| 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 | 33.7 | Very low | 35.1 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 100% | 1.167 | 85% | 0.853 | S | S | * | * | 0 | 80.2 | 0 | -154.3 | 151 | 165.6 | 0 | 0 | 107.4 | |||||
| 2 | S | 34.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | trans | -104 | 95.8 | -174.9 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | L | 36.8 | Very low | 34.6 | Very low | 159 Ų | 159 | 156.1 Ų | 156.1 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | -135.6 | 44.7 | -172.9 | -114.8 | 172.6 | 0 | 0 | 0 | 111.7 | ||||
| 4 | Q | 38.4 | Very low | 34.6 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | trans | -145.6 | 26.7 | -174.9 | -126 | 171.8 | 38.1 | 0 | 0 | 117.5 | ||||
| 5 | D | 35.6 | Very low | 34.4 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -126.4 | 16.3 | 176.8 | -95.3 | -30 | 0 | 0 | 0 | 116.3 | ||
| 6 | N | 31.1 | Very low | 34.2 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | trans | -103.6 | 12.4 | 175.7 | -84.5 | -8 | 0 | 0 | 0 | 115.3 | S8 | N6-S8 PolarHBondContact O-N 3.08Š| ||
| 7 | C | 34.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 159.1 Ų | 159.1 | 95% | 0.953 | 84% | 0.843 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 38.3 | 173.5 | -150.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 8 | S | 35.9 | Very low | 34.8 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | -0.2 | -178.7 | 63.5 | 0 | 0 | 0 | 0 | 116.3 | N6 | N6-S8 PolarHBondContact O-N 3.08Š|
| 9 | V | 38.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -135.8 | -5.5 | -176.8 | -169.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 10 | Q | 32.3 | Very low | 35.2 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -123 | 78.3 | -178.3 | -79.6 | -171.7 | 0.3 | 0 | 0 | 114 | ||||
| 11 | E | 34.4 | Very low | 35.6 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 44.1 | 139.1 | -122.2 | -178.3 | -178.3 | 0 | 0 | 110.5 | ||||
| 12 | V | 34.9 | Very low | 36.1 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -108.1 | 51.6 | 158.4 | -170 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 13 | K | 28.2 | Very low | 36.4 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -132.7 | 112.1 | 167.6 | -97.2 | -176.3 | 175.6 | 179.7 | 0 | 108.9 | ||
| 14 | T | 35 | Very low | 36.9 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | 62 | 80.3 | 151.7 | 62.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 15 | S | 31.8 | Very low | 37.2 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | trans | -134.9 | 140.7 | 142.5 | -163.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 16 | H | 30.6 | Very low | 37.7 | Very low | 173 Ų | 173 | 120.1 Ų | 120.1 | 80% | 0.801 | 66% | 0.661 | S | S | * | * | trans | -56.6 | 134.3 | -159.7 | -81.3 | -105.2 | 0 | 0 | 0 | 114.5 | G18 | H16-G18 PolarHBondContact O-N 3.46Š| ||
| 17 | R | 36.9 | Very low | 38.4 | Very low | 258 Ų | 258 | 115.4 Ų | 115.4 | 97% | 0.974 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 0.9 | 85.2 | 144.4 | -156.5 | 179.5 | -162.9 | -178.4 | 4 | 114.4 | ||
| 18 | G | 42.2 | Very low | 39 | Very low | 63 Ų | 63 | 112.4 Ų | 112.4 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.7 | -46.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.3 | H16 | H16-G18 PolarHBondContact O-N 3.46Š|
| 19 | D | 37.9 | Very low | 39.4 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 47% | 0.465 | 63% | 0.629 | S | S | . | * | trans | -127.3 | 94.5 | -167.3 | -60 | -36.4 | 0 | 0 | 0 | 111.2 | F21 V32 | D19-F21 HydrophobicContact CB-CD2 3.95Å; D19-F21 HydrophobicContact CB-CE1 3.94Å; D19-F21 HydrophobicContact CB-CE2 3.24Å; D19-F21 HydrophobicContact CB-CZ 3.24Å; D19-F21 WeakPolarHBondContact O-CD2 3.41Å; D19-F21 WeakPolarHBondContact O-CE2 3.32Å; D19-F21 PolarHBondContact O-N 3.49Å; D19-V32 HydrophobicContact CB-CG2 4.34Å; D19-V32 WeakPolarHBondContact OD1-CG2 3.22Å | ||
| 20 | C | 41.5 | Very low | 40.1 | Very low | 68 Ų | 68 | 114.6 Ų | 114.6 | 46% | 0.459 | 61% | 0.607 | S | S | . | * | trans | -70.5 | 108.1 | 166.7 | -158.2 | 0 | 0 | 0 | 0 | 106.9 | L31 M35 | C20-L31 WeakPolarHBondContact O-CB 3.22Å; C20-L31 WeakPolarHBondContact O-CD2 3.38Å; C20-M35 HydrophobicContact CB-SD 4.25Å | ||
| 21 | F | 41.9 | Very low | 41.2 | Very low | 101 Ų | 101 | 107.2 Ų | 107.2 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | trans | -97.5 | 126.7 | 177.8 | -61.4 | -80.6 | 0 | 0 | 0 | 109.7 | D19 R29 | D19-F21 HydrophobicContact CB-CD2 3.95Å; D19-F21 HydrophobicContact CB-CE1 3.94Å; D19-F21 HydrophobicContact CB-CE2 3.24Å; D19-F21 HydrophobicContact CB-CZ 3.24Å; D19-F21 WeakPolarHBondContact O-CD2 3.41Å; D19-F21 WeakPolarHBondContact O-CE2 3.32Å; D19-F21 PolarHBondContact O-N 3.49Å; F21-R29 HydrophobicContact CD1-CB 4.46Å | ||
| 22 | L | 45.7 | Very low | 42 | Very low | 35 Ų | 35 | 101.9 Ų | 101.9 | 18% | 0.183 | 55% | 0.552 | C | S | . | * | trans | -96.8 | 113.6 | 167.9 | -158.5 | 153.7 | 0 | 0 | 0 | 104.4 | L24 L31 L108 | L22-L24 HydrophobicContact CD2-CD1 3.88Å; L22-L24 HydrophobicContact CD2-CG 4.45Å; L22-L24 PolarHBondContact O-N 3.19Å; L22-L24 VanDerWaalsContact O-N 3.08Å; L22-L31 HydrophobicContact CB-CD1 3.1Å; L22-L31 HydrophobicContact CB-CD2 3.6Å; L22-L31 HydrophobicContact CB-CG 3.93Å; L22-L31 HydrophobicContact CD1-CD1 4.31Å; L22-L31 HydrophobicContact CG-CD1 4.24Å; L22-L108 HydrophobicContact CD1-CB 3.98Å; L22-L108 HydrophobicContact CD1-CD2 3.88Å; L22-L108 WeakPolarHBondContact CD1-O 3.46Å | ||
| 23 | L | 40.7 | Very low | 43.1 | Very low | 142 Ų | 142 | 103.2 Ų | 103.2 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | trans | -66.7 | 105.8 | 167.2 | -109.1 | 84.8 | 0 | 0 | 0 | 107.5 | ||||
| 24 | L | 47.8 | Very low | 44.9 | Very low | 21 Ų | 21 | 98.1 Ų | 98.1 | 11% | 0.11 | 52% | 0.523 | C | S | . | . | trans | -68.2 | 149.5 | 159.5 | -85.1 | 80.2 | 0 | 0 | 0 | 108.4 | L22 S26 G27 P184 | L22-L24 HydrophobicContact CD2-CD1 3.88Å; L22-L24 HydrophobicContact CD2-CG 4.45Å; L22-L24 PolarHBondContact O-N 3.19Å; L22-L24 VanDerWaalsContact O-N 3.08Å; L24-S26 WeakPolarHBondContact CB-OG 3.43Å; L24-S26 PolarHBondContact O-N 3.18Å; L24-G27 PolarHBondContact O-N 3.26Å; L24-P184 HydrophobicContact CD2-CB 3.38Å | ||
| 25 | P | 43.1 | Very low | 46.4 | Very low | 98 Ų | 98 | 93.7 Ų | 93.7 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -9.7 | 172.8 | 24 | -32.8 | 0 | 0 | 0 | 113.6 | ||
| 26 | S | 48 | Very low | 48.6 | Very low | 58 Ų | 58 | 93.7 Ų | 93.7 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.1 | 172.1 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | L24 E28 | L24-S26 WeakPolarHBondContact CB-OG 3.43Å; L24-S26 PolarHBondContact O-N 3.18Å; S26-E28 PolarHBondContact O-N 3.48Å |
| 27 | G | 45.4 | Very low | 50.9 | Low | 59 Ų | 59 | 86.4 Ų | 86.4 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | trans | 74.7 | 3.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L24 | L24-G27 PolarHBondContact O-N 3.26Š| ||
| 28 | E | 45.9 | Very low | 53.1 | Low | 78 Ų | 78 | 74.6 Ų | 74.6 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | trans | -85.4 | 118.5 | -174.4 | -137.8 | 178.3 | -175.4 | 0 | 0 | 111.5 | S26 V30 | S26-E28 PolarHBondContact O-N 3.48Å; E28-V30 VanDerWaalsContact C-N 3.35Å; E28-V30 HydrophobicContact CB-CG2 3.83Å; E28-V30 HydrophobicContact CG-CG2 3.61Å; E28-V30 PolarHBondContact O-N 3.18Å | ||
| 29 | R | 46.1 | Very low | 55.1 | Low | 217 Ų | 217 | 77.1 Ų | 77.1 | 82% | 0.819 | 41% | 0.408 | S | S | * | . | trans | -77.9 | 78.1 | 177.9 | -63.2 | -176.8 | -169.4 | 177 | 3.2 | 110.6 | F21 | F21-R29 HydrophobicContact CD1-CB 4.46Š| ||
| 30 | V | 52.8 | Low | 57.5 | Low | 48 Ų | 48 | 78 Ų | 78 | 29% | 0.291 | 41% | 0.412 | S | S | . | . | trans | -125.2 | 72.2 | -176.1 | -153.1 | 0 | 0 | 0 | 0 | 110.9 | E28 Y34 | E28-V30 VanDerWaalsContact C-N 3.35Å; E28-V30 HydrophobicContact CB-CG2 3.83Å; E28-V30 HydrophobicContact CG-CG2 3.61Å; E28-V30 PolarHBondContact O-N 3.18Å; V30-Y34 HydrophobicContact CB-CD2 4.31Å; V30-Y34 HydrophobicContact CB-CE2 4.15Å; V30-Y34 HydrophobicContact CG1-CD2 3.43Å; V30-Y34 VanDerWaalsContact CG1-CD2 3.43Å; V30-Y34 HydrophobicContact CG1-CE2 3Å | ||
| 31 | L | 54.2 | Low | 59.7 | Low | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | trans | -118.6 | -50 | -173.9 | -131.5 | 83.2 | 0 | 0 | 0 | 119.2 | C20 L22 K33 Y34 M35 L108 | C20-L31 WeakPolarHBondContact O-CB 3.22Å; C20-L31 WeakPolarHBondContact O-CD2 3.38Å; L22-L31 HydrophobicContact CB-CD1 3.1Å; L22-L31 HydrophobicContact CB-CD2 3.6Å; L22-L31 HydrophobicContact CB-CG 3.93Å; L22-L31 HydrophobicContact CD1-CD1 4.31Å; L22-L31 HydrophobicContact CG-CD1 4.24Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.37Å; L31-Y34 PolarHBondContact O-N 3.37Å; L31-M35 HydrophobicContact CD2-CG 3.86Å; L31-M35 HydrophobicContact CD2-SD 3.51Å; L31-M35 VanDerWaalsContact CD2-SD 3.51Å; L31-M35 HydrophobicContact CG-CG 4.05Å; L31-M35 HydrophobicContact CG-SD 4.25Å; L31-M35 WeakPolarHBondContact O-CG 3.12Å; L31-M35 PolarHBondContact O-N 3.29Å; L31-L108 HydrophobicContact CD2-CD2 3.82Å | ||
| 32 | V | 52.2 | Low | 61.8 | Low | 64 Ų | 64 | 70.4 Ų | 70.4 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | -168.2 | -177.8 | 0 | 0 | 0 | 0 | 112 | D19 Y34 N36 | D19-V32 HydrophobicContact CB-CG2 4.34Å; D19-V32 WeakPolarHBondContact OD1-CG2 3.22Å; V32-Y34 VanDerWaalsContact C-N 3.32Å; V32-Y34 PolarHBondContact O-N 3.42Å; V32-N36 PolarHBondContact O-N 3.41Å |
| 33 | K | 58.1 | Low | 63.9 | Low | 170 Ų | 170 | 75.3 Ų | 75.3 | 74% | 0.739 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.5 | -30.7 | 178.3 | -160.2 | 174.3 | -178.6 | -176.6 | 0 | 112.9 | L31 G37 | L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.37Å; K33-G37 PolarHBondContact O-N 3.25Å |
| 34 | Y | 66.1 | Low | 66.3 | Low | 58 Ų | 58 | 70 Ų | 70 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -80.7 | -32.1 | -178.8 | -77.2 | -106.6 | 0 | 0 | 0 | 112.3 | V30 L31 V32 L38 L180 Y181 | V30-Y34 HydrophobicContact CB-CD2 4.31Å; V30-Y34 HydrophobicContact CB-CE2 4.15Å; V30-Y34 HydrophobicContact CG1-CD2 3.43Å; V30-Y34 VanDerWaalsContact CG1-CD2 3.43Å; V30-Y34 HydrophobicContact CG1-CE2 3Å; L31-Y34 PolarHBondContact O-N 3.37Å; V32-Y34 VanDerWaalsContact C-N 3.32Å; V32-Y34 PolarHBondContact O-N 3.42Å; Y34-L38 WeakPolarHBondContact O-CB 2.99Å; Y34-L38 PolarHBondContact O-N 2.95Å; Y34-L180 HydrophobicContact CD1-CD1 4.45Å; Y34-L180 HydrophobicContact CD1-CD2 4.25Å; Y34-L180 HydrophobicContact CD1-CG 3.94Å; Y34-L180 HydrophobicContact CE1-CD1 3.95Å; Y34-L180 HydrophobicContact CE1-CD2 4.49Å; Y34-L180 HydrophobicContact CE1-CG 3.72Å; Y34-L180 WeakPolarHBondContact CE1-O 3.29Å; Y34-Y181 HydrophobicContact CD1-CD1 4.43Å; Y34-Y181 AromaticContact CD1-CE1 3.89Å; Y34-Y181 HydrophobicContact CD1-CE1 3.89Å; Y34-Y181 PolarHBondContact O-OH 3.11Å; Y34-Y181 VanDerWaalsContact O-OH 3.11Å |
| 35 | M | 66.1 | Low | 68.3 | Low | 47 Ų | 47 | 69 Ų | 69 | 23% | 0.232 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.8 | -48.6 | 175.9 | -72.3 | -173.9 | 76.5 | 0 | 0 | 111.7 | C20 L31 G37 L38 Q39 I105 L108 | C20-M35 HydrophobicContact CB-SD 4.25Å; L31-M35 HydrophobicContact CD2-CG 3.86Å; L31-M35 HydrophobicContact CD2-SD 3.51Å; L31-M35 VanDerWaalsContact CD2-SD 3.51Å; L31-M35 HydrophobicContact CG-CG 4.05Å; L31-M35 HydrophobicContact CG-SD 4.25Å; L31-M35 WeakPolarHBondContact O-CG 3.12Å; L31-M35 PolarHBondContact O-N 3.29Å; M35-G37 VanDerWaalsContact C-N 3.3Å; M35-G37 PolarHBondContact O-N 3.27Å; M35-L38 PolarHBondContact O-N 3.28Å; M35-L38 VanDerWaalsContact O-N 3.17Å; M35-Q39 PolarHBondContact O-N 3.41Å; M35-I105 HydrophobicContact CE-CG2 4.16Å; M35-L108 HydrophobicContact CE-CD2 3.97Å; M35-L108 HydrophobicContact SD-CD2 4.18Å |
| 36 | N | 76.8 | Confident | 70.5 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 177.2 | -69.6 | -3.7 | 0 | 0 | 0 | 110.9 | V32 Q39 I40 | V32-N36 PolarHBondContact O-N 3.41Å; N36-Q39 PolarHBondContact O-N 2.92Å; N36-I40 PolarHBondContact O-N 3.36Å |
| 37 | G | 80.1 | Confident | 72.6 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K33 M35 Q39 I40 L41 | K33-G37 PolarHBondContact O-N 3.25Å; M35-G37 VanDerWaalsContact C-N 3.3Å; M35-G37 PolarHBondContact O-N 3.27Å; G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 3.3Å; G37-I40 WeakPolarHBondContact O-CG2 3.48Å; G37-L41 WeakPolarHBondContact O-CB 3.43Å; G37-L41 PolarHBondContact O-N 2.92Å |
| 38 | L | 81.8 | Confident | 74.7 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 179.2 | -163.7 | 52.3 | 0 | 0 | 0 | 112 | Y34 M35 L41 G42 A101 T104 I105 F116 Y181 | Y34-L38 WeakPolarHBondContact O-CB 2.99Å; Y34-L38 PolarHBondContact O-N 2.95Å; M35-L38 PolarHBondContact O-N 3.28Å; M35-L38 VanDerWaalsContact O-N 3.17Å; L38-L41 HydrophobicContact CD1-CD2 4.1Å; L38-G42 PolarHBondContact O-N 3.38Å; L38-A101 HydrophobicContact CD1-CB 3.98Å; L38-A101 HydrophobicContact CG-CB 4.46Å; L38-T104 HydrophobicContact CD2-CG2 4.02Å; L38-I105 HydrophobicContact CB-CD1 3.99Å; L38-I105 HydrophobicContact CB-CG1 3.84Å; L38-I105 HydrophobicContact CD2-CD1 4.44Å; L38-I105 HydrophobicContact CD2-CG1 3.55Å; L38-I105 HydrophobicContact CG-CD1 3.95Å; L38-I105 HydrophobicContact CG-CG1 3.61Å; L38-F116 HydrophobicContact CD1-CD1 4.42Å; L38-F116 HydrophobicContact CD1-CE1 3.95Å; L38-F116 HydrophobicContact CD1-CZ 4.22Å; L38-Y181 VanDerWaalsContact CB-OH 3.25Å; L38-Y181 WeakPolarHBondContact CB-OH 3.39Å; L38-Y181 HydrophobicContact CD1-CE2 3.84Å; L38-Y181 WeakPolarHBondContact CD1-OH 3.42Å |
| 39 | Q | 85.2 | Confident | 76.8 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.2 | -49.8 | 179.1 | -168.9 | 177.6 | 1.6 | 0 | 0 | 111.6 | M35 N36 G37 L41 G42 F43 I105 | M35-Q39 PolarHBondContact O-N 3.41Å; N36-Q39 PolarHBondContact O-N 2.92Å; G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 3.3Å; Q39-L41 VanDerWaalsContact C-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.17Å; Q39-G42 PolarHBondContact O-N 3.02Å; Q39-F43 WeakPolarHBondContact O-CB 3.37Å; Q39-F43 PolarHBondContact O-N 2.83Å; Q39-I105 VanDerWaalsContact CA-CD1 3.41Å; Q39-I105 HydrophobicContact CB-CD1 3.82Å; Q39-I105 HydrophobicContact CG-CD1 4.36Å |
