 0 | 113 | C88 R93 R94 | C88-E90 PolarHBondContact O-N 3.03Å; E90-R93 PolarHBondContact O-N 3.26Å; E90-R94 PolarHBondContact O-N 3.41Å; E90-R94 IonicContact OE2-NH2 3.81Å; E90-R94 PolarHBondContact OE2-NH2 2.91Å |
| 91 | H | 90.8 | Very high | 81.6 | Confident | 13 Ų | 13 | 89.6 Ų | 89.6 | 6% | 0.06 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -74.2 | -30.6 | -179.7 | -70.6 | 112.5 | 0 | 0 | 0 | 112 | Y63 C72 F87 C88 R94 N95 | Y63-H91 AromaticContact CD1-CD2 3.26Å; Y63-H91 WeakPolarHBondContact CD1-CD2 3.43Å; Y63-H91 AromaticContact CD1-CE1 3.5Å; Y63-H91 AromaticContact CD1-CG 3.94Å; Y63-H91 AromaticContact CD1-NE2 2.99Å; Y63-H91 WeakPolarHBondContact CD1-NE2 3.45Å; Y63-H91 HydrophobicContact CD2-CB 4.49Å; Y63-H91 AromaticContact CD2-CD2 3.46Å; Y63-H91 VanDerWaalsContact CD2-CD2 3.46Å; Y63-H91 WeakPolarHBondContact CD2-CD2 3.47Å; Y63-H91 AromaticContact CE1-CD2 3.57Å; Y63-H91 AromaticContact CE1-NE2 3.19Å; Y63-H91 WeakPolarHBondContact CE1-NE2 3.19Å; Y63-H91 AromaticContact CE2-CD2 3.78Å; Y63-H91 HydrophobicContact CG-CB 4.32Å; Y63-H91 AromaticContact CG-CD2 3.17Å; Y63-H91 AromaticContact CG-CE1 3.93Å; Y63-H91 AromaticContact CG-CG 3.59Å; Y63-H91 AromaticContact CG-NE2 3.48Å; Y63-H91 AromaticContact CZ-CD2 3.82Å; Y63-H91 AromaticContact CZ-NE2 3.87Å; C72-H91 PolarHBondContact SG-CE1 3.23Å; F87-H91 HydrophobicContact CB-CB 3.93Å; F87-H91 HydrophobicContact CD1-CB 4.14Å; F87-H91 HydrophobicContact CG-CB 4.36Å; C88-H91 PolarHBondContact O-N 2.83Å; C88-H91 PolarHBondContact SG-ND1 3.38Å; H91-R94 PolarHBondContact CD2-NH1 3.08Å; H91-R94 PolarHBondContact NE2-NH1 3.31Å; H91-R94 PolarHBondContact O-N 2.78Å; H91-N95 WeakPolarHBondContact O-CB 3.45Å; H91-N95 PolarHBondContact O-N 3.43Å |
| 92 | A | 90.5 | Very high | 82.5 | Confident | 43 Ų | 43 | 85.6 Ų | 85.6 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F87 C88 N95 A96 | F87-A92 HydrophobicContact CB-CB 4.16Å; C88-A92 WeakPolarHBondContact O-CB 3.26Å; C88-A92 PolarHBondContact O-N 3.37Å; A92-N95 PolarHBondContact O-N 3.44Å; A92-A96 WeakPolarHBondContact O-CB 3.46Å; A92-A96 PolarHBondContact O-N 3.43Å |
| 93 | R | 89.3 | Confident | 83.1 | Confident | 168 Ų | 168 | 81.7 Ų | 81.7 | 63% | 0.634 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 174.1 | -76.3 | -174.5 | -64.1 | 178.2 | 2.6 | 112.3 | A89 E90 A96 M97 | A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.29Å; A89-R93 WeakPolarHBondContact O-CG 3.29Å; A89-R93 PolarHBondContact O-N 3.37Å; A89-R93 VanDerWaalsContact O-N 3.17Å; A89-R93 PolarHBondContact O-NE 3.17Å; E90-R93 PolarHBondContact O-N 3.26Å; R93-A96 PolarHBondContact O-N 2.96Å; R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.44Å; R93-M97 PolarHBondContact O-N 3.39Å |
| 94 | R | 88.6 | Confident | 83.4 | Confident | 122 Ų | 122 | 84.8 Ų | 84.8 | 46% | 0.46 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.3 | -75.9 | -170.8 | -126.7 | 118.3 | 10.8 | 112.6 | E90 H91 M97 A98 | E90-R94 PolarHBondContact O-N 3.41Å; E90-R94 IonicContact OE2-NH2 3.81Å; E90-R94 PolarHBondContact OE2-NH2 2.91Å; H91-R94 PolarHBondContact CD2-NH1 3.08Å; H91-R94 PolarHBondContact NE2-NH1 3.31Å; H91-R94 PolarHBondContact O-N 2.78Å; R94-M97 PolarHBondContact O-N 2.91Å; R94-A98 WeakPolarHBondContact O-CB 3.31Å; R94-A98 PolarHBondContact O-N 2.88Å |
| 95 | N | 87.9 | Confident | 83.2 | Confident | 60 Ų | 60 | 91 Ų | 91 | 32% | 0.321 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 175.9 | -170.5 | -29.8 | 0 | 0 | 0 | 110.9 | F87 H91 A92 M97 A98 L99 | F87-N95 WeakPolarHBondContact CE2-ND2 3.22Å; H91-N95 WeakPolarHBondContact O-CB 3.45Å; H91-N95 PolarHBondContact O-N 3.43Å; A92-N95 PolarHBondContact O-N 3.44Å; N95-M97 VanDerWaalsContact C-N 3.3Å; N95-M97 PolarHBondContact O-N 2.85Å; N95-A98 WeakPolarHBondContact O-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.08Å; N95-L99 WeakPolarHBondContact O-CG 3.47Å; N95-L99 PolarHBondContact O-N 2.92Å; N95-L99 WeakPolarHBondContact OD1-CD1 3.47Å |
| 96 | A | 87.7 | Confident | 82.1 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A92 R93 R100 | A92-A96 WeakPolarHBondContact O-CB 3.46Å; A92-A96 PolarHBondContact O-N 3.43Å; R93-A96 PolarHBondContact O-N 2.96Å; A96-R100 WeakPolarHBondContact O-CB 3.35Å; A96-R100 VanDerWaalsContact O-CG 3.3Å; A96-R100 WeakPolarHBondContact O-CG 3.3Å; A96-R100 PolarHBondContact O-N 3.42Å |
| 97 | M | 86.3 | Confident | 80.6 | Confident | 126 Ų | 126 | 93.1 Ų | 93.1 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.7 | -39.8 | 174.2 | -71.8 | -64.2 | -172.4 | 0 | 0 | 112.3 | R93 R94 N95 R100 A101 | R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.44Å; R93-M97 PolarHBondContact O-N 3.39Å; R94-M97 PolarHBondContact O-N 2.91Å; N95-M97 VanDerWaalsContact C-N 3.3Å; N95-M97 PolarHBondContact O-N 2.85Å; M97-R100 PolarHBondContact O-N 2.99Å; M97-A101 WeakPolarHBondContact O-CB 3.47Å; M97-A101 PolarHBondContact O-N 3.09Å |
| 98 | A | 85.8 | Confident | 79 | Confident | 48 Ų | 48 | 95.1 Ų | 95.1 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R94 N95 R100 A101 Q102 | R94-A98 WeakPolarHBondContact O-CB 3.31Å; R94-A98 PolarHBondContact O-N 2.88Å; N95-A98 WeakPolarHBondContact O-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.08Å; A98-R100 PolarHBondContact O-N 3.09Å; A98-A101 PolarHBondContact O-N 3.26Å; A98-Q102 WeakPolarHBondContact O-CG 3.39Å; A98-Q102 PolarHBondContact O-N 2.93Å |
| 99 | L | 83.8 | Confident | 77.6 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.7 | -69.8 | 173.1 | 0 | 0 | 0 | 111.4 | N95 A101 Q102 M103 | N95-L99 WeakPolarHBondContact O-CG 3.47Å; N95-L99 PolarHBondContact O-N 2.92Å; N95-L99 WeakPolarHBondContact OD1-CD1 3.47Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 3.41Å; L99-Q102 PolarHBondContact O-N 3.14Å; L99-M103 VanDerWaalsContact O-CG 3.32Å; L99-M103 WeakPolarHBondContact O-CG 3.46Å; L99-M103 PolarHBondContact O-N 3.48Å |
| 100 | R | 82 | Confident | 76.4 | Confident | 167 Ų | 167 | 96.4 Ų | 96.4 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -37.3 | 174.8 | -75.1 | 175.2 | 177.6 | -173.3 | -1.2 | 112.6 | A96 M97 A98 R104 | A96-R100 WeakPolarHBondContact O-CB 3.35Å; A96-R100 VanDerWaalsContact O-CG 3.3Å; A96-R100 WeakPolarHBondContact O-CG 3.3Å; A96-R100 PolarHBondContact O-N 3.42Å; M97-R100 PolarHBondContact O-N 2.99Å; A98-R100 PolarHBondContact O-N 3.09Å; R100-R104 WeakPolarHBondContact O-CG 3.32Å; R100-R104 PolarHBondContact O-N 3.35Å; R100-R104 VanDerWaalsContact O-N 3.14Å |
| 101 | A | 80.4 | Confident | 75.3 | Confident | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M97 A98 L99 R104 K105 | M97-A101 WeakPolarHBondContact O-CB 3.47Å; M97-A101 PolarHBondContact O-N 3.09Å; A98-A101 PolarHBondContact O-N 3.26Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 3.41Å; A101-R104 PolarHBondContact O-N 3.39Å; A101-K105 PolarHBondContact O-N 3.02Å |
| 102 | Q | 77.5 | Confident | 74.1 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 174.9 | -73 | 175.8 | -10 | 0 | 0 | 111.7 | A98 L99 R104 K105 A106 | A98-Q102 WeakPolarHBondContact O-CG 3.39Å; A98-Q102 PolarHBondContact O-N 2.93Å; L99-Q102 PolarHBondContact O-N 3.14Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 PolarHBondContact O-N 3.4Å; Q102-K105 PolarHBondContact O-N 3.18Å; Q102-K105 VanDerWaalsContact O-N 3.09Å; Q102-A106 PolarHBondContact O-N 2.93Å; Q102-A106 VanDerWaalsContact O-N 3.09Å |
| 103 | M | 70.3 | Confident | 73.1 | Confident | 129 Ų | 129 | 98.4 Ų | 98.4 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -33.8 | 175.9 | -65 | -62.8 | 107.7 | 0 | 0 | 112.5 | L99 A106 S107 | L99-M103 VanDerWaalsContact O-CG 3.32Å; L99-M103 WeakPolarHBondContact O-CG 3.46Å; L99-M103 PolarHBondContact O-N 3.48Å; M103-A106 PolarHBondContact O-N 2.96Å; M103-S107 PolarHBondContact O-N 3.27Å |
| 104 | R | 66.8 | Low | 72.3 | Confident | 201 Ų | 201 | 92.3 Ų | 92.3 | 76% | 0.758 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -73 | -25.7 | 173.9 | -74 | -178.3 | -178.8 | -161.2 | -0.1 | 113.7 | R100 A101 Q102 S107 | R100-R104 WeakPolarHBondContact O-CG 3.32Å; R100-R104 PolarHBondContact O-N 3.35Å; R100-R104 VanDerWaalsContact O-N 3.14Å; A101-R104 PolarHBondContact O-N 3.39Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 PolarHBondContact O-N 3.4Å; R104-S107 PolarHBondContact O-OG 3.47Å; R104-S107 VanDerWaalsContact O-OG 3.05Å |
| 105 | K | 59.8 | Low | 71.4 | Confident | 189 Ų | 189 | 87.2 Ų | 87.2 | 82% | 0.822 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -76.9 | -29.1 | 174.9 | -150.3 | 82.5 | 176.2 | -173.3 | 0 | 111.3 | A101 Q102 | A101-K105 PolarHBondContact O-N 3.02Å; Q102-K105 PolarHBondContact O-N 3.18Å; Q102-K105 VanDerWaalsContact O-N 3.09Å |
| 106 | A | 53 | Low | 70.6 | Confident | 80 Ų | 80 | 86.8 Ų | 86.8 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -75.7 | -22.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q102 M103 S108 | Q102-A106 PolarHBondContact O-N 2.93Å; Q102-A106 VanDerWaalsContact O-N 3.09Å; M103-A106 PolarHBondContact O-N 2.96Å; A106-S108 PolarHBondContact O-N 3.29Å |
| 107 | S | 54.3 | Low | 69.8 | Low | 76 Ų | 76 | 87.8 Ų | 87.8 | 53% | 0.531 | 49% | 0.489 | S | S | . | . | trans | -86.4 | 84.5 | 166.5 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | M103 R104 G109 | M103-S107 PolarHBondContact O-N 3.27Å; R104-S107 PolarHBondContact O-OG 3.47Å; R104-S107 VanDerWaalsContact O-OG 3.05Å; S107-G109 PolarHBondContact O-N 3.23Å | ||
| 108 | S | 56.8 | Low | 69.1 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 69% | 0.692 | 48% | 0.483 | S | S | * | . | trans | -51.5 | 137.3 | 153.2 | 52.9 | 0 | 0 | 0 | 0 | 107.1 | A106 | A106-S108 PolarHBondContact O-N 3.29Š| ||
| 109 | G | 59.8 | Low | 68.3 | Low | 55 Ų | 55 | 90 Ų | 90 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | trans | -51.5 | 168.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S107 S111 | S107-G109 PolarHBondContact O-N 3.23Å; G109-S111 PolarHBondContact O-N 3.16Å | ||
| 110 | P | 63.3 | Low | 67.4 | Low | 50 Ų | 50 | 88.8 Ų | 88.8 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | trans | -57 | 101.8 | -174.3 | 25.3 | -34 | 0 | 0 | 0 | 109.6 | L115 K254 K255 A258 | P110-L115 HydrophobicContact CB-CD1 4.04Å; P110-L115 HydrophobicContact CB-CD2 3.89Å; P110-L115 HydrophobicContact CB-CG 3.93Å; P110-K254 HydrophobicContact CG-CB 4.31Å; P110-K255 HydrophobicContact CB-CG 4.49Å; P110-K255 HydrophobicContact CG-CG 4.45Å; P110-A258 WeakPolarHBondContact O-CB 3.43Å | ||
| 111 | S | 66.4 | Low | 66.1 | Low | 36 Ų | 36 | 84 Ų | 84 | 25% | 0.252 | 48% | 0.483 | S | S | . | . | trans | -75.8 | 151.3 | 173 | 103.8 | 0 | 0 | 0 | 0 | 107.6 | G109 E113 A114 L115 | G109-S111 PolarHBondContact O-N 3.16Å; S111-E113 VanDerWaalsContact CB-OE2 3.32Å; S111-E113 WeakPolarHBondContact CB-OE2 3.43Å; S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 PolarHBondContact OG-N 2.95Å; S111-E113 PolarHBondContact OG-OE2 3.42Å; S111-A114 PolarHBondContact O-N 3.45Å; S111-A114 VanDerWaalsContact O-N 3.13Å; S111-A114 PolarHBondContact OG-N 3.05Å; S111-L115 PolarHBondContact O-N 3.3Å | ||
| 112 | P | 66.1 | Low | 65 | Low | 20 Ų | 20 | 88.7 Ų | 88.7 | 13% | 0.13 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -51.9 | -41.4 | 175.7 | -23 | 32.6 | 0 | 0 | 0 | 111.6 | L115 L116 A258 R261 | P112-L115 PolarHBondContact O-N 2.65Å; P112-L116 VanDerWaalsContact O-CD1 3.3Å; P112-L116 WeakPolarHBondContact O-CD1 3.44Å; P112-L116 WeakPolarHBondContact O-CG 3.32Å; P112-L116 PolarHBondContact O-N 3.41Å; P112-L116 VanDerWaalsContact O-N 3.11Å; P112-A258 WeakPolarHBondContact CG-O 3.29Å; P112-R261 HydrophobicContact CG-CB 4.3Å |
| 113 | E | 69.5 | Low | 63.8 | Low | 129 Ų | 129 | 89.7 Ų | 89.7 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 178.9 | -54.4 | 78.3 | -159.1 | 0 | 0 | 112 | S111 L115 L116 S117 | S111-E113 VanDerWaalsContact CB-OE2 3.32Å; S111-E113 WeakPolarHBondContact CB-OE2 3.43Å; S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 PolarHBondContact OG-N 2.95Å; S111-E113 PolarHBondContact OG-OE2 3.42Å; E113-L115 PolarHBondContact O-N 3.05Å; E113-L116 PolarHBondContact O-N 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 3.28Å |
| 114 | A | 72.2 | Confident | 63 | Low | 41 Ų | 41 | 93.5 Ų | 93.5 | 34% | 0.339 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S111 Q118 | S111-A114 PolarHBondContact O-N 3.45Å; S111-A114 VanDerWaalsContact O-N 3.13Å; S111-A114 PolarHBondContact OG-N 3.05Å; A114-Q118 VanDerWaalsContact O-CG 3.29Å; A114-Q118 WeakPolarHBondContact O-CG 3.5Å; A114-Q118 PolarHBondContact O-N 3.47Å |
| 115 | L | 70.1 | Confident | 62 | Low | 15 Ų | 15 | 88.5 Ų | 88.5 | 8% | 0.079 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 176 | -70.2 | 174.8 | 0 | 0 | 0 | 112.1 | P110 S111 P112 E113 Q118 L119 K255 A258 L259 | P110-L115 HydrophobicContact CB-CD1 4.04Å; P110-L115 HydrophobicContact CB-CD2 3.89Å; P110-L115 HydrophobicContact CB-CG 3.93Å; S111-L115 PolarHBondContact O-N 3.3Å; P112-L115 PolarHBondContact O-N 2.65Å; E113-L115 PolarHBondContact O-N 3.05Å; L115-Q118 PolarHBondContact O-N 3.48Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.48Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L115-K255 HydrophobicContact CD1-CB 4.15Å; L115-K255 HydrophobicContact CD1-CG 4.32Å; L115-K255 HydrophobicContact CD2-CD 4.19Å; L115-K255 HydrophobicContact CD2-CG 3.97Å; L115-A258 HydrophobicContact CD1-CB 4Å; L115-L259 HydrophobicContact CD1-CD2 4.22Å; L115-L259 HydrophobicContact CD1-CG 4.07Å |
| 116 | L | 70.3 | Confident | 61.3 | Low | 51 Ų | 51 | 87 Ų | 87 | 27% | 0.267 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 175.9 | -66.1 | 160.2 | 0 | 0 | 0 | 111.6 | P112 E113 Q118 L119 S120 Y262 | P112-L116 VanDerWaalsContact O-CD1 3.3Å; P112-L116 WeakPolarHBondContact O-CD1 3.44Å; P112-L116 WeakPolarHBondContact O-CG 3.32Å; P112-L116 PolarHBondContact O-N 3.41Å; P112-L116 VanDerWaalsContact O-N 3.11Å; E113-L116 PolarHBondContact O-N 3.29Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-S120 PolarHBondContact O-N 3.43Å; L116-Y262 HydrophobicContact CD1-CD2 3.44Å; L116-Y262 VanDerWaalsContact CD1-CD2 3.44Å; L116-Y262 HydrophobicContact CD1-CE1 4.4Å; L116-Y262 HydrophobicContact CD1-CE2 3.08Å; L116-Y262 HydrophobicContact CD1-CG 4.25Å; L116-Y262 HydrophobicContact CD2-CE1 4.04Å; L116-Y262 HydrophobicContact CD2-CE2 4.17Å; L116-Y262 HydrophobicContact CG-CE2 4.21Å |
| 117 | S | 70.9 | Confident | 60.7 | Low | 65 Ų | 65 | 88.6 Ų | 88.6 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 173 | -177 | 0 | 0 | 0 | 0 | 111.2 | E113 L119 S120 C121 | E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 3.28Å; S117-L119 PolarHBondContact O-N 3.03Å; S117-S120 WeakPolarHBondContact CA-OG 3.48Å; S117-S120 PolarHBondContact O-N 3.12Å; S117-S120 VanDerWaalsContact O-N 3.12Å; S117-S120 PolarHBondContact O-OG 3.08Å; S117-C121 PolarHBondContact O-N 3.47Å; S117-C121 PolarHBondContact O-SG 3.28Å |
| 118 | Q | 71.6 | Confident | 60 | Low | 106 Ų | 106 | 92.7 Ų | 92.7 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 173.9 | -75 | 171.9 | 13.7 | 0 | 0 | 112.3 | A114 L115 L116 S120 C121 F122 | A114-Q118 VanDerWaalsContact O-CG 3.29Å; A114-Q118 WeakPolarHBondContact O-CG 3.5Å; A114-Q118 PolarHBondContact O-N 3.47Å; L115-Q118 PolarHBondContact O-N 3.48Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.36Å; Q118-S120 VanDerWaalsContact C-N 3.3Å; Q118-S120 PolarHBondContact O-N 2.95Å; Q118-C121 PolarHBondContact O-N 3.17Å; Q118-F122 VanDerWaalsContact O-CD2 3.31Å; Q118-F122 WeakPolarHBondContact O-CD2 3.3Å; Q118-F122 PolarHBondContact O-N 3.31Å |
| 119 | L | 69.8 | Low | 58.6 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -36.8 | 175.6 | -67.8 | 170.7 | 0 | 0 | 0 | 112.1 | L115 L116 S117 C121 F122 | L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.48Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L116-L119 PolarHBondContact O-N 2.99Å; S117-L119 PolarHBondContact O-N 3.03Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.24Å; L119-F122 PolarHBondContact O-N 3.42Å |
| 120 | S | 64.3 | Low | 58.2 | Low | 64 Ų | 64 | 99.2 Ų | 99.2 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.3 | -28.5 | 177.1 | 75.4 | 0 | 0 | 0 | 0 | 113.8 | L116 S117 Q118 N123 | L116-S120 PolarHBondContact O-N 3.43Å; S117-S120 WeakPolarHBondContact CA-OG 3.48Å; S117-S120 PolarHBondContact O-N 3.12Å; S117-S120 VanDerWaalsContact O-N 3.12Å; S117-S120 PolarHBondContact O-OG 3.08Å; Q118-S120 VanDerWaalsContact C-N 3.3Å; Q118-S120 PolarHBondContact O-N 2.95Å; S120-N123 PolarHBondContact O-N 3.34Å |
| 121 | C | 55.7 | Low | 57 | Low | 67 Ų | 67 | 104.8 Ų | 104.8 | 45% | 0.453 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75 | -31.8 | 177.2 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | S117 Q118 L119 N123 R124 S125 | S117-C121 PolarHBondContact O-N 3.47Å; S117-C121 PolarHBondContact O-SG 3.28Å; Q118-C121 PolarHBondContact O-N 3.17Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.24Å; C121-N123 VanDerWaalsContact C-N 3.26Å; C121-N123 PolarHBondContact O-N 3.27Å; C121-R124 PolarHBondContact O-N 2.93Å; C121-R124 VanDerWaalsContact O-N 3.16Å; C121-S125 PolarHBondContact O-N 3.49Å; C121-S125 PolarHBondContact O-OG 3.13Å |
| 122 | F | 56.7 | Low | 55.5 | Low | 155 Ų | 155 | 106.4 Ų | 106.4 | 68% | 0.68 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.1 | -37.8 | 172.6 | -85.8 | -84 | 0 | 0 | 0 | 111.2 | Q118 L119 R124 S125 | Q118-F122 VanDerWaalsContact O-CD2 3.31Å; Q118-F122 WeakPolarHBondContact O-CD2 3.3Å; Q118-F122 PolarHBondContact O-N 3.31Å; L119-F122 PolarHBondContact O-N 3.42Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.36Å; F122-S125 PolarHBondContact O-N 3.2Å |
| 123 | N | 52.7 | Low | 54.4 | Low | 140 Ų | 140 | 109 Ų | 109 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -18.1 | 175.8 | -88.3 | 25.4 | 0 | 0 | 0 | 115.1 | S120 C121 | S120-N123 PolarHBondContact O-N 3.34Å; C121-N123 VanDerWaalsContact C-N 3.26Å; C121-N123 PolarHBondContact O-N 3.27Å |
| 124 | R | 52.5 | Low | 52.8 | Low | 210 Ų | 210 | 114.3 Ų | 114.3 | 79% | 0.792 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -10.8 | 178.3 | -59.3 | -167.9 | 91.8 | -150.4 | 6.9 | 113.4 | C121 F122 | C121-R124 PolarHBondContact O-N 2.93Å; C121-R124 VanDerWaalsContact O-N 3.16Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.36Å |
| 125 | S | 47.1 | Very low | 51.2 | Low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.6 | -172.3 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | C121 F122 | C121-S125 PolarHBondContact O-N 3.49Å; C121-S125 PolarHBondContact O-OG 3.13Å; F122-S125 PolarHBondContact O-N 3.2Å |
| 126 | E | 45 | Very low | 49.6 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -0.8 | -176.7 | -72.7 | -173.8 | 158.8 | 0 | 0 | 114.9 | ||
| 127 | T | 40.5 | Very low | 47.9 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -106.3 | 89.4 | 173.2 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 128 | H | 38.3 | Very low | 46.5 | Very low | 162 Ų | 162 | 131 Ų | 131 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | 33.8 | 108.4 | 156.9 | -73.6 | -89.4 | 0 | 0 | 0 | 118.8 | ||||
| 129 | S | 27.2 | Very low | 45.2 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -142.9 | 87.7 | 141.4 | -75 | 0 | 0 | 0 | 0 | 108.6 | D131 | S129-D131 PolarHBondContact O-N 2.55Š| ||
| 130 | L | 53.1 | Low | 44 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -77.9 | 98.5 | 161 | -79.8 | 162.7 | 0 | 0 | 0 | 107.3 | ||||
| 131 | D | 38.2 | Very low | 43.1 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -170.7 | 146.1 | 136.1 | -144.1 | -12 | 0 | 0 | 0 | 111.9 | S129 | S129-D131 PolarHBondContact O-N 2.55Š| ||
