| 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 | 34.6 | Very low | 37.7 | Very low | 254 Ų | 254 | 180.4 Ų | 180.4 | 100% | 1.251 | 89% | 0.89 | S | S | * | * | 0 | 125 | 0 | -116.4 | 171.1 | 167.4 | 0 | 0 | 107.7 | |||||
| 2 | L | 41.8 | Very low | 37.7 | Very low | 172 Ų | 172 | 169.6 Ų | 169.6 | 90% | 0.901 | 86% | 0.859 | S | S | * | * | trans | -79.9 | 141.1 | -172.1 | -74 | 147.8 | 0 | 0 | 0 | 111.5 | ||||
| 3 | D | 34.7 | Very low | 38.3 | Very low | 159 Ų | 159 | 168.5 Ų | 168.5 | 85% | 0.85 | 86% | 0.857 | S | S | * | * | trans | -167.2 | 157.5 | 139 | -110.3 | -23 | 0 | 0 | 0 | 111.3 | ||||
| 4 | P | 44.8 | Very low | 39.1 | Very low | 111 Ų | 111 | 168.9 Ų | 168.9 | 72% | 0.721 | 85% | 0.85 | S | S | * | * | trans | -114 | 163.3 | -132.8 | 10.6 | 15.2 | 0 | 0 | 0 | 113.8 | C6 | P4-C6 PolarHBondContact O-N 3.46Å; P4-C6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | K | 39.3 | Very low | 40.2 | Very low | 195 Ų | 195 | 167.9 Ų | 167.9 | 85% | 0.848 | 85% | 0.848 | S | S | * | * | trans | -47.2 | 109 | 175.5 | -70.8 | 170.2 | 175.3 | 168.9 | 0 | 113.3 | K7 | K5-K7 PolarHBondContact O-N 2.8Š| ||
| 6 | C | 32.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 158.8 Ų | 158.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -80.1 | 92.7 | 158.6 | -161.2 | 0 | 0 | 0 | 0 | 109 | P4 R8 | P4-C6 PolarHBondContact O-N 3.46Å; P4-C6 VanDerWaalsContact O-N 3.14Å; C6-R8 PolarHBondContact O-N 3.02Å | ||
| 7 | K | 34.6 | Very low | 43.8 | Very low | 192 Ų | 192 | 154.8 Ų | 154.8 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -65.9 | 96.3 | 170.4 | -81.2 | -177.6 | 176.4 | 177 | 0 | 108.9 | K5 S9 | K5-K7 PolarHBondContact O-N 2.8Å; K7-S9 PolarHBondContact O-N 3.32Å | ||
| 8 | R | 39.1 | Very low | 46.1 | Very low | 241 Ų | 241 | 147.9 Ų | 147.9 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -62.9 | 105.3 | 164.4 | -90 | 178.5 | 166.1 | 168.9 | -3.2 | 108.9 | C6 | C6-R8 PolarHBondContact O-N 3.02Š| ||
| 9 | S | 33.3 | Very low | 48.4 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -64.5 | 139 | 172 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | K7 | K7-S9 PolarHBondContact O-N 3.32Š| ||
| 10 | K | 37.2 | Very low | 50.5 | Low | 201 Ų | 201 | 147.1 Ų | 147.1 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -50.8 | 132 | -174.8 | -79 | 172.7 | 169.9 | 176.3 | 0 | 112.7 | G12 | K10-G12 VanDerWaalsContact C-N 3.3Å; K10-G12 PolarHBondContact O-N 3.18Å | ||
| 11 | K | 43.7 | Very low | 52.4 | Low | 220 Ų | 220 | 142.4 Ų | 142.4 | 96% | 0.957 | 72% | 0.717 | S | S | * | * | trans | -72.7 | 81.6 | 169.5 | -157.4 | 179.4 | -171.8 | -176 | 0 | 108.3 | ||||
| 12 | G | 37.1 | Very low | 55.1 | Low | 51 Ų | 51 | 130.5 Ų | 130.5 | 53% | 0.526 | 66% | 0.658 | S | S | . | * | trans | -84 | 142.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | K10 K14 | K10-G12 VanDerWaalsContact C-N 3.3Å; K10-G12 PolarHBondContact O-N 3.18Å; G12-K14 PolarHBondContact O-N 3.39Å | ||
| 13 | D | 45.1 | Very low | 57.6 | Low | 155 Ų | 155 | 123.9 Ų | 123.9 | 83% | 0.829 | 63% | 0.627 | S | S | * | * | trans | -42.6 | 106.3 | 174.8 | -82.6 | -52.5 | 0 | 0 | 0 | 112.9 | ||||
| 14 | K | 50.5 | Low | 60.3 | Low | 175 Ų | 175 | 120.1 Ų | 120.1 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | trans | -105.2 | 36.5 | 173.2 | -70.9 | -177.6 | -177.3 | 178.6 | 0 | 110.9 | G12 G16 | G12-K14 PolarHBondContact O-N 3.39Å; K14-G16 PolarHBondContact O-N 2.92Å | ||
| 15 | N | 54.8 | Low | 62.7 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 4.6 | -168.4 | -92.8 | 32 | 0 | 0 | 0 | 116.3 | ||
| 16 | G | 65.3 | Low | 65.3 | Low | 23 Ų | 23 | 108.2 Ų | 108.2 | 24% | 0.237 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -151.6 | 0.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | K14 H21 F49 | K14-G16 PolarHBondContact O-N 2.92Å; G16-H21 PolarHBondContact O-CD2 2.81Å; G16-H21 VanDerWaalsContact O-CG 3.25Å; G16-F49 WeakPolarHBondContact O-CE1 3.45Å |
| 17 | K | 77.4 | Confident | 68.2 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 39% | 0.391 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -115.7 | 12.2 | -174 | -62.2 | -167.7 | 177.4 | -166.2 | 0 | 114.3 | F22 D64 | K17-F22 VanDerWaalsContact O-CE2 3.32Å; K17-F22 WeakPolarHBondContact O-CE2 3.45Å; K17-D64 IonicContact NZ-OD1 3.9Å; K17-D64 IonicContact NZ-OD2 2.79Å; K17-D64 PolarHBondContact NZ-OD2 2.95Å |
| 18 | G | 84.8 | Confident | 71.1 | Confident | 31 Ų | 31 | 97.3 Ų | 97.3 | 32% | 0.32 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -85.3 | 162.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R20 H21 F22 | G18-R20 PolarHBondContact O-N 3.09Å; G18-H21 WeakPolarHBondContact O-CB 3.22Å; G18-H21 PolarHBondContact O-N 3.46Å; G18-F22 WeakPolarHBondContact O-CD2 3.47Å; G18-F22 PolarHBondContact O-N 2.89Å; G18-F22 VanDerWaalsContact O-N 3.16Å |
| 19 | L | 89.3 | Confident | 73.7 | Confident | 72 Ų | 72 | 86.6 Ų | 86.6 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.4 | -37 | 176.8 | -179.3 | 64.3 | 0 | 0 | 0 | 112.3 | H21 F22 S23 R71 D74 | L19-H21 VanDerWaalsContact C-N 3.3Å; L19-H21 PolarHBondContact O-N 2.99Å; L19-F22 PolarHBondContact O-N 2.75Å; L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.29Å; L19-S23 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-OG 3.18Å; L19-R71 HydrophobicContact CD1-CB 4.29Å; L19-D74 HydrophobicContact CD1-CB 3.69Å; L19-D74 HydrophobicContact CD2-CB 4.5Å |
| 20 | R | 89.8 | Confident | 76.6 | Confident | 208 Ų | 208 | 81 Ų | 81 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.5 | -44.1 | 175 | -176.2 | -179.9 | -177.1 | -81.3 | -1 | 112.1 | G18 M24 | G18-R20 PolarHBondContact O-N 3.09Å; R20-M24 WeakPolarHBondContact O-CB 3.3Å; R20-M24 PolarHBondContact O-N 3.3Å; R20-M24 VanDerWaalsContact O-N 3.1Å |