| 40 | I | 87.4 | Confident | 79 | Confident | 107 Ų | 107 | 59.7 Ų | 59.7 | 55% | 0.549 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 177.5 | -171.7 | 61.7 | 0 | 0 | 0 | 111.1 | N36 G37 S44 | N36-I40 PolarHBondContact O-N 3.36Å; G37-I40 WeakPolarHBondContact O-CG2 3.48Å; I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.41Å; I40-S44 PolarHBondContact O-N 3.18Å; I40-S44 PolarHBondContact O-OG 3.08Å |
| 41 | L | 87.6 | Confident | 80.8 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 177.7 | -170.5 | 116.5 | 0 | 0 | 0 | 111.4 | G37 L38 Q39 S44 F45 F116 P173 T176 Y181 | G37-L41 WeakPolarHBondContact O-CB 3.43Å; G37-L41 PolarHBondContact O-N 2.92Å; L38-L41 HydrophobicContact CD1-CD2 4.1Å; Q39-L41 VanDerWaalsContact C-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.17Å; L41-S44 PolarHBondContact O-N 3.47Å; L41-F45 HydrophobicContact CD1-CE2 4.32Å; L41-F45 HydrophobicContact CD2-CD2 3.94Å; L41-F45 HydrophobicContact CD2-CE2 3.54Å; L41-F45 HydrophobicContact CG-CD2 3.91Å; L41-F45 HydrophobicContact CG-CE2 3.62Å; L41-F45 WeakPolarHBondContact O-CD2 3.25Å; L41-F45 PolarHBondContact O-N 3.24Å; L41-F116 HydrophobicContact CD2-CE1 4.06Å; L41-F116 HydrophobicContact CD2-CE2 4.45Å; L41-F116 HydrophobicContact CD2-CZ 3.46Å; L41-F116 VanDerWaalsContact CD2-CZ 3.46Å; L41-P173 HydrophobicContact CD1-CB 4.48Å; L41-P173 WeakPolarHBondContact CD1-O 3.44Å; L41-T176 HydrophobicContact CD1-CG2 4.21Å; L41-Y181 HydrophobicContact CD2-CE2 4.47Å |
| 42 | G | 87.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L38 Q39 F45 A46 | L38-G42 PolarHBondContact O-N 3.38Å; Q39-G42 PolarHBondContact O-N 3.02Å; G42-F45 PolarHBondContact O-N 3.38Å; G42-A46 WeakPolarHBondContact O-CB 3.38Å; G42-A46 PolarHBondContact O-N 3.17Å |
| 43 | F | 89.9 | Confident | 84.2 | Confident | 137 Ų | 137 | 56.3 Ų | 56.3 | 60% | 0.601 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 174.7 | -172.9 | -96.6 | 0 | 0 | 0 | 112 | Q39 F45 A46 F47 | Q39-F43 WeakPolarHBondContact O-CB 3.37Å; Q39-F43 PolarHBondContact O-N 2.83Å; F43-F45 VanDerWaalsContact C-N 3.34Å; F43-F45 PolarHBondContact O-N 3.01Å; F43-A46 PolarHBondContact O-N 3.47Å; F43-F47 PolarHBondContact O-N 2.86Å |
| 44 | S | 89.6 | Confident | 85.6 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I40 L41 F47 F48 | I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.41Å; I40-S44 PolarHBondContact O-N 3.18Å; I40-S44 PolarHBondContact O-OG 3.08Å; L41-S44 PolarHBondContact O-N 3.47Å; S44-F47 PolarHBondContact O-N 3.18Å; S44-F48 WeakPolarHBondContact O-CB 3.21Å; S44-F48 WeakPolarHBondContact O-CD2 3.08Å; S44-F48 PolarHBondContact O-N 3.45Å |
| 45 | F | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.5 | -81.8 | -58 | 0 | 0 | 0 | 113.1 | L41 G42 F43 F47 G49 V94 F116 L120 P173 C174 | L41-F45 HydrophobicContact CD1-CE2 4.32Å; L41-F45 HydrophobicContact CD2-CD2 3.94Å; L41-F45 HydrophobicContact CD2-CE2 3.54Å; L41-F45 HydrophobicContact CG-CD2 3.91Å; L41-F45 HydrophobicContact CG-CE2 3.62Å; L41-F45 WeakPolarHBondContact O-CD2 3.25Å; L41-F45 PolarHBondContact O-N 3.24Å; G42-F45 PolarHBondContact O-N 3.38Å; F43-F45 VanDerWaalsContact C-N 3.34Å; F43-F45 PolarHBondContact O-N 3.01Å; F45-F47 VanDerWaalsContact C-N 3.31Å; F45-F47 PolarHBondContact O-N 3.05Å; F45-G49 WeakPolarHBondContact O-CA 3.44Å; F45-G49 PolarHBondContact O-N 2.87Å; F45-V94 HydrophobicContact CB-CG1 4.32Å; F45-V94 HydrophobicContact CD1-CG1 3.75Å; F45-V94 WeakPolarHBondContact O-CG1 3.43Å; F45-F116 HydrophobicContact CE2-CZ 4.31Å; F45-L120 HydrophobicContact CE1-CD2 4.32Å; F45-L120 HydrophobicContact CE2-CD2 3.7Å; F45-L120 HydrophobicContact CZ-CD2 3.38Å; F45-P173 HydrophobicContact CD1-CB 4.43Å; F45-P173 HydrophobicContact CD1-CG 4.23Å; F45-P173 HydrophobicContact CD2-CB 4.49Å; F45-P173 HydrophobicContact CE1-CB 4.09Å; F45-P173 HydrophobicContact CE1-CG 3.99Å; F45-P173 HydrophobicContact CE2-CB 4.11Å; F45-P173 VanDerWaalsContact CZ-C 3.45Å; F45-P173 HydrophobicContact CZ-CB 3.93Å; F45-P173 HydrophobicContact CZ-CG 4.32Å; F45-P173 WeakPolarHBondContact CZ-O 3.14Å; F45-C174 HydrophobicContact CE1-CB 4.29Å; F45-C174 HydrophobicContact CZ-CB 4.25Å |
| 46 | A | 90.4 | Very high | 87.5 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | G42 F43 L50 | G42-A46 WeakPolarHBondContact O-CB 3.38Å; G42-A46 PolarHBondContact O-N 3.17Å; F43-A46 PolarHBondContact O-N 3.47Å; A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 2.95Å |
| 47 | F | 91.2 | Very high | 87.9 | Confident | 128 Ų | 128 | 50.3 Ų | 50.3 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65 | -53.7 | 179 | -177.4 | -98 | 0 | 0 | 0 | 112.6 | F43 S44 F45 G49 L50 A51 | F43-F47 PolarHBondContact O-N 2.86Å; S44-F47 PolarHBondContact O-N 3.18Å; F45-F47 VanDerWaalsContact C-N 3.31Å; F45-F47 PolarHBondContact O-N 3.05Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.36Å; F47-L50 PolarHBondContact O-N 3.41Å; F47-A51 WeakPolarHBondContact O-CB 3.16Å; F47-A51 PolarHBondContact O-N 3.47Å |
| 48 | F | 90.1 | Very high | 88.1 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 179 | -73.4 | -61.3 | 0 | 0 | 0 | 112.2 | S44 A51 S52 N166 L169 P173 | S44-F48 WeakPolarHBondContact O-CB 3.21Å; S44-F48 WeakPolarHBondContact O-CD2 3.08Å; S44-F48 PolarHBondContact O-N 3.45Å; F48-A51 PolarHBondContact O-N 2.95Å; F48-S52 PolarHBondContact O-N 3.38Å; F48-S52 PolarHBondContact O-OG 3.04Å; F48-N166 PolarHBondContact O-ND2 3.14Å; F48-L169 HydrophobicContact CD1-CB 4.39Å; F48-L169 HydrophobicContact CE1-CB 3.84Å; F48-L169 HydrophobicContact CE1-CD1 4.39Å; F48-L169 HydrophobicContact CZ-CB 4.28Å; F48-P173 HydrophobicContact CD2-CG 4.18Å; F48-P173 HydrophobicContact CE2-CG 4.47Å |
| 49 | G | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F45 F47 S52 A53 V94 | F45-G49 WeakPolarHBondContact O-CA 3.44Å; F45-G49 PolarHBondContact O-N 2.87Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.36Å; G49-S52 VanDerWaalsContact CA-OG 3.3Å; G49-S52 WeakPolarHBondContact CA-OG 3.34Å; G49-S52 PolarHBondContact O-N 3.41Å; G49-S52 PolarHBondContact O-OG 2.93Å; G49-A53 WeakPolarHBondContact O-CB 3.27Å; G49-A53 PolarHBondContact O-N 2.97Å; G49-V94 VanDerWaalsContact CA-CG1 3.48Å |
| 50 | L | 92.1 | Very high | 87.4 | Confident | 114 Ų | 114 | 45.4 Ų | 45.4 | 60% | 0.597 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.7 | -46.8 | 174.2 | -169.9 | 83.2 | 0 | 0 | 0 | 111.1 | A46 F47 S52 A53 F54 L95 | A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 2.95Å; F47-L50 PolarHBondContact O-N 3.41Å; L50-S52 PolarHBondContact O-N 2.98Å; L50-A53 PolarHBondContact O-N 3.21Å; L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 PolarHBondContact O-N 3.29Å; L50-L95 HydrophobicContact CB-CD1 4.29Å |
| 51 | A | 90.9 | Very high | 86.9 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F47 F48 F54 L55 | F47-A51 WeakPolarHBondContact O-CB 3.16Å; F47-A51 PolarHBondContact O-N 3.47Å; F48-A51 PolarHBondContact O-N 2.95Å; A51-F54 PolarHBondContact O-N 3.25Å; A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.18Å; A51-L55 PolarHBondContact O-N 3.25Å |
| 52 | S | 88.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 176.9 | 43.2 | 0 | 0 | 0 | 0 | 113.1 | F48 G49 L50 F54 G56 G91 N166 | F48-S52 PolarHBondContact O-N 3.38Å; F48-S52 PolarHBondContact O-OG 3.04Å; G49-S52 VanDerWaalsContact CA-OG 3.3Å; G49-S52 WeakPolarHBondContact CA-OG 3.34Å; G49-S52 PolarHBondContact O-N 3.41Å; G49-S52 PolarHBondContact O-OG 2.93Å; L50-S52 PolarHBondContact O-N 2.98Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-G56 PolarHBondContact O-N 3.41Å; S52-G91 WeakPolarHBondContact OG-CA 3.36Å; S52-N166 WeakPolarHBondContact CA-ND2 3.42Å; S52-N166 VanDerWaalsContact CB-ND2 3.34Å; S52-N166 WeakPolarHBondContact CB-ND2 3.36Å; S52-N166 PolarHBondContact N-ND2 2.95Å; S52-N166 VanDerWaalsContact N-ND2 3.18Å |
| 53 | A | 88.4 | Confident | 85.4 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G49 L50 G56 L57 | G49-A53 WeakPolarHBondContact O-CB 3.27Å; G49-A53 PolarHBondContact O-N 2.97Å; L50-A53 PolarHBondContact O-N 3.21Å; A53-G56 PolarHBondContact O-N 2.96Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 3.35Å |
| 54 | F | 89.1 | Confident | 84.3 | Confident | 133 Ų | 133 | 41.3 Ų | 41.3 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.2 | -48.7 | 177.2 | -158.6 | -96.8 | 0 | 0 | 0 | 111.5 | L50 A51 S52 G56 L57 L58 | L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 PolarHBondContact O-N 3.29Å; A51-F54 PolarHBondContact O-N 3.25Å; S52-F54 VanDerWaalsContact C-N 3.34Å; F54-G56 VanDerWaalsContact C-N 3.31Å; F54-G56 PolarHBondContact O-N 3.42Å; F54-L57 PolarHBondContact O-N 2.81Å; F54-L58 HydrophobicContact CD1-CD1 3.74Å; F54-L58 HydrophobicContact CD1-CG 4.02Å; F54-L58 HydrophobicContact CE1-CD1 3.8Å; F54-L58 HydrophobicContact CE1-CD2 4.07Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 VanDerWaalsContact O-CG 3.31Å; F54-L58 WeakPolarHBondContact O-CG 3.08Å; F54-L58 PolarHBondContact O-N 3.47Å |
| 55 | L | 87.2 | Confident | 83.3 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.4 | -72.1 | 170.2 | 0 | 0 | 0 | 112.2 | A51 L58 D59 F162 N166 | A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.18Å; A51-L55 PolarHBondContact O-N 3.25Å; L55-L58 HydrophobicContact CD2-CD1 4.42Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.79Å; L55-D59 WeakPolarHBondContact O-CB 3.33Å; L55-D59 PolarHBondContact O-N 3.42Å; L55-F162 HydrophobicContact CD2-CB 4.25Å; L55-N166 HydrophobicContact CD1-CB 3.75Å |
| 56 | G | 84.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S52 A53 F54 D59 S60 I88 | S52-G56 PolarHBondContact O-N 3.41Å; A53-G56 PolarHBondContact O-N 2.96Å; F54-G56 VanDerWaalsContact C-N 3.31Å; F54-G56 PolarHBondContact O-N 3.42Å; G56-D59 PolarHBondContact O-N 3.32Å; G56-S60 VanDerWaalsContact O-CB 3.29Å; G56-S60 WeakPolarHBondContact O-CB 3.42Å; G56-S60 PolarHBondContact O-N 2.89Å; G56-S60 PolarHBondContact O-OG 3.02Å; G56-I88 VanDerWaalsContact C-CG1 3.48Å |
| 57 | L | 85.5 | Confident | 80.7 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 175.5 | -171.9 | 146.5 | 0 | 0 | 0 | 111.5 | A53 F54 V61 L62 | A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 3.35Å; F54-L57 PolarHBondContact O-N 2.81Å; L57-V61 WeakPolarHBondContact O-CA 3.49Å; L57-V61 WeakPolarHBondContact O-CB 3.47Å; L57-V61 PolarHBondContact O-N 3.48Å; L57-L62 PolarHBondContact O-N 3.17Å; L57-L62 VanDerWaalsContact O-N 3.13Å |
| 58 | L | 83.8 | Confident | 79 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -58.5 | -49.3 | 172.6 | -69.1 | 176.4 | 0 | 0 | 0 | 110.6 | F54 L55 L62 I63 | F54-L58 HydrophobicContact CD1-CD1 3.74Å; F54-L58 HydrophobicContact CD1-CG 4.02Å; F54-L58 HydrophobicContact CE1-CD1 3.8Å; F54-L58 HydrophobicContact CE1-CD2 4.07Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 VanDerWaalsContact O-CG 3.31Å; F54-L58 WeakPolarHBondContact O-CG 3.08Å; F54-L58 PolarHBondContact O-N 3.47Å; L55-L58 HydrophobicContact CD2-CD1 4.42Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.79Å; L58-L62 HydrophobicContact CD2-CB 3.95Å; L58-L62 HydrophobicContact CD2-CD2 3.26Å; L58-L62 HydrophobicContact CD2-CG 4.21Å; L58-L62 PolarHBondContact O-N 2.75Å; L58-I63 VanDerWaalsContact O-CG1 3.3Å; L58-I63 WeakPolarHBondContact O-CG1 3.44Å; L58-I63 PolarHBondContact O-N 3.43Å |
| 59 | D | 78.1 | Confident | 77.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -69.1 | -40.3 | -176.2 | -160 | 56 | 0 | 0 | 0 | 113.2 | L55 G56 P64 N82 T159 | L55-D59 WeakPolarHBondContact O-CB 3.33Å; L55-D59 PolarHBondContact O-N 3.42Å; G56-D59 PolarHBondContact O-N 3.32Å; D59-P64 WeakPolarHBondContact O-CD 3.5Å; D59-N82 PolarHBondContact O-ND2 3.18Å; D59-T159 PolarHBondContact OD1-OG1 3.32Å |
| 60 | S | 74.5 | Confident | 75.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -88.4 | -27 | -173.8 | -48.6 | 0 | 0 | 0 | 0 | 113.9 | G56 | G56-S60 VanDerWaalsContact O-CB 3.29Å; G56-S60 WeakPolarHBondContact O-CB 3.42Å; G56-S60 PolarHBondContact O-N 2.89Å; G56-S60 PolarHBondContact O-OG 3.02Å |
| 61 | V | 76.1 | Confident | 74 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -123.5 | -54.2 | -171.5 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | L57 S65 | L57-V61 WeakPolarHBondContact O-CA 3.49Å; L57-V61 WeakPolarHBondContact O-CB 3.47Å; L57-V61 PolarHBondContact O-N 3.48Å; V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.28Å; V61-S65 PolarHBondContact O-OG 2.91Å |
| 62 | L | 73.9 | Confident | 72.2 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -68.8 | -53.8 | -169.9 | -165.5 | 68 | 0 | 0 | 0 | 111.9 | L57 L58 S65 L66 | L57-L62 PolarHBondContact O-N 3.17Å; L57-L62 VanDerWaalsContact O-N 3.13Å; L58-L62 HydrophobicContact CD2-CB 3.95Å; L58-L62 HydrophobicContact CD2-CD2 3.26Å; L58-L62 HydrophobicContact CD2-CG 4.21Å; L58-L62 PolarHBondContact O-N 2.75Å; L62-S65 PolarHBondContact O-N 3Å; L62-S65 VanDerWaalsContact O-N 3.14Å; L62-S65 PolarHBondContact O-OG 3.39Å; L62-L66 HydrophobicContact CD1-CD1 4.02Å; L62-L66 HydrophobicContact CG-CD1 3.73Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 PolarHBondContact O-N 3.44Å |
| 63 | I | 71.2 | Confident | 70.5 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | -175.6 | -48.6 | 159.8 | 0 | 0 | 0 | 111.5 | L58 S65 L66 I152 S155 H156 T159 | L58-I63 VanDerWaalsContact O-CG1 3.3Å; L58-I63 WeakPolarHBondContact O-CG1 3.44Å; L58-I63 PolarHBondContact O-N 3.43Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.11Å; I63-L66 PolarHBondContact O-N 2.87Å; I63-I152 HydrophobicContact CG2-CG2 4.34Å; I63-S155 WeakPolarHBondContact CG2-OG 3.46Å; I63-H156 WeakPolarHBondContact CG2-CE1 3.16Å; I63-H156 VanDerWaalsContact CG2-NE2 3.3Å; I63-H156 WeakPolarHBondContact CG2-NE2 3.31Å; I63-T159 HydrophobicContact CD1-CG2 3.4Å; I63-T159 VanDerWaalsContact CD1-CG2 3.4Å; I63-T159 WeakPolarHBondContact CD1-OG1 3.46Å; I63-T159 HydrophobicContact CG1-CG2 4.39Å |