| 132 | G | 34.8 | Very low | 42.1 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 102.8 | 65.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 133 | G | 42.9 | Very low | 41.4 | Very low | 73 Ų | 73 | 150 Ų | 150 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 0.8 | 135.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 134 | R | 35.3 | Very low | 40.5 | Very low | 242 Ų | 242 | 151.6 Ų | 151.6 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | 176.6 | 133.6 | 111.8 | -97.9 | 170.5 | 166.7 | -114.8 | -1.1 | 113 | |||||
| 135 | S | 38.3 | Very low | 40 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 81.3 | 72.7 | 150.9 | -63.2 | 0 | 0 | 0 | 0 | 119.5 | A137 | S135-A137 PolarHBondContact O-N 3.28Š| ||
| 136 | E | 36.3 | Very low | 39.4 | Very low | 205 Ų | 205 | 149.4 Ų | 149.4 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -74.4 | 90.2 | 154.3 | -68.4 | 176.4 | 133.6 | 0 | 0 | 110.6 | ||||
| 137 | A | 35.4 | Very low | 39.2 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | trans | -147.3 | 35.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S135 | S135-A137 PolarHBondContact O-N 3.28Š| ||
| 138 | S | 42 | Very low | 39 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -153.2 | 34 | 173.4 | -75.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 139 | R | 42.8 | Very low | 39 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -129.3 | 76.8 | 169.4 | -63.3 | -172.2 | -172.6 | 172.5 | 3 | 109.8 | ||||
| 140 | I | 44.5 | Very low | 39.7 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -132.4 | 126.8 | 163.3 | -48.2 | -178.5 | 0 | 0 | 0 | 106.2 | ||||
| 141 | L | 45 | Very low | 39.1 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | 81.5 | 91.7 | 175.5 | -44.6 | -176.7 | 0 | 0 | 0 | 115.4 | ||||
| 142 | D | 36.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | -163.5 | 94 | 109.2 | -85.3 | -29.2 | 0 | 0 | 0 | 108 | |||||
| 143 | E | 42.1 | Very low | 39.5 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -104.1 | 100.4 | 171.4 | -164.3 | -100.1 | 127.8 | 0 | 0 | 106.2 | ||||
| 144 | E | 33 | Very low | 39.7 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -166.1 | 122.9 | 145.2 | -124.8 | 178.7 | 151.3 | 0 | 0 | 111.5 | ||||
| 145 | S | 42.9 | Very low | 40.3 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 61.4 | 103.4 | 146 | -87.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 146 | L | 33.8 | Very low | 40.6 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | -169 | 136.2 | 83.5 | -82.7 | 173.7 | 0 | 0 | 0 | 109.1 | E148 | L146-E148 PolarHBondContact O-N 2.74Š| |||
| 147 | S | 40 | Very low | 41.2 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -58.3 | 112.2 | 179.8 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 148 | E | 37.3 | Very low | 41.8 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -107.3 | 115.2 | 154.1 | -71.3 | -163.4 | 130 | 0 | 0 | 107.1 | L146 E150 | L146-E148 PolarHBondContact O-N 2.74Å; E148-E150 VanDerWaalsContact C-N 3.29Å; E148-E150 PolarHBondContact O-N 3.4Å | ||
| 149 | E | 37.5 | Very low | 42.3 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -61.9 | 96.8 | 167.1 | -170 | -179.9 | 147.5 | 0 | 0 | 107.4 | Q151 | E149-Q151 HydrophobicContact CG-CG 4.47Å; E149-Q151 PolarHBondContact O-N 3.24Å; E149-Q151 PolarHBondContact OE1-NE2 2.96Å | ||
| 150 | E | 41.6 | Very low | 42.7 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -66.8 | 81.7 | 173.7 | -173.6 | 173.9 | -175.2 | 0 | 0 | 108.6 | E148 G152 | E148-E150 VanDerWaalsContact C-N 3.29Å; E148-E150 PolarHBondContact O-N 3.4Å; E150-G152 PolarHBondContact O-N 3.11Å; E150-G152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | Q | 40.4 | Very low | 43.2 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | -70.6 | 101.4 | 161.3 | -78.3 | 167.5 | 16.5 | 0 | 0 | 106.5 | E149 | E149-Q151 HydrophobicContact CG-CG 4.47Å; E149-Q151 PolarHBondContact O-N 3.24Å; E149-Q151 PolarHBondContact OE1-NE2 2.96Å | ||
| 152 | G | 41.7 | Very low | 43.4 | Very low | 42 Ų | 42 | 143.5 Ų | 143.5 | 43% | 0.433 | 75% | 0.75 | S | S | . | * | trans | -55.7 | 175.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | E150 L154 | E150-G152 PolarHBondContact O-N 3.11Å; E150-G152 VanDerWaalsContact O-N 3.08Å; G152-L154 PolarHBondContact O-N 3.02Å | ||
| 153 | P | 41.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -55 | 110.4 | -171.8 | -22.3 | 31.9 | 0 | 0 | 0 | 111.4 | V155 | P153-V155 PolarHBondContact O-N 3.12Š| ||
| 154 | L | 46.2 | Very low | 44.4 | Very low | 137 Ų | 137 | 137 Ų | 137 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | trans | -60.3 | 105.4 | 173.6 | -77.9 | 155.8 | 0 | 0 | 0 | 108.1 | G152 L156 | G152-L154 PolarHBondContact O-N 3.02Å; L154-L156 PolarHBondContact O-N 3.4Å | ||
| 155 | V | 47.3 | Very low | 45.3 | Very low | 98 Ų | 98 | 135 Ų | 135 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | trans | -53.6 | 127.8 | 169.2 | 176.1 | 0 | 0 | 0 | 0 | 107.7 | P153 D157 Q158 | P153-V155 PolarHBondContact O-N 3.12Å; V155-D157 HydrophobicContact CG1-CB 4.09Å; V155-D157 PolarHBondContact O-N 3.12Å; V155-Q158 PolarHBondContact O-N 3.06Å | ||
| 156 | L | 46 | Very low | 45.6 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -52.5 | -13.6 | -174.9 | -171.7 | 65.9 | 0 | 0 | 0 | 114.3 | L154 Q158 | L154-L156 PolarHBondContact O-N 3.4Å; L156-Q158 VanDerWaalsContact C-N 3.35Å |
| 157 | D | 47.5 | Very low | 46.3 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -78.7 | -11.9 | 179.7 | -154.9 | 43.5 | 0 | 0 | 0 | 113.9 | V155 | V155-D157 HydrophobicContact CG1-CB 4.09Å; V155-D157 PolarHBondContact O-N 3.12Å |
| 158 | Q | 49.6 | Very low | 46.8 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 58% | 0.579 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -100.1 | 3.1 | -177.7 | -69 | -176.3 | 39.7 | 0 | 0 | 115.2 | V155 L156 | V155-Q158 PolarHBondContact O-N 3.06Å; L156-Q158 VanDerWaalsContact C-N 3.35Å |
| 159 | T | 51 | Low | 47.3 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 64% | 0.644 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -82.6 | -12.3 | -177.3 | -38.3 | 0 | 0 | 0 | 0 | 113.6 | R161 | T159-R161 PolarHBondContact O-N 3.3Š|
| 160 | W | 52.1 | Low | 47.9 | Very low | 241 Ų | 241 | 127 Ų | 127 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | trans | -97.2 | 68.7 | 170.2 | -64.7 | 102.8 | 0 | 0 | 0 | 110.5 | G162 | W160-G162 PolarHBondContact O-N 2.83Š| ||
| 161 | R | 54.6 | Low | 48.5 | Very low | 205 Ų | 205 | 123.7 Ų | 123.7 | 77% | 0.774 | 69% | 0.686 | S | S | * | * | trans | -77 | 104.9 | 149 | -88.3 | -150.4 | -92.4 | -83.4 | 5.1 | 106 | T159 D163 | T159-R161 PolarHBondContact O-N 3.3Å; R161-D163 PolarHBondContact O-N 2.94Å | ||
| 162 | G | 49.4 | Very low | 49.1 | Very low | 62 Ų | 62 | 120.1 Ų | 120.1 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | trans | -44.4 | 131.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | W160 P164 | W160-G162 PolarHBondContact O-N 2.83Å; G162-P164 VanDerWaalsContact O-CD 3.23Å; G162-P164 WeakPolarHBondContact O-CD 3.21Å; G162-P164 VanDerWaalsContact O-N 3.09Å | ||
| 163 | D | 46.7 | Very low | 49.7 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | trans | -53.5 | 111.7 | -178.7 | -172.2 | 6.3 | 0 | 0 | 0 | 109.4 | R161 D165 S166 | R161-D163 PolarHBondContact O-N 2.94Å; D163-D165 PolarHBondContact O-N 2.84Å; D163-D165 PolarHBondContact OD1-N 2.85Å; D163-S166 PolarHBondContact O-N 2.9Å | ||
| 164 | P | 52.9 | Low | 50.2 | Low | 108 Ų | 108 | 123.1 Ų | 123.1 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -7.3 | -179.8 | 29.1 | -31.6 | 0 | 0 | 0 | 112.5 | G162 | G162-P164 VanDerWaalsContact O-CD 3.23Å; G162-P164 WeakPolarHBondContact O-CD 3.21Å; G162-P164 VanDerWaalsContact O-N 3.09Å |
| 165 | D | 50.8 | Low | 50.9 | Low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 17.7 | -179.9 | -64.8 | -21.4 | 0 | 0 | 0 | 112.9 | D163 E167 | D163-D165 PolarHBondContact O-N 2.84Å; D163-D165 PolarHBondContact OD1-N 2.85Å; D165-E167 PolarHBondContact O-N 3.24Å |
| 166 | S | 50 | Low | 51.5 | Low | 91 Ų | 91 | 124.1 Ų | 124.1 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 51.3 | 170.9 | -144 | 0 | 0 | 0 | 0 | 111.7 | D163 A168 | D163-S166 PolarHBondContact O-N 2.9Å; S166-A168 PolarHBondContact O-N 3Å; S166-A168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | E | 47.5 | Very low | 52.6 | Low | 158 Ų | 158 | 118.1 Ų | 118.1 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -79.1 | 49.4 | 157.9 | -50.8 | -161.2 | 177.5 | 0 | 0 | 108.4 | D165 D169 | D165-E167 PolarHBondContact O-N 3.24Å; E167-D169 PolarHBondContact O-N 3.46Å | ||
| 168 | A | 51.2 | Low | 53.7 | Low | 83 Ų | 83 | 116.7 Ų | 116.7 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | trans | -71.7 | 73.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | S166 S170 | S166-A168 PolarHBondContact O-N 3Å; S166-A168 VanDerWaalsContact O-N 3.08Å; A168-S170 PolarHBondContact O-N 2.98Å | ||
| 169 | D | 48.6 | Very low | 54.7 | Low | 129 Ų | 129 | 112.8 Ų | 112.8 | 69% | 0.69 | 62% | 0.624 | S | S | * | * | trans | -42.4 | 116.1 | 160.8 | -83.4 | -34.1 | 0 | 0 | 0 | 106.3 | E167 V171 | E167-D169 PolarHBondContact O-N 3.46Å; D169-V171 HydrophobicContact CB-CG2 3.5Å; D169-V171 PolarHBondContact O-N 3.25Å | ||
| 170 | S | 50.1 | Low | 55.5 | Low | 95 Ų | 95 | 111.4 Ų | 111.4 | 66% | 0.664 | 61% | 0.609 | S | S | * | * | trans | -68.2 | 72.2 | 165.3 | 57.4 | 0 | 0 | 0 | 0 | 107.5 | A168 D172 S173 | A168-S170 PolarHBondContact O-N 2.98Å; S170-D172 PolarHBondContact O-N 3.4Å; S170-S173 PolarHBondContact O-OG 3.47Å | ||
| 171 | V | 52.7 | Low | 56.6 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 38.1 | 173.2 | -165.2 | 0 | 0 | 0 | 0 | 110 | D169 | D169-V171 HydrophobicContact CB-CG2 3.5Å; D169-V171 PolarHBondContact O-N 3.25Å |
| 172 | D | 54 | Low | 57.6 | Low | 72 Ų | 72 | 100.2 Ų | 100.2 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.1 | -5.7 | -179.9 | -139.3 | 48.9 | 0 | 0 | 0 | 112.2 | S170 D174 R200 | S170-D172 PolarHBondContact O-N 3.4Å; D172-D174 VanDerWaalsContact C-N 3.26Å; D172-D174 PolarHBondContact O-N 3.25Å; D172-R200 VanDerWaalsContact CG-NH2 3.32Å; D172-R200 IonicContact OD1-CZ 3.49Å; D172-R200 IonicContact OD1-NE 3.47Å; D172-R200 PolarHBondContact OD1-NE 3.09Å; D172-R200 IonicContact OD1-NH2 3.33Å; D172-R200 PolarHBondContact OD1-NH2 3.29Å; D172-R200 WeakPolarHBondContact OD2-CD 3.47Å; D172-R200 IonicContact OD2-CZ 2.54Å; D172-R200 IonicContact OD2-NE 3.16Å; D172-R200 PolarHBondContact OD2-NE 2.93Å; D172-R200 IonicContact OD2-NH2 3.61Å |
| 173 | S | 53.9 | Low | 58.6 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -12.4 | 175.4 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | S170 | S170-S173 PolarHBondContact O-OG 3.47Š|
| 174 | D | 53 | Low | 60.1 | Low | 129 Ų | 129 | 101.1 Ų | 101.1 | 69% | 0.69 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 5.4 | -167.4 | -69.1 | 1 | 0 | 0 | 0 | 114.3 | D172 E176 | D172-D174 VanDerWaalsContact C-N 3.26Å; D172-D174 PolarHBondContact O-N 3.25Å; D174-E176 PolarHBondContact O-N 3.45Å |
| 175 | H | 59.1 | Low | 61.5 | Low | 134 Ų | 134 | 100.5 Ų | 100.5 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -80.9 | 78.8 | 161.4 | -161 | 54.9 | 0 | 0 | 0 | 108.4 | D177 R200 | H175-D177 PolarHBondContact O-N 2.81Å; H175-R200 VanDerWaalsContact CB-NH1 3.26Å |
| 176 | E | 60.9 | Low | 63.3 | Low | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | trans | -50.6 | 111.7 | 178.6 | -73 | -165.8 | 142.7 | 0 | 0 | 110.4 | D174 P178 K180 | D174-E176 PolarHBondContact O-N 3.45Å; E176-P178 VanDerWaalsContact O-CD 3.26Å; E176-P178 WeakPolarHBondContact O-CD 3.11Å; E176-P178 VanDerWaalsContact O-N 3.08Å; E176-K180 HydrophobicContact CB-CD 3.87Å; E176-K180 HydrophobicContact CG-CD 4.08Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.52Å; E176-K180 PolarHBondContact OE1-NZ 3.34Å; E176-K180 WeakPolarHBondContact OE2-CE 3.43Å; E176-K180 IonicContact OE2-NZ 2.68Å; E176-K180 PolarHBondContact OE2-NZ 3.13Å | ||
| 177 | D | 69.9 | Low | 65.1 | Low | 32 Ų | 32 | 97.4 Ų | 97.4 | 17% | 0.171 | 57% | 0.571 | C | S | . | * | trans | -46.6 | 115.8 | 167.2 | 169 | 13.4 | 0 | 0 | 0 | 108.1 | H175 L179 K180 Y185 I193 | H175-D177 PolarHBondContact O-N 2.81Å; D177-L179 PolarHBondContact O-N 2.82Å; D177-L179 PolarHBondContact OD1-N 3.45Å; D177-K180 HydrophobicContact CB-CB 4.28Å; D177-K180 VanDerWaalsContact O-CB 3.24Å; D177-K180 WeakPolarHBondContact O-CB 3.37Å; D177-K180 WeakPolarHBondContact O-CG 3.41Å; D177-K180 PolarHBondContact O-N 3.49Å; D177-Y185 WeakPolarHBondContact OD2-CE1 3.31Å; D177-Y185 PolarHBondContact OD2-OH 2.91Å; D177-I193 WeakPolarHBondContact OD1-CD1 3.23Å | ||
| 178 | P | 70.3 | Confident | 67 | Low | 119 Ų | 119 | 97.4 Ų | 97.4 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -21.4 | -178.8 | -27.6 | 35.9 | 0 | 0 | 0 | 113.4 | E176 | E176-P178 VanDerWaalsContact O-CD 3.26Å; E176-P178 WeakPolarHBondContact O-CD 3.11Å; E176-P178 VanDerWaalsContact O-N 3.08Å |
| 179 | L | 69 | Low | 68.7 | Low | 42 Ų | 42 | 96.3 Ų | 96.3 | 22% | 0.22 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | 5.5 | 178.1 | -74.7 | 117.2 | 0 | 0 | 0 | 114.8 | D177 H181 A182 Y185 E189 I193 | D177-L179 PolarHBondContact O-N 2.82Å; D177-L179 PolarHBondContact OD1-N 3.45Å; L179-H181 PolarHBondContact O-N 3.16Å; L179-A182 HydrophobicContact CB-CB 4.26Å; L179-A182 HydrophobicContact CD2-CB 4.02Å; L179-A182 VanDerWaalsContact O-CB 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.43Å; L179-A182 PolarHBondContact O-N 3.15Å; L179-Y185 HydrophobicContact CB-CD1 4Å; L179-Y185 HydrophobicContact CB-CE1 3.45Å; L179-Y185 VanDerWaalsContact CB-CE1 3.45Å; L179-Y185 HydrophobicContact CD2-CD1 4.47Å; L179-Y185 PolarHBondContact O-OH 3.5Å; L179-E189 HydrophobicContact CD1-CB 4.38Å; L179-E189 HydrophobicContact CD1-CG 4.25Å; L179-E189 HydrophobicContact CD2-CG 4.17Å; L179-E189 WeakPolarHBondContact CD2-OE1 3.46Å; L179-I193 HydrophobicContact CD1-CD1 4.39Å |
| 180 | K | 68.9 | Low | 70.6 | Confident | 75 Ų | 75 | 93.4 Ų | 93.4 | 33% | 0.326 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.6 | -177.7 | 69.6 | -173.9 | 174.1 | 122.3 | 0 | 115.4 | E176 D177 | E176-K180 HydrophobicContact CB-CD 3.87Å; E176-K180 HydrophobicContact CG-CD 4.08Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.52Å; E176-K180 PolarHBondContact OE1-NZ 3.34Å; E176-K180 WeakPolarHBondContact OE2-CE 3.43Å; E176-K180 IonicContact OE2-NZ 2.68Å; E176-K180 PolarHBondContact OE2-NZ 3.13Å; D177-K180 HydrophobicContact CB-CB 4.28Å; D177-K180 VanDerWaalsContact O-CB 3.24Å; D177-K180 WeakPolarHBondContact O-CB 3.37Å; D177-K180 WeakPolarHBondContact O-CG 3.41Å; D177-K180 PolarHBondContact O-N 3.49Å |
| 181 | H | 74.4 | Confident | 72.5 | Confident | 155 Ų | 155 | 91.5 Ų | 91.5 | 72% | 0.718 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 3.3 | 177.8 | -49.9 | 115.6 | 0 | 0 | 0 | 113.9 | L179 G183 | L179-H181 PolarHBondContact O-N 3.16Å; H181-G183 VanDerWaalsContact C-N 3.27Å; H181-G183 PolarHBondContact O-N 3.42Å |
| 182 | A | 75.7 | Confident | 74.2 | Confident | 57 Ų | 57 | 90.8 Ų | 90.8 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -72.6 | -17.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L179 V184 | L179-A182 HydrophobicContact CB-CB 4.26Å; L179-A182 HydrophobicContact CD2-CB 4.02Å; L179-A182 VanDerWaalsContact O-CB 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.43Å; L179-A182 PolarHBondContact O-N 3.15Å; A182-V184 PolarHBondContact O-N 3.33Å |
| 183 | G | 69.9 | Low | 75.7 | Confident | 70 Ų | 70 | 88.5 Ų | 88.5 | 72% | 0.722 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 74.2 | -29.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | H181 | H181-G183 VanDerWaalsContact C-N 3.27Å; H181-G183 PolarHBondContact O-N 3.42Å |
| 184 | V | 78.6 | Confident | 77.4 | Confident | 122 Ų | 122 | 87.6 Ų | 87.6 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -138.7 | 128.8 | 173.2 | -177 | 0 | 0 | 0 | 0 | 108.8 | A182 | A182-V184 PolarHBondContact O-N 3.33Š|
| 185 | Y | 83.2 | Confident | 79.3 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | trans | -101.4 | 139.4 | 178.6 | -66.1 | -97.3 | 0 | 0 | 0 | 110.8 | D177 L179 V190 I193 | D177-Y185 WeakPolarHBondContact OD2-CE1 3.31Å; D177-Y185 PolarHBondContact OD2-OH 2.91Å; L179-Y185 HydrophobicContact CB-CD1 4Å; L179-Y185 HydrophobicContact CB-CE1 3.45Å; L179-Y185 VanDerWaalsContact CB-CE1 3.45Å; L179-Y185 HydrophobicContact CD2-CD1 4.47Å; L179-Y185 PolarHBondContact O-OH 3.5Å; Y185-V190 HydrophobicContact CD1-CG2 4.48Å; Y185-V190 HydrophobicContact CG-CG2 4.22Å; Y185-I193 HydrophobicContact CD1-CD1 4.16Å; Y185-I193 HydrophobicContact CE1-CD1 3.87Å | ||
| 186 | T | 88.6 | Confident | 80.9 | Confident | 71 Ų | 71 | 87.8 Ų | 87.8 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | trans | -76.6 | 154.5 | 165.4 | 66.3 | 0 | 0 | 0 | 0 | 110.3 | E188 E189 V190 | T186-E188 PolarHBondContact O-N 2.95Å; T186-E189 WeakPolarHBondContact CB-OE2 3.41Å; T186-E189 PolarHBondContact N-OE2 3.45Å; T186-E189 PolarHBondContact O-N 2.95Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-N 3.34Å; T186-E189 PolarHBondContact OG1-OE2 3.06Å; T186-V190 WeakPolarHBondContact O-CG2 3.33Å; T186-V190 PolarHBondContact O-N 3.3Å; T186-V190 VanDerWaalsContact O-N 3.16Å | ||
| 187 | A | 86.8 | Confident | 82.3 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 72% | 0.719 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.5 | -31.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A191 | A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 2.78Å; A187-A191 VanDerWaalsContact O-N 3.1Å |
| 188 | E | 89.1 | Confident | 83.4 | Confident | 158 Ų | 158 | 92.3 Ų | 92.3 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.5 | -43.3 | 178.2 | -63 | 179 | -178.5 | 0 | 0 | 111.6 | T186 A191 L192 | T186-E188 PolarHBondContact O-N 2.95Å; E188-A191 PolarHBondContact O-N 2.72Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.35Å |
| 189 | E | 86.8 | Confident | 84.6 | Confident | 61 Ų | 61 | 90.3 Ų | 90.3 | 29% | 0.285 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.1 | -70.1 | 159.1 | 158.7 | 0 | 0 | 111.5 | L179 T186 A191 L192 I193 | L179-E189 HydrophobicContact CD1-CB 4.38Å; L179-E189 HydrophobicContact CD1-CG 4.25Å; L179-E189 HydrophobicContact CD2-CG 4.17Å; L179-E189 WeakPolarHBondContact CD2-OE1 3.46Å; T186-E189 WeakPolarHBondContact CB-OE2 3.41Å; T186-E189 PolarHBondContact N-OE2 3.45Å; T186-E189 PolarHBondContact O-N 2.95Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-N 3.34Å; T186-E189 PolarHBondContact OG1-OE2 3.06Å; E189-A191 VanDerWaalsContact C-N 3.31Å; E189-A191 PolarHBondContact O-N 3.46Å; E189-L192 PolarHBondContact O-N 3.08Å; E189-I193 WeakPolarHBondContact O-CD1 3.38Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.43Å; E189-I193 PolarHBondContact O-N 3.21Å |
| 190 | V | 87.3 | Confident | 85.7 | Confident | 67 Ų | 67 | 92.6 Ų | 92.6 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | Y185 T186 T194 | Y185-V190 HydrophobicContact CD1-CG2 4.48Å; Y185-V190 HydrophobicContact CG-CG2 4.22Å; T186-V190 WeakPolarHBondContact O-CG2 3.33Å; T186-V190 PolarHBondContact O-N 3.3Å; T186-V190 VanDerWaalsContact O-N 3.16Å; V190-T194 HydrophobicContact CG1-CG2 4.33Å; V190-T194 WeakPolarHBondContact O-CB 3.29Å; V190-T194 VanDerWaalsContact O-CG2 3.26Å; V190-T194 WeakPolarHBondContact O-CG2 3.4Å; V190-T194 PolarHBondContact O-N 3.19Å; V190-T194 PolarHBondContact O-OG1 3.28Å |