| 21 | H | 90.4 | Very high | 79.3 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.7 | -46.7 | -179.4 | -173.3 | 92.7 | 0 | 0 | 0 | 111 | G16 G18 L19 S23 M24 K25 F49 | G16-H21 PolarHBondContact O-CD2 2.81Å; G16-H21 VanDerWaalsContact O-CG 3.25Å; G18-H21 WeakPolarHBondContact O-CB 3.22Å; G18-H21 PolarHBondContact O-N 3.46Å; L19-H21 VanDerWaalsContact C-N 3.3Å; L19-H21 PolarHBondContact O-N 2.99Å; H21-S23 VanDerWaalsContact C-N 3.33Å; H21-S23 PolarHBondContact O-N 2.99Å; H21-M24 WeakPolarHBondContact O-CB 3.32Å; H21-M24 PolarHBondContact O-N 3.44Å; H21-K25 PolarHBondContact O-N 2.81Å; H21-F49 AromaticContact CD2-CZ 3.49Å; H21-F49 VanDerWaalsContact CD2-CZ 3.49Å; H21-F49 WeakPolarHBondContact CD2-CZ 3.43Å; H21-F49 AromaticContact NE2-CZ 3.41Å; H21-F49 WeakPolarHBondContact NE2-CZ 3.42Å |
| 22 | F | 92.6 | Very high | 81.7 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 176.7 | -68.1 | -57.3 | 0 | 0 | 0 | 112.6 | K17 G18 L19 M24 K25 V26 F49 I68 R71 | K17-F22 VanDerWaalsContact O-CE2 3.32Å; K17-F22 WeakPolarHBondContact O-CE2 3.45Å; G18-F22 WeakPolarHBondContact O-CD2 3.47Å; G18-F22 PolarHBondContact O-N 2.89Å; G18-F22 VanDerWaalsContact O-N 3.16Å; L19-F22 PolarHBondContact O-N 2.75Å; F22-M24 VanDerWaalsContact C-N 3.35Å; F22-M24 PolarHBondContact O-N 2.91Å; F22-K25 PolarHBondContact O-N 2.96Å; F22-V26 WeakPolarHBondContact O-CB 3.4Å; F22-V26 WeakPolarHBondContact O-CG2 3.43Å; F22-V26 PolarHBondContact O-N 3.28Å; F22-F49 HydrophobicContact CD1-CE2 4.41Å; F22-F49 HydrophobicContact CD1-CZ 4.48Å; F22-F49 HydrophobicContact CE1-CD1 4.45Å; F22-F49 HydrophobicContact CE1-CD2 4.23Å; F22-F49 HydrophobicContact CE1-CE1 4.12Å; F22-F49 AromaticContact CE1-CE2 3.86Å; F22-F49 HydrophobicContact CE1-CE2 3.86Å; F22-F49 HydrophobicContact CE1-CG 4.49Å; F22-F49 AromaticContact CE1-CZ 3.8Å; F22-F49 HydrophobicContact CE1-CZ 3.8Å; F22-F49 HydrophobicContact CZ-CE1 4.38Å; F22-F49 HydrophobicContact CZ-CZ 4.45Å; F22-I68 HydrophobicContact CE1-CB 4.49Å; F22-I68 HydrophobicContact CE1-CD1 4.4Å; F22-I68 HydrophobicContact CE1-CG1 3.71Å; F22-I68 HydrophobicContact CE1-CG2 4.32Å; F22-I68 HydrophobicContact CZ-CG1 3.66Å; F22-R71 HydrophobicContact CB-CB 4.06Å; F22-R71 HydrophobicContact CD2-CB 3.76Å; F22-R71 HydrophobicContact CD2-CG 3.79Å; F22-R71 HydrophobicContact CE2-CB 4.5Å; F22-R71 HydrophobicContact CE2-CG 4.21Å; F22-R71 HydrophobicContact CG-CB 4.06Å |
| 23 | S | 93.7 | Very high | 84.3 | Confident | 34 Ų | 34 | 75.5 Ų | 75.5 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 177 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | L19 H21 C27 | L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.29Å; L19-S23 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-OG 3.18Å; H21-S23 VanDerWaalsContact C-N 3.33Å; H21-S23 PolarHBondContact O-N 2.99Å; S23-C27 VanDerWaalsContact O-CB 3.32Å; S23-C27 WeakPolarHBondContact O-CB 3.42Å; S23-C27 PolarHBondContact O-N 3.16Å |
| 24 | M | 91.9 | Very high | 86.4 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 39% | 0.389 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 174 | -174.6 | -178.4 | 78.1 | 0 | 0 | 111.1 | R20 H21 F22 C27 E28 | R20-M24 WeakPolarHBondContact O-CB 3.3Å; R20-M24 PolarHBondContact O-N 3.3Å; R20-M24 VanDerWaalsContact O-N 3.1Å; H21-M24 WeakPolarHBondContact O-CB 3.32Å; H21-M24 PolarHBondContact O-N 3.44Å; F22-M24 VanDerWaalsContact C-N 3.35Å; F22-M24 PolarHBondContact O-N 2.91Å; M24-C27 WeakPolarHBondContact O-CB 3.38Å; M24-C27 PolarHBondContact O-N 2.78Å; M24-E28 WeakPolarHBondContact O-CG 3.4Å; M24-E28 PolarHBondContact O-N 3.03Å |
| 25 | K | 94 | Very high | 88.5 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 179.5 | -73.6 | -69.3 | 171.1 | -158.5 | 0 | 113.5 | H21 F22 E28 K29 L45 | H21-K25 PolarHBondContact O-N 2.81Å; F22-K25 PolarHBondContact O-N 2.96Å; K25-E28 IonicContact NZ-OE2 3.03Å; K25-E28 PolarHBondContact NZ-OE2 3.26Å; K25-E28 PolarHBondContact O-N 2.94Å; K25-K29 WeakPolarHBondContact O-CB 3.38Å; K25-K29 PolarHBondContact O-N 2.98Å; K25-L45 HydrophobicContact CB-CD2 3.71Å; K25-L45 HydrophobicContact CG-CD2 4.47Å |
| 26 | V | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.8 | 169 | 0 | 0 | 0 | 0 | 110.6 | F22 K29 V30 V41 L45 V72 A75 L76 L79 | F22-V26 WeakPolarHBondContact O-CB 3.4Å; F22-V26 WeakPolarHBondContact O-CG2 3.43Å; F22-V26 PolarHBondContact O-N 3.28Å; V26-K29 PolarHBondContact O-N 3.29Å; V26-V30 HydrophobicContact CG1-CG2 4.44Å; V26-V30 VanDerWaalsContact O-CG2 3.31Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.38Å; V26-V41 HydrophobicContact CG1-CG1 4.34Å; V26-V41 HydrophobicContact CG2-CG1 4.11Å; V26-L45 HydrophobicContact CG2-CD1 3.59Å; V26-V72 HydrophobicContact CG2-CB 4.29Å; V26-V72 HydrophobicContact CG2-CG1 4.14Å; V26-V72 HydrophobicContact CG2-CG2 3.89Å; V26-A75 HydrophobicContact CB-CB 4.08Å; V26-A75 HydrophobicContact CG1-CB 4.11Å; V26-A75 HydrophobicContact CG2-CB 4.11Å; V26-L76 HydrophobicContact CG1-CD2 3.56Å; V26-L76 HydrophobicContact CG1-CG 3.93Å; V26-L79 HydrophobicContact CG1-CD1 4.03Å |
| 27 | C | 93.4 | Very high | 92 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -51.4 | 177.8 | -170 | 0 | 0 | 0 | 0 | 111.9 | S23 M24 K29 V30 Q31 L79 | S23-C27 VanDerWaalsContact O-CB 3.32Å; S23-C27 WeakPolarHBondContact O-CB 3.42Å; S23-C27 PolarHBondContact O-N 3.16Å; M24-C27 WeakPolarHBondContact O-CB 3.38Å; M24-C27 PolarHBondContact O-N 2.78Å; C27-K29 VanDerWaalsContact C-N 3.27Å; C27-K29 PolarHBondContact O-N 3.07Å; C27-V30 PolarHBondContact O-N 2.51Å; C27-Q31 WeakPolarHBondContact O-CB 3.35Å; C27-Q31 PolarHBondContact O-N 3.2Å; C27-L79 HydrophobicContact CB-CD1 4.17Å |
| 28 | E | 93.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 55.2 Ų | 55.2 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.7 | -41.4 | 176.8 | -73.5 | 171.7 | -172.6 | 0 | 0 | 112.1 | M24 K25 R32 | M24-E28 WeakPolarHBondContact O-CG 3.4Å; M24-E28 PolarHBondContact O-N 3.03Å; K25-E28 IonicContact NZ-OE2 3.03Å; K25-E28 PolarHBondContact NZ-OE2 3.26Å; K25-E28 PolarHBondContact O-N 2.94Å; E28-R32 WeakPolarHBondContact O-CB 3.22Å; E28-R32 PolarHBondContact O-N 3.03Å |