| 64 | P | 66.4 | Low | 68.8 | Low | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59 | -37.5 | 172.5 | -28.7 | 40 | 0 | 0 | 0 | 113.7 | D59 L66 S67 P75 | D59-P64 WeakPolarHBondContact O-CD 3.5Å; P64-L66 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 3.32Å; P64-S67 CarbonylContact O-C 3.33Å; P64-S67 PolarHBondContact O-N 2.88Å; P64-P75 WeakPolarHBondContact CB-O 3.45Å |
| 65 | S | 68 | Low | 67.3 | Low | 52 Ų | 52 | 71.8 Ų | 71.8 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | -26.6 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | V61 L62 I63 S67 | V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.28Å; V61-S65 PolarHBondContact O-OG 2.91Å; L62-S65 PolarHBondContact O-N 3Å; L62-S65 VanDerWaalsContact O-N 3.14Å; L62-S65 PolarHBondContact O-OG 3.39Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.11Å; S65-S67 VanDerWaalsContact C-N 3.3Å |
| 66 | L | 66.8 | Low | 65.8 | Low | 123 Ų | 123 | 72.9 Ų | 72.9 | 64% | 0.644 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -77 | -16.3 | 176.7 | -86.6 | 105.8 | 0 | 0 | 0 | 113.1 | L62 I63 P64 | L62-L66 HydrophobicContact CD1-CD1 4.02Å; L62-L66 HydrophobicContact CG-CD1 3.73Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 PolarHBondContact O-N 3.44Å; I63-L66 PolarHBondContact O-N 2.87Å; P64-L66 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 3.32Å |
| 67 | S | 59.3 | Low | 64.6 | Low | 44 Ų | 44 | 77.7 Ų | 77.7 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -136.2 | 73 | -179.4 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | P64 S65 T69 | P64-S67 CarbonylContact O-C 3.33Å; P64-S67 PolarHBondContact O-N 2.88Å; S65-S67 VanDerWaalsContact C-N 3.3Å; S67-T69 PolarHBondContact O-N 2.84Å |
| 68 | P | 55.6 | Low | 63.3 | Low | 88 Ų | 88 | 79 Ų | 79 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | trans | -62.7 | 104.6 | 173.9 | 26.6 | -32.4 | 0 | 0 | 0 | 108.6 | D70 | P68-D70 PolarHBondContact O-N 2.95Š| ||
| 69 | T | 54.8 | Low | 62.3 | Low | 107 Ų | 107 | 79.5 Ų | 79.5 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -66.4 | -28.1 | 177.3 | -23.9 | 0 | 0 | 0 | 0 | 110.8 | S67 | S67-T69 PolarHBondContact O-N 2.84Š|
| 70 | D | 55.1 | Low | 61.3 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 57% | 0.572 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -135.1 | 132.8 | 176.7 | -76.8 | -42 | 0 | 0 | 0 | 111.4 | P68 N72 | P68-D70 PolarHBondContact O-N 2.95Å; D70-N72 PolarHBondContact O-N 2.96Å; D70-N72 VanDerWaalsContact O-N 3.11Å |
| 71 | S | 56.6 | Low | 60.7 | Low | 119 Ų | 119 | 82 Ų | 82 | 83% | 0.832 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.8 | -177.8 | 53.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 72 | N | 52.5 | Low | 59.9 | Low | 145 Ų | 145 | 79.3 Ų | 79.3 | 78% | 0.775 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | -5.6 | -170.4 | -79.9 | -13.3 | 0 | 0 | 0 | 115.5 | D70 | D70-N72 PolarHBondContact O-N 2.96Å; D70-N72 VanDerWaalsContact O-N 3.11Å |
| 73 | N | 53.3 | Low | 59.4 | Low | 122 Ų | 122 | 75.7 Ų | 75.7 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -109.4 | 131.1 | 177.7 | -77 | -19 | 0 | 0 | 0 | 109.9 | ||
| 74 | Y | 52.5 | Low | 59.3 | Low | 215 Ų | 215 | 81.3 Ų | 81.3 | 84% | 0.843 | 44% | 0.439 | S | S | * | . | trans | -44.9 | 129.8 | 175.5 | -86.9 | -94.4 | 0 | 0 | 0 | 109.7 | V76 | Y74-V76 PolarHBondContact O-N 3.05Š| ||
| 75 | P | 57.6 | Low | 59.8 | Low | 56 Ų | 56 | 80.9 Ų | 80.9 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -73 | 22.8 | -172.2 | 30.9 | -37.2 | 0 | 0 | 0 | 113.1 | P64 E77 | P64-P75 WeakPolarHBondContact CB-O 3.45Å; P75-E77 PolarHBondContact O-N 3.45Å |
| 76 | V | 55.8 | Low | 60.5 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 33% | 0.333 | 43% | 0.427 | S | S | . | . | trans | -97.4 | 92.2 | 176.4 | -171 | 0 | 0 | 0 | 0 | 108.1 | Y74 F78 | Y74-V76 PolarHBondContact O-N 3.05Å; V76-F78 HydrophobicContact CB-CE2 4.28Å; V76-F78 HydrophobicContact CG1-CD2 3.93Å; V76-F78 HydrophobicContact CG1-CE1 4.01Å; V76-F78 HydrophobicContact CG1-CE2 3.37Å; V76-F78 HydrophobicContact CG1-CG 4.47Å; V76-F78 HydrophobicContact CG1-CZ 3.42Å; V76-F78 VanDerWaalsContact CG1-CZ 3.42Å; V76-F78 PolarHBondContact O-N 2.96Å | ||
| 77 | E | 58.5 | Low | 61.3 | Low | 101 Ų | 101 | 74 Ų | 74 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | trans | -85.1 | 99 | 174.8 | -70.4 | -167.8 | 175.1 | 0 | 0 | 110.7 | P75 S79 N82 | P75-E77 PolarHBondContact O-N 3.45Å; E77-S79 PolarHBondContact O-N 2.89Å; E77-N82 PolarHBondContact O-ND2 3.27Å | ||
| 78 | F | 59.1 | Low | 62.6 | Low | 117 Ų | 117 | 74.2 Ų | 74.2 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | trans | -79.1 | 64.6 | 166.4 | -64.4 | -70.9 | 0 | 0 | 0 | 110.5 | V76 Y84 | V76-F78 HydrophobicContact CB-CE2 4.28Å; V76-F78 HydrophobicContact CG1-CD2 3.93Å; V76-F78 HydrophobicContact CG1-CE1 4.01Å; V76-F78 HydrophobicContact CG1-CE2 3.37Å; V76-F78 HydrophobicContact CG1-CG 4.47Å; V76-F78 HydrophobicContact CG1-CZ 3.42Å; V76-F78 VanDerWaalsContact CG1-CZ 3.42Å; V76-F78 PolarHBondContact O-N 2.96Å; F78-Y84 HydrophobicContact CB-CD1 4.23Å; F78-Y84 WeakPolarHBondContact O-CD1 3.18Å; F78-Y84 WeakPolarHBondContact O-CE1 3.44Å | ||
| 79 | S | 62.8 | Low | 64.1 | Low | 48 Ų | 48 | 77.8 Ų | 77.8 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | trans | -82.7 | 154.2 | 175 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | E77 A81 N82 G83 Y84 | E77-S79 PolarHBondContact O-N 2.89Å; S79-A81 PolarHBondContact O-N 3.16Å; S79-A81 VanDerWaalsContact O-N 3.11Å; S79-N82 PolarHBondContact O-N 3.3Å; S79-G83 PolarHBondContact O-N 3.19Å; S79-Y84 PolarHBondContact O-N 3.33Å | ||
| 80 | L | 57.7 | Low | 65.6 | Low | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -51.9 | -32.1 | 170 | -177.6 | 66.9 | 0 | 0 | 0 | 111.2 | N82 G83 Y84 Y140 | L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.39Å; L80-G83 PolarHBondContact O-N 3.36Å; L80-Y84 HydrophobicContact CB-CE2 4.44Å; L80-Y84 HydrophobicContact CD1-CE2 3.79Å; L80-Y140 HydrophobicContact CD2-CD2 4.01Å; L80-Y140 HydrophobicContact CD2-CE2 4.47Å |
| 81 | A | 60.6 | Low | 67.2 | Low | 13 Ų | 13 | 68 Ų | 68 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -67.6 | -27.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S79 G83 N142 R160 | S79-A81 PolarHBondContact O-N 3.16Å; S79-A81 VanDerWaalsContact O-N 3.11Å; A81-G83 VanDerWaalsContact C-N 3.33Å; A81-N142 HydrophobicContact CB-CB 4.1Å; A81-R160 VanDerWaalsContact CB-CZ 3.45Å; A81-R160 PolarHBondContact O-NE 3.41Å |
| 82 | N | 60.6 | Low | 68.9 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -94.1 | 7 | 172.8 | -63.7 | -2 | 0 | 0 | 0 | 111.6 | D59 E77 S79 L80 Y84 G85 R160 | D59-N82 PolarHBondContact O-ND2 3.18Å; E77-N82 PolarHBondContact O-ND2 3.27Å; S79-N82 PolarHBondContact O-N 3.3Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.39Å; N82-Y84 PolarHBondContact O-N 3.15Å; N82-G85 PolarHBondContact O-N 3.17Å; N82-R160 PolarHBondContact OD1-NE 3.31Å; N82-R160 PolarHBondContact OD1-NH2 2.95Å |
| 83 | G | 63 | Low | 70.7 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | 57.6 | 31.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S79 L80 A81 G85 L86 | S79-G83 PolarHBondContact O-N 3.19Å; L80-G83 PolarHBondContact O-N 3.36Å; A81-G83 VanDerWaalsContact C-N 3.33Å; G83-G85 PolarHBondContact O-N 2.68Å; G83-G85 VanDerWaalsContact O-N 3.14Å; G83-L86 VanDerWaalsContact O-CB 3.32Å; G83-L86 WeakPolarHBondContact O-CB 3.44Å; G83-L86 PolarHBondContact O-N 2.95Å |
| 84 | Y | 69.4 | Low | 72.5 | Confident | 132 Ų | 132 | 57 Ų | 57 | 52% | 0.518 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | 55.2 | 28.3 | -176.6 | -58 | -81.3 | 0 | 0 | 0 | 114.7 | F78 S79 L80 N82 L86 | F78-Y84 HydrophobicContact CB-CD1 4.23Å; F78-Y84 WeakPolarHBondContact O-CD1 3.18Å; F78-Y84 WeakPolarHBondContact O-CE1 3.44Å; S79-Y84 PolarHBondContact O-N 3.33Å; L80-Y84 HydrophobicContact CB-CE2 4.44Å; L80-Y84 HydrophobicContact CD1-CE2 3.79Å; N82-Y84 PolarHBondContact O-N 3.15Å; Y84-L86 VanDerWaalsContact C-N 3.26Å; Y84-L86 PolarHBondContact O-N 2.89Å |
| 85 | G | 76.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | 73.8 | 14.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N82 G83 I88 Y89 | N82-G85 PolarHBondContact O-N 3.17Å; G83-G85 PolarHBondContact O-N 2.68Å; G83-G85 VanDerWaalsContact O-N 3.14Å; G85-I88 WeakPolarHBondContact O-CB 3.45Å; G85-I88 PolarHBondContact O-N 2.7Å; G85-Y89 WeakPolarHBondContact O-CD2 3.32Å |
| 86 | L | 82.5 | Confident | 76 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.3 | -36 | 172.8 | -136.6 | 95.2 | 0 | 0 | 0 | 114.1 | G83 Y84 I88 Y89 T90 L126 V129 Y130 | G83-L86 VanDerWaalsContact O-CB 3.32Å; G83-L86 WeakPolarHBondContact O-CB 3.44Å; G83-L86 PolarHBondContact O-N 2.95Å; Y84-L86 VanDerWaalsContact C-N 3.26Å; Y84-L86 PolarHBondContact O-N 2.89Å; L86-I88 PolarHBondContact O-N 2.95Å; L86-Y89 PolarHBondContact O-N 3.42Å; L86-T90 HydrophobicContact CD2-CG2 4.1Å; L86-T90 HydrophobicContact CG-CG2 4.36Å; L86-T90 WeakPolarHBondContact O-CB 3.46Å; L86-T90 VanDerWaalsContact O-CG2 3.23Å; L86-T90 WeakPolarHBondContact O-CG2 3.41Å; L86-T90 PolarHBondContact O-N 3.22Å; L86-T90 PolarHBondContact O-OG1 3.37Å; L86-L126 WeakPolarHBondContact CD2-O 3.38Å; L86-V129 HydrophobicContact CD2-CB 4.45Å; L86-V129 HydrophobicContact CD2-CG1 4.2Å; L86-Y130 HydrophobicContact CB-CD2 4.17Å; L86-Y130 HydrophobicContact CD2-CD2 4.25Å; L86-Y130 HydrophobicContact CD2-CG 4.37Å |
| 87 | P | 83.5 | Confident | 77.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.5 | -32.9 | 174.4 | -30.7 | 38.5 | 0 | 0 | 0 | 114.4 | T90 G91 Y130 T163 | P87-T90 VanDerWaalsContact C-OG1 3.3Å; P87-T90 WeakPolarHBondContact CA-OG1 3.49Å; P87-T90 PolarHBondContact O-OG1 3.47Å; P87-G91 PolarHBondContact O-N 3.4Å; P87-Y130 HydrophobicContact CG-CD2 4.2Å; P87-Y130 HydrophobicContact CG-CE2 3.53Å; P87-T163 HydrophobicContact CB-CG2 3.7Å; P87-T163 HydrophobicContact CG-CG2 3.73Å |
| 88 | I | 85.6 | Confident | 79.1 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71 | -48.8 | 178.1 | -57.5 | 173.4 | 0 | 0 | 0 | 109.6 | G56 G85 L86 G91 M92 | G56-I88 VanDerWaalsContact C-CG1 3.48Å; G85-I88 WeakPolarHBondContact O-CB 3.45Å; G85-I88 PolarHBondContact O-N 2.7Å; L86-I88 PolarHBondContact O-N 2.95Å; I88-G91 PolarHBondContact O-N 3.5Å; I88-M92 WeakPolarHBondContact O-CG 3.16Å; I88-M92 PolarHBondContact O-N 3.38Å |
| 89 | Y | 87 | Confident | 80.6 | Confident | 162 Ų | 162 | 39.3 Ų | 39.3 | 64% | 0.635 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.7 | -44.7 | 179.1 | -68.3 | -71.3 | 0 | 0 | 0 | 112.2 | G85 L86 G91 M92 L93 | G85-Y89 WeakPolarHBondContact O-CD2 3.32Å; L86-Y89 PolarHBondContact O-N 3.42Å; Y89-G91 VanDerWaalsContact C-N 3.35Å; Y89-M92 PolarHBondContact O-N 2.8Å; Y89-L93 WeakPolarHBondContact O-CB 3.35Å; Y89-L93 PolarHBondContact O-N 3.07Å |
| 90 | T | 88 | Confident | 81.8 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | L86 P87 M92 L93 V94 L126 | L86-T90 HydrophobicContact CD2-CG2 4.1Å; L86-T90 HydrophobicContact CG-CG2 4.36Å; L86-T90 WeakPolarHBondContact O-CB 3.46Å; L86-T90 VanDerWaalsContact O-CG2 3.23Å; L86-T90 WeakPolarHBondContact O-CG2 3.41Å; L86-T90 PolarHBondContact O-N 3.22Å; L86-T90 PolarHBondContact O-OG1 3.37Å; P87-T90 VanDerWaalsContact C-OG1 3.3Å; P87-T90 WeakPolarHBondContact CA-OG1 3.49Å; P87-T90 PolarHBondContact O-OG1 3.47Å; T90-M92 PolarHBondContact O-N 3.12Å; T90-L93 PolarHBondContact O-N 3.37Å; T90-V94 WeakPolarHBondContact O-CB 3.42Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.21Å; T90-L126 HydrophobicContact CG2-CB 3.8Å |
| 91 | G | 88.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | S52 P87 I88 Y89 L93 V94 L95 | S52-G91 WeakPolarHBondContact OG-CA 3.36Å; P87-G91 PolarHBondContact O-N 3.4Å; I88-G91 PolarHBondContact O-N 3.5Å; Y89-G91 VanDerWaalsContact C-N 3.35Å; G91-L93 VanDerWaalsContact C-N 3.32Å; G91-L93 PolarHBondContact O-N 2.81Å; G91-V94 PolarHBondContact O-N 3.13Å; G91-L95 VanDerWaalsContact O-CB 3.31Å; G91-L95 WeakPolarHBondContact O-CB 3.5Å; G91-L95 PolarHBondContact O-N 3.41Å |
| 92 | M | 91.1 | Very high | 84.4 | Confident | 109 Ų | 109 | 41.2 Ų | 41.2 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 173.9 | -70.7 | -60.9 | -71 | 0 | 0 | 112 | I88 Y89 T90 L95 S96 | I88-M92 WeakPolarHBondContact O-CG 3.16Å; I88-M92 PolarHBondContact O-N 3.38Å; Y89-M92 PolarHBondContact O-N 2.8Å; T90-M92 PolarHBondContact O-N 3.12Å; M92-L95 PolarHBondContact O-N 3.42Å; M92-S96 WeakPolarHBondContact O-CB 3.32Å; M92-S96 PolarHBondContact O-N 3.42Å; M92-S96 PolarHBondContact O-OG 2.73Å |
| 93 | L | 89.7 | Confident | 85.6 | Confident | 42 Ų | 42 | 48.4 Ų | 48.4 | 22% | 0.22 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.4 | -38.6 | 178.3 | -157.1 | 144.2 | 0 | 0 | 0 | 111.5 | Y89 T90 G91 S96 T97 L122 V123 L126 | Y89-L93 WeakPolarHBondContact O-CB 3.35Å; Y89-L93 PolarHBondContact O-N 3.07Å; T90-L93 PolarHBondContact O-N 3.37Å; G91-L93 VanDerWaalsContact C-N 3.32Å; G91-L93 PolarHBondContact O-N 2.81Å; L93-S96 WeakPolarHBondContact CA-OG 3.46Å; L93-S96 PolarHBondContact O-N 2.91Å; L93-S96 PolarHBondContact O-OG 2.84Å; L93-T97 VanDerWaalsContact O-CB 3.31Å; L93-T97 WeakPolarHBondContact O-CB 3.31Å; L93-T97 PolarHBondContact O-N 3.38Å; L93-T97 PolarHBondContact O-OG1 3.5Å; L93-L122 HydrophobicContact CD1-CB 4.4Å; L93-L122 HydrophobicContact CD2-CB 4.11Å; L93-V123 HydrophobicContact CD2-CB 4.13Å; L93-V123 HydrophobicContact CD2-CG2 3.2Å; L93-L126 HydrophobicContact CB-CD1 4.43Å; L93-L126 HydrophobicContact CD1-CD1 3.69Å; L93-L126 HydrophobicContact CG-CD1 4.48Å |