| 191 | A | 89.9 | Confident | 86.8 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A187 E188 E189 T194 R195 | A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 2.78Å; A187-A191 VanDerWaalsContact O-N 3.1Å; E188-A191 PolarHBondContact O-N 2.72Å; E189-A191 VanDerWaalsContact C-N 3.31Å; E189-A191 PolarHBondContact O-N 3.46Å; A191-T194 WeakPolarHBondContact CA-OG1 3.42Å; A191-T194 PolarHBondContact O-OG1 2.91Å; A191-R195 VanDerWaalsContact O-CB 3.28Å; A191-R195 WeakPolarHBondContact O-CB 3.26Å; A191-R195 PolarHBondContact O-N 3.23Å |
| 192 | L | 89 | Confident | 87.8 | Confident | 96 Ų | 96 | 91.3 Ų | 91.3 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -48 | 176.4 | -71.5 | 172.5 | 0 | 0 | 0 | 112 | E188 E189 T194 R195 E196 | E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.35Å; E189-L192 PolarHBondContact O-N 3.08Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-T194 PolarHBondContact O-N 3.04Å; L192-R195 PolarHBondContact O-N 3.47Å; L192-E196 WeakPolarHBondContact O-CG 3.34Å; L192-E196 PolarHBondContact O-N 2.89Å |
| 193 | I | 86.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 91 Ų | 91 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 179 | -67.2 | 162 | 0 | 0 | 0 | 110.8 | D177 L179 Y185 E189 E196 K197 | D177-I193 WeakPolarHBondContact OD1-CD1 3.23Å; L179-I193 HydrophobicContact CD1-CD1 4.39Å; Y185-I193 HydrophobicContact CD1-CD1 4.16Å; Y185-I193 HydrophobicContact CE1-CD1 3.87Å; E189-I193 WeakPolarHBondContact O-CD1 3.38Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.43Å; E189-I193 PolarHBondContact O-N 3.21Å; I193-E196 PolarHBondContact O-N 3.49Å; I193-K197 HydrophobicContact CG2-CD 4.03Å; I193-K197 WeakPolarHBondContact O-CB 3.11Å; I193-K197 VanDerWaalsContact O-CG 3.26Å; I193-K197 WeakPolarHBondContact O-CG 3.16Å; I193-K197 PolarHBondContact O-N 3.27Å |
| 194 | T | 88.9 | Confident | 89.9 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 178.3 | 51 | 0 | 0 | 0 | 0 | 112 | V190 A191 L192 K197 L198 | V190-T194 HydrophobicContact CG1-CG2 4.33Å; V190-T194 WeakPolarHBondContact O-CB 3.29Å; V190-T194 VanDerWaalsContact O-CG2 3.26Å; V190-T194 WeakPolarHBondContact O-CG2 3.4Å; V190-T194 PolarHBondContact O-N 3.19Å; V190-T194 PolarHBondContact O-OG1 3.28Å; A191-T194 WeakPolarHBondContact CA-OG1 3.42Å; A191-T194 PolarHBondContact O-OG1 2.91Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-T194 PolarHBondContact O-N 3.04Å; T194-K197 PolarHBondContact O-N 3.27Å; T194-L198 WeakPolarHBondContact O-CG 3.45Å; T194-L198 PolarHBondContact O-N 3.03Å |
| 195 | R | 93.6 | Very high | 90.8 | Very high | 156 Ų | 156 | 92.2 Ų | 92.2 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.6 | -47.6 | 173.6 | 179.1 | 177.5 | 178.6 | -100.2 | 0.7 | 111.6 | A191 L192 K197 L198 I199 | A191-R195 VanDerWaalsContact O-CB 3.28Å; A191-R195 WeakPolarHBondContact O-CB 3.26Å; A191-R195 PolarHBondContact O-N 3.23Å; L192-R195 PolarHBondContact O-N 3.47Å; R195-K197 PolarHBondContact O-N 3.2Å; R195-L198 PolarHBondContact O-N 3.39Å; R195-I199 HydrophobicContact CG-CD1 3.9Å; R195-I199 VanDerWaalsContact O-CG1 3.29Å; R195-I199 WeakPolarHBondContact O-CG1 3.09Å; R195-I199 PolarHBondContact O-N 2.93Å |
| 196 | E | 91.1 | Very high | 91.4 | Very high | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 178.6 | -73.9 | 176.6 | -174.1 | 0 | 0 | 112.2 | L192 I193 L198 I199 R200 | L192-E196 WeakPolarHBondContact O-CG 3.34Å; L192-E196 PolarHBondContact O-N 2.89Å; I193-E196 PolarHBondContact O-N 3.49Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.02Å; E196-I199 PolarHBondContact O-N 3.22Å; E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.37Å |
| 197 | K | 90.4 | Very high | 91.8 | Very high | 133 Ų | 133 | 92 Ų | 92 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 174.1 | -75.3 | 174.6 | 180 | 177.5 | 0 | 112.1 | I193 T194 R195 R200 L201 | I193-K197 HydrophobicContact CG2-CD 4.03Å; I193-K197 WeakPolarHBondContact O-CB 3.11Å; I193-K197 VanDerWaalsContact O-CG 3.26Å; I193-K197 WeakPolarHBondContact O-CG 3.16Å; I193-K197 PolarHBondContact O-N 3.27Å; T194-K197 PolarHBondContact O-N 3.27Å; R195-K197 PolarHBondContact O-N 3.2Å; K197-R200 PolarHBondContact O-N 2.67Å; K197-L201 VanDerWaalsContact O-CB 3.29Å; K197-L201 WeakPolarHBondContact O-CB 3.27Å; K197-L201 PolarHBondContact O-N 3.28Å |
| 198 | L | 93.9 | Very high | 92.3 | Very high | 114 Ų | 114 | 93.4 Ų | 93.4 | 60% | 0.597 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 176.4 | -73.1 | 173.8 | 0 | 0 | 0 | 112.1 | T194 R195 E196 L201 Q202 | T194-L198 WeakPolarHBondContact O-CG 3.45Å; T194-L198 PolarHBondContact O-N 3.03Å; R195-L198 PolarHBondContact O-N 3.39Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.02Å; L198-L201 PolarHBondContact O-N 3.45Å; L198-Q202 VanDerWaalsContact O-CB 3.3Å; L198-Q202 WeakPolarHBondContact O-CB 3.41Å; L198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | I | 94.6 | Very high | 92.6 | Very high | 78 Ų | 78 | 92.5 Ų | 92.5 | 40% | 0.4 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.7 | -68.2 | 165.9 | 0 | 0 | 0 | 110.5 | R195 E196 Q202 S203 | R195-I199 HydrophobicContact CG-CD1 3.9Å; R195-I199 VanDerWaalsContact O-CG1 3.29Å; R195-I199 WeakPolarHBondContact O-CG1 3.09Å; R195-I199 PolarHBondContact O-N 2.93Å; E196-I199 PolarHBondContact O-N 3.22Å; I199-Q202 PolarHBondContact O-N 3.44Å; I199-S203 PolarHBondContact O-N 3.27Å |
| 200 | R | 91.8 | Very high | 93.1 | Very high | 90 Ų | 90 | 95 Ų | 95 | 34% | 0.34 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 176.1 | -168.8 | -174.9 | -171.1 | 136.3 | -3.9 | 111.1 | D172 H175 E196 K197 Q202 S203 L204 | D172-R200 VanDerWaalsContact CG-NH2 3.32Å; D172-R200 IonicContact OD1-CZ 3.49Å; D172-R200 IonicContact OD1-NE 3.47Å; D172-R200 PolarHBondContact OD1-NE 3.09Å; D172-R200 IonicContact OD1-NH2 3.33Å; D172-R200 PolarHBondContact OD1-NH2 3.29Å; D172-R200 WeakPolarHBondContact OD2-CD 3.47Å; D172-R200 IonicContact OD2-CZ 2.54Å; D172-R200 IonicContact OD2-NE 3.16Å; D172-R200 PolarHBondContact OD2-NE 2.93Å; D172-R200 IonicContact OD2-NH2 3.61Å; H175-R200 VanDerWaalsContact CB-NH1 3.26Å; E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.37Å; K197-R200 PolarHBondContact O-N 2.67Å; R200-Q202 VanDerWaalsContact C-N 3.31Å; R200-Q202 PolarHBondContact O-N 3.08Å; R200-S203 PolarHBondContact O-N 3.03Å; R200-S203 VanDerWaalsContact O-N 3.13Å; R200-S203 PolarHBondContact O-OG 3.22Å; R200-L204 WeakPolarHBondContact O-CG 3.3Å; R200-L204 PolarHBondContact O-N 3.17Å |
| 201 | L | 93.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 42% | 0.424 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 177.3 | -176.7 | 64.4 | 0 | 0 | 0 | 111.4 | K197 L198 S203 L204 Y205 | K197-L201 VanDerWaalsContact O-CB 3.29Å; K197-L201 WeakPolarHBondContact O-CB 3.27Å; K197-L201 PolarHBondContact O-N 3.28Å; L198-L201 PolarHBondContact O-N 3.45Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-S203 PolarHBondContact O-N 3.42Å; L201-L204 PolarHBondContact O-N 3.48Å; L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.58Å; L201-Y205 HydrophobicContact CD2-CE2 4.15Å; L201-Y205 HydrophobicContact CG-CD2 3.88Å; L201-Y205 HydrophobicContact CG-CE2 3.65Å; L201-Y205 VanDerWaalsContact O-CD2 3.25Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 3.46Å |
| 202 | Q | 95.7 | Very high | 93.9 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 175.8 | -174.2 | -177.1 | 14.8 | 0 | 0 | 111.5 | L198 I199 R200 L204 Y205 I206 | L198-Q202 VanDerWaalsContact O-CB 3.3Å; L198-Q202 WeakPolarHBondContact O-CB 3.41Å; L198-Q202 PolarHBondContact O-N 3.46Å; I199-Q202 PolarHBondContact O-N 3.44Å; R200-Q202 VanDerWaalsContact C-N 3.31Å; R200-Q202 PolarHBondContact O-N 3.08Å; Q202-L204 PolarHBondContact O-N 3.25Å; Q202-Y205 PolarHBondContact O-N 3.24Å; Q202-I206 HydrophobicContact CG-CD1 4Å; Q202-I206 VanDerWaalsContact O-CG1 3.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.38Å; Q202-I206 PolarHBondContact O-N 3.09Å |
| 203 | S | 95.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 101.1 Ų | 101.1 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.8 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | I199 R200 L201 Y205 I206 D207 | I199-S203 PolarHBondContact O-N 3.27Å; R200-S203 PolarHBondContact O-N 3.03Å; R200-S203 VanDerWaalsContact O-N 3.13Å; R200-S203 PolarHBondContact O-OG 3.22Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-S203 PolarHBondContact O-N 3.42Å; S203-Y205 PolarHBondContact O-N 3.29Å; S203-I206 WeakPolarHBondContact O-CB 3.47Å; S203-I206 PolarHBondContact O-N 2.99Å; S203-D207 PolarHBondContact O-N 2.88Å |
| 204 | L | 94.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 105.2 Ų | 105.2 | 38% | 0.382 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176.1 | -68.8 | 173.1 | 0 | 0 | 0 | 111.7 | R200 L201 Q202 D207 Q208 | R200-L204 WeakPolarHBondContact O-CG 3.3Å; R200-L204 PolarHBondContact O-N 3.17Å; L201-L204 PolarHBondContact O-N 3.48Å; Q202-L204 PolarHBondContact O-N 3.25Å; L204-D207 PolarHBondContact O-N 3.39Å; L204-Q208 WeakPolarHBondContact O-CG 3.45Å; L204-Q208 PolarHBondContact O-N 3.41Å |
| 205 | Y | 96.7 | Very high | 95.2 | Very high | 144 Ų | 144 | 104.7 Ų | 104.7 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 175 | -84 | -61.7 | 0 | 0 | 0 | 112.5 | L201 Q202 S203 D207 Q208 F209 | L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.58Å; L201-Y205 HydrophobicContact CD2-CE2 4.15Å; L201-Y205 HydrophobicContact CG-CD2 3.88Å; L201-Y205 HydrophobicContact CG-CE2 3.65Å; L201-Y205 VanDerWaalsContact O-CD2 3.25Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 3.46Å; Q202-Y205 PolarHBondContact O-N 3.24Å; S203-Y205 PolarHBondContact O-N 3.29Å; Y205-D207 VanDerWaalsContact C-N 3.3Å; Y205-D207 PolarHBondContact O-N 2.83Å; Y205-Q208 PolarHBondContact O-N 3.42Å; Y205-F209 WeakPolarHBondContact O-CB 3Å; Y205-F209 PolarHBondContact O-N 3.2Å |
| 206 | I | 96.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 103.2 Ų | 103.2 | 40% | 0.395 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 175.4 | -71.7 | 166.4 | 0 | 0 | 0 | 110.1 | Q202 S203 F209 K210 | Q202-I206 HydrophobicContact CG-CD1 4Å; Q202-I206 VanDerWaalsContact O-CG1 3.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.38Å; Q202-I206 PolarHBondContact O-N 3.09Å; S203-I206 WeakPolarHBondContact O-CB 3.47Å; S203-I206 PolarHBondContact O-N 2.99Å; I206-F209 WeakPolarHBondContact O-CB 3.38Å; I206-F209 PolarHBondContact O-N 2.92Å; I206-K210 HydrophobicContact CG2-CD 4.29Å; I206-K210 VanDerWaalsContact CG2-CE 3.43Å; I206-K210 WeakPolarHBondContact O-CG 3.4Å; I206-K210 PolarHBondContact O-N 3.4Å |
| 207 | D | 96.9 | Very high | 95.6 | Very high | 85 Ų | 85 | 103.9 Ų | 103.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.6 | -36 | -179.1 | -72.1 | -16.4 | 0 | 0 | 0 | 112.8 | S203 L204 Y205 F209 K210 R211 | S203-D207 PolarHBondContact O-N 2.88Å; L204-D207 PolarHBondContact O-N 3.39Å; Y205-D207 VanDerWaalsContact C-N 3.3Å; Y205-D207 PolarHBondContact O-N 2.83Å; D207-F209 VanDerWaalsContact C-N 3.32Å; D207-F209 PolarHBondContact O-N 3.04Å; D207-K210 PolarHBondContact O-N 2.92Å; D207-K210 IonicContact OD1-NZ 3.32Å; D207-K210 PolarHBondContact OD1-NZ 3.34Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 PolarHBondContact O-N 3.08Å |
| 208 | Q | 96.9 | Very high | 95.9 | Very high | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 168.7 | -75.2 | -172.5 | 23.3 | 0 | 0 | 111.4 | L204 Y205 R211 L212 | L204-Q208 WeakPolarHBondContact O-CG 3.45Å; L204-Q208 PolarHBondContact O-N 3.41Å; Y205-Q208 PolarHBondContact O-N 3.42Å; Q208-R211 PolarHBondContact O-N 3.46Å; Q208-L212 WeakPolarHBondContact O-CG 3.33Å; Q208-L212 PolarHBondContact O-N 2.84Å |
| 209 | F | 95.7 | Very high | 96 | Very high | 139 Ų | 139 | 101.8 Ų | 101.8 | 61% | 0.61 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 177.3 | -177 | -99.6 | 0 | 0 | 0 | 111.7 | Y205 I206 D207 R211 L212 Q213 | Y205-F209 WeakPolarHBondContact O-CB 3Å; Y205-F209 PolarHBondContact O-N 3.2Å; I206-F209 WeakPolarHBondContact O-CB 3.38Å; I206-F209 PolarHBondContact O-N 2.92Å; D207-F209 VanDerWaalsContact C-N 3.32Å; D207-F209 PolarHBondContact O-N 3.04Å; F209-R211 VanDerWaalsContact C-N 3.33Å; F209-R211 PolarHBondContact O-N 3.48Å; F209-L212 PolarHBondContact O-N 3.26Å; F209-Q213 WeakPolarHBondContact O-CB 3.38Å; F209-Q213 PolarHBondContact O-N 3.15Å |
| 210 | K | 97.1 | Very high | 96.1 | Very high | 112 Ų | 112 | 104.8 Ų | 104.8 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 174.5 | -71.6 | 172.7 | -167.8 | 155.1 | 0 | 111.8 | I206 D207 Q213 H214 | I206-K210 HydrophobicContact CG2-CD 4.29Å; I206-K210 VanDerWaalsContact CG2-CE 3.43Å; I206-K210 WeakPolarHBondContact O-CG 3.4Å; I206-K210 PolarHBondContact O-N 3.4Å; D207-K210 PolarHBondContact O-N 2.92Å; D207-K210 IonicContact OD1-NZ 3.32Å; D207-K210 PolarHBondContact OD1-NZ 3.34Å; K210-Q213 PolarHBondContact O-N 3.41Å; K210-H214 PolarHBondContact O-N 2.76Å |
| 211 | R | 97.1 | Very high | 96.3 | Very high | 168 Ų | 168 | 109 Ų | 109 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -47.7 | 176.5 | 179.9 | 179.9 | 179.6 | -95.7 | 3.6 | 111.5 | D207 Q208 F209 Q213 H214 L215 | D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 PolarHBondContact O-N 3.08Å; Q208-R211 PolarHBondContact O-N 3.46Å; F209-R211 VanDerWaalsContact C-N 3.33Å; F209-R211 PolarHBondContact O-N 3.48Å; R211-Q213 VanDerWaalsContact C-N 3.32Å; R211-Q213 PolarHBondContact O-N 3.21Å; R211-H214 PolarHBondContact O-N 3.25Å; R211-L215 HydrophobicContact CG-CD1 4.29Å; R211-L215 WeakPolarHBondContact O-CG 3.42Å; R211-L215 PolarHBondContact O-N 2.78Å |
| 212 | L | 97.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 111.8 Ų | 111.8 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.5 | -73.5 | 171.3 | 0 | 0 | 0 | 111.5 | Q208 F209 H214 L215 L216 | Q208-L212 WeakPolarHBondContact O-CG 3.33Å; Q208-L212 PolarHBondContact O-N 2.84Å; F209-L212 PolarHBondContact O-N 3.26Å; L212-H214 PolarHBondContact O-N 2.68Å; L212-L215 PolarHBondContact O-N 3.17Å; L212-L216 WeakPolarHBondContact O-CB 3.34Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 3.2Å |
| 213 | Q | 96.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 113 Ų | 113 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.1 | -164.3 | -173.2 | 12.1 | 0 | 0 | 111.8 | F209 K210 R211 L216 K217 | F209-Q213 WeakPolarHBondContact O-CB 3.38Å; F209-Q213 PolarHBondContact O-N 3.15Å; K210-Q213 PolarHBondContact O-N 3.41Å; R211-Q213 VanDerWaalsContact C-N 3.32Å; R211-Q213 PolarHBondContact O-N 3.21Å; Q213-L216 PolarHBondContact O-N 2.78Å; Q213-K217 WeakPolarHBondContact O-CG 3.27Å; Q213-K217 PolarHBondContact O-N 2.83Å |
| 214 | H | 96.7 | Very high | 96.2 | Very high | 111 Ų | 111 | 114 Ų | 114 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 173.5 | -179.5 | -87 | 0 | 0 | 0 | 111.2 | K210 R211 L212 L216 K217 E218 | K210-H214 PolarHBondContact O-N 2.76Å; R211-H214 PolarHBondContact O-N 3.25Å; L212-H214 PolarHBondContact O-N 2.68Å; H214-L216 VanDerWaalsContact C-N 3.31Å; H214-L216 PolarHBondContact O-N 3.19Å; H214-K217 PolarHBondContact O-N 2.76Å; H214-K217 VanDerWaalsContact O-N 3.15Å; H214-E218 IonicContact CE1-OE2 3Å; H214-E218 PolarHBondContact CE1-OE2 2.81Å; H214-E218 IonicContact ND1-OE2 2.93Å; H214-E218 WeakPolarHBondContact O-CB 3.28Å; H214-E218 PolarHBondContact O-N 3.25Å |
| 215 | L | 97.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 116.7 Ų | 116.7 | 30% | 0.298 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 177.7 | -73.9 | 173 | 0 | 0 | 0 | 112.3 | R211 L212 E218 K219 | R211-L215 HydrophobicContact CG-CD1 4.29Å; R211-L215 WeakPolarHBondContact O-CG 3.42Å; R211-L215 PolarHBondContact O-N 2.78Å; L212-L215 PolarHBondContact O-N 3.17Å; L215-E218 PolarHBondContact O-N 3.46Å; L215-K219 VanDerWaalsContact O-CB 3.3Å; L215-K219 WeakPolarHBondContact O-CB 3.34Å; L215-K219 VanDerWaalsContact O-CG 3.31Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.29Å |
| 216 | L | 96.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 114.2 Ų | 114.2 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 174.7 | -77.2 | 171.1 | 0 | 0 | 0 | 111.7 | L212 Q213 H214 E218 K219 K220 | L212-L216 WeakPolarHBondContact O-CB 3.34Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 3.2Å; Q213-L216 PolarHBondContact O-N 2.78Å; H214-L216 VanDerWaalsContact C-N 3.31Å; H214-L216 PolarHBondContact O-N 3.19Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.81Å; L216-K219 PolarHBondContact O-N 2.75Å; L216-K220 WeakPolarHBondContact O-CB 3.33Å; L216-K220 PolarHBondContact O-N 3.08Å |
| 217 | K | 97.1 | Very high | 95.4 | Very high | 127 Ų | 127 | 117.1 Ų | 117.1 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 176.3 | -74.8 | 175.4 | 179.5 | 175.6 | 0 | 111.4 | Q213 H214 K220 R221 | Q213-K217 WeakPolarHBondContact O-CG 3.27Å; Q213-K217 PolarHBondContact O-N 2.83Å; H214-K217 PolarHBondContact O-N 2.76Å; H214-K217 VanDerWaalsContact O-N 3.15Å; K217-K220 PolarHBondContact O-N 2.76Å; K217-R221 WeakPolarHBondContact O-CB 3.49Å; K217-R221 PolarHBondContact O-N 2.86Å |
| 218 | E | 97.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 119.4 Ų | 119.4 | 26% | 0.257 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 179.7 | -168.6 | 176.9 | -178.2 | 0 | 0 | 111.9 | H214 L215 L216 K220 R221 R222 | H214-E218 IonicContact CE1-OE2 3Å; H214-E218 PolarHBondContact CE1-OE2 2.81Å; H214-E218 IonicContact ND1-OE2 2.93Å; H214-E218 WeakPolarHBondContact O-CB 3.28Å; H214-E218 PolarHBondContact O-N 3.25Å; L215-E218 PolarHBondContact O-N 3.46Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.81Å; E218-K220 VanDerWaalsContact C-N 3.31Å; E218-K220 PolarHBondContact O-N 3.33Å; E218-R221 WeakPolarHBondContact O-CB 3.42Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact O-N 3.15Å; E218-R222 WeakPolarHBondContact O-CG 3.42Å; E218-R222 PolarHBondContact O-N 3.13Å; E218-R222 IonicContact OE1-CZ 2.79Å; E218-R222 IonicContact OE1-NE 2.76Å; E218-R222 IonicContact OE1-NH2 3.41Å; E218-R222 PolarHBondContact OE1-NH2 3.5Å |
| 219 | K | 96 | Very high | 94.5 | Very high | 147 Ų | 147 | 118.3 Ų | 118.3 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 173.2 | -76.8 | -176.9 | 177.3 | -178 | 0 | 111.6 | L215 L216 R222 Y223 | L215-K219 VanDerWaalsContact O-CB 3.3Å; L215-K219 WeakPolarHBondContact O-CB 3.34Å; L215-K219 VanDerWaalsContact O-CG 3.31Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.29Å; L216-K219 PolarHBondContact O-N 2.75Å; K219-R222 PolarHBondContact O-N 2.83Å; K219-Y223 WeakPolarHBondContact O-CB 3.31Å; K219-Y223 PolarHBondContact O-N 3.05Å |
| 220 | K | 95.3 | Very high | 93.6 | Very high | 142 Ų | 142 | 116.9 Ų | 116.9 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -45.6 | 173.4 | -178.6 | -178.7 | 177.4 | -178.4 | 0 | 111.5 | L216 K217 E218 Y223 L224 | L216-K220 WeakPolarHBondContact O-CB 3.33Å; L216-K220 PolarHBondContact O-N 3.08Å; K217-K220 PolarHBondContact O-N 2.76Å; E218-K220 VanDerWaalsContact C-N 3.31Å; E218-K220 PolarHBondContact O-N 3.33Å; K220-Y223 PolarHBondContact O-N 2.96Å; K220-L224 HydrophobicContact CG-CD1 4.28Å; K220-L224 WeakPolarHBondContact O-CG 3.32Å; K220-L224 PolarHBondContact O-N 3.22Å |
| 221 | R | 97.1 | Very high | 92.6 | Very high | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -50.4 | 177.3 | -172.4 | -170.5 | -59.4 | -179.1 | 1.6 | 111.2 | K217 E218 Y223 L224 Q225 | K217-R221 WeakPolarHBondContact O-CB 3.49Å; K217-R221 PolarHBondContact O-N 2.86Å; E218-R221 WeakPolarHBondContact O-CB 3.42Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact O-N 3.15Å; R221-Y223 VanDerWaalsContact C-N 3.34Å; R221-Y223 PolarHBondContact O-N 3.49Å; R221-L224 PolarHBondContact O-N 3.39Å; R221-Q225 WeakPolarHBondContact O-CB 3.28Å; R221-Q225 PolarHBondContact O-N 3.46Å |