| 29 | K | 94.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 58 Ų | 58 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.4 | -45.6 | -175.8 | -150.4 | 75.2 | 167.3 | -178.3 | 0 | 112 | K25 V26 C27 R32 K33 E44 E48 | K25-K29 WeakPolarHBondContact O-CB 3.38Å; K25-K29 PolarHBondContact O-N 2.98Å; V26-K29 PolarHBondContact O-N 3.29Å; C27-K29 VanDerWaalsContact C-N 3.27Å; C27-K29 PolarHBondContact O-N 3.07Å; K29-R32 PolarHBondContact O-N 3.31Å; K29-K33 PolarHBondContact O-N 3.29Å; K29-K33 VanDerWaalsContact O-N 3.09Å; K29-E44 WeakPolarHBondContact CE-OE2 3.34Å; K29-E44 IonicContact NZ-OE2 2.83Å; K29-E44 PolarHBondContact NZ-OE2 2.86Å; K29-E48 IonicContact NZ-OE1 2.68Å; K29-E48 PolarHBondContact NZ-OE1 3.05Å |
| 30 | V | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | V26 C27 R32 K33 G34 T36 V41 L76 I85 I92 W94 | V26-V30 HydrophobicContact CG1-CG2 4.44Å; V26-V30 VanDerWaalsContact O-CG2 3.31Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.38Å; C27-V30 PolarHBondContact O-N 2.51Å; V30-R32 PolarHBondContact O-N 3.13Å; V30-K33 PolarHBondContact O-N 2.85Å; V30-G34 PolarHBondContact O-N 2.99Å; V30-T36 HydrophobicContact CB-CG2 4.39Å; V30-T36 HydrophobicContact CG1-CG2 4.27Å; V30-T36 HydrophobicContact CG2-CG2 3.92Å; V30-V41 HydrophobicContact CG2-CG2 4.18Å; V30-L76 HydrophobicContact CG2-CD2 4.24Å; V30-I85 HydrophobicContact CB-CG2 4.47Å; V30-I85 HydrophobicContact CG1-CG2 3.77Å; V30-I92 HydrophobicContact CG1-CG2 4Å; V30-I92 HydrophobicContact CG2-CG2 4.39Å; V30-W94 HydrophobicContact CB-CE3 4.37Å; V30-W94 HydrophobicContact CG1-CB 4.21Å; V30-W94 HydrophobicContact CG1-CE3 4.15Å |
| 31 | Q | 92.4 | Very high | 93.9 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 175.4 | -176.2 | 178 | 21.8 | 0 | 0 | 112.5 | C27 W94 | C27-Q31 WeakPolarHBondContact O-CB 3.35Å; C27-Q31 PolarHBondContact O-N 3.2Å; Q31-W94 HydrophobicContact CB-CD2 3.77Å; Q31-W94 HydrophobicContact CB-CE3 3.77Å; Q31-W94 HydrophobicContact CB-CG 4.46Å; Q31-W94 HydrophobicContact CB-CH2 3.91Å; Q31-W94 HydrophobicContact CB-CZ2 3.91Å; Q31-W94 HydrophobicContact CB-CZ3 3.84Å; Q31-W94 HydrophobicContact CG-CD2 4.06Å; Q31-W94 HydrophobicContact CG-CE3 4.49Å; Q31-W94 HydrophobicContact CG-CH2 4.18Å; Q31-W94 HydrophobicContact CG-CZ2 3.71Å |
| 32 | R | 93.8 | Very high | 94.1 | Very high | 177 Ų | 177 | 45.5 Ų | 45.5 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -68.3 | -39.6 | -178.1 | -170.6 | -175.8 | -58.3 | 133.1 | 7.4 | 112.7 | E28 K29 V30 | E28-R32 WeakPolarHBondContact O-CB 3.22Å; E28-R32 PolarHBondContact O-N 3.03Å; K29-R32 PolarHBondContact O-N 3.31Å; V30-R32 PolarHBondContact O-N 3.13Å |
| 33 | K | 92.6 | Very high | 94.1 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -80 | -25.3 | -178.7 | -72.2 | 178.7 | 176.3 | -86.7 | 0 | 112.6 | K29 V30 T35 E40 E44 | K29-K33 PolarHBondContact O-N 3.29Å; K29-K33 VanDerWaalsContact O-N 3.09Å; V30-K33 PolarHBondContact O-N 2.85Å; K33-T35 PolarHBondContact O-N 3.22Å; K33-E40 WeakPolarHBondContact CE-OE1 3.5Å; K33-E40 IonicContact NZ-OE1 3.74Å; K33-E40 PolarHBondContact NZ-OE1 3.45Å; K33-E44 WeakPolarHBondContact CE-OE1 3.42Å; K33-E44 IonicContact NZ-OE1 2.69Å; K33-E44 PolarHBondContact NZ-OE1 3.29Å; K33-E44 IonicContact NZ-OE2 3.22Å |
| 34 | G | 89.8 | Confident | 94.1 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 73.2 | -52.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V30 K93 W94 | V30-G34 PolarHBondContact O-N 2.99Å; G34-K93 CarbonylContact O-C 3.58Å; G34-K93 WeakPolarHBondContact O-CA 3.17Å; G34-W94 PolarHBondContact O-N 2.92Å |
| 35 | T | 94.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 44% | 0.436 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133.3 | 171.7 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | K33 E91 I92 K93 | K33-T35 PolarHBondContact O-N 3.22Å; T35-E91 HydrophobicContact CG2-CG 3.51Å; T35-I92 CarbonylContact C-O 3.53Å; T35-I92 WeakPolarHBondContact CA-O 3.12Å; T35-K93 HydrophobicContact CG2-CG 4.06Å |
| 36 | T | 96.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | -175.4 | -176 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | V30 E40 V41 I92 | V30-T36 HydrophobicContact CB-CG2 4.39Å; V30-T36 HydrophobicContact CG1-CG2 4.27Å; V30-T36 HydrophobicContact CG2-CG2 3.92Å; T36-E40 WeakPolarHBondContact CA-OE2 3.33Å; T36-E40 WeakPolarHBondContact CB-OE2 3.28Å; T36-E40 PolarHBondContact OG1-OE2 3.45Å; T36-V41 HydrophobicContact CG2-CG2 3.56Å; T36-I92 HydrophobicContact CG2-CB 4.21Å; T36-I92 HydrophobicContact CG2-CG2 4.47Å; T36-I92 PolarHBondContact N-O 3.33Å; T36-I92 PolarHBondContact O-N 3.37Å |
| 37 | S | 97 | Very high | 93.6 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 162.1 | 175.2 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | N39 E40 V41 K90 | S37-N39 VanDerWaalsContact C-N 3.32Å; S37-N39 PolarHBondContact O-N 3.1Å; S37-E40 PolarHBondContact N-OE2 2.9Å; S37-E40 PolarHBondContact O-N 3.19Å; S37-E40 WeakPolarHBondContact OG-CB 3.02Å; S37-E40 PolarHBondContact OG-N 3.09Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 3.42Å; S37-K90 WeakPolarHBondContact CA-O 3.17Å; S37-K90 VanDerWaalsContact CB-O 3.29Å; S37-K90 WeakPolarHBondContact CB-O 3.23Å |
| 38 | Y | 96.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.8 | -46.8 | 177.3 | 165.8 | -95 | 0 | 0 | 0 | 112.6 | V41 A42 R69 V72 Y73 L76 | Y38-V41 PolarHBondContact O-N 3.41Å; Y38-A42 HydrophobicContact CE1-CB 4.28Å; Y38-A42 HydrophobicContact CE2-CB 4.29Å; Y38-A42 VanDerWaalsContact O-CB 3.24Å; Y38-A42 WeakPolarHBondContact O-CB 3.28Å; Y38-A42 PolarHBondContact O-N 3.2Å; Y38-R69 WeakPolarHBondContact OH-CA 3.26Å; Y38-R69 VanDerWaalsContact OH-CB 3.28Å; Y38-R69 WeakPolarHBondContact OH-CB 3.26Å; Y38-R69 PolarHBondContact OH-O 3.16Å; Y38-R69 VanDerWaalsContact OH-O 3.05Å; Y38-V72 HydrophobicContact CD2-CG1 3.89Å; Y38-V72 HydrophobicContact CE2-CB 4.09Å; Y38-V72 HydrophobicContact CE2-CG1 3.71Å; Y38-Y73 AromaticContact CD1-CE1 4Å; Y38-Y73 HydrophobicContact CD1-CE1 4Å; Y38-Y73 AromaticContact CD1-CZ 3.85Å; Y38-Y73 WeakPolarHBondContact CD1-OH 3.3Å; Y38-Y73 AromaticContact CD2-CD1 3.63Å; Y38-Y73 HydrophobicContact CD2-CD1 3.63Å; Y38-Y73 AromaticContact CD2-CE1 3.31Å; Y38-Y73 HydrophobicContact