| 94 | V | 91.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 172.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | F45 G49 T90 G91 T97 G98 V123 | F45-V94 HydrophobicContact CB-CG1 4.32Å; F45-V94 HydrophobicContact CD1-CG1 3.75Å; F45-V94 WeakPolarHBondContact O-CG1 3.43Å; G49-V94 VanDerWaalsContact CA-CG1 3.48Å; T90-V94 WeakPolarHBondContact O-CB 3.42Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.21Å; G91-V94 PolarHBondContact O-N 3.13Å; V94-T97 WeakPolarHBondContact O-CB 3.26Å; V94-T97 PolarHBondContact O-N 2.86Å; V94-G98 PolarHBondContact O-N 2.95Å; V94-V123 HydrophobicContact CG2-CG1 3.61Å; V94-V123 HydrophobicContact CG2-CG2 4.1Å |
| 95 | L | 92.1 | Very high | 87.1 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.3 | -170.9 | 90.1 | 0 | 0 | 0 | 111.2 | L50 G91 M92 T97 G98 A99 | L50-L95 HydrophobicContact CB-CD1 4.29Å; G91-L95 VanDerWaalsContact O-CB 3.31Å; G91-L95 WeakPolarHBondContact O-CB 3.5Å; G91-L95 PolarHBondContact O-N 3.41Å; M92-L95 PolarHBondContact O-N 3.42Å; L95-T97 VanDerWaalsContact C-N 3.29Å; L95-T97 PolarHBondContact O-N 2.94Å; L95-G98 PolarHBondContact O-N 3.5Å; L95-A99 PolarHBondContact O-N 3.27Å |
| 96 | S | 91.3 | Very high | 87.4 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | M92 L93 A99 M100 | M92-S96 WeakPolarHBondContact O-CB 3.32Å; M92-S96 PolarHBondContact O-N 3.42Å; M92-S96 PolarHBondContact O-OG 2.73Å; L93-S96 WeakPolarHBondContact CA-OG 3.46Å; L93-S96 PolarHBondContact O-N 2.91Å; L93-S96 PolarHBondContact O-OG 2.84Å; S96-A99 PolarHBondContact O-N 3.12Å; S96-M100 WeakPolarHBondContact O-CB 3.42Å; S96-M100 WeakPolarHBondContact O-CG 3.4Å; S96-M100 PolarHBondContact O-N 3.48Å |
| 97 | T | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 173.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | L93 V94 L95 M100 A101 F116 S119 L120 V123 | L93-T97 VanDerWaalsContact O-CB 3.31Å; L93-T97 WeakPolarHBondContact O-CB 3.31Å; L93-T97 PolarHBondContact O-N 3.38Å; L93-T97 PolarHBondContact O-OG1 3.5Å; V94-T97 WeakPolarHBondContact O-CB 3.26Å; V94-T97 PolarHBondContact O-N 2.86Å; L95-T97 VanDerWaalsContact C-N 3.29Å; L95-T97 PolarHBondContact O-N 2.94Å; T97-M100 PolarHBondContact O-N 3.3Å; T97-A101 PolarHBondContact O-N 3.25Å; T97-F116 HydrophobicContact CG2-CD2 3.93Å; T97-F116 HydrophobicContact CG2-CE2 3.57Å; T97-S119 PolarHBondContact OG1-OG 3.44Å; T97-L120 HydrophobicContact CG2-CD2 3.96Å; T97-L120 HydrophobicContact CG2-CG 4.39Å; T97-V123 HydrophobicContact CG2-CG2 4.38Å; T97-V123 WeakPolarHBondContact OG1-CG2 3.3Å |
| 98 | G | 89.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V94 L95 M100 A101 L102 | V94-G98 PolarHBondContact O-N 2.95Å; L95-G98 PolarHBondContact O-N 3.5Å; G98-M100 VanDerWaalsContact C-N 3.33Å; G98-M100 PolarHBondContact O-N 3.5Å; G98-A101 WeakPolarHBondContact O-CB 3.33Å; G98-A101 PolarHBondContact O-N 2.94Å; G98-L102 PolarHBondContact O-N 3.28Å |
| 99 | A | 90 | Very high | 86.1 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 S96 L102 R103 | L95-A99 PolarHBondContact O-N 3.27Å; S96-A99 PolarHBondContact O-N 3.12Å; A99-L102 PolarHBondContact O-N 3.29Å; A99-R103 WeakPolarHBondContact O-CB 3.34Å; A99-R103 PolarHBondContact O-N 3.4Å |
| 100 | M | 87.7 | Confident | 85.3 | Confident | 75 Ų | 75 | 55 Ų | 55 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 173.7 | -72.9 | -69.1 | -177.9 | 0 | 0 | 112.2 | S96 T97 G98 R103 T104 | S96-M100 WeakPolarHBondContact O-CB 3.42Å; S96-M100 WeakPolarHBondContact O-CG 3.4Å; S96-M100 PolarHBondContact O-N 3.48Å; T97-M100 PolarHBondContact O-N 3.3Å; G98-M100 VanDerWaalsContact C-N 3.33Å; G98-M100 PolarHBondContact O-N 3.5Å; M100-R103 PolarHBondContact O-N 2.89Å; M100-T104 WeakPolarHBondContact O-CB 3.48Å; M100-T104 PolarHBondContact O-N 2.88Å; M100-T104 PolarHBondContact O-OG1 3.44Å |
| 101 | A | 86.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L38 T97 G98 R103 T104 I105 F116 | L38-A101 HydrophobicContact CD1-CB 3.98Å; L38-A101 HydrophobicContact CG-CB 4.46Å; T97-A101 PolarHBondContact O-N 3.25Å; G98-A101 WeakPolarHBondContact O-CB 3.33Å; G98-A101 PolarHBondContact O-N 2.94Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.18Å; A101-T104 WeakPolarHBondContact O-CB 3.5Å; A101-T104 PolarHBondContact O-N 3.33Å; A101-I105 WeakPolarHBondContact O-CG1 3.42Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.12Å; A101-F116 HydrophobicContact CB-CD2 3.87Å; A101-F116 HydrophobicContact CB-CE2 3.52Å; A101-F116 HydrophobicContact CB-CZ 4.1Å |
| 102 | L | 86.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.366 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.6 | -67.7 | 172.9 | 0 | 0 | 0 | 112 | G98 A99 T104 I105 I106 | G98-L102 PolarHBondContact O-N 3.28Å; A99-L102 PolarHBondContact O-N 3.29Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.43Å; L102-I105 HydrophobicContact CD2-CD1 4.24Å; L102-I105 WeakPolarHBondContact O-CB 3.36Å; L102-I105 PolarHBondContact O-N 3.31Å; L102-I106 PolarHBondContact O-N 2.92Å |
| 103 | R | 85.3 | Confident | 83.6 | Confident | 157 Ų | 157 | 55.8 Ų | 55.8 | 59% | 0.592 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.8 | -36.4 | 174.9 | -175 | 176.7 | -177.4 | 163.1 | 4.8 | 112.4 | A99 M100 A101 I105 I106 S107 | A99-R103 WeakPolarHBondContact O-CB 3.34Å; A99-R103 PolarHBondContact O-N 3.4Å; M100-R103 PolarHBondContact O-N 2.89Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.18Å; R103-I105 VanDerWaalsContact C-N 3.33Å; R103-I106 PolarHBondContact O-N 2.94Å; R103-S107 VanDerWaalsContact O-CB 3.26Å; R103-S107 WeakPolarHBondContact O-CB 3.09Å; R103-S107 PolarHBondContact O-N 3.3Å; R103-S107 PolarHBondContact O-OG 3.18Å |
| 104 | T | 81.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | L38 M100 A101 L102 L108 S112 L113 | L38-T104 HydrophobicContact CD2-CG2 4.02Å; M100-T104 WeakPolarHBondContact O-CB 3.48Å; M100-T104 PolarHBondContact O-N 2.88Å; M100-T104 PolarHBondContact O-OG1 3.44Å; A101-T104 WeakPolarHBondContact O-CB 3.5Å; A101-T104 PolarHBondContact O-N 3.33Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.43Å; T104-L108 PolarHBondContact O-N 3.44Å; T104-S112 WeakPolarHBondContact OG1-CB 3.12Å; T104-L113 HydrophobicContact CG2-CB 3.96Å |
| 105 | I | 82.8 | Confident | 82.7 | Confident | 30 Ų | 30 | 68.6 Ų | 68.6 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.8 | -59.3 | 165.5 | 0 | 0 | 0 | 110.9 | M35 L38 Q39 A101 L102 R103 | M35-I105 HydrophobicContact CE-CG2 4.16Å; L38-I105 HydrophobicContact CB-CD1 3.99Å; L38-I105 HydrophobicContact CB-CG1 3.84Å; L38-I105 HydrophobicContact CD2-CD1 4.44Å; L38-I105 HydrophobicContact CD2-CG1 3.55Å; L38-I105 HydrophobicContact CG-CD1 3.95Å; L38-I105 HydrophobicContact CG-CG1 3.61Å; Q39-I105 VanDerWaalsContact CA-CD1 3.41Å; Q39-I105 HydrophobicContact CB-CD1 3.82Å; Q39-I105 HydrophobicContact CG-CD1 4.36Å; A101-I105 WeakPolarHBondContact O-CG1 3.42Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.12Å; L102-I105 HydrophobicContact CD2-CD1 4.24Å; L102-I105 WeakPolarHBondContact O-CB 3.36Å; L102-I105 PolarHBondContact O-N 3.31Å; R103-I105 VanDerWaalsContact C-N 3.33Å |
| 106 | I | 82 | Confident | 82.4 | Confident | 143 Ų | 143 | 65.7 Ų | 65.7 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71 | -41.9 | -179.1 | -61.9 | 166.1 | 0 | 0 | 0 | 111 | L102 R103 | L102-I106 PolarHBondContact O-N 2.92Å; R103-I106 PolarHBondContact O-N 2.94Å |
| 107 | S | 79.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -78.7 | -26.1 | -173.2 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | R103 R109 | R103-S107 VanDerWaalsContact O-CB 3.26Å; R103-S107 WeakPolarHBondContact O-CB 3.09Å; R103-S107 PolarHBondContact O-N 3.3Å; R103-S107 PolarHBondContact O-OG 3.18Å; S107-R109 WeakPolarHBondContact O-CG 3.42Å; S107-R109 PolarHBondContact O-N 3.23Å |
| 108 | L | 69.6 | Low | 81.8 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | trans | 49.9 | 31.1 | -174.9 | -70.4 | 157 | 0 | 0 | 0 | 113.1 | L22 L31 M35 T104 | L22-L108 HydrophobicContact CD1-CB 3.98Å; L22-L108 HydrophobicContact CD1-CD2 3.88Å; L22-L108 WeakPolarHBondContact CD1-O 3.46Å; L31-L108 HydrophobicContact CD2-CD2 3.82Å; M35-L108 HydrophobicContact CE-CD2 3.97Å; M35-L108 HydrophobicContact SD-CD2 4.18Å; T104-L108 PolarHBondContact O-N 3.44Å | ||
| 109 | R | 75.9 | Confident | 81.8 | Confident | 171 Ų | 171 | 68.7 Ų | 68.7 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | trans | -103.4 | 136 | -178.2 | -74.2 | 173.8 | -169.5 | -161.4 | 1.6 | 111.4 | S107 T111 S112 L113 | S107-R109 WeakPolarHBondContact O-CG 3.42Å; S107-R109 PolarHBondContact O-N 3.23Å; R109-T111 VanDerWaalsContact C-N 3.29Å; R109-T111 PolarHBondContact O-N 3.05Å; R109-S112 PolarHBondContact O-N 3.23Å; R109-S112 PolarHBondContact O-OG 2.95Å; R109-L113 PolarHBondContact O-N 3.46Å | ||
| 110 | Y | 70 | Confident | 81.7 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 175 | -177 | -100 | 0 | 0 | 0 | 112.8 | S112 L113 R114 | Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.28Å; Y110-L113 WeakPolarHBondContact O-CB 3.44Å; Y110-L113 PolarHBondContact O-N 3.2Å; Y110-L113 VanDerWaalsContact O-N 3.16Å; Y110-R114 PolarHBondContact O-N 3.36Å |
| 111 | T | 76.7 | Confident | 81.7 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 57% | 0.571 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.6 | -36.7 | 178.1 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | R109 R115 | R109-T111 VanDerWaalsContact C-N 3.29Å; R109-T111 PolarHBondContact O-N 3.05Å; T111-R115 WeakPolarHBondContact O-CG 3.46Å; T111-R115 PolarHBondContact O-N 3.42Å |
| 112 | S | 78.3 | Confident | 81.9 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 173.3 | 39.5 | 0 | 0 | 0 | 0 | 112.2 | T104 R109 Y110 R114 R115 F116 | T104-S112 WeakPolarHBondContact OG1-CB 3.12Å; R109-S112 PolarHBondContact O-N 3.23Å; R109-S112 PolarHBondContact O-OG 2.95Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.28Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 3.18Å; S112-R115 PolarHBondContact O-N 2.68Å; S112-F116 WeakPolarHBondContact O-CB 3.48Å; S112-F116 PolarHBondContact O-N 3.28Å |
| 113 | L | 77.9 | Confident | 82 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.8 | -169.8 | 150 | 0 | 0 | 0 | 111.7 | T104 R109 Y110 F116 Y117 Y181 V185 | T104-L113 HydrophobicContact CG2-CB 3.96Å; R109-L113 PolarHBondContact O-N 3.46Å; Y110-L113 WeakPolarHBondContact O-CB 3.44Å; Y110-L113 PolarHBondContact O-N 3.2Å; Y110-L113 VanDerWaalsContact O-N 3.16Å; L113-F116 WeakPolarHBondContact O-CB 3.44Å; L113-F116 PolarHBondContact O-N 2.91Å; L113-Y117 WeakPolarHBondContact O-CB 3.22Å; L113-Y117 PolarHBondContact O-N 3.46Å; L113-Y181 HydrophobicContact CD1-CD1 4.01Å; L113-Y181 HydrophobicContact CD1-CE1 4.22Å; L113-Y181 HydrophobicContact CD2-CD1 4.49Å; L113-Y181 HydrophobicContact CG-CD1 4.39Å; L113-V185 HydrophobicContact CD2-CG2 3.42Å; L113-V185 VanDerWaalsContact CD2-CG2 3.42Å |
| 114 | R | 79.2 | Confident | 82.2 | Confident | 132 Ų | 132 | 62 Ų | 62 | 50% | 0.498 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.9 | -172.5 | -180 | 179.2 | -174.7 | 1.6 | 112 | Y110 S112 F116 Y117 T118 | Y110-R114 PolarHBondContact O-N 3.36Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 3.18Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 2.88Å; R114-Y117 PolarHBondContact O-N 3.2Å; R114-T118 PolarHBondContact O-N 2.89Å; R114-T118 PolarHBondContact O-OG1 3.45Å |
| 115 | R | 83.2 | Confident | 82.6 | Confident | 180 Ų | 180 | 66.8 Ų | 66.8 | 68% | 0.679 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 176.8 | -72.4 | 178.9 | -179.3 | -170.8 | -0.1 | 111.6 | T111 S112 T118 S119 | T111-R115 WeakPolarHBondContact O-CG 3.46Å; T111-R115 PolarHBondContact O-N 3.42Å; S112-R115 PolarHBondContact O-N 2.68Å; R115-T118 PolarHBondContact O-N 2.87Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.92Å |
| 116 | F | 86.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.2 | 172.8 | -106.3 | 0 | 0 | 0 | 111.7 | L38 L41 F45 T97 A101 S112 L113 R114 T118 S119 L120 Y181 | L38-F116 HydrophobicContact CD1-CD1 4.42Å; L38-F116 HydrophobicContact CD1-CE1 3.95Å; L38-F116 HydrophobicContact CD1-CZ 4.22Å; L41-F116 HydrophobicContact CD2-CE1 4.06Å; L41-F116 HydrophobicContact CD2-CE2 4.45Å; L41-F116 HydrophobicContact CD2-CZ 3.46Å; L41-F116 VanDerWaalsContact CD2-CZ 3.46Å; F45-F116 HydrophobicContact CE2-CZ 4.31Å; T97-F116 HydrophobicContact CG2-CD2 3.93Å; T97-F116 HydrophobicContact CG2-CE2 3.57Å; A101-F116 HydrophobicContact CB-CD2 3.87Å; A101-F116 HydrophobicContact CB-CE2 3.52Å; A101-F116 HydrophobicContact CB-CZ 4.1Å; S112-F116 WeakPolarHBondContact O-CB 3.48Å; S112-F116 PolarHBondContact O-N 3.28Å; L113-F116 WeakPolarHBondContact O-CB 3.44Å; L113-F116 PolarHBondContact O-N 2.91Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 2.88Å; F116-T118 PolarHBondContact O-N 2.9Å; F116-S119 WeakPolarHBondContact O-CA 3.31Å; F116-S119 VanDerWaalsContact O-CB 3.31Å; F116-S119 WeakPolarHBondContact O-CB 3.44Å; F116-S119 PolarHBondContact O-N 3.4Å; F116-S119 VanDerWaalsContact O-N 3.12Å; F116-L120 HydrophobicContact CD1-CD1 4.22Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CE1-CG 4.1Å; F116-L120 HydrophobicContact CE2-CD2 4.24Å; F116-L120 HydrophobicContact CE2-CG 4.24Å; F116-L120 HydrophobicContact CZ-CD1 3.72Å; F116-L120 HydrophobicContact CZ-CD2 3.91Å; F116-L120 HydrophobicContact CZ-CG 3.86Å; F116-L120 PolarHBondContact O-N 2.93Å; F116-Y181 AromaticContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CE2 4.19Å |