| 222 | R | 96.1 | Very high | 91.7 | Very high | 138 Ų | 138 | 115.2 Ų | 115.2 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177.3 | -68.1 | -179 | -168 | -174.4 | 3.3 | 111.7 | E218 K219 L224 Q225 N226 | E218-R222 WeakPolarHBondContact O-CG 3.42Å; E218-R222 PolarHBondContact O-N 3.13Å; E218-R222 IonicContact OE1-CZ 2.79Å; E218-R222 IonicContact OE1-NE 2.76Å; E218-R222 IonicContact OE1-NH2 3.41Å; E218-R222 PolarHBondContact OE1-NH2 3.5Å; K219-R222 PolarHBondContact O-N 2.83Å; R222-L224 PolarHBondContact O-N 3.45Å; R222-Q225 PolarHBondContact O-N 3.46Å; R222-N226 WeakPolarHBondContact O-CB 3.37Å; R222-N226 PolarHBondContact O-N 2.96Å; R222-N226 PolarHBondContact O-OD1 3.27Å |
| 223 | Y | 93.1 | Very high | 90.6 | Very high | 146 Ų | 146 | 114.4 Ų | 114.4 | 57% | 0.573 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -46.6 | 175.9 | 172.4 | -99.4 | 0 | 0 | 0 | 112.3 | K219 K220 R221 Q225 N226 R227 | K219-Y223 WeakPolarHBondContact O-CB 3.31Å; K219-Y223 PolarHBondContact O-N 3.05Å; K220-Y223 PolarHBondContact O-N 2.96Å; R221-Y223 VanDerWaalsContact C-N 3.34Å; R221-Y223 PolarHBondContact O-N 3.49Å; Y223-Q225 VanDerWaalsContact C-N 3.34Å; Y223-Q225 PolarHBondContact O-N 2.84Å; Y223-N226 PolarHBondContact O-N 3.41Å; Y223-R227 VanDerWaalsContact O-CB 3.29Å; Y223-R227 WeakPolarHBondContact O-CB 3.45Å; Y223-R227 PolarHBondContact O-N 2.9Å |
| 224 | L | 92.9 | Very high | 89.1 | Confident | 74 Ų | 74 | 115.3 Ų | 115.3 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 178.1 | -70.2 | 175.1 | 0 | 0 | 0 | 111.9 | K220 R221 R222 R227 K228 | K220-L224 HydrophobicContact CG-CD1 4.28Å; K220-L224 WeakPolarHBondContact O-CG 3.32Å; K220-L224 PolarHBondContact O-N 3.22Å; R221-L224 PolarHBondContact O-N 3.39Å; R222-L224 PolarHBondContact O-N 3.45Å; L224-R227 PolarHBondContact O-N 3.4Å; L224-K228 WeakPolarHBondContact O-CB 3.29Å; L224-K228 PolarHBondContact O-N 3.45Å |
| 225 | Q | 93.6 | Very high | 87.2 | Confident | 128 Ų | 128 | 110.8 Ų | 110.8 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 175.4 | -173.1 | 175.6 | 16.1 | 0 | 0 | 111.5 | R221 R222 Y223 R227 K228 L229 | R221-Q225 WeakPolarHBondContact O-CB 3.28Å; R221-Q225 PolarHBondContact O-N 3.46Å; R222-Q225 PolarHBondContact O-N 3.46Å; Y223-Q225 VanDerWaalsContact C-N 3.34Å; Y223-Q225 PolarHBondContact O-N 2.84Å; Q225-R227 PolarHBondContact O-N 2.94Å; Q225-K228 WeakPolarHBondContact O-CB 3.31Å; Q225-K228 PolarHBondContact O-N 3.49Å; Q225-L229 WeakPolarHBondContact O-CB 3.3Å; Q225-L229 PolarHBondContact O-N 2.87Å |
| 226 | N | 89.7 | Confident | 85.1 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.7 | -73.5 | 2.8 | 0 | 0 | 0 | 111.3 | R222 Y223 K228 L229 E230 | R222-N226 WeakPolarHBondContact O-CB 3.37Å; R222-N226 PolarHBondContact O-N 2.96Å; R222-N226 PolarHBondContact O-OD1 3.27Å; Y223-N226 PolarHBondContact O-N 3.41Å; N226-K228 VanDerWaalsContact C-N 3.29Å; N226-K228 PolarHBondContact O-N 2.85Å; N226-L229 PolarHBondContact O-N 2.84Å; N226-E230 WeakPolarHBondContact O-CB 3.49Å; N226-E230 WeakPolarHBondContact O-CG 3.49Å; N226-E230 PolarHBondContact O-N 3.32Å |
| 227 | R | 87.1 | Confident | 83 | Confident | 138 Ų | 138 | 107.6 Ų | 107.6 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.1 | -165.5 | -175.7 | 86.2 | -177.8 | 6.5 | 111.9 | Y223 L224 Q225 H231 | Y223-R227 VanDerWaalsContact O-CB 3.29Å; Y223-R227 WeakPolarHBondContact O-CB 3.45Å; Y223-R227 PolarHBondContact O-N 2.9Å; L224-R227 PolarHBondContact O-N 3.4Å; Q225-R227 PolarHBondContact O-N 2.94Å; R227-H231 VanDerWaalsContact O-CB 3.28Å; R227-H231 WeakPolarHBondContact O-CB 3.44Å; R227-H231 PolarHBondContact O-N 2.68Å |
| 228 | K | 87.1 | Confident | 80.9 | Confident | 133 Ų | 133 | 106.6 Ų | 106.6 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -45.8 | 174.7 | -179.1 | 177.7 | 170.7 | -179.9 | 0 | 110.7 | L224 Q225 N226 H231 E232 | L224-K228 WeakPolarHBondContact O-CB 3.29Å; L224-K228 PolarHBondContact O-N 3.45Å; Q225-K228 WeakPolarHBondContact O-CB 3.31Å; Q225-K228 PolarHBondContact O-N 3.49Å; N226-K228 VanDerWaalsContact C-N 3.29Å; N226-K228 PolarHBondContact O-N 2.85Å; K228-H231 CarbonylContact O-C 3.58Å; K228-H231 WeakPolarHBondContact O-CB 3.38Å; K228-H231 PolarHBondContact O-N 2.85Å; K228-H231 VanDerWaalsContact O-N 3.15Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 IonicContact NZ-OE1 2.59Å; K228-E232 WeakPolarHBondContact O-CG 3.49Å; K228-E232 PolarHBondContact O-N 3.01Å |
| 229 | L | 87 | Confident | 78.5 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 176.4 | -175.2 | 153.6 | 0 | 0 | 0 | 111.5 | Q225 N226 H231 E232 T233 | Q225-L229 WeakPolarHBondContact O-CB 3.3Å; Q225-L229 PolarHBondContact O-N 2.87Å; N226-L229 PolarHBondContact O-N 2.84Å; L229-H231 VanDerWaalsContact C-N 3.27Å; L229-H231 PolarHBondContact O-N 3.49Å; L229-E232 PolarHBondContact O-N 3.48Å; L229-T233 HydrophobicContact CD2-CG2 3.84Å; L229-T233 HydrophobicContact CG-CG2 4.3Å; L229-T233 WeakPolarHBondContact O-CB 3.34Å; L229-T233 VanDerWaalsContact O-CG2 3.29Å; L229-T233 WeakPolarHBondContact O-CG2 3.47Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 PolarHBondContact O-OG1 2.76Å |
| 230 | E | 78.7 | Confident | 76.3 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.3 | -42.2 | 172.5 | -76.5 | 176.9 | -176.1 | 0 | 0 | 110.9 | N226 T233 L234 | N226-E230 WeakPolarHBondContact O-CB 3.49Å; N226-E230 WeakPolarHBondContact O-CG 3.49Å; N226-E230 PolarHBondContact O-N 3.32Å; E230-T233 WeakPolarHBondContact CA-OG1 3.5Å; E230-T233 PolarHBondContact O-OG1 3.34Å; E230-L234 HydrophobicContact CB-CD1 4.31Å; E230-L234 WeakPolarHBondContact O-CA 3.39Å; E230-L234 WeakPolarHBondContact O-CB 3.25Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.81Å |
| 231 | H | 75.5 | Confident | 74.4 | Confident | 142 Ų | 142 | 103.5 Ų | 103.5 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -37.6 | 176.2 | -173.1 | -80.9 | 0 | 0 | 0 | 112.6 | R227 K228 L229 G235 | R227-H231 VanDerWaalsContact O-CB 3.28Å; R227-H231 WeakPolarHBondContact O-CB 3.44Å; R227-H231 PolarHBondContact O-N 2.68Å; K228-H231 CarbonylContact O-C 3.58Å; K228-H231 WeakPolarHBondContact O-CB 3.38Å; K228-H231 PolarHBondContact O-N 2.85Å; K228-H231 VanDerWaalsContact O-N 3.15Å; L229-H231 VanDerWaalsContact C-N 3.27Å; L229-H231 PolarHBondContact O-N 3.49Å; H231-G235 WeakPolarHBondContact O-CA 3.41Å; H231-G235 PolarHBondContact O-N 3.27Å |
| 232 | E | 77.6 | Confident | 72.3 | Confident | 104 Ų | 104 | 99.4 Ų | 99.4 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72 | -40.9 | 177.5 | -73.3 | 170.7 | 172.6 | 0 | 0 | 111.6 | K228 L229 S236 | K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 IonicContact NZ-OE1 2.59Å; K228-E232 WeakPolarHBondContact O-CG 3.49Å; K228-E232 PolarHBondContact O-N 3.01Å; L229-E232 PolarHBondContact O-N 3.48Å; E232-S236 VanDerWaalsContact O-CB 3.27Å; E232-S236 WeakPolarHBondContact O-CB 3.35Å; E232-S236 PolarHBondContact O-N 3.07Å; E232-S236 PolarHBondContact O-OG 2.79Å |
| 233 | T | 74.6 | Confident | 70.4 | Confident | 78 Ų | 78 | 102.1 Ų | 102.1 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.8 | -48.1 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | L229 E230 | L229-T233 HydrophobicContact CD2-CG2 3.84Å; L229-T233 HydrophobicContact CG-CG2 4.3Å; L229-T233 WeakPolarHBondContact O-CB 3.34Å; L229-T233 VanDerWaalsContact O-CG2 3.29Å; L229-T233 WeakPolarHBondContact O-CG2 3.47Å; L229-T233 PolarHBondContact O-N 2.88Å; L229-T233 PolarHBondContact O-OG1 2.76Å; E230-T233 WeakPolarHBondContact CA-OG1 3.5Å; E230-T233 PolarHBondContact O-OG1 3.34Å |
| 234 | L | 63.6 | Low | 68.6 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -87.1 | -29 | -179.7 | -56.9 | 169.8 | 0 | 0 | 0 | 112.7 | E230 S236 S237 L238 | E230-L234 HydrophobicContact CB-CD1 4.31Å; E230-L234 WeakPolarHBondContact O-CA 3.39Å; E230-L234 WeakPolarHBondContact O-CB 3.25Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.81Å; L234-S236 VanDerWaalsContact C-N 3.32Å; L234-S237 WeakPolarHBondContact O-CB 3.4Å; L234-S237 PolarHBondContact O-N 3.18Å; L234-S237 VanDerWaalsContact O-N 3.17Å; L234-L238 PolarHBondContact O-N 3.47Å |
| 235 | G | 57.9 | Low | 67.2 | Low | 15 Ų | 15 | 96.6 Ų | 96.6 | 16% | 0.155 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -67.8 | -33.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | H231 S237 L238 L239 | H231-G235 WeakPolarHBondContact O-CA 3.41Å; H231-G235 PolarHBondContact O-N 3.27Å; G235-S237 VanDerWaalsContact C-N 3.31Å; G235-L238 PolarHBondContact O-N 2.91Å; G235-L239 WeakPolarHBondContact O-CG 3.36Å; G235-L239 PolarHBondContact O-N 3.29Å; G235-L239 VanDerWaalsContact O-N 3.08Å |
| 236 | S | 52.8 | Low | 66.3 | Low | 71 Ų | 71 | 93.7 Ų | 93.7 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -31.9 | 168.6 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | E232 L234 L239 T240 | E232-S236 VanDerWaalsContact O-CB 3.27Å; E232-S236 WeakPolarHBondContact O-CB 3.35Å; E232-S236 PolarHBondContact O-N 3.07Å; E232-S236 PolarHBondContact O-OG 2.79Å; L234-S236 VanDerWaalsContact C-N 3.32Å; S236-L239 PolarHBondContact O-N 3.5Å; S236-T240 PolarHBondContact O-N 3.35Å; S236-T240 PolarHBondContact O-OG1 3.41Å |
| 237 | S | 53 | Low | 65.6 | Low | 45 Ų | 45 | 95.9 Ų | 95.9 | 32% | 0.315 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.2 | -25.3 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | L234 G235 T240 | L234-S237 WeakPolarHBondContact O-CB 3.4Å; L234-S237 PolarHBondContact O-N 3.18Å; L234-S237 VanDerWaalsContact O-N 3.17Å; G235-S237 VanDerWaalsContact C-N 3.31Å; S237-T240 VanDerWaalsContact O-O 3.06Å |
| 238 | L | 52.5 | Low | 65.3 | Low | 105 Ų | 105 | 96.4 Ų | 96.4 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -84.9 | -20 | 172.6 | -71.3 | 172.3 | 0 | 0 | 0 | 113.7 | L234 G235 L253 | L234-L238 PolarHBondContact O-N 3.47Å; G235-L238 PolarHBondContact O-N 2.91Å; L238-L253 HydrophobicContact CD2-CD1 4.27Å |
| 239 | L | 46.6 | Very low | 64.9 | Low | 152 Ų | 152 | 94.7 Ų | 94.7 | 80% | 0.796 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -81.5 | -22.4 | 172.2 | -77 | 163.2 | 0 | 0 | 0 | 112.5 | G235 S236 G241 | G235-L239 WeakPolarHBondContact O-CG 3.36Å; G235-L239 PolarHBondContact O-N 3.29Å; G235-L239 VanDerWaalsContact O-N 3.08Å; S236-L239 PolarHBondContact O-N 3.5Å; L239-G241 PolarHBondContact O-N 2.89Å |
| 240 | T | 50.6 | Low | 64.2 | Low | 88 Ų | 88 | 95.8 Ų | 95.8 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -78.9 | 113.7 | 162.1 | -43.6 | 0 | 0 | 0 | 0 | 106.2 | S236 S237 | S236-T240 PolarHBondContact O-N 3.35Å; S236-T240 PolarHBondContact O-OG1 3.41Å; S237-T240 VanDerWaalsContact O-O 3.06Å |
| 241 | G | 55 | Low | 64.3 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | trans | -53.4 | 175 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L239 E243 G244 | L239-G241 PolarHBondContact O-N 2.89Å; G241-E243 PolarHBondContact O-N 3.26Å; G241-G244 PolarHBondContact O-N 3.47Å | ||
| 242 | P | 53 | Low | 64.4 | Low | 92 Ų | 92 | 92.1 Ų | 92.1 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 8.3 | -175 | 24.4 | -34.9 | 0 | 0 | 0 | 116.6 | ||
| 243 | E | 55.8 | Low | 64.4 | Low | 195 Ų | 195 | 89.6 Ų | 89.6 | 91% | 0.911 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -13.7 | -179.7 | -56.3 | -151 | 156.3 | 0 | 0 | 113.8 | G241 | G241-E243 PolarHBondContact O-N 3.26Š|
| 244 | G | 56.9 | Low | 64.6 | Low | 56 Ų | 56 | 91 Ų | 91 | 58% | 0.577 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -94.7 | -9.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G241 | G241-G244 PolarHBondContact O-N 3.47Š|
| 245 | L | 62.9 | Low | 65.3 | Low | 48 Ų | 48 | 90.1 Ų | 90.1 | 25% | 0.251 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -98.9 | 133.4 | -173.8 | -65.8 | 173.4 | 0 | 0 | 0 | 111.5 | E249 | L245-E249 WeakPolarHBondContact CA-OE2 3.44Å; L245-E249 HydrophobicContact CB-CB 4.26Å; L245-E249 HydrophobicContact CD2-CB 4.28Å |
| 246 | S | 75 | Confident | 66.3 | Low | 67 Ų | 67 | 94.3 Ų | 94.3 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | trans | -56.2 | 149.1 | 169.4 | 174 | 0 | 0 | 0 | 0 | 110.9 | K248 E249 R250 | S246-K248 PolarHBondContact O-N 2.92Å; S246-K248 VanDerWaalsContact O-N 3.12Å; S246-E249 WeakPolarHBondContact CB-OE2 3.47Å; S246-E249 PolarHBondContact N-OE2 3.3Å; S246-E249 WeakPolarHBondContact O-CB 3.41Å; S246-E249 PolarHBondContact O-N 3.3Å; S246-R250 PolarHBondContact O-N 2.93Å | ||
| 247 | M | 75.2 | Confident | 67.3 | Low | 139 Ų | 139 | 96 Ų | 96 | 69% | 0.685 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -52.3 | -37.1 | 176.6 | -77.1 | -74.6 | -76.1 | 0 | 0 | 112 | R250 E251 | M247-R250 PolarHBondContact O-N 3.41Å; M247-E251 WeakPolarHBondContact O-CG 3.4Å; M247-E251 PolarHBondContact O-N 3.5Å; M247-E251 VanDerWaalsContact O-N 3.13Å |
| 248 | K | 79.9 | Confident | 68.4 | Low | 148 Ų | 148 | 94.4 Ų | 94.4 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 176.1 | -171.9 | 176 | -178.7 | -179.4 | 0 | 112.2 | S246 R250 E251 N252 | S246-K248 PolarHBondContact O-N 2.92Å; S246-K248 VanDerWaalsContact O-N 3.12Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 PolarHBondContact O-N 2.88Å; K248-E251 PolarHBondContact O-N 3.26Å; K248-N252 WeakPolarHBondContact O-CB 3.35Å; K248-N252 PolarHBondContact O-N 3.34Å; K248-N252 PolarHBondContact O-ND2 3.45Å |
| 249 | E | 78 | Confident | 69.5 | Low | 98 Ų | 98 | 93 Ų | 93 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 177.5 | -66 | 172 | 149.2 | 0 | 0 | 111.4 | L245 S246 E251 N252 L253 | L245-E249 WeakPolarHBondContact CA-OE2 3.44Å; L245-E249 HydrophobicContact CB-CB 4.26Å; L245-E249 HydrophobicContact CD2-CB 4.28Å; S246-E249 WeakPolarHBondContact CB-OE2 3.47Å; S246-E249 PolarHBondContact N-OE2 3.3Å; S246-E249 WeakPolarHBondContact O-CB 3.41Å; S246-E249 PolarHBondContact O-N 3.3Å; E249-E251 PolarHBondContact O-N 2.9Å; E249-N252 PolarHBondContact O-N 2.89Å; E249-L253 VanDerWaalsContact O-CB 3.32Å; E249-L253 WeakPolarHBondContact O-CB 3.4Å; E249-L253 PolarHBondContact O-N 2.81Å |
| 250 | R | 74.2 | Confident | 70.6 | Confident | 117 Ų | 117 | 93.6 Ų | 93.6 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.6 | -169.1 | 174.6 | -176.5 | 167.8 | 0.9 | 112.2 | S246 M247 K248 K254 | S246-R250 PolarHBondContact O-N 2.93Å; M247-R250 PolarHBondContact O-N 3.41Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 PolarHBondContact O-N 2.88Å; R250-K254 VanDerWaalsContact O-CG 3.31Å; R250-K254 WeakPolarHBondContact O-CG 3.42Å; R250-K254 PolarHBondContact O-N 2.98Å; R250-K254 VanDerWaalsContact O-N 3.15Å |
| 251 | E | 79.9 | Confident | 71.3 | Confident | 103 Ų | 103 | 97.4 Ų | 97.4 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 173.9 | -73.5 | 179.3 | -179.1 | 0 | 0 | 111.8 | M247 K248 E249 L253 K254 K255 | M247-E251 WeakPolarHBondContact O-CG 3.4Å; M247-E251 PolarHBondContact O-N 3.5Å; M247-E251 VanDerWaalsContact O-N 3.13Å; K248-E251 PolarHBondContact O-N 3.26Å; E249-E251 PolarHBondContact O-N 2.9Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 3.15Å; E251-K254 WeakPolarHBondContact O-CB 2.83Å; E251-K254 PolarHBondContact O-N 3.46Å; E251-K254 VanDerWaalsContact O-N 3.16Å; E251-K255 WeakPolarHBondContact O-CG 3.37Å; E251-K255 PolarHBondContact O-N 3.15Å |
| 252 | N | 77.9 | Confident | 71.8 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.3 | -72.1 | -16.2 | 0 | 0 | 0 | 112.1 | K248 E249 K254 K255 L256 | K248-N252 WeakPolarHBondContact O-CB 3.35Å; K248-N252 PolarHBondContact O-N 3.34Å; K248-N252 PolarHBondContact O-ND2 3.45Å; E249-N252 PolarHBondContact O-N 2.89Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.31Å; N252-K255 PolarHBondContact O-N 2.92Å; N252-L256 WeakPolarHBondContact O-CB 3.5Å; N252-L256 PolarHBondContact O-N 2.92Å |
| 253 | L | 77.7 | Confident | 72.4 | Confident | 50 Ų | 50 | 108.3 Ų | 108.3 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.3 | -169.8 | 100.8 | 0 | 0 | 0 | 111.4 | L238 E249 E251 L256 K257 | L238-L253 HydrophobicContact CD2-CD1 4.27Å; E249-L253 VanDerWaalsContact O-CB 3.32Å; E249-L253 WeakPolarHBondContact O-CB 3.4Å; E249-L253 PolarHBondContact O-N 2.81Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 3.15Å; L253-L256 PolarHBondContact O-N 3.32Å; L253-K257 HydrophobicContact CD2-CD 4.19Å; L253-K257 HydrophobicContact CG-CD 4.35Å; L253-K257 WeakPolarHBondContact O-CB 3.26Å; L253-K257 VanDerWaalsContact O-CG 3.26Å; L253-K257 WeakPolarHBondContact O-CG 3.41Å; L253-K257 PolarHBondContact O-N 3.43Å |
| 254 | K | 77.5 | Confident | 73.3 | Confident | 107 Ų | 107 | 107.4 Ų | 107.4 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.9 | -73.3 | 170.6 | -177.2 | 176.6 | 0 | 111.3 | P110 R250 E251 N252 K257 A258 | P110-K254 HydrophobicContact CG-CB 4.31Å; R250-K254 VanDerWaalsContact O-CG 3.31Å; R250-K254 WeakPolarHBondContact O-CG 3.42Å; R250-K254 PolarHBondContact O-N 2.98Å; R250-K254 VanDerWaalsContact O-N 3.15Å; E251-K254 WeakPolarHBondContact O-CB 2.83Å; E251-K254 PolarHBondContact O-N 3.46Å; E251-K254 VanDerWaalsContact O-N 3.16Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.31Å; K254-K257 PolarHBondContact O-N 3.35Å; K254-A258 PolarHBondContact O-N 3.41Å |
| 255 | K | 80.1 | Confident | 74.2 | Confident | 87 Ų | 87 | 111.4 Ų | 111.4 | 38% | 0.378 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.4 | -68.1 | 179.9 | -179.4 | 178.7 | 0 | 111.6 | P110 L115 E251 N252 K257 A258 L259 | P110-K255 HydrophobicContact CB-CG 4.49Å; P110-K255 HydrophobicContact CG-CG 4.45Å; L115-K255 HydrophobicContact CD1-CB 4.15Å; L115-K255 HydrophobicContact CD1-CG 4.32Å; L115-K255 HydrophobicContact CD2-CD 4.19Å; L115-K255 HydrophobicContact CD2-CG 3.97Å; E251-K255 WeakPolarHBondContact O-CG 3.37Å; E251-K255 PolarHBondContact O-N 3.15Å; N252-K255 PolarHBondContact O-N 2.92Å; K255-K257 PolarHBondContact O-N 2.88Å; K255-A258 WeakPolarHBondContact O-CB 3.29Å; K255-A258 PolarHBondContact O-N 3.06Å; K255-L259 WeakPolarHBondContact O-CG 3.3Å; K255-L259 PolarHBondContact O-N 3.22Å |
| 256 | L | 76.9 | Confident | 75 | Confident | 103 Ų | 103 | 115 Ų | 115 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 175.7 | -93 | 158.8 | 0 | 0 | 0 | 112.3 | N252 L253 A258 L259 R260 | N252-L256 WeakPolarHBondContact O-CB 3.5Å; N252-L256 PolarHBondContact O-N 2.92Å; L253-L256 PolarHBondContact O-N 3.32Å; L256-A258 VanDerWaalsContact C-N 3.31Å; L256-A258 PolarHBondContact O-N 3.27Å; L256-L259 PolarHBondContact O-N 2.75Å; L256-R260 WeakPolarHBondContact O-CG 3.49Å; L256-R260 PolarHBondContact O-N 3.47Å |
| 257 | K | 75.1 | Confident | 75.5 | Confident | 106 Ų | 106 | 114.3 Ų | 114.3 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.2 | -77.1 | 177.8 | 177.1 | -176.3 | 0 | 111.9 | L253 K254 K255 | L253-K257 HydrophobicContact CD2-CD 4.19Å; L253-K257 HydrophobicContact CG-CD 4.35Å; L253-K257 WeakPolarHBondContact O-CB 3.26Å; L253-K257 VanDerWaalsContact O-CG 3.26Å; L253-K257 WeakPolarHBondContact O-CG 3.41Å; L253-K257 PolarHBondContact O-N 3.43Å; K254-K257 PolarHBondContact O-N 3.35Å; K255-K257 PolarHBondContact O-N 2.88Å |