CD2-CE1 3.31Å; Y38-Y73 HydrophobicContact CD2-CE2 4.44Å; Y38-Y73 HydrophobicContact CD2-CG 4.31Å; Y38-Y73 AromaticContact CD2-CZ 3.78Å; Y38-Y73 AromaticContact CE1-CE1 3.94Å; Y38-Y73 HydrophobicContact CE1-CE1 3.94Å; Y38-Y73 AromaticContact CE1-CE2 3.91Å; Y38-Y73 HydrophobicContact CE1-CE2 3.91Å; Y38-Y73 AromaticContact CE1-CZ 3.36Å; Y38-Y73 WeakPolarHBondContact CE1-OH 3.37Å; Y38-Y73 AromaticContact CE2-CD1 3.42Å; Y38-Y73 HydrophobicContact CE2-CD1 3.42Å; Y38-Y73 VanDerWaalsContact CE2-CD1 3.42Å; Y38-Y73 AromaticContact CE2-CD2 3.68Å; Y38-Y73 HydrophobicContact CE2-CD2 3.68Å; Y38-Y73 AromaticContact CE2-CE1 3.2Å; Y38-Y73 HydrophobicContact CE2-CE1 3.2Å; Y38-Y73 AromaticContact CE2-CE2 3.5Å; Y38-Y73 HydrophobicContact CE2-CE2 3.5Å; Y38-Y73 AromaticContact CE2-CG 3.65Å; Y38-Y73 HydrophobicContact CE2-CG 3.65Å; Y38-Y73 AromaticContact CE2-CZ 3.25Å; Y38-Y73 HydrophobicContact CG-CD1 4.45Å; Y38-Y73 AromaticContact CG-CE1 3.73Å; Y38-Y73 HydrophobicContact CG-CE1 3.73Å; Y38-Y73 AromaticContact CZ-CD2 3.8Å; Y38-Y73 AromaticContact CZ-CE1 3.55Å; Y38-Y73 AromaticContact CZ-CE2 3.18Å; Y38-Y73 AromaticContact CZ-CZ 3.03Å; Y38-Y73 VanDerWaalsContact CZ-OH 3.25Å; Y38-Y73 WeakPolarHBondContact OH-CD2 3.4Å; Y38-Y73 WeakPolarHBondContact OH-CE2 3.36Å; Y38-L76 HydrophobicContact CD2-CD1 3.92Å |
| 39 | N | 94.8 | Very high | 92.7 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -44.6 | -176.8 | -71.6 | -31.2 | 0 | 0 | 0 | 110.5 | S37 V41 A42 D43 | S37-N39 VanDerWaalsContact C-N 3.32Å; S37-N39 PolarHBondContact O-N 3.1Å; N39-V41 PolarHBondContact O-N 3.31Å; N39-A42 PolarHBondContact O-N 3.28Å; N39-D43 VanDerWaalsContact O-CB 3.25Å; N39-D43 WeakPolarHBondContact O-CB 3.23Å; N39-D43 PolarHBondContact O-N 3.37Å |
| 40 | E | 94.4 | Very high | 92 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.318 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.6 | -49 | 177.8 | -174.6 | -176 | -172.5 | 0 | 0 | 111.9 | K33 T36 S37 A42 E44 | K33-E40 WeakPolarHBondContact CE-OE1 3.5Å; K33-E40 IonicContact NZ-OE1 3.74Å; K33-E40 PolarHBondContact NZ-OE1 3.45Å; T36-E40 WeakPolarHBondContact CA-OE2 3.33Å; T36-E40 WeakPolarHBondContact CB-OE2 3.28Å; T36-E40 PolarHBondContact OG1-OE2 3.45Å; S37-E40 PolarHBondContact N-OE2 2.9Å; S37-E40 PolarHBondContact O-N 3.19Å; S37-E40 WeakPolarHBondContact OG-CB 3.02Å; S37-E40 PolarHBondContact OG-N 3.09Å; E40-A42 PolarHBondContact O-N 3.47Å; E40-E44 WeakPolarHBondContact CG-OE1 3.32Å; E40-E44 WeakPolarHBondContact O-CB 3.41Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 2.88Å; E40-E44 VanDerWaalsContact O-N 3.11Å |
| 41 | V | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.9 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | V26 V30 T36 S37 Y38 N39 L45 V72 | V26-V41 HydrophobicContact CG1-CG1 4.34Å; V26-V41 HydrophobicContact CG2-CG1 4.11Å; V30-V41 HydrophobicContact CG2-CG2 4.18Å; T36-V41 HydrophobicContact CG2-CG2 3.56Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 3.42Å; Y38-V41 PolarHBondContact O-N 3.41Å; N39-V41 PolarHBondContact O-N 3.31Å; V41-L45 HydrophobicContact CG1-CD1 4.02Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 WeakPolarHBondContact O-CG 3.07Å; V41-L45 PolarHBondContact O-N 3.35Å; V41-V72 HydrophobicContact CG1-CG1 4.13Å |
| 42 | A | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.4 | -43.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y38 N39 E40 L45 V46 R69 V72 | Y38-A42 HydrophobicContact CE1-CB 4.28Å; Y38-A42 HydrophobicContact CE2-CB 4.29Å; Y38-A42 VanDerWaalsContact O-CB 3.24Å; Y38-A42 WeakPolarHBondContact O-CB 3.28Å; Y38-A42 PolarHBondContact O-N 3.2Å; N39-A42 PolarHBondContact O-N 3.28Å; E40-A42 PolarHBondContact O-N 3.47Å; A42-L45 PolarHBondContact O-N 2.99Å; A42-V46 WeakPolarHBondContact O-CB 3.42Å; A42-V46 WeakPolarHBondContact O-CG2 3.42Å; A42-V46 PolarHBondContact O-N 3.4Å; A42-R69 HydrophobicContact CB-CG 4.25Å; A42-V72 HydrophobicContact CB-CG1 4.48Å; A42-V72 HydrophobicContact CB-CG2 4.49Å |
| 43 | D | 93.1 | Very high | 88.2 | Confident | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | -176.5 | -65.2 | -22.3 | 0 | 0 | 0 | 111.1 | N39 V46 S47 R69 | N39-D43 VanDerWaalsContact O-CB 3.25Å; N39-D43 WeakPolarHBondContact O-CB 3.23Å; N39-D43 PolarHBondContact O-N 3.37Å; D43-V46 PolarHBondContact O-N 2.87Å; D43-S47 WeakPolarHBondContact O-CB 3.41Å; D43-S47 PolarHBondContact O-N 2.95Å; D43-R69 IonicContact OD1-CZ 3.15Å; D43-R69 VanDerWaalsContact OD1-CZ 3.26Å; D43-R69 IonicContact OD1-NH1 3.7Å; D43-R69 PolarHBondContact OD1-NH1 2.98Å; D43-R69 IonicContact OD1-NH2 3.51Å; D43-R69 PolarHBondContact OD1-NH2 3.02Å |
| 44 | E | 93.2 | Very high | 86.5 | Confident | 58 Ų | 58 | 50.9 Ų | 50.9 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 174.3 | -72.9 | -173.7 | -132 | 0 | 0 | 112.1 | K29 K33 E40 S47 E48 | K29-E44 WeakPolarHBondContact CE-OE2 3.34Å; K29-E44 IonicContact NZ-OE2 2.83Å; K29-E44 PolarHBondContact NZ-OE2 2.86Å; K33-E44 WeakPolarHBondContact CE-OE1 3.42Å; K33-E44 IonicContact NZ-OE1 2.69Å; K33-E44 PolarHBondContact NZ-OE1 3.29Å; K33-E44 IonicContact NZ-OE2 3.22Å; E40-E44 WeakPolarHBondContact CG-OE1 3.32Å; E40-E44 WeakPolarHBondContact O-CB 3.41Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 2.88Å; E40-E44 VanDerWaalsContact O-N 3.11Å; E44-S47 PolarHBondContact O-N 2.88Å; E44-E48 WeakPolarHBondContact O-CB 3.47Å; E44-E48 WeakPolarHBondContact O-CG 3.34Å; E44-E48 PolarHBondContact O-N 3.3Å |
| 45 | L | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 176.3 | -69.5 | 177.5 | 0 | 0 | 0 | 112.5 | K25 V26 V41 A42 F49 I68 V72 | K25-L45 HydrophobicContact CB-CD2 3.71Å; K25-L45 HydrophobicContact CG-CD2 4.47Å; V26-L45 HydrophobicContact CG2-CD1 3.59Å; V41-L45 HydrophobicContact CG1-CD1 4.02Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 WeakPolarHBondContact O-CG 3.07Å; V41-L45 PolarHBondContact O-N 3.35Å; A42-L45 PolarHBondContact O-N 2.99Å; L45-F49 WeakPolarHBondContact O-CB 3.38Å; L45-F49 VanDerWaalsContact O-CD2 3.25Å; L45-F49 WeakPolarHBondContact O-CD2 3.35Å; L45-F49 PolarHBondContact O-N 2.88Å; L45-I68 HydrophobicContact CB-CG2 4Å; L45-V72 HydrophobicContact CD1-CG2 3.78Å |