| 117 | Y | 84.7 | Confident | 83.1 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 177 | -175.6 | -99.4 | 0 | 0 | 0 | 112.7 | L113 R114 S119 L120 W121 L178 V185 | L113-Y117 WeakPolarHBondContact O-CB 3.22Å; L113-Y117 PolarHBondContact O-N 3.46Å; R114-Y117 PolarHBondContact O-N 3.2Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.28Å; Y117-L120 WeakPolarHBondContact O-CB 3.37Å; Y117-L120 PolarHBondContact O-N 2.7Å; Y117-W121 AromaticContact CD1-CD1 3.96Å; Y117-W121 AromaticContact CE1-CD1 3.59Å; Y117-W121 AromaticContact CE1-NE1 3.26Å; Y117-W121 VanDerWaalsContact CE1-NE1 3.26Å; Y117-W121 AromaticContact CZ-CD1 3.89Å; Y117-W121 AromaticContact CZ-NE1 3.21Å; Y117-W121 PolarHBondContact O-N 2.89Å; Y117-W121 PolarHBondContact OH-NE1 3.43Å; Y117-W121 VanDerWaalsContact OH-NE1 3.15Å; Y117-L178 HydrophobicContact CD2-CD2 4.16Å; Y117-L178 HydrophobicContact CE2-CD2 3.7Å; Y117-V185 HydrophobicContact CD1-CB 4.49Å; Y117-V185 HydrophobicContact CD1-CG1 3.94Å; Y117-V185 HydrophobicContact CD2-CG2 4.48Å; Y117-V185 HydrophobicContact CE1-CG1 4.2Å; Y117-V185 HydrophobicContact CG-CG1 4.4Å; Y117-V185 HydrophobicContact CG-CG2 4.21Å |
| 118 | T | 85.1 | Confident | 83.5 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 173.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | R114 R115 F116 L120 W121 L122 | R114-T118 PolarHBondContact O-N 2.89Å; R114-T118 PolarHBondContact O-OG1 3.45Å; R115-T118 PolarHBondContact O-N 2.87Å; F116-T118 PolarHBondContact O-N 2.9Å; T118-L120 PolarHBondContact O-N 3.11Å; T118-W121 PolarHBondContact O-N 2.94Å; T118-L122 PolarHBondContact O-N 3.45Å |
| 119 | S | 87.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 176 | -155.3 | 0 | 0 | 0 | 0 | 112.2 | T97 R115 F116 Y117 W121 L122 V123 | T97-S119 PolarHBondContact OG1-OG 3.44Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.92Å; F116-S119 WeakPolarHBondContact O-CA 3.31Å; F116-S119 VanDerWaalsContact O-CB 3.31Å; F116-S119 WeakPolarHBondContact O-CB 3.44Å; F116-S119 PolarHBondContact O-N 3.4Å; F116-S119 VanDerWaalsContact O-N 3.12Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.28Å; S119-W121 VanDerWaalsContact C-N 3.31Å; S119-W121 PolarHBondContact O-N 3.34Å; S119-L122 WeakPolarHBondContact O-CB 3.41Å; S119-L122 PolarHBondContact O-N 3.49Å; S119-L122 VanDerWaalsContact O-N 3.11Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.39Å |
| 120 | L | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 174.8 | -72.3 | 175.7 | 0 | 0 | 0 | 112.3 | F45 T97 F116 Y117 T118 L122 V123 L124 L178 | F45-L120 HydrophobicContact CE1-CD2 4.32Å; F45-L120 HydrophobicContact CE2-CD2 3.7Å; F45-L120 HydrophobicContact CZ-CD2 3.38Å; T97-L120 HydrophobicContact CG2-CD2 3.96Å; T97-L120 HydrophobicContact CG2-CG 4.39Å; F116-L120 HydrophobicContact CD1-CD1 4.22Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CE1-CG 4.1Å; F116-L120 HydrophobicContact CE2-CD2 4.24Å; F116-L120 HydrophobicContact CE2-CG 4.24Å; F116-L120 HydrophobicContact CZ-CD1 3.72Å; F116-L120 HydrophobicContact CZ-CD2 3.91Å; F116-L120 HydrophobicContact CZ-CG 3.86Å; F116-L120 PolarHBondContact O-N 2.93Å; Y117-L120 WeakPolarHBondContact O-CB 3.37Å; Y117-L120 PolarHBondContact O-N 2.7Å; T118-L120 PolarHBondContact O-N 3.11Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.39Å; L120-V123 PolarHBondContact O-N 2.9Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 2.69Å; L120-L178 HydrophobicContact CB-CD2 3.8Å; L120-L178 HydrophobicContact CB-CG 4.13Å; L120-L178 HydrophobicContact CD1-CD2 4.31Å; L120-L178 HydrophobicContact CD1-CG 4.39Å |
| 121 | W | 88.4 | Confident | 85.7 | Confident | 102 Ų | 102 | 56.3 Ų | 56.3 | 39% | 0.386 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 174.5 | -83.4 | 98.8 | 0 | 0 | 0 | 112.5 | Y117 T118 S119 L124 L125 L178 F195 | Y117-W121 AromaticContact CD1-CD1 3.96Å; Y117-W121 AromaticContact CE1-CD1 3.59Å; Y117-W121 AromaticContact CE1-NE1 3.26Å; Y117-W121 VanDerWaalsContact CE1-NE1 3.26Å; Y117-W121 AromaticContact CZ-CD1 3.89Å; Y117-W121 AromaticContact CZ-NE1 3.21Å; Y117-W121 PolarHBondContact O-N 2.89Å; Y117-W121 PolarHBondContact OH-NE1 3.43Å; Y117-W121 VanDerWaalsContact OH-NE1 3.15Å; T118-W121 PolarHBondContact O-N 2.94Å; S119-W121 VanDerWaalsContact C-N 3.31Å; S119-W121 PolarHBondContact O-N 3.34Å; W121-L124 HydrophobicContact CE3-CD2 4.22Å; W121-L124 HydrophobicContact CZ3-CD2 4.14Å; W121-L124 PolarHBondContact O-N 3.36Å; W121-L125 WeakPolarHBondContact O-CB 3.36Å; W121-L125 PolarHBondContact O-N 3.31Å; W121-L178 HydrophobicContact CD2-CD2 4.41Å; W121-L178 HydrophobicContact CG-CD2 4.29Å; W121-F195 HydrophobicContact CH2-CZ 4.19Å |
| 122 | L | 89.2 | Confident | 86.2 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.6 | -67.1 | 176.7 | 0 | 0 | 0 | 112.2 | L93 T118 S119 L120 L124 L125 L126 | L93-L122 HydrophobicContact CD1-CB 4.4Å; L93-L122 HydrophobicContact CD2-CB 4.11Å; T118-L122 PolarHBondContact O-N 3.45Å; S119-L122 WeakPolarHBondContact O-CB 3.41Å; S119-L122 PolarHBondContact O-N 3.49Å; S119-L122 VanDerWaalsContact O-N 3.11Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.39Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.26Å; L122-L125 PolarHBondContact O-N 3.19Å; L122-L126 PolarHBondContact O-N 2.89Å |
| 123 | V | 89 | Confident | 86.5 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 172.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L93 V94 T97 S119 L120 L126 N127 | L93-V123 HydrophobicContact CD2-CB 4.13Å; L93-V123 HydrophobicContact CD2-CG2 3.2Å; V94-V123 HydrophobicContact CG2-CG1 3.61Å; V94-V123 HydrophobicContact CG2-CG2 4.1Å; T97-V123 HydrophobicContact CG2-CG2 4.38Å; T97-V123 WeakPolarHBondContact OG1-CG2 3.3Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.39Å; L120-V123 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-N127 WeakPolarHBondContact O-CB 3.46Å; V123-N127 PolarHBondContact O-N 2.97Å; V123-N127 PolarHBondContact O-ND2 3.42Å |
| 124 | L | 90 | Very high | 86.8 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | -179 | -170.1 | 80.1 | 0 | 0 | 0 | 110.9 | L120 W121 L122 L126 N127 V128 L171 F175 L178 | L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 2.69Å; W121-L124 HydrophobicContact CE3-CD2 4.22Å; W121-L124 HydrophobicContact CZ3-CD2 4.14Å; W121-L124 PolarHBondContact O-N 3.36Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.26Å; L124-L126 PolarHBondContact O-N 2.91Å; L124-N127 PolarHBondContact O-N 3.5Å; L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 3.24Å; L124-L171 HydrophobicContact CD1-CD2 4Å; L124-F175 HydrophobicContact CD1-CE1 4Å; L124-F175 HydrophobicContact CD1-CE2 4.27Å; L124-F175 HydrophobicContact CD1-CZ 3.8Å; L124-L178 HydrophobicContact CD1-CD1 4.45Å; L124-L178 HydrophobicContact CD2-CD1 3.97Å |
| 125 | L | 90.4 | Very high | 87.1 | Confident | 109 Ų | 109 | 54.7 Ų | 54.7 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.8 | -45.5 | -179.9 | -170.3 | 151.6 | 0 | 0 | 0 | 111.3 | W121 L122 N127 V128 V129 | W121-L125 WeakPolarHBondContact O-CB 3.36Å; W121-L125 PolarHBondContact O-N 3.31Å; L122-L125 PolarHBondContact O-N 3.19Å; L125-N127 PolarHBondContact O-N 3.25Å; L125-V128 PolarHBondContact O-N 2.85Å; L125-V129 HydrophobicContact CD2-CG2 4.13Å; L125-V129 WeakPolarHBondContact O-CG2 3.32Å; L125-V129 PolarHBondContact O-N 2.95Å |
| 126 | L | 87.8 | Confident | 87.1 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 176.8 | -78.8 | 172.8 | 0 | 0 | 0 | 112.9 | L86 T90 L93 L122 V123 L124 V129 Y130 | L86-L126 WeakPolarHBondContact CD2-O 3.38Å; T90-L126 HydrophobicContact CG2-CB 3.8Å; L93-L126 HydrophobicContact CB-CD1 4.43Å; L93-L126 HydrophobicContact CD1-CD1 3.69Å; L93-L126 HydrophobicContact CG-CD1 4.48Å; L122-L126 PolarHBondContact O-N 2.89Å; V123-L126 PolarHBondContact O-N 3.45Å; L124-L126 PolarHBondContact O-N 2.91Å; L126-V129 PolarHBondContact O-N 2.89Å; L126-Y130 WeakPolarHBondContact O-CB 3.32Å; L126-Y130 PolarHBondContact O-N 3.43Å |
| 127 | N | 87.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 173.5 | -88.5 | -48.8 | 0 | 0 | 0 | 111.2 | V123 L124 L125 V129 Y130 W131 S167 L171 | V123-N127 WeakPolarHBondContact O-CB 3.46Å; V123-N127 PolarHBondContact O-N 2.97Å; V123-N127 PolarHBondContact O-ND2 3.42Å; L124-N127 PolarHBondContact O-N 3.5Å; L125-N127 PolarHBondContact O-N 3.25Å; N127-V129 VanDerWaalsContact C-N 3.34Å; N127-V129 PolarHBondContact O-N 3.36Å; N127-Y130 WeakPolarHBondContact O-CB 3.34Å; N127-Y130 PolarHBondContact O-N 3.47Å; N127-W131 PolarHBondContact O-N 3.01Å; N127-S167 PolarHBondContact OD1-OG 3.44Å; N127-L171 HydrophobicContact CB-CD2 3.74Å |
| 128 | V | 88.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 51 Ų | 51 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 111 | L124 L125 Y130 W131 C132 | L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 3.24Å; L125-V128 PolarHBondContact O-N 2.85Å; V128-Y130 VanDerWaalsContact C-N 3.32Å; V128-Y130 PolarHBondContact O-N 2.97Å; V128-W131 PolarHBondContact O-N 3.4Å; V128-C132 PolarHBondContact O-N 3.37Å; V128-C132 PolarHBondContact O-SG 3.45Å |
| 129 | V | 89.1 | Confident | 86.3 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L86 L125 L126 N127 W131 C132 C133 | L86-V129 HydrophobicContact CD2-CB 4.45Å; L86-V129 HydrophobicContact CD2-CG1 4.2Å; L125-V129 HydrophobicContact CD2-CG2 4.13Å; L125-V129 WeakPolarHBondContact O-CG2 3.32Å; L125-V129 PolarHBondContact O-N 2.95Å; L126-V129 PolarHBondContact O-N 2.89Å; N127-V129 VanDerWaalsContact C-N 3.34Å; N127-V129 PolarHBondContact O-N 3.36Å; V129-W131 PolarHBondContact O-N 2.94Å; V129-C132 WeakPolarHBondContact O-CB 3.37Å; V129-C132 PolarHBondContact O-N 3.18Å; V129-C133 PolarHBondContact O-N 2.76Å; V129-C133 PolarHBondContact O-SG 2.9Å; V129-C133 VanDerWaalsContact O-SG 3.32Å |
| 130 | Y | 86.1 | Confident | 85.7 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 175.4 | 179.4 | -114.3 | 0 | 0 | 0 | 112.3 | L86 P87 L126 N127 V128 C132 C133 L134 T163 S167 | L86-Y130 HydrophobicContact CB-CD2 4.17Å; L86-Y130 HydrophobicContact CD2-CD2 4.25Å; L86-Y130 HydrophobicContact CD2-CG 4.37Å; P87-Y130 HydrophobicContact CG-CD2 4.2Å; P87-Y130 HydrophobicContact CG-CE2 3.53Å; L126-Y130 WeakPolarHBondContact O-CB 3.32Å; L126-Y130 PolarHBondContact O-N 3.43Å; N127-Y130 WeakPolarHBondContact O-CB 3.34Å; N127-Y130 PolarHBondContact O-N 3.47Å; V128-Y130 VanDerWaalsContact C-N 3.32Å; V128-Y130 PolarHBondContact O-N 2.97Å; Y130-C132 VanDerWaalsContact C-N 3.31Å; Y130-C132 PolarHBondContact O-N 3.27Å; Y130-C133 WeakPolarHBondContact O-CB 3.42Å; Y130-C133 PolarHBondContact O-N 2.81Å; Y130-C133 VanDerWaalsContact O-N 3.15Å; Y130-L134 HydrophobicContact CE1-CD1 3.99Å; Y130-L134 WeakPolarHBondContact O-CB 3.38Å; Y130-L134 PolarHBondContact O-N 2.86Å; Y130-T163 WeakPolarHBondContact OH-CG2 3.39Å; Y130-S167 WeakPolarHBondContact CD1-OG 3.3Å |
| 131 | W | 86.2 | Confident | 84.7 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 178.7 | -83.5 | 96.8 | 0 | 0 | 0 | 111.7 | N127 V128 V129 L134 I135 S167 | N127-W131 PolarHBondContact O-N 3.01Å; V128-W131 PolarHBondContact O-N 3.4Å; V129-W131 PolarHBondContact O-N 2.94Å; W131-L134 PolarHBondContact O-N 3.35Å; W131-I135 WeakPolarHBondContact O-CB 3.31Å; W131-I135 WeakPolarHBondContact O-CD1 3.5Å; W131-I135 WeakPolarHBondContact O-CG1 3.41Å; W131-I135 PolarHBondContact O-N 2.85Å; W131-S167 PolarHBondContact NE1-OG 2.86Å |
| 132 | C | 87.4 | Confident | 83.6 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 53% | 0.527 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 172.2 | -74.8 | 0 | 0 | 0 | 0 | 112.2 | V128 V129 Y130 L134 I135 A136 | V128-C132 PolarHBondContact O-N 3.37Å; V128-C132 PolarHBondContact O-SG 3.45Å; V129-C132 WeakPolarHBondContact O-CB 3.37Å; V129-C132 PolarHBondContact O-N 3.18Å; Y130-C132 VanDerWaalsContact C-N 3.31Å; Y130-C132 PolarHBondContact O-N 3.27Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 PolarHBondContact O-N 2.9Å; C132-I135 PolarHBondContact O-N 3.5Å; C132-A136 WeakPolarHBondContact O-CB 3.04Å; C132-A136 PolarHBondContact O-N 2.81Å |
| 133 | C | 84.4 | Confident | 82 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | V129 Y130 A136 A137 | V129-C133 PolarHBondContact O-N 2.76Å; V129-C133 PolarHBondContact O-SG 2.9Å; V129-C133 VanDerWaalsContact O-SG 3.32Å; Y130-C133 WeakPolarHBondContact O-CB 3.42Å; Y130-C133 PolarHBondContact O-N 2.81Å; Y130-C133 VanDerWaalsContact O-N 3.15Å; C133-A136 PolarHBondContact O-N 2.94Å; C133-A137 WeakPolarHBondContact O-CB 3.21Å; C133-A137 PolarHBondContact O-N 3.5Å |
| 134 | L | 83.5 | Confident | 80.1 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 178.3 | -170.8 | 159.6 | 0 | 0 | 0 | 110.9 | Y130 W131 C132 A136 A137 I138 A164 | Y130-L134 HydrophobicContact CE1-CD1 3.99Å; Y130-L134 WeakPolarHBondContact O-CB 3.38Å; Y130-L134 PolarHBondContact O-N 2.86Å; W131-L134 PolarHBondContact O-N 3.35Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 PolarHBondContact O-N 2.9Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 2.91Å; L134-A137 PolarHBondContact O-N 2.81Å; L134-I138 HydrophobicContact CD2-CD1 3.43Å; L134-I138 VanDerWaalsContact CD2-CD1 3.43Å; L134-I138 HydrophobicContact CD2-CG1 4.1Å; L134-I138 WeakPolarHBondContact O-CG1 3.2Å; L134-I138 PolarHBondContact O-N 2.87Å; L134-A164 HydrophobicContact CD1-CB 3.48Å; L134-A164 VanDerWaalsContact CD1-CB 3.48Å |
| 135 | I | 85.2 | Confident | 78.1 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.1 | -67.1 | 161.8 | 0 | 0 | 0 | 110.3 | W131 C132 A137 I138 S139 | W131-I135 WeakPolarHBondContact O-CB 3.31Å; W131-I135 WeakPolarHBondContact O-CD1 3.5Å; W131-I135 WeakPolarHBondContact O-CG1 3.41Å; W131-I135 PolarHBondContact O-N 2.85Å; C132-I135 PolarHBondContact O-N 3.5Å; I135-A137 PolarHBondContact O-N 3.23Å; I135-I138 PolarHBondContact O-N 3.37Å; I135-S139 WeakPolarHBondContact O-CB 3.44Å; I135-S139 PolarHBondContact O-N 3.46Å; I135-S139 PolarHBondContact O-OG 3.41Å |
| 136 | A | 83.5 | Confident | 76 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C132 C133 L134 I138 S139 Y140 | C132-A136 WeakPolarHBondContact O-CB 3.04Å; C132-A136 PolarHBondContact O-N 2.81Å; C133-A136 PolarHBondContact O-N 2.94Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 2.91Å; A136-I138 VanDerWaalsContact C-N 3.34Å; A136-I138 PolarHBondContact O-N 3.48Å; A136-S139 WeakPolarHBondContact CA-OG 3.23Å; A136-S139 PolarHBondContact O-N 2.91Å; A136-S139 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-OG 3.46Å; A136-Y140 VanDerWaalsContact O-CD2 3.27Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å; A136-Y140 PolarHBondContact O-N 2.9Å |