| 258 | A | 75.8 | Confident | 76 | Confident | 11 Ų | 11 | 112.8 Ų | 112.8 | 9% | 0.091 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P110 P112 L115 K254 K255 L256 R260 R261 | P110-A258 WeakPolarHBondContact O-CB 3.43Å; P112-A258 WeakPolarHBondContact CG-O 3.29Å; L115-A258 HydrophobicContact CD1-CB 4Å; K254-A258 PolarHBondContact O-N 3.41Å; K255-A258 WeakPolarHBondContact O-CB 3.29Å; K255-A258 PolarHBondContact O-N 3.06Å; L256-A258 VanDerWaalsContact C-N 3.31Å; L256-A258 PolarHBondContact O-N 3.27Å; A258-R260 VanDerWaalsContact C-N 3.28Å; A258-R260 PolarHBondContact O-N 3.28Å; A258-R261 WeakPolarHBondContact O-CB 3.34Å; A258-R261 PolarHBondContact O-N 3.39Å |
| 259 | L | 75.5 | Confident | 76.2 | Confident | 75 Ų | 75 | 111.9 Ų | 111.9 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -24.9 | 179.9 | -69 | 172.2 | 0 | 0 | 0 | 114.1 | L115 K255 L256 R261 Y262 | L115-L259 HydrophobicContact CD1-CD2 4.22Å; L115-L259 HydrophobicContact CD1-CG 4.07Å; K255-L259 WeakPolarHBondContact O-CG 3.3Å; K255-L259 PolarHBondContact O-N 3.22Å; L256-L259 PolarHBondContact O-N 2.75Å; L259-R261 PolarHBondContact O-N 3.39Å; L259-Y262 WeakPolarHBondContact O-CB 3.43Å; L259-Y262 PolarHBondContact O-N 3.4Å; L259-Y262 VanDerWaalsContact O-N 3.08Å |
| 260 | R | 69.6 | Low | 76.7 | Confident | 166 Ų | 166 | 108.8 Ų | 108.8 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -26.4 | 171.8 | -74.1 | -179.2 | -153.7 | -158.4 | 3.2 | 112.9 | L256 A258 | L256-R260 WeakPolarHBondContact O-CG 3.49Å; L256-R260 PolarHBondContact O-N 3.47Å; A258-R260 VanDerWaalsContact C-N 3.28Å; A258-R260 PolarHBondContact O-N 3.28Å |
| 261 | R | 66.1 | Low | 77.4 | Confident | 167 Ų | 167 | 108.2 Ų | 108.2 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -81.8 | -21.2 | 177.6 | -60.8 | -178.7 | 178.7 | -175.4 | -3.5 | 112.4 | P112 A258 L259 R263 R264 Y266 | P112-R261 HydrophobicContact CG-CB 4.3Å; A258-R261 WeakPolarHBondContact O-CB 3.34Å; A258-R261 PolarHBondContact O-N 3.39Å; L259-R261 PolarHBondContact O-N 3.39Å; R261-R263 PolarHBondContact O-N 2.96Å; R261-R264 PolarHBondContact O-N 2.85Å; R261-R264 VanDerWaalsContact O-O 3.08Å; R261-Y266 HydrophobicContact CB-CE2 4.02Å; R261-Y266 HydrophobicContact CG-CE2 4.43Å |
| 262 | Y | 65.8 | Low | 78 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 51% | 0.51 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | -172.4 | 175.8 | -124.4 | 0 | 0 | 0 | 114.4 | L116 L259 | L116-Y262 HydrophobicContact CD1-CD2 3.44Å; L116-Y262 VanDerWaalsContact CD1-CD2 3.44Å; L116-Y262 HydrophobicContact CD1-CE1 4.4Å; L116-Y262 HydrophobicContact CD1-CE2 3.08Å; L116-Y262 HydrophobicContact CD1-CG 4.25Å; L116-Y262 HydrophobicContact CD2-CE1 4.04Å; L116-Y262 HydrophobicContact CD2-CE2 4.17Å; L116-Y262 HydrophobicContact CG-CE2 4.21Å; L259-Y262 WeakPolarHBondContact O-CB 3.43Å; L259-Y262 PolarHBondContact O-N 3.4Å; L259-Y262 VanDerWaalsContact O-N 3.08Å |
| 263 | R | 65.2 | Low | 78.4 | Confident | 232 Ų | 232 | 108.5 Ų | 108.5 | 88% | 0.875 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.7 | 179.7 | -70.3 | -172.9 | 177.6 | -176.2 | -0.1 | 114 | R261 | R261-R263 PolarHBondContact O-N 2.96Š|
| 264 | R | 73.9 | Confident | 78.8 | Confident | 176 Ų | 176 | 113.6 Ų | 113.6 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -101 | 125.9 | 178.3 | -73.3 | -175.1 | -176.5 | -162.6 | 2.4 | 108.1 | R261 Y266 | R261-R264 PolarHBondContact O-N 2.85Å; R261-R264 VanDerWaalsContact O-O 3.08Å; R264-Y266 HydrophobicContact CB-CD2 4.35Å; R264-Y266 HydrophobicContact CB-CE1 4.46Å; R264-Y266 HydrophobicContact CB-CE2 3.51Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å; R264-Y266 WeakPolarHBondContact O-CD2 3.26Å; R264-Y266 WeakPolarHBondContact O-CE2 3.43Å |
| 265 | R | 77.1 | Confident | 79.4 | Confident | 139 Ų | 139 | 114.1 Ų | 114.1 | 53% | 0.525 | 52% | 0.516 | S | S | . | . | trans | -77.5 | 140.8 | 171.5 | -58.6 | -178.5 | -170.1 | -159.2 | 2.1 | 108.1 | E269 A270 H273 | R265-E269 HydrophobicContact CB-CB 4.21Å; R265-A270 HydrophobicContact CB-CB 4.17Å; R265-A270 WeakPolarHBondContact O-CB 3.29Å; R265-H273 PolarHBondContact NH1-CD2 3.35Å | ||
| 266 | Y | 79.3 | Confident | 79.9 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | trans | -128.9 | 157.8 | 179.5 | -65 | -83.8 | 0 | 0 | 0 | 110.6 | R261 R264 V268 E269 | R261-Y266 HydrophobicContact CB-CE2 4.02Å; R261-Y266 HydrophobicContact CG-CE2 4.43Å; R264-Y266 HydrophobicContact CB-CD2 4.35Å; R264-Y266 HydrophobicContact CB-CE1 4.46Å; R264-Y266 HydrophobicContact CB-CE2 3.51Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å; R264-Y266 WeakPolarHBondContact O-CD2 3.26Å; R264-Y266 WeakPolarHBondContact O-CE2 3.43Å; Y266-V268 PolarHBondContact O-N 3.25Å; Y266-E269 PolarHBondContact O-N 2.89Å | ||
| 267 | G | 84.8 | Confident | 80.4 | Confident | 54 Ų | 54 | 115.2 Ų | 115.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -134.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E269 A270 L271 | G267-E269 VanDerWaalsContact C-N 3.29Å; G267-E269 PolarHBondContact O-N 3.48Å; G267-A270 WeakPolarHBondContact O-CB 3.47Å; G267-A270 PolarHBondContact O-N 3.32Å; G267-A270 VanDerWaalsContact O-N 3.09Å; G267-L271 PolarHBondContact O-N 2.98Å |
| 268 | V | 86 | Confident | 80.9 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.5 | -39.2 | -174.6 | -176 | 0 | 0 | 0 | 0 | 112 | Y266 A270 L271 L272 | Y266-V268 PolarHBondContact O-N 3.25Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 3.45Å; V268-L271 PolarHBondContact O-N 3.45Å; V268-L272 HydrophobicContact CG1-CD1 4.05Å; V268-L272 HydrophobicContact CG1-CG 4.3Å; V268-L272 WeakPolarHBondContact O-CG 3.11Å; V268-L272 PolarHBondContact O-N 3.45Å |
| 269 | E | 83.3 | Confident | 81.4 | Confident | 130 Ų | 130 | 121.9 Ų | 121.9 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -34 | 178.7 | -63.9 | -173.5 | 166.3 | 0 | 0 | 113.1 | R265 Y266 G267 H273 | R265-E269 HydrophobicContact CB-CB 4.21Å; Y266-E269 PolarHBondContact O-N 2.89Å; G267-E269 VanDerWaalsContact C-N 3.29Å; G267-E269 PolarHBondContact O-N 3.48Å; E269-H273 VanDerWaalsContact O-CB 3.29Å; E269-H273 WeakPolarHBondContact O-CB 3.45Å; E269-H273 PolarHBondContact O-N 3.13Å |
| 270 | A | 88.3 | Confident | 81.7 | Confident | 33 Ų | 33 | 126 Ų | 126 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R265 G267 V268 H273 R274 | R265-A270 HydrophobicContact CB-CB 4.17Å; R265-A270 WeakPolarHBondContact O-CB 3.29Å; G267-A270 WeakPolarHBondContact O-CB 3.47Å; G267-A270 PolarHBondContact O-N 3.32Å; G267-A270 VanDerWaalsContact O-N 3.09Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 3.45Å; A270-H273 PolarHBondContact O-N 2.94Å; A270-R274 WeakPolarHBondContact O-CB 3.21Å; A270-R274 PolarHBondContact O-N 3.39Å |
| 271 | L | 90.7 | Very high | 82 | Confident | 105 Ų | 105 | 122.3 Ų | 122.3 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 177.2 | -64.3 | 177.2 | 0 | 0 | 0 | 111.4 | G267 V268 H273 R274 Q275 | G267-L271 PolarHBondContact O-N 2.98Å; V268-L271 PolarHBondContact O-N 3.45Å; L271-H273 VanDerWaalsContact C-N 3.34Å; L271-H273 PolarHBondContact O-N 3.31Å; L271-R274 WeakPolarHBondContact O-CB 3.24Å; L271-R274 PolarHBondContact O-N 3.01Å; L271-Q275 WeakPolarHBondContact O-CG 3.42Å; L271-Q275 PolarHBondContact O-N 3.28Å |
| 272 | L | 90.9 | Very high | 82.5 | Confident | 101 Ų | 101 | 117.4 Ų | 117.4 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 176.5 | -69.2 | 174.5 | 0 | 0 | 0 | 111.9 | V268 R274 Q275 L276 | V268-L272 HydrophobicContact CG1-CD1 4.05Å; V268-L272 HydrophobicContact CG1-CG 4.3Å; V268-L272 WeakPolarHBondContact O-CG 3.11Å; V268-L272 PolarHBondContact O-N 3.45Å; L272-R274 VanDerWaalsContact C-N 3.35Å; L272-Q275 PolarHBondContact O-N 2.92Å; L272-L276 VanDerWaalsContact O-CB 3.3Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 PolarHBondContact O-N 2.9Å |
| 273 | H | 86.1 | Confident | 82.7 | Confident | 77 Ų | 77 | 116.7 Ų | 116.7 | 36% | 0.356 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 175.4 | -173.9 | -101.1 | 0 | 0 | 0 | 112.1 | R265 E269 A270 L271 R277 | R265-H273 PolarHBondContact NH1-CD2 3.35Å; E269-H273 VanDerWaalsContact O-CB 3.29Å; E269-H273 WeakPolarHBondContact O-CB 3.45Å; E269-H273 PolarHBondContact O-N 3.13Å; A270-H273 PolarHBondContact O-N 2.94Å; L271-H273 VanDerWaalsContact C-N 3.34Å; L271-H273 PolarHBondContact O-N 3.31Å; H273-R277 WeakPolarHBondContact O-CB 3.43Å; H273-R277 PolarHBondContact O-N 2.81Å |
| 274 | R | 88 | Confident | 82.9 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -50.4 | 173.3 | 178.2 | 179.2 | 172.3 | 176.8 | -0.5 | 111.1 | A270 L271 L272 L276 R277 E278 | A270-R274 WeakPolarHBondContact O-CB 3.21Å; A270-R274 PolarHBondContact O-N 3.39Å; L271-R274 WeakPolarHBondContact O-CB 3.24Å; L271-R274 PolarHBondContact O-N 3.01Å; L272-R274 VanDerWaalsContact C-N 3.35Å; R274-L276 VanDerWaalsContact C-N 3.32Å; R274-L276 PolarHBondContact O-N 3.36Å; R274-R277 CarbonylContact O-C 3.58Å; R274-R277 WeakPolarHBondContact O-CA 3.29Å; R274-R277 WeakPolarHBondContact O-CB 3.36Å; R274-R277 PolarHBondContact O-N 3.45Å; R274-E278 HydrophobicContact CG-CG 4.4Å; R274-E278 WeakPolarHBondContact CG-OE1 3.45Å; R274-E278 IonicContact CZ-OE1 2.81Å; R274-E278 IonicContact NE-OE1 3.73Å; R274-E278 PolarHBondContact NE-OE1 3.33Å; R274-E278 IonicContact NH2-OE1 3.12Å; R274-E278 PolarHBondContact NH2-OE1 2.91Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 2.64Å |
| 275 | Q | 90.2 | Very high | 82.3 | Confident | 118 Ų | 118 | 108.4 Ų | 108.4 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -41.6 | 176.9 | -76.9 | -179.8 | -13.8 | 0 | 0 | 112.2 | L271 L272 R277 E278 R279 | L271-Q275 WeakPolarHBondContact O-CG 3.42Å; L271-Q275 PolarHBondContact O-N 3.28Å; L272-Q275 PolarHBondContact O-N 2.92Å; Q275-R277 VanDerWaalsContact C-N 3.28Å; Q275-R277 PolarHBondContact O-N 2.95Å; Q275-E278 PolarHBondContact O-N 3.25Å; Q275-R279 WeakPolarHBondContact O-CB 3.29Å; Q275-R279 PolarHBondContact O-N 3.49Å |
| 276 | L | 89.4 | Confident | 81.3 | Confident | 56 Ų | 56 | 103.8 Ų | 103.8 | 29% | 0.293 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 175.1 | 179.2 | 64.3 | 0 | 0 | 0 | 111.4 | L272 R274 R280 | L272-L276 VanDerWaalsContact O-CB 3.3Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 PolarHBondContact O-N 2.9Å; R274-L276 VanDerWaalsContact C-N 3.32Å; R274-L276 PolarHBondContact O-N 3.36Å; L276-R280 VanDerWaalsContact O-CG 3.27Å; L276-R280 WeakPolarHBondContact O-CG 3.25Å; L276-R280 PolarHBondContact O-N 2.91Å |
| 277 | R | 86.8 | Confident | 80 | Confident | 158 Ų | 158 | 101.9 Ų | 101.9 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70 | -43.3 | 178.9 | -155.9 | 176.8 | -170.2 | -134.5 | 0.9 | 111.5 | H273 R274 Q275 R280 Q281 | H273-R277 WeakPolarHBondContact O-CB 3.43Å; H273-R277 PolarHBondContact O-N 2.81Å; R274-R277 CarbonylContact O-C 3.58Å; R274-R277 WeakPolarHBondContact O-CA 3.29Å; R274-R277 WeakPolarHBondContact O-CB 3.36Å; R274-R277 PolarHBondContact O-N 3.45Å; Q275-R277 VanDerWaalsContact C-N 3.28Å; Q275-R277 PolarHBondContact O-N 2.95Å; R277-R280 PolarHBondContact O-N 2.94Å; R277-Q281 WeakPolarHBondContact O-CB 3.44Å; R277-Q281 VanDerWaalsContact O-CG 3.31Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 2.59Å |
| 278 | E | 87.3 | Confident | 78.5 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 38% | 0.383 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 173.3 | -73.1 | 169.9 | 176 | 0 | 0 | 110.9 | R274 Q275 R280 Q281 A282 | R274-E278 HydrophobicContact CG-CG 4.4Å; R274-E278 WeakPolarHBondContact CG-OE1 3.45Å; R274-E278 IonicContact CZ-OE1 2.81Å; R274-E278 IonicContact NE-OE1 3.73Å; R274-E278 PolarHBondContact NE-OE1 3.33Å; R274-E278 IonicContact NH2-OE1 3.12Å; R274-E278 PolarHBondContact NH2-OE1 2.91Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 2.64Å; Q275-E278 PolarHBondContact O-N 3.25Å; E278-R280 PolarHBondContact O-N 2.88Å; E278-Q281 PolarHBondContact O-N 2.91Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.37Å |
| 279 | R | 84.9 | Confident | 77 | Confident | 174 Ų | 174 | 106 Ų | 106 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 175 | -167.7 | -179.3 | 76.6 | -174 | 6.2 | 112.1 | Q275 V283 | Q275-R279 WeakPolarHBondContact O-CB 3.29Å; Q275-R279 PolarHBondContact O-N 3.49Å; R279-V283 VanDerWaalsContact O-CG2 3.28Å; R279-V283 WeakPolarHBondContact O-CG2 3.4Å; R279-V283 PolarHBondContact O-N 2.9Å; R279-V283 VanDerWaalsContact O-N 3.13Å |
| 280 | R | 83.2 | Confident | 75.5 | Confident | 162 Ų | 162 | 107.3 Ų | 107.3 | 61% | 0.611 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.2 | -43.2 | 175.8 | -74.5 | 173.4 | -179.2 | -168.4 | -0.5 | 111.2 | L276 R277 E278 V283 T284 | L276-R280 VanDerWaalsContact O-CG 3.27Å; L276-R280 WeakPolarHBondContact O-CG 3.25Å; L276-R280 PolarHBondContact O-N 2.91Å; R277-R280 PolarHBondContact O-N 2.94Å; E278-R280 PolarHBondContact O-N 2.88Å; R280-V283 PolarHBondContact O-N 3Å; R280-T284 PolarHBondContact O-N 3.03Å; R280-T284 PolarHBondContact O-OG1 2.98Å |
| 281 | Q | 75.5 | Confident | 73.8 | Confident | 89 Ų | 89 | 112 Ų | 112 | 42% | 0.416 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -45.2 | 176.4 | -74.9 | 173.4 | -36.1 | 0 | 0 | 111.6 | R277 E278 V283 T284 E285 | R277-Q281 WeakPolarHBondContact O-CB 3.44Å; R277-Q281 VanDerWaalsContact O-CG 3.31Å; R277-Q281 WeakPolarHBondContact O-CG 3.47Å; R277-Q281 PolarHBondContact O-N 2.59Å; E278-Q281 PolarHBondContact O-N 2.91Å; Q281-V283 PolarHBondContact O-N 2.93Å; Q281-T284 CarbonylContact O-C 3.56Å; Q281-T284 PolarHBondContact O-N 2.54Å; Q281-T284 VanDerWaalsContact O-N 3.07Å; Q281-E285 WeakPolarHBondContact O-CB 3.26Å; Q281-E285 WeakPolarHBondContact O-CG 3.44Å; Q281-E285 PolarHBondContact O-N 3.21Å |
| 282 | A | 76.3 | Confident | 72 | Confident | 64 Ų | 64 | 113.9 Ų | 113.9 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.3 | -33.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | E278 G286 | E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.37Å; A282-G286 WeakPolarHBondContact O-CA 3.47Å; A282-G286 PolarHBondContact O-N 3.17Å |
| 283 | V | 70.4 | Confident | 70.2 | Confident | 114 Ų | 114 | 119.1 Ų | 119.1 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.2 | -38 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | R279 R280 Q281 G286 | R279-V283 VanDerWaalsContact O-CG2 3.28Å; R279-V283 WeakPolarHBondContact O-CG2 3.4Å; R279-V283 PolarHBondContact O-N 2.9Å; R279-V283 VanDerWaalsContact O-N 3.13Å; R280-V283 PolarHBondContact O-N 3Å; Q281-V283 PolarHBondContact O-N 2.93Å; V283-G286 PolarHBondContact O-N 3.31Å |
| 284 | T | 69.3 | Low | 68.8 | Low | 96 Ų | 96 | 116.5 Ų | 116.5 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -33.2 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | R280 Q281 G286 | R280-T284 PolarHBondContact O-N 3.03Å; R280-T284 PolarHBondContact O-OG1 2.98Å; Q281-T284 CarbonylContact O-C 3.56Å; Q281-T284 PolarHBondContact O-N 2.54Å; Q281-T284 VanDerWaalsContact O-N 3.07Å; T284-G286 VanDerWaalsContact C-N 3.28Å |
| 285 | E | 61.2 | Low | 67.3 | Low | 138 Ų | 138 | 114.8 Ų | 114.8 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -84.4 | -3.5 | 174.2 | -69.1 | 173.7 | -179.3 | 0 | 0 | 112.5 | Q281 A287 | Q281-E285 WeakPolarHBondContact O-CB 3.26Å; Q281-E285 WeakPolarHBondContact O-CG 3.44Å; Q281-E285 PolarHBondContact O-N 3.21Å; E285-A287 PolarHBondContact O-N 3.32Å |
| 286 | G | 55.9 | Low | 66 | Low | 43 Ų | 43 | 112.3 Ų | 112.3 | 44% | 0.443 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | 27.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118 | A282 V283 T284 | A282-G286 WeakPolarHBondContact O-CA 3.47Å; A282-G286 PolarHBondContact O-N 3.17Å; V283-G286 PolarHBondContact O-N 3.31Å; T284-G286 VanDerWaalsContact C-N 3.28Å |
| 287 | A | 51.2 | Low | 65.6 | Low | 83 Ų | 83 | 114.2 Ų | 114.2 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -13 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E285 | E285-A287 PolarHBondContact O-N 3.32Š|
| 288 | S | 53.2 | Low | 65.6 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 57% | 0.573 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -110.8 | -12.5 | -174.9 | -86.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 289 | Q | 54.4 | Low | 65.7 | Low | 165 Ų | 165 | 107 Ų | 107 | 77% | 0.771 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -83 | -24 | -174.6 | -70 | -147.5 | -12.3 | 0 | 0 | 115.3 | H291 | Q289-H291 VanDerWaalsContact C-N 3.29Å; Q289-H291 PolarHBondContact O-N 2.91Å |
| 290 | L | 52.3 | Low | 65.7 | Low | 157 Ų | 157 | 101.5 Ų | 101.5 | 82% | 0.822 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.5 | -25.7 | 175 | -73 | 170.9 | 0 | 0 | 0 | 112.6 | ||
| 291 | H | 53.2 | Low | 65.9 | Low | 130 Ų | 130 | 94 Ų | 94 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -84.2 | -20.2 | -179.3 | -66 | 100.7 | 0 | 0 | 0 | 113.5 | Q289 | Q289-H291 VanDerWaalsContact C-N 3.29Å; Q289-H291 PolarHBondContact O-N 2.91Å |
| 292 | M | 51.8 | Low | 66.5 | Low | 145 Ų | 145 | 95.9 Ų | 95.9 | 71% | 0.714 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -82.4 | -17.7 | -176.3 | -74.5 | -68.5 | 166.1 | 0 | 0 | 114.7 | A294 | M292-A294 VanDerWaalsContact C-N 3.34Å |
| 293 | R | 53.7 | Low | 66.9 | Low | 211 Ų | 211 | 95.8 Ų | 95.8 | 80% | 0.796 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.4 | 174.2 | -92.5 | -175.7 | 171 | 161.2 | -1.7 | 113.7 | ||
| 294 | A | 55.8 | Low | 67.4 | Low | 23 Ų | 23 | 98.1 Ų | 98.1 | 19% | 0.19 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -90.5 | -15.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | M292 G296 | M292-A294 VanDerWaalsContact C-N 3.34Å; A294-G296 VanDerWaalsContact C-N 3.25Å; A294-G296 PolarHBondContact O-N 3.16Å |
| 295 | V | 57.6 | Low | 67.9 | Low | 121 Ų | 121 | 96.9 Ų | 96.9 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -77.4 | -7.1 | -169.3 | -174.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 296 | G | 63.4 | Low | 69.1 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 68% | 0.68 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -137 | 4.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A294 | A294-G296 VanDerWaalsContact C-N 3.25Å; A294-G296 PolarHBondContact O-N 3.16Å |
| 297 | E | 79.9 | Confident | 70.6 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 129.9 | 179.1 | -70.8 | -170.9 | 170.2 | 0 | 0 | 111 | C312 | E297-C312 HydrophobicContact CB-CB 4.34Å; E297-C312 WeakPolarHBondContact O-CB 3.37Å; E297-C312 PolarHBondContact O-N 3.24Å; E297-C312 PolarHBondContact O-SG 2.96Å |
| 298 | I | 86.9 | Confident | 72.4 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -89 | 140.6 | 177.4 | -62.7 | 172.1 | 0 | 0 | 0 | 109.1 | M300 C308 C312 | I298-M300 PolarHBondContact O-N 3.4Å; I298-C308 WeakPolarHBondContact CG2-O 3.46Å; I298-C312 PolarHBondContact O-SG 3.22Å |
| 299 | C | 89.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 97.9 Ų | 97.9 | 0% | 0 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -47.6 | 134.5 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 113 | A301 C308 N310 C312 C319 | C299-A301 VanDerWaalsContact C-N 3.29Å; C299-A301 PolarHBondContact O-N 3.03Å; C299-A301 WeakPolarHBondContact SG-CB 3.4Å; C299-A301 PolarHBondContact SG-N 3.05Å; C299-A301 VanDerWaalsContact SG-N 3.41Å; C299-C308 HydrophobicContact CB-CB 3.84Å; C299-N310 VanDerWaalsContact CB-O 3.28Å; C299-N310 WeakPolarHBondContact CB-O 3.47Å; C299-N310 PolarHBondContact N-O 3.09Å; C299-C312 VanDerWaalsContact CA-SG 3.5Å; C299-C312 PolarHBondContact N-SG 2.95Å; C299-C312 VanDerWaalsContact N-SG 3.4Å; C299-C319 HydrophobicContact CB-CB 3.97Å; C299-C319 PolarHBondContact SG-N 2.91Å; C299-C319 VanDerWaalsContact SG-N 3.37Å |