| 46 | V | 90.4 | Very high | 83.1 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 172.9 | 170.1 | 0 | 0 | 0 | 0 | 109.8 | A42 D43 E48 F49 T50 Q65 I68 | A42-V46 WeakPolarHBondContact O-CB 3.42Å; A42-V46 WeakPolarHBondContact O-CG2 3.42Å; A42-V46 PolarHBondContact O-N 3.4Å; D43-V46 PolarHBondContact O-N 2.87Å; V46-E48 PolarHBondContact O-N 2.99Å; V46-F49 PolarHBondContact O-N 3.42Å; V46-T50 HydrophobicContact CG1-CG2 4.2Å; V46-T50 WeakPolarHBondContact O-CG2 3.34Å; V46-T50 PolarHBondContact O-N 3.19Å; V46-T50 PolarHBondContact O-OG1 2.98Å; V46-T50 VanDerWaalsContact O-OG1 3.06Å; V46-Q65 HydrophobicContact CG1-CB 4.13Å; V46-Q65 HydrophobicContact CG1-CG 3.85Å; V46-Q65 HydrophobicContact CG2-CB 4.42Å; V46-Q65 HydrophobicContact CG2-CG 3.87Å; V46-I68 HydrophobicContact CG2-CB 4Å; V46-I68 HydrophobicContact CG2-CD1 4.14Å; V46-I68 HydrophobicContact CG2-CG2 3.84Å |
| 47 | S | 88.4 | Confident | 81.4 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | D43 E44 F49 T50 N51 | D43-S47 WeakPolarHBondContact O-CB 3.41Å; D43-S47 PolarHBondContact O-N 2.95Å; E44-S47 PolarHBondContact O-N 2.88Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 3.36Å; S47-T50 WeakPolarHBondContact CA-OG1 3.3Å; S47-T50 PolarHBondContact O-N 3.25Å; S47-T50 PolarHBondContact O-OG1 3.02Å; S47-T50 VanDerWaalsContact O-OG1 3.06Å; S47-N51 WeakPolarHBondContact O-CB 3.4Å; S47-N51 PolarHBondContact O-N 3.49Å; S47-N51 PolarHBondContact O-ND2 3.37Å; S47-N51 PolarHBondContact O-OD1 2.91Å |
| 48 | E | 87.3 | Confident | 79.7 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 177.2 | -75.2 | 175.8 | -163.3 | 0 | 0 | 112 | K29 E44 V46 S52 | K29-E48 IonicContact NZ-OE1 2.68Å; K29-E48 PolarHBondContact NZ-OE1 3.05Å; E44-E48 WeakPolarHBondContact O-CB 3.47Å; E44-E48 WeakPolarHBondContact O-CG 3.34Å; E44-E48 PolarHBondContact O-N 3.3Å; V46-E48 PolarHBondContact O-N 2.99Å; E48-S52 WeakPolarHBondContact O-CB 3.28Å; E48-S52 PolarHBondContact O-N 3.28Å; E48-S52 PolarHBondContact O-OG 3.11Å |
| 49 | F | 81.5 | Confident | 78.1 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -80.6 | -29.4 | -178.5 | -88.8 | -96.4 | 0 | 0 | 0 | 114.6 | G16 H21 F22 L45 V46 S47 I68 | G16-F49 WeakPolarHBondContact O-CE1 3.45Å; H21-F49 AromaticContact CD2-CZ 3.49Å; H21-F49 VanDerWaalsContact CD2-CZ 3.49Å; H21-F49 WeakPolarHBondContact CD2-CZ 3.43Å; H21-F49 AromaticContact NE2-CZ 3.41Å; H21-F49 WeakPolarHBondContact NE2-CZ 3.42Å; F22-F49 HydrophobicContact CD1-CE2 4.41Å; F22-F49 HydrophobicContact CD1-CZ 4.48Å; F22-F49 HydrophobicContact CE1-CD1 4.45Å; F22-F49 HydrophobicContact CE1-CD2 4.23Å; F22-F49 HydrophobicContact CE1-CE1 4.12Å; F22-F49 AromaticContact CE1-CE2 3.86Å; F22-F49 HydrophobicContact CE1-CE2 3.86Å; F22-F49 HydrophobicContact CE1-CG 4.49Å; F22-F49 AromaticContact CE1-CZ 3.8Å; F22-F49 HydrophobicContact CE1-CZ 3.8Å; F22-F49 HydrophobicContact CZ-CE1 4.38Å; F22-F49 HydrophobicContact CZ-CZ 4.45Å; L45-F49 WeakPolarHBondContact O-CB 3.38Å; L45-F49 VanDerWaalsContact O-CD2 3.25Å; L45-F49 WeakPolarHBondContact O-CD2 3.35Å; L45-F49 PolarHBondContact O-N 2.88Å; V46-F49 PolarHBondContact O-N 3.42Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 3.36Å; F49-I68 HydrophobicContact CB-CD1 3.86Å; F49-I68 HydrophobicContact CG-CD1 4.26Å |
| 50 | T | 80.1 | Confident | 76.8 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.7 | -41.5 | 173 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | V46 S47 S52 N53 | V46-T50 HydrophobicContact CG1-CG2 4.2Å; V46-T50 WeakPolarHBondContact O-CG2 3.34Å; V46-T50 PolarHBondContact O-N 3.19Å; V46-T50 PolarHBondContact O-OG1 2.98Å; V46-T50 VanDerWaalsContact O-OG1 3.06Å; S47-T50 WeakPolarHBondContact CA-OG1 3.3Å; S47-T50 PolarHBondContact O-N 3.25Å; S47-T50 PolarHBondContact O-OG1 3.02Å; S47-T50 VanDerWaalsContact O-OG1 3.06Å; T50-S52 VanDerWaalsContact C-N 3.29Å; T50-S52 PolarHBondContact O-N 3.48Å; T50-N53 CarbonylContact O-C 3.57Å; T50-N53 PolarHBondContact O-N 3.23Å |
| 51 | N | 70.1 | Confident | 75.6 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.8 | -25.1 | 180 | -66.6 | -5.3 | 0 | 0 | 0 | 113 | S47 N53 N54 | S47-N51 WeakPolarHBondContact O-CB 3.4Å; S47-N51 PolarHBondContact O-N 3.49Å; S47-N51 PolarHBondContact O-ND2 3.37Å; S47-N51 PolarHBondContact O-OD1 2.91Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N54 PolarHBondContact O-OD1 3.5Å |
| 52 | S | 67.5 | Low | 74.6 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 69% | 0.692 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.2 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | E48 T50 | E48-S52 WeakPolarHBondContact O-CB 3.28Å; E48-S52 PolarHBondContact O-N 3.28Å; E48-S52 PolarHBondContact O-OG 3.11Å; T50-S52 VanDerWaalsContact C-N 3.29Å; T50-S52 PolarHBondContact O-N 3.48Å |
| 53 | N | 62.6 | Low | 73.8 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | trans | -118.8 | 66.7 | -178.1 | -81.1 | -38.1 | 0 | 0 | 0 | 110.9 | T50 N51 H55 L56 | T50-N53 CarbonylContact O-C 3.57Å; T50-N53 PolarHBondContact O-N 3.23Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N53-H55 PolarHBondContact O-N 3.05Å; N53-L56 HydrophobicContact CB-CD1 4.21Å | ||
| 54 | N | 56.6 | Low | 73.3 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 19.1 | -176.9 | -83.1 | -19.5 | 0 | 0 | 0 | 116.3 | N51 | N51-N54 PolarHBondContact O-OD1 3.5Š|
| 55 | H | 54.8 | Low | 73 | Confident | 190 Ų | 190 | 77.5 Ų | 77.5 | 88% | 0.88 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.9 | 23.7 | -173 | -95.3 | -60.3 | 0 | 0 | 0 | 116.8 | N53 | N53-H55 PolarHBondContact O-N 3.05Š|
| 56 | L | 58.4 | Low | 73 | Confident | 82 Ų | 82 | 85.1 Ų | 85.1 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | trans | -111.9 | 143.5 | 179.6 | -68.5 | 170.5 | 0 | 0 | 0 | 113.4 | N53 | N53-L56 HydrophobicContact CB-CD1 4.21Š| ||