| 137 | A | 79.6 | Confident | 74 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.017 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | C133 L134 I135 N142 F143 | C133-A137 WeakPolarHBondContact O-CB 3.21Å; C133-A137 PolarHBondContact O-N 3.5Å; L134-A137 PolarHBondContact O-N 2.81Å; I135-A137 PolarHBondContact O-N 3.23Å; A137-N142 PolarHBondContact O-N 3.21Å; A137-F143 HydrophobicContact CB-CE2 3.88Å |
| 138 | I | 80.5 | Confident | 72.2 | Confident | 95 Ų | 95 | 73.4 Ų | 73.4 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 171.5 | -65.5 | 174.2 | 0 | 0 | 0 | 110.3 | L134 I135 A136 Y140 G141 F143 | L134-I138 HydrophobicContact CD2-CD1 3.43Å; L134-I138 VanDerWaalsContact CD2-CD1 3.43Å; L134-I138 HydrophobicContact CD2-CG1 4.1Å; L134-I138 WeakPolarHBondContact O-CG1 3.2Å; L134-I138 PolarHBondContact O-N 2.87Å; I135-I138 PolarHBondContact O-N 3.37Å; A136-I138 VanDerWaalsContact C-N 3.34Å; A136-I138 PolarHBondContact O-N 3.48Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 2.96Å; I138-G141 PolarHBondContact O-N 3.15Å; I138-F143 HydrophobicContact CB-CD2 4.2Å; I138-F143 HydrophobicContact CB-CE2 4.29Å; I138-F143 HydrophobicContact CG1-CD2 3.61Å; I138-F143 HydrophobicContact CG1-CE2 3.38Å; I138-F143 HydrophobicContact CG1-CG 4.39Å; I138-F143 HydrophobicContact CG1-CZ 4.05Å |
| 139 | S | 78.8 | Confident | 70.4 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65 | -31.7 | -176.5 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | I135 A136 G141 | I135-S139 WeakPolarHBondContact O-CB 3.44Å; I135-S139 PolarHBondContact O-N 3.46Å; I135-S139 PolarHBondContact O-OG 3.41Å; A136-S139 WeakPolarHBondContact CA-OG 3.23Å; A136-S139 PolarHBondContact O-N 2.91Å; A136-S139 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-OG 3.46Å; S139-G141 PolarHBondContact O-N 3.31Å |
| 140 | Y | 76.3 | Confident | 69 | Low | 174 Ų | 174 | 76.7 Ų | 76.7 | 68% | 0.682 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -3.9 | 175.8 | -86.8 | -72.6 | 0 | 0 | 0 | 113.5 | L80 A136 I138 N142 | L80-Y140 HydrophobicContact CD2-CD2 4.01Å; L80-Y140 HydrophobicContact CD2-CE2 4.47Å; A136-Y140 VanDerWaalsContact O-CD2 3.27Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å; A136-Y140 PolarHBondContact O-N 2.9Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 2.96Å; Y140-N142 PolarHBondContact O-N 3.44Å |
| 141 | G | 67 | Low | 67.9 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 32% | 0.32 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 13.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I138 S139 F143 S144 | I138-G141 PolarHBondContact O-N 3.15Å; S139-G141 PolarHBondContact O-N 3.31Å; G141-F143 PolarHBondContact O-N 3.49Å; G141-S144 WeakPolarHBondContact O-CB 3.35Å; G141-S144 PolarHBondContact O-N 3.44Å; G141-S144 PolarHBondContact O-OG 3.39Å |
| 142 | N | 64.9 | Low | 66.8 | Low | 74 Ų | 74 | 83.9 Ų | 83.9 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -0.3 | 175.6 | -78.6 | -7 | 0 | 0 | 0 | 113.7 | A81 A137 Y140 | A81-N142 HydrophobicContact CB-CB 4.1Å; A137-N142 PolarHBondContact O-N 3.21Å; Y140-N142 PolarHBondContact O-N 3.44Å |
| 143 | F | 56.7 | Low | 65.8 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -8.4 | 169.8 | -74.2 | -93.7 | 0 | 0 | 0 | 113.4 | A137 I138 G141 S145 R160 | A137-F143 HydrophobicContact CB-CE2 3.88Å; I138-F143 HydrophobicContact CB-CD2 4.2Å; I138-F143 HydrophobicContact CB-CE2 4.29Å; I138-F143 HydrophobicContact CG1-CD2 3.61Å; I138-F143 HydrophobicContact CG1-CE2 3.38Å; I138-F143 HydrophobicContact CG1-CG 4.39Å; I138-F143 HydrophobicContact CG1-CZ 4.05Å; G141-F143 PolarHBondContact O-N 3.49Å; F143-S145 PolarHBondContact O-N 2.93Å; F143-R160 HydrophobicContact CE1-CB 4.16Å |
| 144 | S | 48.4 | Very low | 65.1 | Low | 98 Ų | 98 | 85.1 Ų | 85.1 | 69% | 0.685 | 48% | 0.482 | S | S | * | . | trans | -73.1 | 82.4 | 169.6 | 70.3 | 0 | 0 | 0 | 0 | 108 | G141 D146 | G141-S144 WeakPolarHBondContact O-CB 3.35Å; G141-S144 PolarHBondContact O-N 3.44Å; G141-S144 PolarHBondContact O-OG 3.39Å; S144-D146 PolarHBondContact O-N 3.45Å | ||
| 145 | S | 49.2 | Very low | 64.6 | Low | 40 Ų | 40 | 86.1 Ų | 86.1 | 28% | 0.28 | 49% | 0.491 | S | S | . | . | trans | -58.2 | 125.7 | 156 | 52.9 | 0 | 0 | 0 | 0 | 106.5 | F143 T147 | F143-S145 PolarHBondContact O-N 2.93Å; S145-T147 PolarHBondContact O-N 2.9Å | ||
| 146 | D | 45 | Very low | 64 | Low | 139 Ų | 139 | 83 Ų | 83 | 74% | 0.743 | 47% | 0.474 | S | S | * | . | trans | -45.8 | 113.6 | 155.2 | -79.7 | -38.1 | 0 | 0 | 0 | 107.2 | S144 S148 | S144-D146 PolarHBondContact O-N 3.45Å; D146-S148 PolarHBondContact O-N 3.48Å | ||
| 147 | T | 46.1 | Very low | 63.7 | Low | 147 Ų | 147 | 83.8 Ų | 83.8 | 90% | 0.902 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -60.4 | -4 | -172.9 | -20.9 | 0 | 0 | 0 | 0 | 112.7 | S145 | S145-T147 PolarHBondContact O-N 2.9Š|
| 148 | S | 49.7 | Very low | 63.8 | Low | 88 Ų | 88 | 87.1 Ų | 87.1 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -90.7 | 101.3 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | D146 | D146-S148 PolarHBondContact O-N 3.48Š|
| 149 | S | 50.8 | Low | 63.8 | Low | 99 Ų | 99 | 83.6 Ų | 83.6 | 69% | 0.692 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 73.9 | 59.3 | 135 | 77.1 | 0 | 0 | 0 | 0 | 120.8 | ||
| 150 | N | 58.9 | Low | 63.9 | Low | 115 Ų | 115 | 80.8 Ų | 80.8 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | trans | -150.8 | 131.4 | 148.1 | -96.4 | -28.3 | 0 | 0 | 0 | 112.6 | I152 S153 | N150-I152 PolarHBondContact O-N 3.32Å; N150-S153 PolarHBondContact O-N 2.84Å; N150-S153 PolarHBondContact O-OG 3.42Å | ||
| 151 | K | 63.9 | Low | 64.3 | Low | 195 Ų | 195 | 76.4 Ų | 76.4 | 85% | 0.848 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -54.7 | -25.1 | 174.9 | -71.7 | 179.3 | 178.6 | 176.9 | 0 | 112.4 | S155 | K151-S155 PolarHBondContact O-N 3.15Å |
| 152 | I | 63.3 | Low | 65.2 | Low | 56 Ų | 56 | 81 Ų | 81 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.6 | -41.5 | -176.2 | -54.9 | 175.1 | 0 | 0 | 0 | 111.5 | I63 N150 N154 S155 H156 | I63-I152 HydrophobicContact CG2-CG2 4.34Å; N150-I152 PolarHBondContact O-N 3.32Å; I152-N154 VanDerWaalsContact C-N 3.33Å; I152-N154 PolarHBondContact O-N 3.28Å; I152-S155 WeakPolarHBondContact CA-OG 3.21Å; I152-S155 WeakPolarHBondContact O-CA 3.42Å; I152-S155 WeakPolarHBondContact O-CB 3.4Å; I152-S155 PolarHBondContact O-N 3.5Å; I152-S155 PolarHBondContact O-OG 2.85Å; I152-H156 PolarHBondContact O-CD2 2.92Å; I152-H156 VanDerWaalsContact O-CD2 3.22Å; I152-H156 PolarHBondContact O-N 3.43Å; I152-H156 VanDerWaalsContact O-N 3.09Å |
| 153 | S | 65.5 | Low | 66.3 | Low | 37 Ų | 37 | 77.6 Ų | 77.6 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | N150 S155 H156 I157 | N150-S153 PolarHBondContact O-N 2.84Å; N150-S153 PolarHBondContact O-OG 3.42Å; S153-S155 VanDerWaalsContact C-N 3.27Å; S153-S155 PolarHBondContact O-N 3.32Å; S153-H156 PolarHBondContact O-N 2.93Å; S153-I157 PolarHBondContact O-N 3.29Å |
| 154 | N | 71.4 | Confident | 67.7 | Low | 98 Ų | 98 | 75.8 Ų | 75.8 | 52% | 0.524 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 172.2 | -69.4 | -9 | 0 | 0 | 0 | 111.5 | I152 H156 I157 V158 | I152-N154 VanDerWaalsContact C-N 3.33Å; I152-N154 PolarHBondContact O-N 3.28Å; N154-H156 PolarHBondContact O-N 3.31Å; N154-I157 PolarHBondContact O-N 2.89Å; N154-V158 WeakPolarHBondContact O-CB 3.47Å; N154-V158 WeakPolarHBondContact O-CG2 3.48Å; N154-V158 PolarHBondContact O-N 3.28Å |
| 155 | S | 71.7 | Confident | 69.6 | Low | 44 Ų | 44 | 74.9 Ų | 74.9 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.9 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | I63 K151 I152 S153 V158 T159 | I63-S155 WeakPolarHBondContact CG2-OG 3.46Å; K151-S155 PolarHBondContact O-N 3.15Å; I152-S155 WeakPolarHBondContact CA-OG 3.21Å; I152-S155 WeakPolarHBondContact O-CA 3.42Å; I152-S155 WeakPolarHBondContact O-CB 3.4Å; I152-S155 PolarHBondContact O-N 3.5Å; I152-S155 PolarHBondContact O-OG 2.85Å; S153-S155 VanDerWaalsContact C-N 3.27Å; S153-S155 PolarHBondContact O-N 3.32Å; S155-V158 PolarHBondContact O-N 2.86Å; S155-T159 WeakPolarHBondContact O-CG2 3.46Å; S155-T159 PolarHBondContact O-N 2.84Å; S155-T159 PolarHBondContact O-OG1 2.88Å |
| 156 | H | 73 | Confident | 71.5 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 17% | 0.171 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.6 | -75.6 | -76.4 | 0 | 0 | 0 | 112.8 | I63 I152 S153 N154 V158 T159 R160 | I63-H156 WeakPolarHBondContact CG2-CE1 3.16Å; I63-H156 VanDerWaalsContact CG2-NE2 3.3Å; I63-H156 WeakPolarHBondContact CG2-NE2 3.31Å; I152-H156 PolarHBondContact O-CD2 2.92Å; I152-H156 VanDerWaalsContact O-CD2 3.22Å; I152-H156 PolarHBondContact O-N 3.43Å; I152-H156 VanDerWaalsContact O-N 3.09Å; S153-H156 PolarHBondContact O-N 2.93Å; N154-H156 PolarHBondContact O-N 3.31Å; H156-V158 VanDerWaalsContact C-N 3.33Å; H156-T159 PolarHBondContact O-OG1 3.46Å; H156-R160 WeakPolarHBondContact O-CB 3.48Å; H156-R160 VanDerWaalsContact O-CG 3.23Å; H156-R160 WeakPolarHBondContact O-CG 3.36Å; H156-R160 PolarHBondContact O-N 3Å; H156-R160 VanDerWaalsContact O-N 3.11Å |
| 157 | I | 77.5 | Confident | 73.5 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 179.1 | -64.5 | 169.2 | 0 | 0 | 0 | 109.7 | S153 N154 R160 V161 | S153-I157 PolarHBondContact O-N 3.29Å; N154-I157 PolarHBondContact O-N 2.89Å; I157-R160 PolarHBondContact O-N 3.44Å; I157-V161 HydrophobicContact CG2-CG2 4.45Å; I157-V161 VanDerWaalsContact O-CG2 3.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.21Å; I157-V161 PolarHBondContact O-N 2.84Å |
| 158 | V | 81.5 | Confident | 75.5 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | N154 S155 H156 R160 V161 F162 | N154-V158 WeakPolarHBondContact O-CB 3.47Å; N154-V158 WeakPolarHBondContact O-CG2 3.48Å; N154-V158 PolarHBondContact O-N 3.28Å; S155-V158 PolarHBondContact O-N 2.86Å; H156-V158 VanDerWaalsContact C-N 3.33Å; V158-R160 VanDerWaalsContact C-N 3.35Å; V158-R160 PolarHBondContact O-N 3.4Å; V158-V161 PolarHBondContact O-N 2.72Å; V158-F162 HydrophobicContact CG1-CD2 3.54Å; V158-F162 HydrophobicContact CG1-CE2 3.38Å; V158-F162 WeakPolarHBondContact O-CD2 3.43Å; V158-F162 PolarHBondContact O-N 2.91Å |
| 159 | T | 81.3 | Confident | 77.3 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 13% | 0.129 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 178.2 | 52.7 | 0 | 0 | 0 | 0 | 113 | D59 I63 S155 H156 F162 T163 | D59-T159 PolarHBondContact OD1-OG1 3.32Å; I63-T159 HydrophobicContact CD1-CG2 3.4Å; I63-T159 VanDerWaalsContact CD1-CG2 3.4Å; I63-T159 WeakPolarHBondContact CD1-OG1 3.46Å; I63-T159 HydrophobicContact CG1-CG2 4.39Å; S155-T159 WeakPolarHBondContact O-CG2 3.46Å; S155-T159 PolarHBondContact O-N 2.84Å; S155-T159 PolarHBondContact O-OG1 2.88Å; H156-T159 PolarHBondContact O-OG1 3.46Å; T159-F162 PolarHBondContact O-N 3.22Å; T159-T163 WeakPolarHBondContact O-CB 3.32Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 PolarHBondContact O-OG1 3.1Å |
| 160 | R | 80.6 | Confident | 79 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 175.1 | -72.6 | 174.8 | -172.7 | 167.1 | 3.5 | 112.3 | A81 N82 F143 H156 I157 V158 T163 A164 | A81-R160 VanDerWaalsContact CB-CZ 3.45Å; A81-R160 PolarHBondContact O-NE 3.41Å; N82-R160 PolarHBondContact OD1-NE 3.31Å; N82-R160 PolarHBondContact OD1-NH2 2.95Å; F143-R160 HydrophobicContact CE1-CB 4.16Å; H156-R160 WeakPolarHBondContact O-CB 3.48Å; H156-R160 VanDerWaalsContact O-CG 3.23Å; H156-R160 WeakPolarHBondContact O-CG 3.36Å; H156-R160 PolarHBondContact O-N 3Å; H156-R160 VanDerWaalsContact O-N 3.11Å; I157-R160 PolarHBondContact O-N 3.44Å; V158-R160 VanDerWaalsContact C-N 3.35Å; V158-R160 PolarHBondContact O-N 3.4Å; R160-T163 PolarHBondContact O-N 3.24Å; R160-A164 WeakPolarHBondContact O-CB 3.4Å; R160-A164 PolarHBondContact O-N 3.06Å |
| 161 | V | 83.8 | Confident | 80.4 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | I157 V158 T163 A164 V165 | I157-V161 HydrophobicContact CG2-CG2 4.45Å; I157-V161 VanDerWaalsContact O-CG2 3.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.21Å; I157-V161 PolarHBondContact O-N 2.84Å; V158-V161 PolarHBondContact O-N 2.72Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.96Å; V161-A164 PolarHBondContact O-N 3.36Å; V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 VanDerWaalsContact O-CG2 3.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.33Å; V161-V165 PolarHBondContact O-N 2.94Å |
| 162 | F | 87.2 | Confident | 81.5 | Confident | 127 Ų | 127 | 48.2 Ų | 48.2 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.4 | -40.1 | 176 | -81.8 | -63.4 | 0 | 0 | 0 | 112.7 | L55 V158 T159 V165 N166 | L55-F162 HydrophobicContact CD2-CB 4.25Å; V158-F162 HydrophobicContact CG1-CD2 3.54Å; V158-F162 HydrophobicContact CG1-CE2 3.38Å; V158-F162 WeakPolarHBondContact O-CD2 3.43Å; V158-F162 PolarHBondContact O-N 2.91Å; T159-F162 PolarHBondContact O-N 3.22Å; F162-V165 PolarHBondContact O-N 3.24Å; F162-N166 WeakPolarHBondContact O-CB 3.42Å; F162-N166 PolarHBondContact O-N 3.03Å |
| 163 | T | 86.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | P87 Y130 T159 R160 V161 N166 S167 | P87-T163 HydrophobicContact CB-CG2 3.7Å; P87-T163 HydrophobicContact CG-CG2 3.73Å; Y130-T163 WeakPolarHBondContact OH-CG2 3.39Å; T159-T163 WeakPolarHBondContact O-CB 3.32Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 PolarHBondContact O-OG1 3.1Å; R160-T163 PolarHBondContact O-N 3.24Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.96Å; T163-N166 PolarHBondContact O-N 3.38Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 2.7Å |