| 300 | M | 85.8 | Confident | 75.7 | Confident | 60 Ų | 60 | 93.8 Ų | 93.8 | 30% | 0.296 | 51% | 0.506 | S | S | . | . | trans | -81.1 | -3.5 | 178.8 | -62.8 | -163.9 | -45 | 0 | 0 | 115 | I298 F302 R317 | I298-M300 PolarHBondContact O-N 3.4Å; M300-F302 VanDerWaalsContact O-CD2 3.26Å; M300-F302 WeakPolarHBondContact O-CD2 3.29Å; M300-F302 WeakPolarHBondContact O-CE2 3.41Å; M300-R317 HydrophobicContact CE-CB 3.4Å; M300-R317 HydrophobicContact CE-CG 4.09Å; M300-R317 HydrophobicContact CG-CB 4.25Å; M300-R317 PolarHBondContact N-O 2.97Å; M300-R317 HydrophobicContact SD-CB 4.04Å; M300-R317 PolarHBondContact SD-NE 3.43Å; M300-R317 PolarHBondContact SD-NH2 2.78Å | ||
| 301 | A | 86.8 | Confident | 77.5 | Confident | 3 Ų | 3 | 90.7 Ų | 90.7 | 3% | 0.025 | 50% | 0.496 | C | S | . | . | trans | -67.3 | 143.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C299 C308 H322 | C299-A301 VanDerWaalsContact C-N 3.29Å; C299-A301 PolarHBondContact O-N 3.03Å; C299-A301 WeakPolarHBondContact SG-CB 3.4Å; C299-A301 PolarHBondContact SG-N 3.05Å; C299-A301 VanDerWaalsContact SG-N 3.41Å; A301-C308 HydrophobicContact CB-CB 4.27Å; A301-C308 PolarHBondContact O-N 3.24Å; A301-H322 HydrophobicContact CB-CB 3.44Å; A301-H322 VanDerWaalsContact CB-CB 3.44Å; A301-H322 WeakPolarHBondContact CB-ND1 3.28Å | ||
| 302 | F | 88 | Confident | 79.2 | Confident | 130 Ų | 130 | 85.1 Ų | 85.1 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.3 | 171.7 | -69.7 | -102.5 | 0 | 0 | 0 | 108.8 | M300 V306 R307 | M300-F302 VanDerWaalsContact O-CD2 3.26Å; M300-F302 WeakPolarHBondContact O-CD2 3.29Å; M300-F302 WeakPolarHBondContact O-CE2 3.41Å; F302-V306 WeakPolarHBondContact CA-O 3.46Å; F302-R307 HydrophobicContact CD1-CG 3.6Å; F302-R307 HydrophobicContact CD2-CG 4.49Å; F302-R307 HydrophobicContact CE1-CB 4.46Å; F302-R307 HydrophobicContact CE1-CG 3.12Å; F302-R307 HydrophobicContact CE2-CG 4.09Å; F302-R307 HydrophobicContact CG-CG 4.28Å; F302-R307 HydrophobicContact CZ-CG 3.41Å; F302-R307 VanDerWaalsContact CZ-CG 3.41Å |
| 303 | V | 84.2 | Confident | 80.7 | Confident | 61 Ų | 61 | 80 Ų | 80 | 37% | 0.37 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123 | 174.1 | -175 | 0 | 0 | 0 | 0 | 107 | G305 V306 H322 | V303-G305 PolarHBondContact O-N 3.3Å; V303-V306 PolarHBondContact N-O 3.38Å; V303-V306 PolarHBondContact O-N 3.16Å; V303-H322 VanDerWaalsContact CG2-NE2 3.28Å; V303-H322 WeakPolarHBondContact CG2-NE2 3.41Å |
| 304 | D | 81.2 | Confident | 82 | Confident | 164 Ų | 164 | 74.3 Ų | 74.3 | 88% | 0.877 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 35.1 | -179.9 | -56.5 | -36.9 | 0 | 0 | 0 | 114.3 | V306 | D304-V306 VanDerWaalsContact C-N 3.34Š|
| 305 | G | 79.8 | Confident | 82.9 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -0.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V303 | V303-G305 PolarHBondContact O-N 3.3Š|
| 306 | V | 86.7 | Confident | 84.1 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 62% | 0.624 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.4 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | F302 V303 D304 | F302-V306 WeakPolarHBondContact CA-O 3.46Å; V303-V306 PolarHBondContact N-O 3.38Å; V303-V306 PolarHBondContact O-N 3.16Å; D304-V306 VanDerWaalsContact C-N 3.34Å |
| 307 | R | 88.3 | Confident | 85.1 | Confident | 137 Ų | 137 | 79.6 Ų | 79.6 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.5 | 175.3 | -72.2 | -176.5 | 63.9 | -169.2 | -3.8 | 110.7 | F302 T309 | F302-R307 HydrophobicContact CD1-CG 3.6Å; F302-R307 HydrophobicContact CD2-CG 4.49Å; F302-R307 HydrophobicContact CE1-CB 4.46Å; F302-R307 HydrophobicContact CE1-CG 3.12Å; F302-R307 HydrophobicContact CE2-CG 4.09Å; F302-R307 HydrophobicContact CG-CG 4.28Å; F302-R307 HydrophobicContact CZ-CG 3.41Å; F302-R307 VanDerWaalsContact CZ-CG 3.41Å; R307-T309 PolarHBondContact O-N 3.1Å |
| 308 | C | 88.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 10% | 0.095 | 42% | 0.422 | C | S | . | . | trans | -60.3 | 134.6 | 171 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | I298 C299 A301 C319 H322 | I298-C308 WeakPolarHBondContact CG2-O 3.46Å; C299-C308 HydrophobicContact CB-CB 3.84Å; A301-C308 HydrophobicContact CB-CB 4.27Å; A301-C308 PolarHBondContact O-N 3.24Å; C308-C319 VanDerWaalsContact SG-SG 3.67Å; C308-H322 PolarHBondContact SG-CE1 3.28Å; C308-H322 PolarHBondContact SG-ND1 2.88Å; C308-H322 VanDerWaalsContact SG-ND1 3.36Å | ||
| 309 | T | 88.7 | Confident | 85.7 | Confident | 114 Ų | 114 | 71.9 Ų | 71.9 | 70% | 0.699 | 40% | 0.402 | S | S | * | . | trans | -94.7 | -4 | 179.3 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | R307 | R307-T309 PolarHBondContact O-N 3.1Š| ||
| 310 | N | 88.3 | Confident | 85.6 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -70.6 | 146.1 | -178.5 | -66.8 | -25.4 | 0 | 0 | 0 | 111 | C299 C319 | C299-N310 VanDerWaalsContact CB-O 3.28Å; C299-N310 WeakPolarHBondContact CB-O 3.47Å; C299-N310 PolarHBondContact N-O 3.09Å; N310-C319 HydrophobicContact CB-CB 3.68Å |
| 311 | P | 89.1 | Confident | 85.6 | Confident | 93 Ų | 93 | 76.7 Ų | 76.7 | 60% | 0.604 | 43% | 0.433 | S | S | * | . | B | Isolated β-bridge | trans | -63.6 | 144.1 | 175.7 | 27.2 | -34.1 | 0 | 0 | 0 | 111.1 | C319 | P311-C319 WeakPolarHBondContact O-CB 3.26Å |
| 312 | C | 88.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 8% | 0.081 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 151.6 | 171 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | E297 I298 C299 A316 R317 | E297-C312 HydrophobicContact CB-CB 4.34Å; E297-C312 WeakPolarHBondContact O-CB 3.37Å; E297-C312 PolarHBondContact O-N 3.24Å; E297-C312 PolarHBondContact O-SG 2.96Å; I298-C312 PolarHBondContact O-SG 3.22Å; C299-C312 VanDerWaalsContact CA-SG 3.5Å; C299-C312 PolarHBondContact N-SG 2.95Å; C299-C312 VanDerWaalsContact N-SG 3.4Å; C312-A316 WeakPolarHBondContact CB-O 3.28Å; C312-R317 PolarHBondContact SG-O 3.26Å |
| 313 | L | 83.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.199 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.8 | 167.6 | -77.7 | 162.3 | 0 | 0 | 0 | 111.2 | V315 A316 H318 L320 I323 | L313-V315 PolarHBondContact O-N 2.81Å; L313-A316 HydrophobicContact CB-CB 3.99Å; L313-A316 PolarHBondContact O-N 3Å; L313-H318 PolarHBondContact N-O 2.97Å; L313-L320 HydrophobicContact CD1-CB 4.48Å; L313-L320 HydrophobicContact CD1-CD2 3.58Å; L313-L320 HydrophobicContact CD1-CG 3.78Å; L313-L320 HydrophobicContact CD2-CD1 4.34Å; L313-L320 HydrophobicContact CD2-CD2 3.92Å; L313-L320 HydrophobicContact CD2-CG 3.8Å; L313-L320 HydrophobicContact CG-CD2 4.24Å; L313-L320 HydrophobicContact CG-CG 4.04Å; L313-I323 HydrophobicContact CD1-CB 4.42Å; L313-I323 HydrophobicContact CD1-CD1 3.49Å; L313-I323 VanDerWaalsContact CD1-CD1 3.49Å; L313-I323 HydrophobicContact CD1-CG1 4.43Å |
| 314 | P | 80.7 | Confident | 85.8 | Confident | 91 Ų | 91 | 71 Ų | 71 | 59% | 0.591 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 130.8 | 174 | -24.8 | 34 | 0 | 0 | 0 | 111.2 | A316 | P314-A316 PolarHBondContact O-N 3.27Š|
| 315 | V | 75.8 | Confident | 86 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 92% | 0.915 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 0.7 | 178.7 | -158.5 | 0 | 0 | 0 | 0 | 114.3 | L313 | L313-V315 PolarHBondContact O-N 2.81Š|
| 316 | A | 81.5 | Confident | 86.2 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | trans | -114.5 | 159.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C312 L313 P314 I323 | C312-A316 WeakPolarHBondContact CB-O 3.28Å; L313-A316 HydrophobicContact CB-CB 3.99Å; L313-A316 PolarHBondContact O-N 3Å; P314-A316 PolarHBondContact O-N 3.27Å; A316-I323 HydrophobicContact CB-CD1 4.41Å | ||
| 317 | R | 85.8 | Confident | 85.9 | Confident | 150 Ų | 150 | 66.8 Ų | 66.8 | 57% | 0.566 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -100.3 | 7.8 | 179.6 | -52.6 | -179.9 | 75.2 | -171.3 | 1.5 | 113.3 | M300 C312 | M300-R317 HydrophobicContact CE-CB 3.4Å; M300-R317 HydrophobicContact CE-CG 4.09Å; M300-R317 HydrophobicContact CG-CB 4.25Å; M300-R317 PolarHBondContact N-O 2.97Å; M300-R317 HydrophobicContact SD-CB 4.04Å; M300-R317 PolarHBondContact SD-NE 3.43Å; M300-R317 PolarHBondContact SD-NH2 2.78Å; C312-R317 PolarHBondContact SG-O 3.26Å |
| 318 | H | 89.3 | Confident | 85.6 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -132.8 | 151.6 | -174.4 | -59.5 | 94.3 | 0 | 0 | 0 | 110.6 | L313 I323 D326 | L313-H318 PolarHBondContact N-O 2.97Å; H318-I323 HydrophobicContact CB-CB 4.41Å; H318-D326 IonicContact CE1-OD2 3.82Å; H318-D326 WeakPolarHBondContact ND1-CB 3.48Å; H318-D326 IonicContact ND1-OD2 2.87Å; H318-D326 PolarHBondContact ND1-OD2 2.95Å; H318-D326 VanDerWaalsContact ND1-OD2 3.16Å |
| 319 | C | 89.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | trans | -79.9 | 169.2 | 172.5 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | C299 C308 N310 P311 S321 H322 I323 | C299-C319 HydrophobicContact CB-CB 3.97Å; C299-C319 PolarHBondContact SG-N 2.91Å; C299-C319 VanDerWaalsContact SG-N 3.37Å; C308-C319 VanDerWaalsContact SG-SG 3.67Å; N310-C319 HydrophobicContact CB-CB 3.68Å; P311-C319 WeakPolarHBondContact O-CB 3.26Å; C319-S321 PolarHBondContact O-N 3.48Å; C319-S321 VanDerWaalsContact O-N 3.12Å; C319-S321 PolarHBondContact SG-OG 3.38Å; C319-H322 CarbonylContact O-C 3.56Å; C319-H322 PolarHBondContact O-N 3.23Å; C319-H322 PolarHBondContact SG-ND1 2.94Å; C319-H322 VanDerWaalsContact SG-ND1 3.37Å; C319-I323 WeakPolarHBondContact O-CB 3.26Å; C319-I323 PolarHBondContact O-N 3.5Å | ||
| 320 | L | 87.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.9 | -179.4 | -76.7 | 164 | 0 | 0 | 0 | 114.3 | L313 I323 F332 T346 | L313-L320 HydrophobicContact CD1-CB 4.48Å; L313-L320 HydrophobicContact CD1-CD2 3.58Å; L313-L320 HydrophobicContact CD1-CG 3.78Å; L313-L320 HydrophobicContact CD2-CD1 4.34Å; L313-L320 HydrophobicContact CD2-CD2 3.92Å; L313-L320 HydrophobicContact CD2-CG 3.8Å; L313-L320 HydrophobicContact CG-CD2 4.24Å; L313-L320 HydrophobicContact CG-CG 4.04Å; L320-I323 WeakPolarHBondContact O-CG2 3.29Å; L320-F332 HydrophobicContact CD2-CD1 4.49Å; L320-F332 HydrophobicContact CD2-CE1 3.76Å; L320-F332 HydrophobicContact CD2-CZ 4.14Å; L320-T346 VanDerWaalsContact O-CB 3.27Å; L320-T346 WeakPolarHBondContact O-CB 3.39Å; L320-T346 WeakPolarHBondContact O-CG2 3.09Å; L320-T346 PolarHBondContact O-OG1 3.44Å |
| 321 | S | 86.8 | Confident | 85.1 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -26.2 | 179.4 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | C319 | C319-S321 PolarHBondContact O-N 3.48Å; C319-S321 VanDerWaalsContact O-N 3.12Å; C319-S321 PolarHBondContact SG-OG 3.38Å |
| 322 | H | 88.6 | Confident | 85 | Confident | 28 Ų | 28 | 66 Ų | 66 | 13% | 0.13 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 2.1 | -174.8 | -59.4 | 137.6 | 0 | 0 | 0 | 114.1 | A301 V303 C308 C319 C324 Q325 | A301-H322 HydrophobicContact CB-CB 3.44Å; A301-H322 VanDerWaalsContact CB-CB 3.44Å; A301-H322 WeakPolarHBondContact CB-ND1 3.28Å; V303-H322 VanDerWaalsContact CG2-NE2 3.28Å; V303-H322 WeakPolarHBondContact CG2-NE2 3.41Å; C308-H322 PolarHBondContact SG-CE1 3.28Å; C308-H322 PolarHBondContact SG-ND1 2.88Å; C308-H322 VanDerWaalsContact SG-ND1 3.36Å; C319-H322 CarbonylContact O-C 3.56Å; C319-H322 PolarHBondContact O-N 3.23Å; C319-H322 PolarHBondContact SG-ND1 2.94Å; C319-H322 VanDerWaalsContact SG-ND1 3.37Å; H322-C324 PolarHBondContact O-N 2.87Å; H322-C324 VanDerWaalsContact O-N 3.12Å; H322-Q325 PolarHBondContact CD2-NE2 2.96Å; H322-Q325 VanDerWaalsContact O-CB 3.28Å; H322-Q325 WeakPolarHBondContact O-CB 3.19Å; H322-Q325 PolarHBondContact O-N 2.84Å |
| 323 | I | 88.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -59.1 | -26.4 | 179.7 | -164.5 | 170.1 | 0 | 0 | 0 | 112.6 | L313 A316 H318 C319 L320 Q325 D326 Q329 F332 T346 | L313-I323 HydrophobicContact CD1-CB 4.42Å; L313-I323 HydrophobicContact CD1-CD1 3.49Å; L313-I323 VanDerWaalsContact CD1-CD1 3.49Å; L313-I323 HydrophobicContact CD1-CG1 4.43Å; A316-I323 HydrophobicContact CB-CD1 4.41Å; H318-I323 HydrophobicContact CB-CB 4.41Å; C319-I323 WeakPolarHBondContact O-CB 3.26Å; C319-I323 PolarHBondContact O-N 3.5Å; L320-I323 WeakPolarHBondContact O-CG2 3.29Å; I323-Q325 PolarHBondContact O-N 2.71Å; I323-D326 WeakPolarHBondContact O-CB 3.28Å; I323-D326 PolarHBondContact O-N 2.99Å; I323-D326 VanDerWaalsContact O-N 3.17Å; I323-Q329 VanDerWaalsContact CG1-CD 3.44Å; I323-Q329 HydrophobicContact CG1-CG 4.15Å; I323-Q329 WeakPolarHBondContact O-CB 3.41Å; I323-Q329 WeakPolarHBondContact O-CG 3.27Å; I323-F332 HydrophobicContact CD1-CD2 3.85Å; I323-F332 HydrophobicContact CD1-CE2 4.02Å; I323-F332 HydrophobicContact CD1-CG 4.42Å; I323-F332 HydrophobicContact CG2-CB 3.93Å; I323-F332 HydrophobicContact CG2-CG 4.19Å; I323-T346 HydrophobicContact CG2-CG2 3.64Å |
| 324 | C | 85.1 | Confident | 85 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 30% | 0.297 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -69.7 | -10.2 | 173.6 | -61 | 0 | 0 | 0 | 0 | 114.3 | H322 D326 I334 | H322-C324 PolarHBondContact O-N 2.87Å; H322-C324 VanDerWaalsContact O-N 3.12Å; C324-D326 VanDerWaalsContact C-N 3.35Å; C324-I334 HydrophobicContact CB-CD1 4.38Å; C324-I334 HydrophobicContact CB-CG1 4.1Å |
| 325 | Q | 84.7 | Confident | 85.3 | Confident | 102 Ų | 102 | 69.1 Ų | 69.1 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -84.1 | -13.3 | 173 | -60 | 176.9 | 1.9 | 0 | 0 | 112.2 | H322 I323 | H322-Q325 PolarHBondContact CD2-NE2 2.96Å; H322-Q325 VanDerWaalsContact O-CB 3.28Å; H322-Q325 WeakPolarHBondContact O-CB 3.19Å; H322-Q325 PolarHBondContact O-N 2.84Å; I323-Q325 PolarHBondContact O-N 2.71Å |
| 326 | D | 85.1 | Confident | 85.5 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | trans | -73.9 | 127.2 | 176.2 | -161.7 | -36.2 | 0 | 0 | 0 | 110.2 | H318 I323 C324 N328 Q329 | H318-D326 IonicContact CE1-OD2 3.82Å; H318-D326 WeakPolarHBondContact ND1-CB 3.48Å; H318-D326 IonicContact ND1-OD2 2.87Å; H318-D326 PolarHBondContact ND1-OD2 2.95Å; H318-D326 VanDerWaalsContact ND1-OD2 3.16Å; I323-D326 WeakPolarHBondContact O-CB 3.28Å; I323-D326 PolarHBondContact O-N 2.99Å; I323-D326 VanDerWaalsContact O-N 3.17Å; C324-D326 VanDerWaalsContact C-N 3.35Å; D326-N328 PolarHBondContact O-N 3.27Å; D326-N328 PolarHBondContact OD1-N 2.88Å; D326-Q329 HydrophobicContact CB-CB 4.14Å; D326-Q329 VanDerWaalsContact O-CB 3.29Å; D326-Q329 WeakPolarHBondContact O-CB 3.23Å; D326-Q329 PolarHBondContact O-N 2.99Å | ||
| 327 | S | 80.8 | Confident | 85.5 | Confident | 112 Ų | 112 | 64.5 Ų | 64.5 | 78% | 0.783 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.5 | -179.1 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | Q329 | S327-Q329 VanDerWaalsContact C-N 3.32Š|
| 328 | N | 81.8 | Confident | 85.1 | Confident | 130 Ų | 130 | 62 Ų | 62 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11.3 | -178.8 | -60.4 | -38.1 | 0 | 0 | 0 | 112.3 | D326 V330 | D326-N328 PolarHBondContact O-N 3.27Å; D326-N328 PolarHBondContact OD1-N 2.88Å; N328-V330 PolarHBondContact O-N 3.45Å |
| 329 | Q | 85.6 | Confident | 84.1 | Confident | 45 Ų | 45 | 71.2 Ų | 71.2 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | trans | -75.7 | 113 | -174.3 | -174.1 | 58 | 2.5 | 0 | 0 | 112.9 | I323 D326 S327 F332 | I323-Q329 VanDerWaalsContact CG1-CD 3.44Å; I323-Q329 HydrophobicContact CG1-CG 4.15Å; I323-Q329 WeakPolarHBondContact O-CB 3.41Å; I323-Q329 WeakPolarHBondContact O-CG 3.27Å; D326-Q329 HydrophobicContact CB-CB 4.14Å; D326-Q329 VanDerWaalsContact O-CB 3.29Å; D326-Q329 WeakPolarHBondContact O-CB 3.23Å; D326-Q329 PolarHBondContact O-N 2.99Å; S327-Q329 VanDerWaalsContact C-N 3.32Å; Q329-F332 WeakPolarHBondContact CG-O 3.45Å | ||
| 330 | V | 83.7 | Confident | 83.2 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | trans | -116 | -15.5 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | N328 | N328-V330 PolarHBondContact O-N 3.45Š| ||
| 331 | L | 84.9 | Confident | 82.6 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -94 | -18.5 | -172.6 | -66.4 | 179.1 | 0 | 0 | 0 | 114 | H348 M349 | L331-H348 CarbonylContact O-C 3.51Å; L331-H348 WeakPolarHBondContact O-CA 3.49Å; L331-M349 PolarHBondContact O-N 3.28Å |
| 332 | F | 86.8 | Confident | 82.2 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 18% | 0.184 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.4 | -177.2 | -60.4 | -112.5 | 0 | 0 | 0 | 110.6 | L320 I323 Q329 T346 V347 H348 | L320-F332 HydrophobicContact CD2-CD1 4.49Å; L320-F332 HydrophobicContact CD2-CE1 3.76Å; L320-F332 HydrophobicContact CD2-CZ 4.14Å; I323-F332 HydrophobicContact CD1-CD2 3.85Å; I323-F332 HydrophobicContact CD1-CE2 4.02Å; I323-F332 HydrophobicContact CD1-CG 4.42Å; I323-F332 HydrophobicContact CG2-CB 3.93Å; I323-F332 HydrophobicContact CG2-CG 4.19Å; Q329-F332 WeakPolarHBondContact CG-O 3.45Å; F332-T346 HydrophobicContact CB-CG2 3.67Å; F332-T346 HydrophobicContact CD1-CG2 3.85Å; F332-T346 HydrophobicContact CG-CG2 4.18Å; F332-V347 CarbonylContact C-O 3.59Å; F332-V347 VanDerWaalsContact CA-O 3.25Å; F332-V347 WeakPolarHBondContact CA-O 3.49Å; F332-H348 HydrophobicContact CD1-CB 4.22Å; F332-H348 HydrophobicContact CE1-CB 4.17Å; F332-H348 AromaticContact CE2-CD2 3.95Å; F332-H348 AromaticContact CZ-CD2 3.86Å |
| 333 | K | 86.9 | Confident | 82 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 164.2 | 176.2 | -78.3 | -177.6 | 177.4 | 168.2 | 0 | 110.5 | T346 V347 M349 | K333-T346 WeakPolarHBondContact O-CA 3.47Å; K333-V347 PolarHBondContact N-O 3.41Å; K333-V347 VanDerWaalsContact O-CG2 3.23Å; K333-V347 WeakPolarHBondContact O-CG2 3.46Å; K333-V347 PolarHBondContact O-N 3.02Å; K333-M349 HydrophobicContact CB-CG 4.37Å; K333-M349 HydrophobicContact CD-CE 4.37Å; K333-M349 HydrophobicContact CD-CG 4.12Å; K333-M349 HydrophobicContact CD-SD 3.42Å; K333-M349 WeakPolarHBondContact CD-SD 3.28Å; K333-M349 WeakPolarHBondContact CE-SD 3.35Å; K333-M349 HydrophobicContact CG-CG 4.04Å; K333-M349 HydrophobicContact CG-SD 3.63Å |
| 334 | I | 86.1 | Confident | 81.6 | Confident | 97 Ų | 97 | 85.3 Ų | 85.3 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.7 | 171.8 | -56.9 | 175.9 | 0 | 0 | 0 | 108.5 | C324 C343 | C324-I334 HydrophobicContact CB-CD1 4.38Å; C324-I334 HydrophobicContact CB-CG1 4.1Å; I334-C343 WeakPolarHBondContact CG2-O 3.36Å |
| 335 | C | 86.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 89.3 Ų | 89.3 | 3% | 0.027 | 48% | 0.475 | C | S | . | . | trans | -59.5 | 128.4 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | G337 C343 R345 V347 C357 H360 | C335-G337 PolarHBondContact O-N 3.12Å; C335-G337 PolarHBondContact SG-N 2.82Å; C335-C343 HydrophobicContact CB-CB 3.97Å; C335-C343 VanDerWaalsContact O-O 3.09Å; C335-R345 VanDerWaalsContact CB-O 3.29Å; C335-R345 WeakPolarHBondContact CB-O 3.19Å; C335-R345 PolarHBondContact N-O 2.91Å; C335-V347 HydrophobicContact CB-CG2 3.93Å; C335-C357 HydrophobicContact CB-CB 4.23Å; C335-C357 PolarHBondContact SG-N 2.79Å; C335-C357 VanDerWaalsContact SG-N 3.42Å; C335-H360 PolarHBondContact SG-ND1 2.78Å | ||
| 336 | P | 81.3 | Confident | 81.6 | Confident | 70 Ų | 70 | 86.1 Ų | 86.1 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | trans | -67.4 | -11.1 | -177.6 | 26.4 | -33.7 | 0 | 0 | 0 | 113.9 | P355 R356 | P336-P355 WeakPolarHBondContact CD-O 3.29Å; P336-R356 HydrophobicContact CG-CG 4.11Å | ||
| 337 | G | 80.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 85.4 Ų | 85.4 | 3% | 0.031 | 46% | 0.46 | C | S | . | . | trans | 71.8 | -168.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C335 R356 | C335-G337 PolarHBondContact O-N 3.12Å; C335-G337 PolarHBondContact SG-N 2.82Å; G337-R356 PolarHBondContact O-NH1 2.98Å | ||