| 57 | A | 61.1 | Low | 72.9 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | trans | -58.3 | 148.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | D59 S60 Q61 | A57-D59 PolarHBondContact O-N 2.96Å; A57-D59 VanDerWaalsContact O-N 3.11Å; A57-S60 WeakPolarHBondContact O-CB 3.42Å; A57-S60 PolarHBondContact O-N 3.36Å; A57-Q61 PolarHBondContact O-N 3.34Å | ||
| 58 | A | 62.4 | Low | 73.1 | Confident | 74 Ų | 74 | 84.7 Ų | 84.7 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -51.9 | -36.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S60 Q61 A62 | A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.21Å; A58-Q61 PolarHBondContact O-N 3.04Å; A58-A62 PolarHBondContact O-N 3.47Å |
| 59 | D | 62.7 | Low | 73.4 | Confident | 146 Ų | 146 | 84.4 Ų | 84.4 | 78% | 0.781 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.5 | -30.7 | 179 | -70 | -19.8 | 0 | 0 | 0 | 113.4 | A57 Y63 | A57-D59 PolarHBondContact O-N 2.96Å; A57-D59 VanDerWaalsContact O-N 3.11Å; D59-Y63 PolarHBondContact O-N 2.97Å |
| 60 | S | 67.2 | Low | 74 | Confident | 45 Ų | 45 | 88.6 Ų | 88.6 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.4 | -34.9 | 176.8 | -167.8 | 0 | 0 | 0 | 0 | 111.4 | A57 A58 Y63 D64 | A57-S60 WeakPolarHBondContact O-CB 3.42Å; A57-S60 PolarHBondContact O-N 3.36Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.21Å; S60-Y63 PolarHBondContact O-N 3.35Å; S60-D64 WeakPolarHBondContact O-CB 3.31Å; S60-D64 PolarHBondContact O-N 2.98Å |
| 61 | Q | 69.4 | Low | 74.8 | Confident | 83 Ų | 83 | 90.5 Ų | 90.5 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 177.9 | -64.3 | -175.6 | -20.4 | 0 | 0 | 111.9 | A57 A58 Y63 D64 Q65 | A57-Q61 PolarHBondContact O-N 3.34Å; A58-Q61 PolarHBondContact O-N 3.04Å; Q61-Y63 VanDerWaalsContact C-N 3.35Å; Q61-Y63 PolarHBondContact O-N 3.11Å; Q61-D64 PolarHBondContact O-N 3.34Å; Q61-Q65 PolarHBondContact O-N 3.25Å |
| 62 | A | 73.8 | Confident | 76 | Confident | 51 Ų | 51 | 85.5 Ų | 85.5 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A58 K66 | A58-A62 PolarHBondContact O-N 3.47Å; A62-K66 PolarHBondContact O-N 3.38Å |
| 63 | Y | 77.4 | Confident | 77.3 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 63% | 0.627 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.9 | -45.5 | 175 | -178.5 | -96 | 0 | 0 | 0 | 111.8 | D59 S60 Q61 Q65 K66 N67 | D59-Y63 PolarHBondContact O-N 2.97Å; S60-Y63 PolarHBondContact O-N 3.35Å; Q61-Y63 VanDerWaalsContact C-N 3.35Å; Q61-Y63 PolarHBondContact O-N 3.11Å; Y63-Q65 VanDerWaalsContact C-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.95Å; Y63-K66 PolarHBondContact O-N 3.34Å; Y63-N67 WeakPolarHBondContact O-CB 3.33Å; Y63-N67 PolarHBondContact O-N 3.41Å |
| 64 | D | 82.1 | Confident | 78.9 | Confident | 32 Ų | 32 | 84.3 Ų | 84.3 | 17% | 0.171 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.4 | -84.3 | -2 | 0 | 0 | 0 | 111 | K17 S60 Q61 N67 I68 | K17-D64 IonicContact NZ-OD1 3.9Å; K17-D64 IonicContact NZ-OD2 2.79Å; K17-D64 PolarHBondContact NZ-OD2 2.95Å; S60-D64 WeakPolarHBondContact O-CB 3.31Å; S60-D64 PolarHBondContact O-N 2.98Å; Q61-D64 PolarHBondContact O-N 3.34Å; D64-N67 PolarHBondContact O-N 3.32Å; D64-I68 WeakPolarHBondContact O-CG1 3.33Å; D64-I68 PolarHBondContact O-N 3.36Å |
| 65 | Q | 88.4 | Confident | 80.8 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 174.8 | -175.7 | 178.1 | 38 | 0 | 0 | 112.8 | V46 Q61 Y63 N67 I68 R69 | V46-Q65 HydrophobicContact CG1-CB 4.13Å; V46-Q65 HydrophobicContact CG1-CG 3.85Å; V46-Q65 HydrophobicContact CG2-CB 4.42Å; V46-Q65 HydrophobicContact CG2-CG 3.87Å; Q61-Q65 PolarHBondContact O-N 3.25Å; Y63-Q65 VanDerWaalsContact C-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.95Å; Q65-N67 VanDerWaalsContact C-N 3.28Å; Q65-N67 PolarHBondContact O-N 3.48Å; Q65-I68 PolarHBondContact O-N 3.18Å; Q65-R69 WeakPolarHBondContact O-CB 3.36Å; Q65-R69 WeakPolarHBondContact O-CG 3.46Å; Q65-R69 PolarHBondContact O-N 2.95Å |
| 66 | K | 89.9 | Confident | 82.7 | Confident | 160 Ų | 160 | 69.2 Ų | 69.2 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | 177.4 | -71.8 | -179.3 | -177.3 | 177.3 | 0 | 111.4 | A62 Y63 R70 | A62-K66 PolarHBondContact O-N 3.38Å; Y63-K66 PolarHBondContact O-N 3.34Å; K66-R70 PolarHBondContact O-N 3.37Å; K66-R70 VanDerWaalsContact O-N 3.12Å |
| 67 | N | 90.1 | Very high | 84.5 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -50.9 | 178.1 | -167.2 | -88.8 | 0 | 0 | 0 | 111.8 | Y63 D64 Q65 R69 R70 R71 | Y63-N67 WeakPolarHBondContact O-CB 3.33Å; Y63-N67 PolarHBondContact O-N 3.41Å; D64-N67 PolarHBondContact O-N 3.32Å; Q65-N67 VanDerWaalsContact C-N 3.28Å; Q65-N67 PolarHBondContact O-N 3.48Å; N67-R69 PolarHBondContact O-N 3.15Å; N67-R70 PolarHBondContact O-N 3.47Å; N67-R71 VanDerWaalsContact O-CG 3.28Å; N67-R71 WeakPolarHBondContact O-CG 3.34Å; N67-R71 PolarHBondContact O-N 2.89Å |
| 68 | I | 90.9 | Very high | 86 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.6 | -49.4 | 178.9 | -66.6 | 165.4 | 0 | 0 | 0 | 109.9 | F22 L45 V46 F49 D64 Q65 R70 R71 V72 | F22-I68 HydrophobicContact CE1-CB 4.49Å; F22-I68 HydrophobicContact CE1-CD1 4.4Å; F22-I68 HydrophobicContact CE1-CG1 3.71Å; F22-I68 HydrophobicContact CE1-CG2 4.32Å; F22-I68 HydrophobicContact CZ-CG1 3.66Å; L45-I68 HydrophobicContact CB-CG2 4Å; V46-I68 HydrophobicContact CG2-CB 4Å; V46-I68 HydrophobicContact CG2-CD1 4.14Å; V46-I68 HydrophobicContact CG2-CG2 3.84Å; F49-I68 HydrophobicContact CB-CD1 3.86Å; F49-I68 HydrophobicContact CG-CD1 4.26Å; D64-I68 WeakPolarHBondContact O-CG1 3.33Å; D64-I68 PolarHBondContact O-N 3.36Å; Q65-I68 PolarHBondContact O-N 3.18Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 2.97Å; I68-R71 PolarHBondContact O-N 3.48Å; I68-V72 HydrophobicContact CG2-CG2 4.21Å; I68-V72 WeakPolarHBondContact O-CG2 3.26Å; I68-V72 PolarHBondContact O-N 3.44Å |