| 164 | A | 86.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L134 R160 V161 S167 G168 | L134-A164 HydrophobicContact CD1-CB 3.48Å; L134-A164 VanDerWaalsContact CD1-CB 3.48Å; R160-A164 WeakPolarHBondContact O-CB 3.4Å; R160-A164 PolarHBondContact O-N 3.06Å; V161-A164 PolarHBondContact O-N 3.36Å; A164-S167 PolarHBondContact O-N 3.39Å; A164-G168 PolarHBondContact O-N 2.98Å |
| 165 | V | 89.1 | Confident | 84.4 | Confident | 79 Ų | 79 | 44.5 Ų | 44.5 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | V161 F162 G168 L169 | V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 VanDerWaalsContact O-CG2 3.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.33Å; V161-V165 PolarHBondContact O-N 2.94Å; F162-V165 PolarHBondContact O-N 3.24Å; V165-G168 PolarHBondContact O-N 3.18Å; V165-L169 HydrophobicContact CG1-CD1 3.97Å; V165-L169 HydrophobicContact CG1-CG 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.32Å; V165-L169 PolarHBondContact O-N 2.87Å |
| 166 | N | 89.1 | Confident | 85.1 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 9% | 0.086 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 177.9 | -171.5 | 68.9 | 0 | 0 | 0 | 112.2 | F48 S52 L55 F162 T163 L169 S170 | F48-N166 PolarHBondContact O-ND2 3.14Å; S52-N166 WeakPolarHBondContact CA-ND2 3.42Å; S52-N166 VanDerWaalsContact CB-ND2 3.34Å; S52-N166 WeakPolarHBondContact CB-ND2 3.36Å; S52-N166 PolarHBondContact N-ND2 2.95Å; S52-N166 VanDerWaalsContact N-ND2 3.18Å; L55-N166 HydrophobicContact CD1-CB 3.75Å; F162-N166 WeakPolarHBondContact O-CB 3.42Å; F162-N166 PolarHBondContact O-N 3.03Å; T163-N166 PolarHBondContact O-N 3.38Å; N166-L169 PolarHBondContact O-N 3.33Å; N166-S170 WeakPolarHBondContact O-CB 3.46Å; N166-S170 PolarHBondContact O-N 3.11Å |
| 167 | S | 86.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 172.1 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | N127 Y130 W131 T163 A164 L169 S170 L171 | N127-S167 PolarHBondContact OD1-OG 3.44Å; Y130-S167 WeakPolarHBondContact CD1-OG 3.3Å; W131-S167 PolarHBondContact NE1-OG 2.86Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 2.7Å; A164-S167 PolarHBondContact O-N 3.39Å; S167-L169 PolarHBondContact O-N 3.01Å; S167-S170 PolarHBondContact O-N 3.02Å; S167-S170 PolarHBondContact O-OG 2.99Å; S167-L171 PolarHBondContact O-N 2.99Å |
| 168 | G | 87.8 | Confident | 86 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 25% | 0.247 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A164 V165 S170 L171 | A164-G168 PolarHBondContact O-N 2.98Å; V165-G168 PolarHBondContact O-N 3.18Å; G168-S170 VanDerWaalsContact C-N 3.32Å; G168-S170 PolarHBondContact O-N 3.18Å; G168-L171 WeakPolarHBondContact O-CB 3.27Å; G168-L171 PolarHBondContact O-N 3.4Å |
| 169 | L | 88.6 | Confident | 86.1 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.9 | -34.9 | 176.2 | -70.9 | 171.8 | 0 | 0 | 0 | 112.1 | F48 V165 N166 S167 L171 I172 P173 | F48-L169 HydrophobicContact CD1-CB 4.39Å; F48-L169 HydrophobicContact CE1-CB 3.84Å; F48-L169 HydrophobicContact CE1-CD1 4.39Å; F48-L169 HydrophobicContact CZ-CB 4.28Å; V165-L169 HydrophobicContact CG1-CD1 3.97Å; V165-L169 HydrophobicContact CG1-CG 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.32Å; V165-L169 PolarHBondContact O-N 2.87Å; N166-L169 PolarHBondContact O-N 3.33Å; S167-L169 PolarHBondContact O-N 3.01Å; L169-L171 PolarHBondContact O-N 3.38Å; L169-I172 HydrophobicContact CD2-CD1 4Å; L169-I172 WeakPolarHBondContact O-CB 3.45Å; L169-I172 PolarHBondContact O-N 3.36Å; L169-P173 WeakPolarHBondContact O-CD 3.23Å |
| 170 | S | 86.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -20.6 | 176.5 | 82.5 | 0 | 0 | 0 | 0 | 113.6 | N166 S167 G168 I172 P173 C174 | N166-S170 WeakPolarHBondContact O-CB 3.46Å; N166-S170 PolarHBondContact O-N 3.11Å; S167-S170 PolarHBondContact O-N 3.02Å; S167-S170 PolarHBondContact O-OG 2.99Å; G168-S170 VanDerWaalsContact C-N 3.32Å; G168-S170 PolarHBondContact O-N 3.18Å; S170-I172 VanDerWaalsContact C-N 3.31Å; S170-I172 PolarHBondContact O-N 3.33Å; S170-P173 VanDerWaalsContact O-CD 3.3Å; S170-P173 WeakPolarHBondContact O-CD 3.03Å; S170-P173 WeakPolarHBondContact O-CG 3.47Å; S170-C174 PolarHBondContact O-N 2.88Å |
| 171 | L | 87.1 | Confident | 85.6 | Confident | 33 Ų | 33 | 44 Ų | 44 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.2 | -29.6 | 174.4 | -69.9 | 173.9 | 0 | 0 | 0 | 112.1 | L124 N127 S167 G168 L169 C174 F175 | L124-L171 HydrophobicContact CD1-CD2 4Å; N127-L171 HydrophobicContact CB-CD2 3.74Å; S167-L171 PolarHBondContact O-N 2.99Å; G168-L171 WeakPolarHBondContact O-CB 3.27Å; G168-L171 PolarHBondContact O-N 3.4Å; L169-L171 PolarHBondContact O-N 3.38Å; L171-C174 CarbonylContact O-C 3.59Å; L171-C174 WeakPolarHBondContact O-CA 3.41Å; L171-C174 WeakPolarHBondContact O-CB 3.2Å; L171-C174 PolarHBondContact O-N 3.5Å; L171-C174 VanDerWaalsContact O-N 3.13Å; L171-F175 HydrophobicContact CB-CD2 4.06Å; L171-F175 HydrophobicContact CB-CE2 3.98Å; L171-F175 HydrophobicContact CD2-CE2 4.35Å; L171-F175 WeakPolarHBondContact O-CD2 3.5Å; L171-F175 PolarHBondContact O-N 2.95Å |
| 172 | I | 88.6 | Confident | 85.3 | Confident | 103 Ų | 103 | 40.3 Ų | 40.3 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.4 | -54.8 | -179.3 | -57.4 | 171.1 | 0 | 0 | 0 | 111.6 | L169 S170 C174 F175 T176 | L169-I172 HydrophobicContact CD2-CD1 4Å; L169-I172 WeakPolarHBondContact O-CB 3.45Å; L169-I172 PolarHBondContact O-N 3.36Å; S170-I172 VanDerWaalsContact C-N 3.31Å; S170-I172 PolarHBondContact O-N 3.33Å; I172-C174 VanDerWaalsContact C-N 3.26Å; I172-C174 PolarHBondContact O-N 3.19Å; I172-F175 PolarHBondContact O-N 2.98Å; I172-T176 WeakPolarHBondContact O-CB 3.46Å; I172-T176 PolarHBondContact O-N 2.86Å; I172-T176 PolarHBondContact O-OG1 2.84Å |
| 173 | P | 86.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -27.9 | 174.1 | 26.5 | -33.8 | 0 | 0 | 0 | 112.2 | L41 F45 F48 L169 S170 G177 | L41-P173 HydrophobicContact CD1-CB 4.48Å; L41-P173 WeakPolarHBondContact CD1-O 3.44Å; F45-P173 HydrophobicContact CD1-CB 4.43Å; F45-P173 HydrophobicContact CD1-CG 4.23Å; F45-P173 HydrophobicContact CD2-CB 4.49Å; F45-P173 HydrophobicContact CE1-CB 4.09Å; F45-P173 HydrophobicContact CE1-CG 3.99Å; F45-P173 HydrophobicContact CE2-CB 4.11Å; F45-P173 VanDerWaalsContact CZ-C 3.45Å; F45-P173 HydrophobicContact CZ-CB 3.93Å; F45-P173 HydrophobicContact CZ-CG 4.32Å; F45-P173 WeakPolarHBondContact CZ-O 3.14Å; F48-P173 HydrophobicContact CD2-CG 4.18Å; F48-P173 HydrophobicContact CE2-CG 4.47Å; L169-P173 WeakPolarHBondContact O-CD 3.23Å; S170-P173 VanDerWaalsContact O-CD 3.3Å; S170-P173 WeakPolarHBondContact O-CD 3.03Å; S170-P173 WeakPolarHBondContact O-CG 3.47Å; P173-G177 PolarHBondContact O-N 3.46Å |
| 174 | C | 86.7 | Confident | 83 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -52.9 | 173.5 | -162.6 | 0 | 0 | 0 | 0 | 112.5 | F45 S170 L171 I172 G177 L178 | F45-C174 HydrophobicContact CE1-CB 4.29Å; F45-C174 HydrophobicContact CZ-CB 4.25Å; S170-C174 PolarHBondContact O-N 2.88Å; L171-C174 CarbonylContact O-C 3.59Å; L171-C174 WeakPolarHBondContact O-CA 3.41Å; L171-C174 WeakPolarHBondContact O-CB 3.2Å; L171-C174 PolarHBondContact O-N 3.5Å; L171-C174 VanDerWaalsContact O-N 3.13Å; I172-C174 VanDerWaalsContact C-N 3.26Å; I172-C174 PolarHBondContact O-N 3.19Å; C174-G177 PolarHBondContact O-N 3.06Å; C174-L178 WeakPolarHBondContact O-CG 3.47Å; C174-L178 PolarHBondContact O-N 2.93Å |
| 175 | F | 87 | Confident | 81.9 | Confident | 102 Ų | 102 | 37.7 Ų | 37.7 | 45% | 0.447 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.8 | -76.9 | -64.6 | 0 | 0 | 0 | 111.9 | L124 L171 I172 G177 L178 I179 | L124-F175 HydrophobicContact CD1-CE1 4Å; L124-F175 HydrophobicContact CD1-CE2 4.27Å; L124-F175 HydrophobicContact CD1-CZ 3.8Å; L171-F175 HydrophobicContact CB-CD2 4.06Å; L171-F175 HydrophobicContact CB-CE2 3.98Å; L171-F175 HydrophobicContact CD2-CE2 4.35Å; L171-F175 WeakPolarHBondContact O-CD2 3.5Å; L171-F175 PolarHBondContact O-N 2.95Å; I172-F175 PolarHBondContact O-N 2.98Å; F175-G177 VanDerWaalsContact C-N 3.3Å; F175-G177 PolarHBondContact O-N 2.82Å; F175-L178 PolarHBondContact O-N 2.89Å; F175-I179 WeakPolarHBondContact O-CB 3.38Å; F175-I179 VanDerWaalsContact O-CG1 3.25Å; F175-I179 WeakPolarHBondContact O-CG1 3.31Å; F175-I179 PolarHBondContact O-N 2.94Å |
| 176 | T | 85.7 | Confident | 80.3 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | L41 I172 L180 | L41-T176 HydrophobicContact CD1-CG2 4.21Å; I172-T176 WeakPolarHBondContact O-CB 3.46Å; I172-T176 PolarHBondContact O-N 2.86Å; I172-T176 PolarHBondContact O-OG1 2.84Å; T176-L180 WeakPolarHBondContact O-CB 3.29Å; T176-L180 PolarHBondContact O-N 3.04Å |
| 177 | G | 83.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P173 C174 F175 L180 Y181 | P173-G177 PolarHBondContact O-N 3.46Å; C174-G177 PolarHBondContact O-N 3.06Å; F175-G177 VanDerWaalsContact C-N 3.3Å; F175-G177 PolarHBondContact O-N 2.82Å; G177-L180 PolarHBondContact O-N 3.34Å; G177-Y181 WeakPolarHBondContact O-CB 3.4Å; G177-Y181 WeakPolarHBondContact O-CD2 3.41Å; G177-Y181 PolarHBondContact O-N 3.42Å |
| 178 | L | 86.4 | Confident | 76.8 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.8 | -75 | 172 | 0 | 0 | 0 | 111.7 | Y117 L120 W121 L124 C174 F175 S182 | Y117-L178 HydrophobicContact CD2-CD2 4.16Å; Y117-L178 HydrophobicContact CE2-CD2 3.7Å; L120-L178 HydrophobicContact CB-CD2 3.8Å; L120-L178 HydrophobicContact CB-CG 4.13Å; L120-L178 HydrophobicContact CD1-CD2 4.31Å; L120-L178 HydrophobicContact CD1-CG 4.39Å; W121-L178 HydrophobicContact CD2-CD2 4.41Å; W121-L178 HydrophobicContact CG-CD2 4.29Å; L124-L178 HydrophobicContact CD1-CD1 4.45Å; L124-L178 HydrophobicContact CD2-CD1 3.97Å; C174-L178 WeakPolarHBondContact O-CG 3.47Å; C174-L178 PolarHBondContact O-N 2.93Å; F175-L178 PolarHBondContact O-N 2.89Å; L178-S182 WeakPolarHBondContact O-CA 3.48Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 3.3Å; L178-S182 PolarHBondContact O-OG 3.35Å |
| 179 | I | 82.8 | Confident | 75.1 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 48% | 0.477 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 179 | -66.9 | 165.5 | 0 | 0 | 0 | 110 | F175 Y181 S182 | F175-I179 WeakPolarHBondContact O-CB 3.38Å; F175-I179 VanDerWaalsContact O-CG1 3.25Å; F175-I179 WeakPolarHBondContact O-CG1 3.31Å; F175-I179 PolarHBondContact O-N 2.94Å; I179-Y181 PolarHBondContact O-N 3.4Å; I179-S182 PolarHBondContact O-OG 3.33Å |
| 180 | L | 78.2 | Confident | 72.9 | Confident | 56 Ų | 56 | 56 Ų | 56 | 29% | 0.293 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | -175.3 | -162 | 68.6 | 0 | 0 | 0 | 112 | Y34 T176 G177 | Y34-L180 HydrophobicContact CD1-CD1 4.45Å; Y34-L180 HydrophobicContact CD1-CD2 4.25Å; Y34-L180 HydrophobicContact CD1-CG 3.94Å; Y34-L180 HydrophobicContact CE1-CD1 3.95Å; Y34-L180 HydrophobicContact CE1-CD2 4.49Å; Y34-L180 HydrophobicContact CE1-CG 3.72Å; Y34-L180 WeakPolarHBondContact CE1-O 3.29Å; T176-L180 WeakPolarHBondContact O-CB 3.29Å; T176-L180 PolarHBondContact O-N 3.04Å; G177-L180 PolarHBondContact O-N 3.34Å |
| 181 | Y | 74.8 | Confident | 70.7 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -99.5 | -2.3 | -176.9 | -61.9 | -71.5 | 0 | 0 | 0 | 114.8 | Y34 L38 L41 L113 F116 G177 I179 P184 V185 | Y34-Y181 HydrophobicContact CD1-CD1 4.43Å; Y34-Y181 AromaticContact CD1-CE1 3.89Å; Y34-Y181 HydrophobicContact CD1-CE1 3.89Å; Y34-Y181 PolarHBondContact O-OH 3.11Å; Y34-Y181 VanDerWaalsContact O-OH 3.11Å; L38-Y181 VanDerWaalsContact CB-OH 3.25Å; L38-Y181 WeakPolarHBondContact CB-OH 3.39Å; L38-Y181 HydrophobicContact CD1-CE2 3.84Å; L38-Y181 WeakPolarHBondContact CD1-OH 3.42Å; L41-Y181 HydrophobicContact CD2-CE2 4.47Å; L113-Y181 HydrophobicContact CD1-CD1 4.01Å; L113-Y181 HydrophobicContact CD1-CE1 4.22Å; L113-Y181 HydrophobicContact CD2-CD1 4.49Å; L113-Y181 HydrophobicContact CG-CD1 4.39Å; F116-Y181 AromaticContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CE2 4.19Å; G177-Y181 WeakPolarHBondContact O-CB 3.4Å; G177-Y181 WeakPolarHBondContact O-CD2 3.41Å; G177-Y181 PolarHBondContact O-N 3.42Å; I179-Y181 PolarHBondContact O-N 3.4Å; Y181-P184 HydrophobicContact CD1-CG 4.4Å; Y181-P184 WeakPolarHBondContact O-CD 3.47Å; Y181-P184 WeakPolarHBondContact O-CG 3.35Å; Y181-V185 WeakPolarHBondContact O-CG2 3.5Å; Y181-V185 PolarHBondContact O-N 2.94Å |
| 182 | S | 76.2 | Confident | 68.8 | Low | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.5 | -48.4 | 172.2 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | L178 I179 V185 L186 | L178-S182 WeakPolarHBondContact O-CA 3.48Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 3.3Å; L178-S182 PolarHBondContact O-OG 3.35Å; I179-S182 PolarHBondContact O-OG 3.33Å; S182-V185 PolarHBondContact O-N 3.19Å; S182-L186 VanDerWaalsContact O-CB 3.27Å; S182-L186 WeakPolarHBondContact O-CB 3.49Å; S182-L186 WeakPolarHBondContact O-CD1 3.3Å; S182-L186 PolarHBondContact O-N 3.22Å |
| 183 | H | 65.5 | Low | 66.6 | Low | 59 Ų | 59 | 67 Ų | 67 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.6 | -54.5 | -175.4 | -161.9 | -92.8 | 0 | 0 | 0 | 113.8 | V185 S187 | H183-V185 VanDerWaalsContact C-N 3.34Å; H183-V185 PolarHBondContact O-N 3.21Å; H183-S187 PolarHBondContact O-N 3.49Å |
| 184 | P | 60.4 | Low | 64.7 | Low | 16 Ų | 16 | 72 Ų | 72 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65 | -34.5 | -179.7 | 23.7 | -34.4 | 0 | 0 | 0 | 113.4 | L24 Y181 S187 | L24-P184 HydrophobicContact CD2-CB 3.38Å; Y181-P184 HydrophobicContact CD1-CG 4.4Å; Y181-P184 WeakPolarHBondContact O-CD 3.47Å; Y181-P184 WeakPolarHBondContact O-CG 3.35Å; P184-S187 PolarHBondContact O-OG 3.38Å |