| 338 | L | 76.8 | Confident | 81.8 | Confident | 97 Ų | 97 | 85 Ų | 85 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -101.9 | 156.6 | 169.2 | -74.3 | 164.9 | 0 | 0 | 0 | 108.6 | D340 A341 | L338-D340 PolarHBondContact O-N 3.37Å; L338-A341 PolarHBondContact N-O 3.12Å; L338-A341 CarbonylContact O-C 3.6Å; L338-A341 PolarHBondContact O-N 3.06Å; L338-A341 VanDerWaalsContact O-O 3.08Å |
| 339 | K | 69.2 | Low | 81.8 | Confident | 212 Ų | 212 | 81.4 Ų | 81.4 | 92% | 0.922 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -22.4 | -173.2 | -69.1 | -176 | 178.1 | -178.2 | 0 | 114.2 | ||
| 340 | D | 70.1 | Confident | 81 | Confident | 163 Ų | 163 | 81.1 Ų | 81.1 | 87% | 0.872 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -0.2 | -176.2 | -52.2 | -47 | 0 | 0 | 0 | 114.1 | L338 | L338-D340 PolarHBondContact O-N 3.37Š|
| 341 | A | 75.3 | Confident | 79.9 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -152.3 | 117.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L338 | L338-A341 PolarHBondContact N-O 3.12Å; L338-A341 CarbonylContact O-C 3.6Å; L338-A341 PolarHBondContact O-N 3.06Å; L338-A341 VanDerWaalsContact O-O 3.08Å |
| 342 | P | 77.9 | Confident | 79 | Confident | 122 Ų | 122 | 84.6 Ų | 84.6 | 79% | 0.792 | 45% | 0.447 | S | S | * | . | trans | -67.1 | 148.1 | 174.4 | 29.1 | -33.6 | 0 | 0 | 0 | 110.9 | ||||
| 343 | C | 84.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 89.9 Ų | 89.9 | 9% | 0.088 | 48% | 0.477 | C | S | . | . | trans | -122.8 | 124.9 | -179.7 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | I334 C335 R345 H360 | I334-C343 WeakPolarHBondContact CG2-O 3.36Å; C335-C343 HydrophobicContact CB-CB 3.97Å; C335-C343 VanDerWaalsContact O-O 3.09Å; C343-R345 VanDerWaalsContact C-N 3.34Å; C343-H360 VanDerWaalsContact CB-CE1 3.46Å; C343-H360 WeakPolarHBondContact CB-CE1 3.44Å; C343-H360 PolarHBondContact SG-CE1 3.31Å; C343-H360 PolarHBondContact SG-ND1 3.49Å; C343-H360 VanDerWaalsContact SG-ND1 3.44Å | ||
| 344 | D | 80.8 | Confident | 77.6 | Confident | 147 Ų | 147 | 90 Ų | 90 | 79% | 0.786 | 48% | 0.483 | S | S | * | . | trans | -94.8 | 12.3 | -179.5 | -56.4 | -36.5 | 0 | 0 | 0 | 113.2 | T346 | D344-T346 PolarHBondContact O-N 3.44Š| ||
| 345 | R | 82.8 | Confident | 77.2 | Confident | 128 Ų | 128 | 85.8 Ų | 85.8 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | trans | -80.2 | 121.4 | -179.6 | -71.3 | -173.1 | -176.6 | -179.9 | 1.7 | 111 | C335 C343 C357 L359 | C335-R345 VanDerWaalsContact CB-O 3.29Å; C335-R345 WeakPolarHBondContact CB-O 3.19Å; C335-R345 PolarHBondContact N-O 2.91Å; C343-R345 VanDerWaalsContact C-N 3.34Å; R345-C357 HydrophobicContact CB-CB 4.08Å; R345-L359 VanDerWaalsContact CZ-CD1 3.41Å | ||
| 346 | T | 87.3 | Confident | 77.1 | Confident | 35 Ų | 35 | 89.3 Ų | 89.3 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.1 | 165.5 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | L320 I323 F332 K333 D344 | L320-T346 VanDerWaalsContact O-CB 3.27Å; L320-T346 WeakPolarHBondContact O-CB 3.39Å; L320-T346 WeakPolarHBondContact O-CG2 3.09Å; L320-T346 PolarHBondContact O-OG1 3.44Å; I323-T346 HydrophobicContact CG2-CG2 3.64Å; F332-T346 HydrophobicContact CB-CG2 3.67Å; F332-T346 HydrophobicContact CD1-CG2 3.85Å; F332-T346 HydrophobicContact CG-CG2 4.18Å; K333-T346 WeakPolarHBondContact O-CA 3.47Å; D344-T346 PolarHBondContact O-N 3.44Å |
| 347 | V | 86.5 | Confident | 77.3 | Confident | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.109 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 143 | 178.3 | -88.5 | 0 | 0 | 0 | 0 | 110.5 | F332 K333 C335 P355 C357 | F332-V347 CarbonylContact C-O 3.59Å; F332-V347 VanDerWaalsContact CA-O 3.25Å; F332-V347 WeakPolarHBondContact CA-O 3.49Å; K333-V347 PolarHBondContact N-O 3.41Å; K333-V347 VanDerWaalsContact O-CG2 3.23Å; K333-V347 WeakPolarHBondContact O-CG2 3.46Å; K333-V347 PolarHBondContact O-N 3.02Å; C335-V347 HydrophobicContact CB-CG2 3.93Å; V347-P355 HydrophobicContact CB-CB 4.29Å; V347-P355 HydrophobicContact CG2-CB 4.09Å; V347-P355 HydrophobicContact CG2-CG 4.28Å; V347-P355 WeakPolarHBondContact CG2-O 2.89Å; V347-C357 HydrophobicContact CG1-CB 3.78Å |
| 348 | H | 83.4 | Confident | 77.3 | Confident | 104 Ų | 104 | 91.3 Ų | 91.3 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134 | 175.3 | -173.1 | -84.9 | 0 | 0 | 0 | 110 | L331 F332 G350 P355 | L331-H348 CarbonylContact O-C 3.51Å; L331-H348 WeakPolarHBondContact O-CA 3.49Å; F332-H348 HydrophobicContact CD1-CB 4.22Å; F332-H348 HydrophobicContact CE1-CB 4.17Å; F332-H348 AromaticContact CE2-CD2 3.95Å; F332-H348 AromaticContact CZ-CD2 3.86Å; H348-G350 VanDerWaalsContact C-N 3.26Å; H348-G350 PolarHBondContact ND1-N 2.85Å; H348-G350 PolarHBondContact O-N 3.42Å; H348-P355 WeakPolarHBondContact O-CB 3.44Å |
| 349 | M | 80.4 | Confident | 77.4 | Confident | 55 Ų | 55 | 92.3 Ų | 92.3 | 27% | 0.271 | 49% | 0.492 | S | S | . | . | trans | -73.8 | 80.7 | 169.7 | -70.6 | -167.5 | 55.5 | 0 | 0 | 109.1 | L331 K333 P355 | L331-M349 PolarHBondContact O-N 3.28Å; K333-M349 HydrophobicContact CB-CG 4.37Å; K333-M349 HydrophobicContact CD-CE 4.37Å; K333-M349 HydrophobicContact CD-CG 4.12Å; K333-M349 HydrophobicContact CD-SD 3.42Å; K333-M349 WeakPolarHBondContact CD-SD 3.28Å; K333-M349 WeakPolarHBondContact CE-SD 3.35Å; K333-M349 HydrophobicContact CG-CG 4.04Å; K333-M349 HydrophobicContact CG-SD 3.63Å; M349-P355 HydrophobicContact CG-CG 4.21Å | ||
| 350 | G | 69.6 | Low | 78 | Confident | 39 Ų | 39 | 83.7 Ų | 83.7 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | trans | -69.9 | -167.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H348 S352 | H348-G350 VanDerWaalsContact C-N 3.26Å; H348-G350 PolarHBondContact ND1-N 2.85Å; H348-G350 PolarHBondContact O-N 3.42Å; G350-S352 PolarHBondContact O-N 3.24Å | ||
| 351 | Q | 60.7 | Low | 78.5 | Confident | 216 Ų | 216 | 80.7 Ų | 80.7 | 100% | 1.009 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -61.1 | 12.4 | -178.4 | -62.1 | -173.9 | -6 | 0 | 0 | 116 | ||
| 352 | S | 65.9 | Low | 78.5 | Confident | 58 Ų | 58 | 84 Ų | 84 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | trans | -113.7 | 133.5 | -179.8 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | G350 D354 | G350-S352 PolarHBondContact O-N 3.24Å; S352-D354 PolarHBondContact O-N 2.89Å | ||
| 353 | D | 68.1 | Low | 78.1 | Confident | 154 Ų | 154 | 84.6 Ų | 84.6 | 82% | 0.824 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -66.6 | -24.2 | 177.4 | -64.3 | -39.5 | 0 | 0 | 0 | 113.3 | P355 | D353-P355 WeakPolarHBondContact O-CD 3.28Š|
| 354 | D | 75.8 | Confident | 77.6 | Confident | 107 Ų | 107 | 89.2 Ų | 89.2 | 57% | 0.572 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -117.6 | 76.8 | 177.1 | -93.6 | -5.7 | 0 | 0 | 0 | 111.5 | S352 R356 | S352-D354 PolarHBondContact O-N 2.89Å; D354-R356 PolarHBondContact O-N 3.46Å |
| 355 | P | 79.1 | Confident | 77.2 | Confident | 10 Ų | 10 | 87.5 Ų | 87.5 | 7% | 0.065 | 48% | 0.477 | C | S | . | . | trans | -67.6 | 125.1 | 177.1 | 29.4 | -35.1 | 0 | 0 | 0 | 110.2 | P336 V347 H348 M349 D353 | P336-P355 WeakPolarHBondContact CD-O 3.29Å; V347-P355 HydrophobicContact CB-CB 4.29Å; V347-P355 HydrophobicContact CG2-CB 4.09Å; V347-P355 HydrophobicContact CG2-CG 4.28Å; V347-P355 WeakPolarHBondContact CG2-O 2.89Å; H348-P355 WeakPolarHBondContact O-CB 3.44Å; M349-P355 HydrophobicContact CG-CG 4.21Å; D353-P355 WeakPolarHBondContact O-CD 3.28Å | ||
| 356 | R | 84 | Confident | 76.7 | Confident | 78 Ų | 78 | 87 Ų | 87 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | trans | -116.4 | 145.9 | 178.3 | -68.5 | 169.1 | 179.9 | -84.2 | -9.3 | 109.7 | P336 G337 D354 H360 | P336-R356 HydrophobicContact CG-CG 4.11Å; G337-R356 PolarHBondContact O-NH1 2.98Å; D354-R356 PolarHBondContact O-N 3.46Å; R356-H360 HydrophobicContact CB-CB 4.28Å; R356-H360 VanDerWaalsContact CD-O 3.29Å; R356-H360 WeakPolarHBondContact CD-O 3.21Å | ||
| 357 | C | 84.4 | Confident | 75.5 | Confident | 1 Ų | 1 | 94.5 Ų | 94.5 | 1% | 0.007 | 53% | 0.525 | C | S | . | . | trans | -69.1 | 162.2 | 176 | 75.1 | 0 | 0 | 0 | 0 | 109.9 | C335 R345 V347 L359 H360 L361 | C335-C357 HydrophobicContact CB-CB 4.23Å; C335-C357 PolarHBondContact SG-N 2.79Å; C335-C357 VanDerWaalsContact SG-N 3.42Å; R345-C357 HydrophobicContact CB-CB 4.08Å; V347-C357 HydrophobicContact CG1-CB 3.78Å; C357-L359 PolarHBondContact O-N 3.43Å; C357-H360 CarbonylContact O-C 3.54Å; C357-H360 PolarHBondContact O-N 2.91Å; C357-H360 PolarHBondContact SG-ND1 3.05Å; C357-H360 VanDerWaalsContact SG-ND1 3.39Å; C357-L361 PolarHBondContact O-N 3.46Å | ||
| 358 | P | 81.1 | Confident | 74.6 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 74% | 0.74 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -22.6 | -178.6 | -28.4 | 35.5 | 0 | 0 | 0 | 114.9 | ||
| 359 | L | 79.9 | Confident | 73.3 | Confident | 117 Ų | 117 | 105.6 Ų | 105.6 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.4 | 176.7 | -60.8 | -177.4 | 0 | 0 | 0 | 113.9 | R345 C357 | R345-L359 VanDerWaalsContact CZ-CD1 3.41Å; C357-L359 PolarHBondContact O-N 3.43Å |
| 360 | H | 81.1 | Confident | 72.1 | Confident | 31 Ų | 31 | 107.7 Ų | 107.7 | 14% | 0.144 | 59% | 0.587 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | 3.7 | -178.9 | -62.1 | 134.3 | 0 | 0 | 0 | 112.5 | C335 C343 R356 C357 T362 | C335-H360 PolarHBondContact SG-ND1 2.78Å; C343-H360 VanDerWaalsContact CB-CE1 3.46Å; C343-H360 WeakPolarHBondContact CB-CE1 3.44Å; C343-H360 PolarHBondContact SG-CE1 3.31Å; C343-H360 PolarHBondContact SG-ND1 3.49Å; C343-H360 VanDerWaalsContact SG-ND1 3.44Å; R356-H360 HydrophobicContact CB-CB 4.28Å; R356-H360 VanDerWaalsContact CD-O 3.29Å; R356-H360 WeakPolarHBondContact CD-O 3.21Å; C357-H360 CarbonylContact O-C 3.54Å; C357-H360 PolarHBondContact O-N 2.91Å; C357-H360 PolarHBondContact SG-ND1 3.05Å; C357-H360 VanDerWaalsContact SG-ND1 3.39Å; H360-T362 PolarHBondContact O-N 3.37Å |
| 361 | L | 81.5 | Confident | 71.4 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | trans | -71.7 | 117.6 | 174.4 | -174.8 | 68.9 | 0 | 0 | 0 | 109.4 | C357 L363 | C357-L361 PolarHBondContact O-N 3.46Å; L361-L363 HydrophobicContact CD2-CD2 4.28Å; L361-L363 PolarHBondContact O-N 3.45Å | ||
| 362 | T | 74.7 | Confident | 71 | Confident | 115 Ų | 115 | 112.9 Ų | 112.9 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | trans | -77.6 | 107.6 | 173.4 | -48.6 | 0 | 0 | 0 | 0 | 108.7 | H360 | H360-T362 PolarHBondContact O-N 3.37Š| ||
| 363 | L | 69 | Low | 70.3 | Confident | 135 Ų | 135 | 119 Ų | 119 | 71% | 0.707 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.4 | 172.8 | -65.4 | 175.3 | 0 | 0 | 0 | 109.6 | L361 | L361-L363 HydrophobicContact CD2-CD2 4.28Å; L361-L363 PolarHBondContact O-N 3.45Å |
| 364 | P | 73.2 | Confident | 69.2 | Low | 111 Ų | 111 | 116.9 Ų | 116.9 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 142.1 | 169.7 | -21 | 31 | 0 | 0 | 0 | 110.2 | ||
| 365 | P | 73.8 | Confident | 67.8 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 71% | 0.714 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.9 | 174.7 | 21.6 | -29.8 | 0 | 0 | 0 | 110 | M367 | P365-M367 PolarHBondContact O-N 2.92Š|
| 366 | P | 70.6 | Confident | 66.2 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.7 | -179.4 | 23.4 | -32.4 | 0 | 0 | 0 | 109.7 | Y368 | P366-Y368 PolarHBondContact O-N 3.38Å; P366-Y368 VanDerWaalsContact O-N 3.12Å |
| 367 | M | 62.1 | Low | 64.2 | Low | 194 Ų | 194 | 128.1 Ų | 128.1 | 96% | 0.956 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -70.8 | 0.2 | -179.2 | -69.6 | -179.9 | 60.5 | 0 | 0 | 113.9 | P365 Q369 | P365-M367 PolarHBondContact O-N 2.92Å; M367-Q369 PolarHBondContact O-N 3.48Å |
| 368 | Y | 67.6 | Low | 62 | Low | 178 Ų | 178 | 136.7 Ų | 136.7 | 70% | 0.698 | 73% | 0.73 | S | S | * | * | trans | -91 | 102.2 | -179.3 | -169.6 | -100.2 | 0 | 0 | 0 | 110.8 | P366 P370 | P366-Y368 PolarHBondContact O-N 3.38Å; P366-Y368 VanDerWaalsContact O-N 3.12Å; Y368-P370 HydrophobicContact CD1-CG 4.37Å; Y368-P370 HydrophobicContact CE1-CB 4.21Å; Y368-P370 HydrophobicContact CE1-CG 4.11Å | ||
| 369 | Q | 57.8 | Low | 60.1 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 123.2 | 157.2 | -72.1 | -177.2 | -15 | 0 | 0 | 107.4 | M367 E371 | M367-Q369 PolarHBondContact O-N 3.48Å; Q369-E371 PolarHBondContact O-N 3.39Å |
| 370 | P | 54.7 | Low | 57.8 | Low | 99 Ų | 99 | 144 Ų | 144 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 129.4 | 172.2 | -20.7 | 31.2 | 0 | 0 | 0 | 109.8 | Y368 Q372 | Y368-P370 HydrophobicContact CD1-CG 4.37Å; Y368-P370 HydrophobicContact CE1-CB 4.21Å; Y368-P370 HydrophobicContact CE1-CG 4.11Å; P370-Q372 PolarHBondContact O-N 3.44Å |
| 371 | E | 54.5 | Low | 55.6 | Low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 125.4 | 175.9 | -156.8 | 160 | 140.1 | 0 | 0 | 109.4 | Q369 E373 | Q369-E371 PolarHBondContact O-N 3.39Å; E371-E373 PolarHBondContact O-N 3.42Å |
| 372 | Q | 51.8 | Low | 53.6 | Low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.3 | 172.4 | -80.2 | 176.9 | -12.5 | 0 | 0 | 108.4 | P370 | P370-Q372 PolarHBondContact O-N 3.44Š|
| 373 | E | 51.2 | Low | 51.5 | Low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 128.6 | 173.6 | -83.1 | 179.3 | 139 | 0 | 0 | 110.6 | E371 | E371-E373 PolarHBondContact O-N 3.42Š|
| 374 | P | 44.9 | Very low | 49.9 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 146.2 | 170.4 | 27.2 | -31.3 | 0 | 0 | 0 | 109.9 | ||
| 375 | P | 47.3 | Very low | 48.2 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 153.9 | -178 | 28.9 | -34 | 0 | 0 | 0 | 111.1 | Q377 | P375-Q377 PolarHBondContact O-N 3.47Š|
| 376 | P | 44.6 | Very low | 46.7 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118.5 | -173.6 | 26.4 | -32.3 | 0 | 0 | 0 | 110.3 | ||
| 377 | Q | 43.3 | Very low | 45.2 | Very low | 195 Ų | 195 | 156 Ų | 156 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 131 | 167.9 | -72.4 | -167.8 | -24.4 | 0 | 0 | 110.2 | P375 | P375-Q377 PolarHBondContact O-N 3.47Š|
| 378 | E | 38 | Very low | 44.1 | Very low | 180 Ų | 180 | 155.9 Ų | 155.9 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 151.4 | -175.5 | -62 | -177.5 | 146.3 | 0 | 0 | 113.4 | F380 | E378-F380 PolarHBondContact O-N 2.85Š|
| 379 | H | 39.9 | Very low | 42.8 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -44.3 | 123.9 | 175.4 | -68 | -92.8 | 0 | 0 | 0 | 114.8 | ||||
| 380 | F | 32.9 | Very low | 42.2 | Very low | 205 Ų | 205 | 150.2 Ų | 150.2 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | trans | -143.6 | 139.1 | 143.6 | -88.1 | -76.3 | 0 | 0 | 0 | 111.7 | E378 | E378-F380 PolarHBondContact O-N 2.85Š| ||
| 381 | T | 33.7 | Very low | 41.7 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 164.9 | -164.5 | 44.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 382 | P | 40.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 137.4 | -159.2 | 35.9 | -30.5 | 0 | 0 | 0 | 112.8 | ||||
| 383 | S | 30.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 178.5 | 102.4 | 156.8 | 157 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 384 | S | 34.9 | Very low | 40 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | 172.4 | 134.2 | 119.8 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 385 | K | 37.8 | Very low | 39.7 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -68.6 | 158 | -175.9 | -137.8 | -178.1 | 176.5 | 176.7 | 0 | 112.3 | ||||
| 386 | D | 42.4 | Very low | 39.3 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 81.4 | 101.2 | 156.5 | -52.8 | -37 | 0 | 0 | 0 | 117.5 | ||||
| 387 | M | 38.6 | Very low | 39 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | 169.4 | 129.4 | 114.8 | -90.7 | -175.5 | 78.9 | 0 | 0 | 111.7 | |||||
| 388 | Y | 38.7 | Very low | 38.8 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 94.1 | 117 | 139.7 | -122.7 | -129.1 | 0 | 0 | 0 | 121.4 | ||||
| 389 | L | 41.6 | Very low | 38.6 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | 81 | 103 | 147.2 | -59.9 | 175.1 | 0 | 0 | 0 | 122.1 | ||||
| 390 | S | 45 | Very low | 38.6 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 34.7 | 112.2 | 113.1 | -53.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 391 | A | 43.7 | Very low | 39 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | -154.6 | 121.6 | 120.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | E393 | A391-E393 PolarHBondContact O-N 3.19Š| |||
| 392 | A | 41.5 | Very low | 39.3 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 124.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L394 | A392-L394 PolarHBondContact O-N 3.45Š| ||
| 393 | E | 43 | Very low | 39.2 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -69 | 107.7 | 168.4 | -64.1 | 173.6 | 161.4 | 0 | 0 | 108.5 | A391 | A391-E393 PolarHBondContact O-N 3.19Š| ||
| 394 | L | 36.4 | Very low | 39.3 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -86.9 | 107.1 | 163.7 | -68.8 | 177.5 | 0 | 0 | 0 | 108.1 | A392 | A392-L394 PolarHBondContact O-N 3.45Š| ||
| 395 | Q | 38.8 | Very low | 39.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -72 | 137.2 | 164.3 | -69.8 | -104.2 | -45.3 | 0 | 0 | 109.2 | ||||
| 396 | P | 39 | Very low | 39.7 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 118.6 | 170.8 | 27.1 | -22.1 | 0 | 0 | 0 | 109.5 | ||||
| 397 | T | 38.2 | Very low | 39.9 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -112.5 | 121.9 | 166.1 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 398 | E | 39.6 | Very low | 39.9 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -69.3 | 169.4 | -178.6 | -57.6 | 175.9 | 142.7 | 0 | 0 | 113 | ||||
| 399 | S | 34 | Very low | 40.2 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | 92.6 | 94.7 | 159.4 | 70.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 400 | L | 39.1 | Very low | 40.2 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 158.8 | 147 | -67.4 | 173.2 | 0 | 0 | 0 | 109.7 | L402 | L400-L402 HydrophobicContact CD1-CD1 4.39Å; L400-L402 HydrophobicContact CD2-CD1 4.18Å | ||
| 401 | P | 41.8 | Very low | 40.2 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | -128 | 131.1 | 97.3 | 1.4 | 19.9 | 0 | 0 | 0 | 114.1 | |||||
| 402 | L | 40.1 | Very low | 39.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 64% | 0.644 | 80% | 0.803 | S | S | * | * | trans | -76.9 | 109 | 163.8 | -126.9 | 89.2 | 0 | 0 | 0 | 107.7 | L400 F404 | L400-L402 HydrophobicContact CD1-CD1 4.39Å; L400-L402 HydrophobicContact CD2-CD1 4.18Å; L402-F404 HydrophobicContact CD2-CD2 3.6Å; L402-F404 HydrophobicContact CD2-CE2 3.66Å; L402-F404 HydrophobicContact CG-CD2 3.87Å; L402-F404 HydrophobicContact CG-CE2 3.79Å | ||
| 403 | E | 39.4 | Very low | 39.9 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -104.6 | 104.2 | 159.1 | -76.7 | -169.2 | 159.4 | 0 | 0 | 107.5 | ||||
| 404 | F | 32.5 | Very low | 40.3 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -106 | 114.7 | 159.6 | -79.8 | -82.6 | 0 | 0 | 0 | 106.9 | L402 D406 | L402-F404 HydrophobicContact CD2-CD2 3.6Å; L402-F404 HydrophobicContact CD2-CE2 3.66Å; L402-F404 HydrophobicContact CG-CD2 3.87Å; L402-F404 HydrophobicContact CG-CE2 3.79Å; F404-D406 PolarHBondContact O-N 3.37Å | ||
| 405 | S | 36.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 115.1 | 166.7 | -26.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 406 | D | 44.9 | Very low | 41 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -60.4 | 130.3 | 152.4 | -80.7 | -40.2 | 0 | 0 | 0 | 108.6 | F404 | F404-D406 PolarHBondContact O-N 3.37Š| ||