| 69 | R | 94.4 | Very high | 87.5 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.2 | -44 | 177.3 | -79 | -172.2 | -174.3 | -74.9 | 1.3 | 112.9 | Y38 A42 D43 Q65 N67 Y73 | Y38-R69 WeakPolarHBondContact OH-CA 3.26Å; Y38-R69 VanDerWaalsContact OH-CB 3.28Å; Y38-R69 WeakPolarHBondContact OH-CB 3.26Å; Y38-R69 PolarHBondContact OH-O 3.16Å; Y38-R69 VanDerWaalsContact OH-O 3.05Å; A42-R69 HydrophobicContact CB-CG 4.25Å; D43-R69 IonicContact OD1-CZ 3.15Å; D43-R69 VanDerWaalsContact OD1-CZ 3.26Å; D43-R69 IonicContact OD1-NH1 3.7Å; D43-R69 PolarHBondContact OD1-NH1 2.98Å; D43-R69 IonicContact OD1-NH2 3.51Å; D43-R69 PolarHBondContact OD1-NH2 3.02Å; Q65-R69 WeakPolarHBondContact O-CB 3.36Å; Q65-R69 WeakPolarHBondContact O-CG 3.46Å; Q65-R69 PolarHBondContact O-N 2.95Å; N67-R69 PolarHBondContact O-N 3.15Å; R69-Y73 WeakPolarHBondContact O-CD2 3.32Å; R69-Y73 PolarHBondContact O-N 3.33Å |
| 70 | R | 94.8 | Very high | 88.9 | Confident | 125 Ų | 125 | 63.9 Ų | 63.9 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 177 | 179.8 | 66.2 | -167 | 81.6 | 5.9 | 111.7 | K66 N67 I68 Y73 D74 | K66-R70 PolarHBondContact O-N 3.37Å; K66-R70 VanDerWaalsContact O-N 3.12Å; N67-R70 PolarHBondContact O-N 3.47Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 2.97Å; R70-Y73 PolarHBondContact O-N 2.86Å; R70-D74 IonicContact CZ-OD1 3.13Å; R70-D74 IonicContact CZ-OD2 3.45Å; R70-D74 IonicContact NH1-OD1 3.26Å; R70-D74 PolarHBondContact NH1-OD1 3.36Å; R70-D74 IonicContact NH1-OD2 2.65Å; R70-D74 PolarHBondContact NH1-OD2 3.49Å; R70-D74 IonicContact NH2-OD1 2.78Å; R70-D74 PolarHBondContact NH2-OD1 3.18Å; R70-D74 IonicContact NH2-OD2 2.84Å; R70-D74 PolarHBondContact O-N 3.47Å |
| 71 | R | 95.3 | Very high | 90.1 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -34.2 | -179.9 | -63.8 | -72.1 | 85.3 | 141.3 | 1.8 | 112.9 | L19 F22 N67 I68 Y73 D74 A75 | L19-R71 HydrophobicContact CD1-CB 4.29Å; F22-R71 HydrophobicContact CB-CB 4.06Å; F22-R71 HydrophobicContact CD2-CB 3.76Å; F22-R71 HydrophobicContact CD2-CG 3.79Å; F22-R71 HydrophobicContact CE2-CB 4.5Å; F22-R71 HydrophobicContact CE2-CG 4.21Å; F22-R71 HydrophobicContact CG-CB 4.06Å; N67-R71 VanDerWaalsContact O-CG 3.28Å; N67-R71 WeakPolarHBondContact O-CG 3.34Å; N67-R71 PolarHBondContact O-N 2.89Å; I68-R71 PolarHBondContact O-N 3.48Å; R71-Y73 VanDerWaalsContact C-N 3.31Å; R71-Y73 PolarHBondContact O-N 3.01Å; R71-D74 IonicContact CZ-OD2 2.69Å; R71-D74 IonicContact NE-OD2 2.64Å; R71-D74 PolarHBondContact NE-OD2 2.91Å; R71-D74 IonicContact NH2-OD2 2.69Å; R71-D74 PolarHBondContact NH2-OD2 2.95Å; R71-D74 PolarHBondContact O-N 3.02Å; R71-A75 PolarHBondContact O-N 3.22Å |
| 72 | V | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | V26 Y38 V41 A42 L45 I68 A75 L76 | V26-V72 HydrophobicContact CG2-CB 4.29Å; V26-V72 HydrophobicContact CG2-CG1 4.14Å; V26-V72 HydrophobicContact CG2-CG2 3.89Å; Y38-V72 HydrophobicContact CD2-CG1 3.89Å; Y38-V72 HydrophobicContact CE2-CB 4.09Å; Y38-V72 HydrophobicContact CE2-CG1 3.71Å; V41-V72 HydrophobicContact CG1-CG1 4.13Å; A42-V72 HydrophobicContact CB-CG1 4.48Å; A42-V72 HydrophobicContact CB-CG2 4.49Å; L45-V72 HydrophobicContact CD1-CG2 3.78Å; I68-V72 HydrophobicContact CG2-CG2 4.21Å; I68-V72 WeakPolarHBondContact O-CG2 3.26Å; I68-V72 PolarHBondContact O-N 3.44Å; V72-A75 PolarHBondContact O-N 2.94Å; V72-L76 HydrophobicContact CG1-CD1 3.75Å; V72-L76 HydrophobicContact CG1-CG 4.23Å; V72-L76 WeakPolarHBondContact O-CB 3.43Å; V72-L76 VanDerWaalsContact O-CG 3.27Å; V72-L76 WeakPolarHBondContact O-CG 3.26Å; V72-L76 PolarHBondContact O-N 3.18Å |
| 73 | Y | 95.4 | Very high | 91.7 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.2 | -72.9 | -61.1 | 0 | 0 | 0 | 113.1 | Y38 R69 R70 R71 A75 L76 N77 | Y38-Y73 AromaticContact CD1-CE1 4Å; Y38-Y73 HydrophobicContact CD1-CE1 4Å; Y38-Y73 AromaticContact CD1-CZ 3.85Å; Y38-Y73 WeakPolarHBondContact CD1-OH 3.3Å; Y38-Y73 AromaticContact CD2-CD1 3.63Å; Y38-Y73 HydrophobicContact CD2-CD1 3.63Å; Y38-Y73 AromaticContact CD2-CE1 3.31Å; Y38-Y73 HydrophobicContact CD2-CE1 3.31Å; Y38-Y73 HydrophobicContact CD2-CE2 4.44Å; Y38-Y73 HydrophobicContact CD2-CG 4.31Å; Y38-Y73 AromaticContact CD2-CZ 3.78Å; Y38-Y73 AromaticContact CE1-CE1 3.94Å; Y38-Y73 HydrophobicContact CE1-CE1 3.94Å; Y38-Y73 AromaticContact CE1-CE2 3.91Å; Y38-Y73 HydrophobicContact CE1-CE2 3.91Å; Y38-Y73 AromaticContact CE1-CZ 3.36Å; Y38-Y73 WeakPolarHBondContact CE1-OH 3.37Å; Y38-Y73 AromaticContact CE2-CD1 3.42Å; Y38-Y73 HydrophobicContact CE2-CD1 3.42Å; Y38-Y73 VanDerWaalsContact CE2-CD1 3.42Å; Y38-Y73 AromaticContact CE2-CD2 3.68Å; Y38-Y73 HydrophobicContact CE2-CD2 3.68Å; Y38-Y73 AromaticContact CE2-CE1 3.2Å; Y38-Y73 HydrophobicContact CE2-CE1 3.2Å; Y38-Y73 AromaticContact CE2-CE2 3.5Å; Y38-Y73 HydrophobicContact CE2-CE2 3.5Å; Y38-Y73 AromaticContact CE2-CG 3.65Å; Y38-Y73 HydrophobicContact CE2-CG 3.65Å; Y38-Y73 AromaticContact CE2-CZ 3.25Å; Y38-Y73 HydrophobicContact CG-CD1 4.45Å; Y38-Y73 AromaticContact CG-CE1 3.73Å; Y38-Y73 HydrophobicContact CG-CE1 3.73Å; Y38-Y73 AromaticContact CZ-CD2 3.8Å; Y38-Y73 AromaticContact CZ-CE1 3.55Å; Y38-Y73 AromaticContact CZ-CE2 3.18Å; Y38-Y73 AromaticContact CZ-CZ 3.03Å; Y38-Y73 VanDerWaalsContact CZ-OH 3.25Å; Y38-Y73 WeakPolarHBondContact OH-CD2 3.4Å; Y38-Y73 WeakPolarHBondContact OH-CE2 3.36Å; R69-Y73 WeakPolarHBondContact O-CD2 3.32Å; R69-Y73 PolarHBondContact O-N 3.33Å; R70-Y73 PolarHBondContact O-N 2.86Å; R71-Y73 VanDerWaalsContact C-N 3.31Å; R71-Y73 PolarHBondContact O-N 3.01Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.31Å; Y73-L76 PolarHBondContact O-N 3.44Å; Y73-N77 WeakPolarHBondContact O-CB 3.47Å; Y73-N77 PolarHBondContact O-N 3.06Å; Y73-N77 PolarHBondContact O-ND2 3.35Å |
| 74 | D | 95.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 176.8 | -69.7 | -41.8 | 0 | 0 | 0 | 111.1 | L19 R70 R71 V78 | L19-D74 HydrophobicContact CD1-CB 3.69Å; L19-D74 HydrophobicContact CD2-CB 4.5Å; R70-D74 IonicContact CZ-OD1 3.13Å; R70-D74 IonicContact CZ-OD2 3.45Å; R70-D74 IonicContact NH1-OD1 3.26Å; R70-D74 PolarHBondContact NH1-OD1 3.36Å; R70-D74 IonicContact NH1-OD2 2.65Å; R70-D74 PolarHBondContact NH1-OD2 3.49Å; R70-D74 IonicContact NH2-OD1 2.78Å; R70-D74 PolarHBondContact NH2-OD1 3.18Å; R70-D74 IonicContact NH2-OD2 2.84Å; R70-D74 PolarHBondContact O-N 3.47Å; R71-D74 IonicContact CZ-OD2 2.69Å; R71-D74 IonicContact NE-OD2 2.64Å; R71-D74 PolarHBondContact NE-OD2 2.91Å; R71-D74 IonicContact NH2-OD2 2.69Å; R71-D74 PolarHBondContact NH2-OD2 2.95Å; R71-D74 PolarHBondContact O-N 3.02Å; D74-V78 WeakPolarHBondContact O-CG2 3.36Å; D74-V78 PolarHBondContact O-N 3.4Å |