| 185 | V | 61.9 | Low | 62.7 | Low | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -80.6 | -40 | -175.7 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | L113 Y117 Y181 S182 H183 | L113-V185 HydrophobicContact CD2-CG2 3.42Å; L113-V185 VanDerWaalsContact CD2-CG2 3.42Å; Y117-V185 HydrophobicContact CD1-CB 4.49Å; Y117-V185 HydrophobicContact CD1-CG1 3.94Å; Y117-V185 HydrophobicContact CD2-CG2 4.48Å; Y117-V185 HydrophobicContact CE1-CG1 4.2Å; Y117-V185 HydrophobicContact CG-CG1 4.4Å; Y117-V185 HydrophobicContact CG-CG2 4.21Å; Y181-V185 WeakPolarHBondContact O-CG2 3.5Å; Y181-V185 PolarHBondContact O-N 2.94Å; S182-V185 PolarHBondContact O-N 3.19Å; H183-V185 VanDerWaalsContact C-N 3.34Å; H183-V185 PolarHBondContact O-N 3.21Å |
| 186 | L | 56.8 | Low | 60.7 | Low | 30 Ų | 30 | 76.5 Ų | 76.5 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.5 | -14.9 | -177.7 | -80.2 | 141.9 | 0 | 0 | 0 | 113.7 | S182 R188 Y189 | S182-L186 VanDerWaalsContact O-CB 3.27Å; S182-L186 WeakPolarHBondContact O-CB 3.49Å; S182-L186 WeakPolarHBondContact O-CD1 3.3Å; S182-L186 PolarHBondContact O-N 3.22Å; L186-R188 PolarHBondContact O-N 3.3Å; L186-Y189 PolarHBondContact O-N 3.09Å |
| 187 | S | 53.8 | Low | 59 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -25.9 | 175.7 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | H183 P184 | H183-S187 PolarHBondContact O-N 3.49Å; P184-S187 PolarHBondContact O-OG 3.38Å |
| 188 | R | 48.3 | Very low | 57.3 | Low | 193 Ų | 193 | 82.4 Ų | 82.4 | 73% | 0.728 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.1 | 177 | -131.4 | -178.1 | -160.3 | -166.8 | 5.3 | 114.9 | L186 | L186-R188 PolarHBondContact O-N 3.3Š|
| 189 | Y | 50.7 | Low | 55.7 | Low | 126 Ų | 126 | 83.3 Ų | 83.3 | 49% | 0.494 | 42% | 0.421 | S | S | . | . | trans | -109.5 | 71.9 | -179 | -70.3 | -80.4 | 0 | 0 | 0 | 109.9 | L186 N191 I192 | L186-Y189 PolarHBondContact O-N 3.09Å; Y189-N191 PolarHBondContact O-N 3.02Å; Y189-I192 PolarHBondContact O-N 3.42Å | ||
| 190 | Q | 43.8 | Very low | 53.9 | Low | 171 Ų | 171 | 82.2 Ų | 82.2 | 80% | 0.799 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -11.4 | 176.5 | -139.1 | 170.3 | 2.2 | 0 | 0 | 113.5 | L193 | Q190-L193 WeakPolarHBondContact O-CD1 3.37Š|
| 191 | N | 40.3 | Very low | 52.5 | Low | 156 Ų | 156 | 90 Ų | 90 | 83% | 0.834 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 2.7 | -177.5 | -74.1 | -13.3 | 0 | 0 | 0 | 116.1 | Y189 L193 | Y189-N191 PolarHBondContact O-N 3.02Å; N191-L193 VanDerWaalsContact C-N 3.33Å |
| 192 | I | 46.2 | Very low | 51.1 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | trans | -102.6 | 53.4 | 168.3 | -50.1 | 176.9 | 0 | 0 | 0 | 109.1 | Y189 C194 | Y189-I192 PolarHBondContact O-N 3.42Å; I192-C194 PolarHBondContact O-N 3.18Å | ||
| 193 | L | 43.9 | Very low | 49.6 | Very low | 116 Ų | 116 | 100.3 Ų | 100.3 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -19.9 | 179.7 | -93.5 | 147.7 | 0 | 0 | 0 | 113.9 | Q190 N191 F195 Y196 S197 | Q190-L193 WeakPolarHBondContact O-CD1 3.37Å; N191-L193 VanDerWaalsContact C-N 3.33Å; L193-F195 PolarHBondContact O-N 3.13Å; L193-Y196 PolarHBondContact O-N 2.63Å; L193-S197 PolarHBondContact O-N 2.92Å |
| 194 | C | 45.5 | Very low | 48.4 | Very low | 117 Ų | 117 | 104.6 Ų | 104.6 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.1 | -36.6 | -177.2 | -157.3 | 0 | 0 | 0 | 0 | 112.6 | I192 | I192-C194 PolarHBondContact O-N 3.18Å |
| 195 | F | 44.9 | Very low | 47.5 | Very low | 105 Ų | 105 | 109.2 Ų | 109.2 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -83.4 | -25.4 | 177.9 | -137.1 | -92.9 | 0 | 0 | 0 | 112.3 | W121 L193 L198 I199 | W121-F195 HydrophobicContact CH2-CZ 4.19Å; L193-F195 PolarHBondContact O-N 3.13Å; F195-L198 PolarHBondContact O-N 2.94Å; F195-I199 HydrophobicContact CD1-CD1 3.54Å; F195-I199 HydrophobicContact CD1-CG1 4.02Å; F195-I199 HydrophobicContact CE1-CD1 3.91Å; F195-I199 HydrophobicContact CE1-CG1 4.28Å; F195-I199 PolarHBondContact O-N 2.91Å |
| 196 | Y | 44.6 | Very low | 46.7 | Very low | 91 Ų | 91 | 113 Ų | 113 | 36% | 0.357 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -40 | 179.7 | -155.9 | -98.5 | 0 | 0 | 0 | 112.2 | L193 L198 I199 Q200 | L193-Y196 PolarHBondContact O-N 2.63Å; Y196-L198 PolarHBondContact O-N 3.47Å; Y196-I199 PolarHBondContact O-N 3.31Å; Y196-Q200 HydrophobicContact CD1-CG 3.9Å; Y196-Q200 HydrophobicContact CE1-CG 3.82Å; Y196-Q200 VanDerWaalsContact CE1-NE2 3.34Å; Y196-Q200 WeakPolarHBondContact O-CB 3.3Å; Y196-Q200 WeakPolarHBondContact O-CG 3.21Å; Y196-Q200 PolarHBondContact O-N 2.82Å |
| 197 | S | 49.6 | Very low | 46.2 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.8 | -44.1 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 112.8 | L193 Q200 R201 | L193-S197 PolarHBondContact O-N 2.92Å; S197-Q200 PolarHBondContact O-N 3.47Å; S197-R201 PolarHBondContact O-N 3.32Å; S197-R201 VanDerWaalsContact O-N 3.17Å |
| 198 | L | 47.9 | Very low | 45.4 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.8 | -36 | -175.6 | -139.4 | 135.4 | 0 | 0 | 0 | 111.7 | F195 Y196 | F195-L198 PolarHBondContact O-N 2.94Å; Y196-L198 PolarHBondContact O-N 3.47Å |
| 199 | I | 52.9 | Low | 44.8 | Very low | 36 Ų | 36 | 116.1 Ų | 116.1 | 19% | 0.185 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -74 | -39.3 | 174.4 | -66.5 | 175.6 | 0 | 0 | 0 | 111.4 | F195 Y196 R201 F202 S203 | F195-I199 HydrophobicContact CD1-CD1 3.54Å; F195-I199 HydrophobicContact CD1-CG1 4.02Å; F195-I199 HydrophobicContact CE1-CD1 3.91Å; F195-I199 HydrophobicContact CE1-CG1 4.28Å; F195-I199 PolarHBondContact O-N 2.91Å; Y196-I199 PolarHBondContact O-N 3.31Å; I199-R201 VanDerWaalsContact C-N 3.28Å; I199-R201 PolarHBondContact O-N 3.2Å; I199-F202 PolarHBondContact O-N 2.84Å; I199-S203 VanDerWaalsContact O-CB 3.29Å; I199-S203 WeakPolarHBondContact O-CB 3.07Å; I199-S203 PolarHBondContact O-N 2.92Å |
| 200 | Q | 46.3 | Very low | 44.4 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 32% | 0.322 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.9 | -42 | 175.5 | -82.8 | -161 | -32.7 | 0 | 0 | 110.9 | Y196 S197 F202 S203 Y204 | Y196-Q200 HydrophobicContact CD1-CG 3.9Å; Y196-Q200 HydrophobicContact CE1-CG 3.82Å; Y196-Q200 VanDerWaalsContact CE1-NE2 3.34Å; Y196-Q200 WeakPolarHBondContact O-CB 3.3Å; Y196-Q200 WeakPolarHBondContact O-CG 3.21Å; Y196-Q200 PolarHBondContact O-N 2.82Å; S197-Q200 PolarHBondContact O-N 3.47Å; Q200-F202 VanDerWaalsContact C-N 3.29Å; Q200-F202 PolarHBondContact O-N 3.05Å; Q200-S203 PolarHBondContact O-N 2.99Å; Q200-Y204 HydrophobicContact CB-CD2 3.8Å; Q200-Y204 HydrophobicContact CB-CE2 3.92Å; Q200-Y204 HydrophobicContact CG-CD2 3.99Å; Q200-Y204 HydrophobicContact CG-CE2 3.61Å; Q200-Y204 PolarHBondContact NE2-OH 3.22Å; Q200-Y204 VanDerWaalsContact O-CB 3.22Å; Q200-Y204 WeakPolarHBondContact O-CB 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3Å; Q200-Y204 PolarHBondContact O-N 3.22Å |
| 201 | R | 47.7 | Very low | 44.4 | Very low | 221 Ų | 221 | 117.4 Ų | 117.4 | 83% | 0.834 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.7 | -37 | 177 | -109.2 | -176.9 | -179.9 | -166.3 | 0.5 | 113.9 | S197 I199 | S197-R201 PolarHBondContact O-N 3.32Å; S197-R201 VanDerWaalsContact O-N 3.17Å; I199-R201 VanDerWaalsContact C-N 3.28Å; I199-R201 PolarHBondContact O-N 3.2Å |
| 202 | F | 45.5 | Very low | 44.3 | Very low | 176 Ų | 176 | 117 Ų | 117 | 77% | 0.772 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.4 | -37.2 | 177.9 | -94.4 | -81.1 | 0 | 0 | 0 | 113.4 | I199 Q200 | I199-F202 PolarHBondContact O-N 2.84Å; Q200-F202 VanDerWaalsContact C-N 3.29Å; Q200-F202 PolarHBondContact O-N 3.05Å |
| 203 | S | 46.1 | Very low | 44.1 | Very low | 50 Ų | 50 | 118.6 Ų | 118.6 | 35% | 0.35 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -83.4 | -26.1 | -173.7 | -148.5 | 0 | 0 | 0 | 0 | 113.4 | I199 Q200 S205 | I199-S203 VanDerWaalsContact O-CB 3.29Å; I199-S203 WeakPolarHBondContact O-CB 3.07Å; I199-S203 PolarHBondContact O-N 2.92Å; Q200-S203 PolarHBondContact O-N 2.99Å; S203-S205 VanDerWaalsContact C-N 3.25Å; S203-S205 PolarHBondContact O-N 3.25Å |
| 204 | Y | 39.2 | Very low | 43.7 | Very low | 149 Ų | 149 | 115 Ų | 115 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -20.3 | 179 | -95.5 | -104.3 | 0 | 0 | 0 | 114.2 | Q200 S206 | Q200-Y204 HydrophobicContact CB-CD2 3.8Å; Q200-Y204 HydrophobicContact CB-CE2 3.92Å; Q200-Y204 HydrophobicContact CG-CD2 3.99Å; Q200-Y204 HydrophobicContact CG-CE2 3.61Å; Q200-Y204 PolarHBondContact NE2-OH 3.22Å; Q200-Y204 VanDerWaalsContact O-CB 3.22Å; Q200-Y204 WeakPolarHBondContact O-CB 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3Å; Q200-Y204 PolarHBondContact O-N 3.22Å; Y204-S206 PolarHBondContact O-N 3.01Å |
| 205 | S | 42.5 | Very low | 43.4 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 79% | 0.79 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -22 | -170.8 | -165.9 | 0 | 0 | 0 | 0 | 114.4 | S203 | S203-S205 VanDerWaalsContact C-N 3.25Å; S203-S205 PolarHBondContact O-N 3.25Å |
| 206 | S | 44.2 | Very low | 43 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -43 | -167.6 | 174.2 | 0 | 0 | 0 | 0 | 116.6 | Y204 | Y204-S206 PolarHBondContact O-N 3.01Š|
| 207 | S | 46 | Very low | 42.6 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -107.1 | -18 | -162.6 | -74.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 208 | Y | 36.7 | Very low | 42 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 35% | 0.345 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -86.2 | -16.9 | -177.9 | -85.7 | -79 | 0 | 0 | 0 | 115.2 | R210 L211 F212 | Y208-R210 PolarHBondContact O-N 3.38Å; Y208-L211 PolarHBondContact O-N 2.66Å; Y208-F212 PolarHBondContact O-N 3.17Å |
| 209 | R | 36.8 | Very low | 41.5 | Very low | 202 Ų | 202 | 122.3 Ų | 122.3 | 76% | 0.762 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.5 | -30 | 176.4 | -153.5 | 179.8 | -134.9 | -140.3 | 4.8 | 112.4 | ||
| 210 | R | 41.6 | Very low | 41.1 | Very low | 210 Ų | 210 | 124.5 Ų | 124.5 | 79% | 0.792 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83.4 | -23.2 | -178.7 | -62.8 | -164.3 | -147.1 | 177 | 5.2 | 115.1 | Y208 G214 | Y208-R210 PolarHBondContact O-N 3.38Å; R210-G214 PolarHBondContact O-N 3.14Å |
| 211 | L | 43.4 | Very low | 40.8 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 60% | 0.602 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83.7 | -36.5 | 179.5 | -103.7 | 154.5 | 0 | 0 | 0 | 111.8 | Y208 G214 Q215 | Y208-L211 PolarHBondContact O-N 2.66Å; L211-G214 PolarHBondContact O-N 3Å; L211-Q215 PolarHBondContact O-N 3.18Å |
| 212 | F | 38.1 | Very low | 40.5 | Very low | 146 Ų | 146 | 121 Ų | 121 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71 | -34.5 | 176.2 | -120 | -88 | 0 | 0 | 0 | 112.9 | Y208 G214 Q215 N216 | Y208-F212 PolarHBondContact O-N 3.17Å; F212-G214 VanDerWaalsContact C-N 3.31Å; F212-Q215 PolarHBondContact O-N 3.18Å; F212-N216 PolarHBondContact O-N 3.48Å |
| 213 | E | 41.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69 | -29.4 | 171.9 | -79.9 | -179.7 | 169.5 | 0 | 0 | 112.7 | ||
| 214 | G | 36.4 | Very low | 39.6 | Very low | 40 Ų | 40 | 122.4 Ų | 122.4 | 41% | 0.412 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72 | -33.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | R210 L211 F212 | R210-G214 PolarHBondContact O-N 3.14Å; L211-G214 PolarHBondContact O-N 3Å; F212-G214 VanDerWaalsContact C-N 3.31Å |
| 215 | Q | 40.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.4 | -36.9 | -176.5 | -160.4 | 160.2 | -13.5 | 0 | 0 | 112.7 | L211 F212 R217 N218 D219 | L211-Q215 PolarHBondContact O-N 3.18Å; F212-Q215 PolarHBondContact O-N 3.18Å; Q215-R217 PolarHBondContact O-N 2.78Å; Q215-N218 PolarHBondContact O-N 3.34Å; Q215-D219 PolarHBondContact O-N 3.42Å |
| 216 | N | 35.3 | Very low | 39.6 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 60% | 0.604 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.3 | -20 | 175.6 | -90.6 | -1.3 | 0 | 0 | 0 | 114 | F212 S220 | F212-N216 PolarHBondContact O-N 3.48Å; N216-S220 PolarHBondContact O-OG 3.11Å; N216-S220 VanDerWaalsContact O-OG 3.08Å |
| 217 | R | 36.6 | Very low | 39.3 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -18.2 | 178.2 | -158.7 | 170.8 | -178.6 | 174.3 | 0.2 | 113.6 | Q215 | Q215-R217 PolarHBondContact O-N 2.78Š|
| 218 | N | 37.7 | Very low | 39 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -27.4 | 179.8 | -75.3 | -3.3 | 0 | 0 | 0 | 113.1 | Q215 S220 | Q215-N218 PolarHBondContact O-N 3.34Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 2.9Å |
| 219 | D | 37.5 | Very low | 39.1 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -7.4 | 179.1 | -74.6 | -17.7 | 0 | 0 | 0 | 113.9 | Q215 | Q215-D219 PolarHBondContact O-N 3.42Š|
| 220 | S | 43.4 | Very low | 39.2 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -0.2 | 179.4 | 38.7 | 0 | 0 | 0 | 0 | 115 | N216 N218 | N216-S220 PolarHBondContact O-OG 3.11Å; N216-S220 VanDerWaalsContact O-OG 3.08Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 2.9Å |
| 221 | T | 40.3 | Very low | 39.1 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -123.3 | 5.1 | -179.1 | 26.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 222 | S | 41.2 | Very low | 38.8 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -109.1 | 10.6 | 178.6 | 58.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 223 | S | 37.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.6 | 43.3 | 171.7 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 224 | I | 35.3 | Very low | 38.6 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 80% | 0.795 | 70% | 0.704 | S | S | * | * | trans | -142.4 | 85.3 | 164.8 | -53.8 | 177.8 | 0 | 0 | 0 | 108.7 | ||||
| 225 | S | 41.8 | Very low | 38.8 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 172.8 | 83.6 | 143.6 | 57.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 226 | E | 39 | Very low | 38.7 | Very low | 274 Ų | 274 | 135.3 Ų | 135.3 | 100% | 1.28 | 74% | 0.743 | S | S | * | * | trans | -75.7 | 0 | 140.9 | -79.2 | -176.9 | 138.1 | 0 | 0 | 108.9 |
Retrieved 226 of 226 residues in 285.3 ms
(Link to these results)