| 407 | D | 45.5 | Very low | 41.3 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -178.3 | 89.4 | 152.2 | -91.6 | -23.7 | 0 | 0 | 0 | 108.8 | ||||
| 408 | L | 39.7 | Very low | 41.7 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -152.7 | 85.7 | 153.9 | -76.3 | -171.4 | 0 | 0 | 0 | 110 | V410 | L408-V410 PolarHBondContact O-N 3.36Š| ||
| 409 | D | 43.6 | Very low | 41.7 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 109.5 | 156.7 | -74.4 | -40.1 | 0 | 0 | 0 | 109.1 | ||||
| 410 | V | 41.7 | Very low | 42 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -118.9 | 102.8 | 160.4 | 172.7 | 0 | 0 | 0 | 0 | 107.1 | L408 G412 | L408-V410 PolarHBondContact O-N 3.36Å; V410-G412 VanDerWaalsContact C-N 3.3Å; V410-G412 PolarHBondContact O-N 3.4Å | ||
| 411 | E | 45.7 | Very low | 42.1 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -60.4 | 95 | 163.3 | -66.5 | -175 | 156.7 | 0 | 0 | 108.5 | D413 | E411-D413 PolarHBondContact O-N 2.87Š| ||
| 412 | G | 36.3 | Very low | 42 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -89.2 | 96.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V410 G414 | V410-G412 VanDerWaalsContact C-N 3.3Å; V410-G412 PolarHBondContact O-N 3.4Å; G412-G414 PolarHBondContact O-N 3.26Å | ||
| 413 | D | 42.3 | Very low | 42 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -60.6 | 126.5 | 168.8 | -149 | 4.9 | 0 | 0 | 0 | 109.6 | E411 M415 | E411-D413 PolarHBondContact O-N 2.87Å; D413-M415 PolarHBondContact O-N 2.97Å | ||
| 414 | G | 50.9 | Low | 41.7 | Very low | 62 Ų | 62 | 140.4 Ų | 140.4 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -67.2 | 118 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G412 | G412-G414 PolarHBondContact O-N 3.26Š| ||
| 415 | M | 45.4 | Very low | 41.9 | Very low | 183 Ų | 183 | 138 Ų | 138 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -139 | 86.1 | 159.4 | -76.1 | -63 | -80.1 | 0 | 0 | 110.1 | D413 G417 | D413-M415 PolarHBondContact O-N 2.97Å; M415-G417 PolarHBondContact O-N 2.86Å | ||
| 416 | Q | 46.1 | Very low | 42.3 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 120.6 | 168 | -74.1 | 176 | 16.4 | 0 | 0 | 109.7 | ||
| 417 | G | 44.6 | Very low | 42.2 | Very low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 155.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | M415 | M415-G417 PolarHBondContact O-N 2.86Š|
| 418 | P | 45.4 | Very low | 42 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 144.6 | 180 | 29.3 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 419 | P | 40.8 | Very low | 42.2 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 144.8 | 174.5 | 29.4 | -32.8 | 0 | 0 | 0 | 111.3 | ||
| 420 | S | 39.1 | Very low | 42.1 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 143.4 | 179.2 | -59 | 0 | 0 | 0 | 0 | 112.5 | L422 | S420-L422 PolarHBondContact O-N 2.93Š|
| 421 | P | 42.5 | Very low | 42.3 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -93.5 | 70.7 | -174.3 | 36.3 | -33.2 | 0 | 0 | 0 | 112 | ||
| 422 | L | 39.1 | Very low | 42.3 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -155.2 | 68.1 | 168.5 | -78.3 | -173.6 | 0 | 0 | 0 | 112 | S420 | S420-L422 PolarHBondContact O-N 2.93Š| ||
| 423 | Q | 39.6 | Very low | 42.7 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -143.9 | 91.9 | 153.2 | -69.1 | -170.8 | -26.8 | 0 | 0 | 107.4 | D425 | Q423-D425 PolarHBondContact O-N 3.25Š| ||
| 424 | F | 34.7 | Very low | 43.1 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | -83.1 | 101.6 | 163.5 | -79.9 | -88.1 | 0 | 0 | 0 | 106.7 | T426 | F424-T426 PolarHBondContact O-N 3.44Š| ||
| 425 | D | 36.4 | Very low | 43 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | -81 | 94.6 | 166 | -86.1 | -32.7 | 0 | 0 | 0 | 108.9 | Q423 A427 | Q423-D425 PolarHBondContact O-N 3.25Å; D425-A427 PolarHBondContact O-N 3.12Å; D425-A427 VanDerWaalsContact O-N 3.08Å | ||
| 426 | T | 43.9 | Very low | 43.2 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 71% | 0.712 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 1 | 175.9 | -39.5 | 0 | 0 | 0 | 0 | 113 | F424 | F424-T426 PolarHBondContact O-N 3.44Š|
| 427 | A | 41.9 | Very low | 43.3 | Very low | 75 Ų | 75 | 117.4 Ų | 117.4 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -24.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D425 | D425-A427 PolarHBondContact O-N 3.12Å; D425-A427 VanDerWaalsContact O-N 3.08Å |
| 428 | L | 42.5 | Very low | 43.7 | Very low | 134 Ų | 134 | 121 Ų | 121 | 70% | 0.702 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -86.5 | -11.4 | -176.6 | -85.2 | 160.5 | 0 | 0 | 0 | 114.5 | L430 | L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.29Å |
| 429 | A | 42.7 | Very low | 43.6 | Very low | 55 Ų | 55 | 119.2 Ų | 119.2 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -80.8 | -7.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 430 | L | 42.6 | Very low | 43.7 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 60% | 0.602 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -94.2 | -2.2 | -176.6 | -67.9 | 178.9 | 0 | 0 | 0 | 114.3 | L428 R436 | L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.29Å; L430-R436 PolarHBondContact O-NH2 2.9Å |
| 431 | E | 46.6 | Very low | 43.9 | Very low | 155 Ų | 155 | 119.1 Ų | 119.1 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -94.2 | -11.1 | -179.9 | -67.1 | -175.6 | 173.7 | 0 | 0 | 113.6 | Q433 | E431-Q433 PolarHBondContact O-N 3.37Š|
| 432 | D | 45.5 | Very low | 43.5 | Very low | 93 Ų | 93 | 119 Ų | 119 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | trans | -84.4 | 106 | -179.2 | -131.4 | -17.4 | 0 | 0 | 0 | 110.7 | T434 I435 | D432-T434 PolarHBondContact O-N 2.88Å; D432-I435 HydrophobicContact CB-CD1 3.74Å; D432-I435 HydrophobicContact CB-CG1 3.99Å; D432-I435 PolarHBondContact O-N 2.98Å | ||
| 433 | Q | 44.7 | Very low | 43.4 | Very low | 166 Ų | 166 | 119.5 Ų | 119.5 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.3 | -20 | -179.2 | -86.9 | 168.8 | -12.8 | 0 | 0 | 113.7 | E431 | E431-Q433 PolarHBondContact O-N 3.37Å |
| 434 | T | 50.9 | Low | 43.1 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 55% | 0.546 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.4 | -29.3 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | D432 | D432-T434 PolarHBondContact O-N 2.88Å |
| 435 | I | 49 | Very low | 43.1 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 45% | 0.446 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -81.1 | -34.1 | -176.2 | -61.5 | 175.2 | 0 | 0 | 0 | 111.2 | D432 A437 I438 A439 | D432-I435 HydrophobicContact CB-CD1 3.74Å; D432-I435 HydrophobicContact CB-CG1 3.99Å; D432-I435 PolarHBondContact O-N 2.98Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.05Å; I435-I438 PolarHBondContact O-N 3.45Å; I435-A439 PolarHBondContact O-N 3.32Å |
| 436 | R | 48.3 | Very low | 42.9 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 52% | 0.521 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | 173.4 | -73.3 | -175.4 | -159.6 | 159.4 | 5.3 | 112.6 | L430 I438 A439 E440 | L430-R436 PolarHBondContact O-NH2 2.9Å; R436-I438 VanDerWaalsContact C-N 3.26Å; R436-I438 PolarHBondContact O-N 3.3Å; R436-A439 PolarHBondContact O-N 3.17Å; R436-E440 PolarHBondContact O-N 3.34Å |
| 437 | A | 48.8 | Very low | 42.3 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 55% | 0.554 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.9 | -27.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I435 | I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.05Å |
| 438 | I | 53.6 | Low | 41.8 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.3 | -32.5 | 178.2 | -61 | 168.8 | 0 | 0 | 0 | 110.8 | I435 R436 | I435-I438 PolarHBondContact O-N 3.45Å; R436-I438 VanDerWaalsContact C-N 3.26Å; R436-I438 PolarHBondContact O-N 3.3Å |
| 439 | A | 43.3 | Very low | 41.2 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.2 | -21.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I435 R436 | I435-A439 PolarHBondContact O-N 3.32Å; R436-A439 PolarHBondContact O-N 3.17Å |
| 440 | E | 43.1 | Very low | 40.9 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 1 | -178.2 | -71.1 | 177.8 | 177.7 | 0 | 0 | 114.3 | R436 | R436-E440 PolarHBondContact O-N 3.34Š|
| 441 | A | 42.2 | Very low | 40.7 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 52% | 0.521 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -76 | 126 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M443 | A441-M443 PolarHBondContact O-N 3.42Š|
| 442 | P | 34.9 | Very low | 39.9 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -70.1 | 128.4 | 180 | 26.6 | -31 | 0 | 0 | 0 | 111 | D444 | P442-D444 PolarHBondContact O-N 3.25Š| ||
| 443 | M | 35.8 | Very low | 39.8 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | trans | -82.8 | 101.2 | 174.2 | -72.8 | -79.8 | -67.4 | 0 | 0 | 109.8 | A441 I445 | A441-M443 PolarHBondContact O-N 3.42Å; M443-I445 HydrophobicContact CE-CD1 4.35Å | ||
| 444 | D | 33.3 | Very low | 39 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -97.1 | 115.5 | 166.9 | -83.7 | -29.4 | 0 | 0 | 0 | 110.4 | P442 | P442-D444 PolarHBondContact O-N 3.25Š| ||
| 445 | I | 34.3 | Very low | 38 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | trans | -110.7 | 127.2 | 173 | -60.4 | 170.1 | 0 | 0 | 0 | 107.3 | M443 | M443-I445 HydrophobicContact CE-CD1 4.35Š| ||
| 446 | L | 33.5 | Very low | 37.3 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | 93.5 | 97.2 | 165 | -50.5 | -177.6 | 0 | 0 | 0 | 119.2 | ||||
| 447 | T | 30.2 | Very low | 36.3 | Very low | 148 Ų | 148 | 133 Ų | 133 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | trans | -175.9 | 111.2 | 133.4 | 26 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 448 | G | 33 | Very low | 35.6 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | 89.5 | 97.3 | 59.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 449 | E | 29.9 | Very low | 34.3 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | 155.8 | 115.7 | 148.5 | -85.2 | 172.6 | 133.1 | 0 | 0 | 111.9 | ||||
| 450 | D | 36.3 | Very low | 33.6 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 151.5 | 163.7 | -69.4 | -63.6 | 0 | 0 | 0 | 110.6 | ||||
| 451 | P | 37.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -141 | 159 | 122.6 | 33.2 | -16.9 | 0 | 0 | 0 | 116 | |||||
| 452 | D | 29.3 | Very low | 32.3 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -49.2 | 166.1 | -174.2 | -86.6 | -54.2 | 0 | 0 | 0 | 120.1 | ||||
| 453 | P | 42.6 | Very low | 32.1 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -91.6 | 137.8 | -176 | 36.5 | -30.3 | 0 | 0 | 0 | 112.5 | ||||
| 454 | D | 27.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 175.1 | 150.1 | 141.9 | -94.2 | -24 | 0 | 0 | 0 | 111.6 | ||||
| 455 | Q | 31.9 | Very low | 31.6 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 93.9 | 94.2 | 172.7 | -56.7 | -178.8 | 33.4 | 0 | 0 | 115.5 | ||||
| 456 | V | 32.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | 73.1 | 137.9 | 70.5 | -53.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 457 | D | 28.2 | Very low | 31.5 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 88.8 | 142.3 | 169.8 | -55.4 | -23.8 | 0 | 0 | 0 | 118.3 | ||||
| 458 | L | 33.1 | Very low | 31.9 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | cis | -170.9 | 156.2 | -36.7 | -140.2 | 85.6 | 0 | 0 | 0 | 103.6 | ||||
| 459 | D | 27.8 | Very low | 31.7 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 78.4 | 104.8 | 158 | -55.6 | -26.8 | 0 | 0 | 0 | 120.5 | ||||
| 460 | T | 28.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | -160 | 101.2 | 116.4 | 10.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 461 | S | 31.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 28.5 | 117.9 | 146.6 | 58.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 462 | G | 26.5 | Very low | 31.7 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -71.5 | 165.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 463 | H | 30.4 | Very low | 32.1 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -133.8 | 103.6 | 154.5 | -149.9 | -62.2 | 0 | 0 | 0 | 107.3 | ||||
| 464 | E | 30.2 | Very low | 31.9 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 130.8 | 163.8 | -58.6 | -153.7 | 123.3 | 0 | 0 | 108.1 | ||||
| 465 | L | 29 | Very low | 32.4 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -130.9 | 123 | 156.9 | -74.5 | 178.7 | 0 | 0 | 0 | 108.3 | ||||
| 466 | S | 30.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -61.8 | 145.1 | -170.3 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | R468 | S466-R468 PolarHBondContact O-N 3.45Š| ||
| 467 | E | 34.8 | Very low | 32.6 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -57.4 | 107.8 | 155.1 | -63.1 | 174.6 | 128.9 | 0 | 0 | 110.2 | ||||
| 468 | R | 37.7 | Very low | 33.1 | Very low | 225 Ų | 225 | 150.9 Ų | 150.9 | 85% | 0.849 | 82% | 0.822 | S | S | * | * | trans | -169.2 | 145.4 | 154.8 | -100.2 | 154.6 | -166 | -168.7 | 4.4 | 108.1 | S466 | S466-R468 PolarHBondContact O-N 3.45Š| ||
| 469 | D | 30 | Very low | 33 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | 89.9 | 58.3 | -176.8 | -51.2 | -15.3 | 0 | 0 | 0 | 115.4 | ||||
| 470 | V | 36.9 | Very low | 33.2 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | trans | -86.2 | 139.7 | 140.8 | -86.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 471 | D | 32.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | trans | 95.1 | 74.8 | 173.1 | -55.7 | -33.8 | 0 | 0 | 0 | 117.6 | ||||
| 472 | A | 34 | Very low | 33.4 | Very low | 92 Ų | 92 | 153.4 Ų | 153.4 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | trans | -154.7 | 148 | 144.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 473 | I | 37.1 | Very low | 33.4 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | S | Bend | trans | 87.6 | 54.3 | 178.1 | -36.6 | 164.5 | 0 | 0 | 0 | 114.7 | ||
| 474 | M | 39.2 | Very low | 33.3 | Very low | 177 Ų | 177 | 150 Ų | 150 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -132.3 | 22.7 | 156.6 | -86.3 | -118.2 | 72 | 0 | 0 | 112.6 | ||
| 475 | D | 36.8 | Very low | 33.3 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | trans | -138.8 | 81.9 | 174.9 | -79.9 | -59.4 | 0 | 0 | 0 | 110.2 | ||||
| 476 | D | 35.6 | Very low | 33.6 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 85% | 0.845 | 85% | 0.854 | S | S | * | * | trans | -157.5 | 75.1 | 157.6 | -156 | 51.5 | 0 | 0 | 0 | 109.7 | ||||
| 477 | Q | 34.1 | Very low | 33.8 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -172.3 | 44.4 | 157.2 | -112 | 173.5 | 33.8 | 0 | 0 | 114.3 | ||
| 478 | V | 37.6 | Very low | 33.7 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 84% | 0.842 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -149.5 | 97.7 | 154.7 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | ||
| 479 | V | 32.7 | Very low | 33.4 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 87% | 0.873 | 86% | 0.855 | S | S | * | * | trans | 173.7 | 95.9 | 140.1 | 176.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 480 | S | 31.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -164.5 | 71.1 | 156.2 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 481 | D | 33.1 | Very low | 33.2 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 85% | 0.85 | S | S | * | * | trans | -165.2 | 126 | 138.4 | -137.7 | -4.2 | 0 | 0 | 0 | 109.4 | ||||
| 482 | V | 30.7 | Very low | 33.1 | Very low | 150 Ų | 150 | 140 Ų | 140 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | 140.7 | 105.3 | 169.8 | 164.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 483 | G | 27.2 | Very low | 33.1 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | trans | 157.5 | 88.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 484 | G | 27.8 | Very low | 32.9 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | 152.9 | 117.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 485 | G | 29.4 | Very low | 32.8 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | cis | 173.8 | 133.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 486 | E | 35.2 | Very low | 32.6 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 97% | 0.972 | 82% | 0.823 | S | S | * | * | trans | -76.6 | 139.5 | 178.8 | -62.6 | 167.1 | 128.3 | 0 | 0 | 110.1 | ||||
| 487 | E | 35.1 | Very low | 32.6 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | trans | -148.2 | 152.1 | 142.8 | 61.7 | -173.3 | 146.9 | 0 | 0 | 111 | ||||
| 488 | D | 32.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -112.9 | 146.6 | -143.8 | -179.5 | 17.5 | 0 | 0 | 0 | 110 | ||||
| 489 | A | 31.3 | Very low | 32.5 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | trans | -178.2 | 98.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 490 | T | 33.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | 51 | 111.6 | 126.5 | 63.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 491 | D | 31.1 | Very low | 33 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | 73.3 | 146.9 | 112 | -154.8 | 31.1 | 0 | 0 | 0 | 122.3 | |||||
| 492 | S | 29.5 | Very low | 33.2 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | 106.1 | 129.8 | 156.1 | -76.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 493 | S | 34.4 | Very low | 33.7 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -105.8 | 154.8 | -171.5 | 179.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 494 | A | 34.1 | Very low | 34.2 | Very low | 77 Ų | 77 | 128 Ų | 128 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | 80.1 | 129 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 495 | Q | 35.4 | Very low | 35.9 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 97.7 | 120.6 | 134.8 | -79.2 | 169.5 | 6.6 | 0 | 0 | 122.3 | ||||
| 496 | D | 33.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | trans | 66.8 | 119.9 | 133.7 | -61.7 | -32.5 | 0 | 0 | 0 | 121.4 | ||||
| 497 | L | 36.4 | Very low | 36.7 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | 168.4 | 144.4 | 95.9 | -83.3 | 179.5 | 0 | 0 | 0 | 113 | |||||
| 498 | D | 33.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -41.6 | 158.3 | 171.9 | -83.4 | -55.4 | 0 | 0 | 0 | 117.8 | ||||
| 499 | L | 35.8 | Very low | 37 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | -172.6 | 126 | 117.5 | -96.2 | 166.9 | 0 | 0 | 0 | 114.7 | |||||
| 500 | A | 35.2 | Very low | 37.4 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | 82.2 | 111.4 | 134 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 501 | A | 39.1 | Very low | 37.6 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -68.3 | 154.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 502 | G | 37.6 | Very low | 38.1 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -144 | 135.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 503 | D | 40.3 | Very low | 38.7 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -77 | 168.9 | -153.8 | -141.5 | -20.6 | 0 | 0 | 0 | 116.5 | ||||
| 504 | A | 38.3 | Very low | 39 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 82% | 0.817 | S | S | * | * | trans | -65.5 | -160.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 505 | P | 64.4 | Low | 39.4 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | cis | -140.7 | 159.3 | -3.8 | 38.7 | -19.3 | 0 | 0 | 0 | 116.5 | ||||
| 506 | R | 43.6 | Very low | 39.8 | Very low | 319 Ų | 319 | 142.5 Ų | 142.5 | 100% | 1.204 | 84% | 0.835 | S | S | * | * | -176 | 0 | 120.2 | -107.1 | -173.3 | -179.1 | -168.9 | 1.2 | 111.9 |
Retrieved 506 of 506 residues in 650.8 ms
(Link to these results)