| 75 | A | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -49 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V26 R71 V72 Y73 N77 V78 L79 | V26-A75 HydrophobicContact CB-CB 4.08Å; V26-A75 HydrophobicContact CG1-CB 4.11Å; V26-A75 HydrophobicContact CG2-CB 4.11Å; R71-A75 PolarHBondContact O-N 3.22Å; V72-A75 PolarHBondContact O-N 2.94Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.31Å; A75-N77 VanDerWaalsContact C-N 3.33Å; A75-N77 PolarHBondContact O-N 2.9Å; A75-V78 PolarHBondContact O-N 2.85Å; A75-L79 WeakPolarHBondContact O-CB 3.45Å; A75-L79 VanDerWaalsContact O-CG 3.27Å; A75-L79 WeakPolarHBondContact O-CG 3.43Å; A75-L79 PolarHBondContact O-N 3.4Å |
| 76 | L | 95.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | -179.2 | -70.7 | 172.3 | 0 | 0 | 0 | 112.3 | V26 V30 Y38 V72 Y73 V78 L79 M80 I85 I92 | V26-L76 HydrophobicContact CG1-CD2 3.56Å; V26-L76 HydrophobicContact CG1-CG 3.93Å; V30-L76 HydrophobicContact CG2-CD2 4.24Å; Y38-L76 HydrophobicContact CD2-CD1 3.92Å; V72-L76 HydrophobicContact CG1-CD1 3.75Å; V72-L76 HydrophobicContact CG1-CG 4.23Å; V72-L76 WeakPolarHBondContact O-CB 3.43Å; V72-L76 VanDerWaalsContact O-CG 3.27Å; V72-L76 WeakPolarHBondContact O-CG 3.26Å; V72-L76 PolarHBondContact O-N 3.18Å; Y73-L76 PolarHBondContact O-N 3.44Å; L76-V78 PolarHBondContact O-N 2.99Å; L76-L79 PolarHBondContact O-N 3.45Å; L76-M80 VanDerWaalsContact O-CB 3.23Å; L76-M80 WeakPolarHBondContact O-CB 3.4Å; L76-M80 PolarHBondContact O-N 3.43Å; L76-I85 HydrophobicContact CB-CD1 4.31Å; L76-I85 HydrophobicContact CD2-CD1 3.47Å; L76-I85 VanDerWaalsContact CD2-CD1 3.47Å; L76-I92 HydrophobicContact CD1-CD1 3.77Å; L76-I92 HydrophobicContact CD2-CD1 4.1Å; L76-I92 HydrophobicContact CD2-CG2 4.44Å |
| 77 | N | 95.6 | Very high | 93.3 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 179.2 | -72.5 | -9.5 | 0 | 0 | 0 | 111.9 | Y73 A75 A81 | Y73-N77 WeakPolarHBondContact O-CB 3.47Å; Y73-N77 PolarHBondContact O-N 3.06Å; Y73-N77 PolarHBondContact O-ND2 3.35Å; A75-N77 VanDerWaalsContact C-N 3.33Å; A75-N77 PolarHBondContact O-N 2.9Å; N77-A81 WeakPolarHBondContact O-CB 3.4Å; N77-A81 PolarHBondContact O-N 2.94Å |
| 78 | V | 93.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 56% | 0.564 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.8 | -44.7 | 176.3 | 176 | 0 | 0 | 0 | 0 | 111 | D74 A75 L76 M80 A81 M82 | D74-V78 WeakPolarHBondContact O-CG2 3.36Å; D74-V78 PolarHBondContact O-N 3.4Å; A75-V78 PolarHBondContact O-N 2.85Å; L76-V78 PolarHBondContact O-N 2.99Å; V78-M80 PolarHBondContact O-N 2.94Å; V78-A81 PolarHBondContact O-N 3.41Å; V78-M82 HydrophobicContact CG1-CG 4.34Å; V78-M82 WeakPolarHBondContact O-CB 3.49Å; V78-M82 VanDerWaalsContact O-CG 3.3Å; V78-M82 WeakPolarHBondContact O-CG 3.34Å; V78-M82 PolarHBondContact O-N 2.95Å |
| 79 | L | 93.5 | Very high | 93.3 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.3 | -37 | 177.2 | -70.3 | 175.2 | 0 | 0 | 0 | 111.8 | V26 C27 A75 L76 N83 I84 I85 | V26-L79 HydrophobicContact CG1-CD1 4.03Å; C27-L79 HydrophobicContact CB-CD1 4.17Å; A75-L79 WeakPolarHBondContact O-CB 3.45Å; A75-L79 VanDerWaalsContact O-CG 3.27Å; A75-L79 WeakPolarHBondContact O-CG 3.43Å; A75-L79 PolarHBondContact O-N 3.4Å; L76-L79 PolarHBondContact O-N 3.45Å; L79-N83 PolarHBondContact O-N 3.46Å; L79-I84 HydrophobicContact CB-CB 4.43Å; L79-I84 HydrophobicContact CD2-CB 4.26Å; L79-I84 HydrophobicContact CD2-CD1 3.83Å; L79-I84 HydrophobicContact CD2-CG2 4.17Å; L79-I84 WeakPolarHBondContact O-CB 3.49Å; L79-I84 PolarHBondContact O-N 3.49Å; L79-I85 HydrophobicContact CB-CD1 3.69Å; L79-I85 HydrophobicContact CB-CG1 3.82Å; L79-I85 HydrophobicContact CB-CG2 4.4Å; L79-I85 HydrophobicContact CD1-CD1 4.42Å |
| 80 | M | 92.6 | Very high | 93.2 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 175.1 | -171 | -170.4 | -37.3 | 0 | 0 | 111.9 | L76 V78 M82 N83 I85 K87 | L76-M80 VanDerWaalsContact O-CB 3.23Å; L76-M80 WeakPolarHBondContact O-CB 3.4Å; L76-M80 PolarHBondContact O-N 3.43Å; V78-M80 PolarHBondContact O-N 2.94Å; M80-M82 PolarHBondContact O-N 3.01Å; M80-N83 WeakPolarHBondContact O-CA 3.3Å; M80-N83 PolarHBondContact O-N 3.06Å; M80-I85 HydrophobicContact CB-CG1 4.16Å; M80-K87 HydrophobicContact CE-CB 3.57Å; M80-K87 HydrophobicContact CE-CD 3.62Å; M80-K87 HydrophobicContact CE-CG 4.25Å; M80-K87 HydrophobicContact SD-CB 4.05Å |
| 81 | A | 91 | Very high | 93.3 | Very high | 88 Ų | 88 | 73 Ų | 73 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.4 | -30.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N77 V78 N83 | N77-A81 WeakPolarHBondContact O-CB 3.4Å; N77-A81 PolarHBondContact O-N 2.94Å; V78-A81 PolarHBondContact O-N 3.41Å; A81-N83 PolarHBondContact O-N 3.26Å |
| 82 | M | 88.9 | Confident | 93.3 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.4 | 173.8 | -65.5 | -61.2 | -63.1 | 0 | 0 | 113.3 | V78 M80 I84 P98 | V78-M82 HydrophobicContact CG1-CG 4.34Å; V78-M82 WeakPolarHBondContact O-CB 3.49Å; V78-M82 VanDerWaalsContact O-CG 3.3Å; V78-M82 WeakPolarHBondContact O-CG 3.34Å; V78-M82 PolarHBondContact O-N 2.95Å; M80-M82 PolarHBondContact O-N 3.01Å; M82-I84 HydrophobicContact CB-CD1 3.77Å; M82-I84 HydrophobicContact CB-CG1 3.85Å; M82-I84 PolarHBondContact O-N 3.27Å; M82-P98 WeakPolarHBondContact O-CG 3.46Å |
| 83 | N | 89.3 | Confident | 93.2 | Very high | 109 Ų | 109 | 72.9 Ų | 72.9 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.3 | -176.2 | -160.9 | 48.1 | 0 | 0 | 0 | 113.9 | L79 M80 A81 I95 | L79-N83 PolarHBondContact O-N 3.46Å; M80-N83 WeakPolarHBondContact O-CA 3.3Å; M80-N83 PolarHBondContact O-N 3.06Å; A81-N83 PolarHBondContact O-N 3.26Å; N83-I95 WeakPolarHBondContact OD1-CD1 3.27Å |
| 84 | I | 90.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 70.7 Ų | 70.7 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -85.6 | -30.7 | 178.2 | -60.9 | 175.3 | 0 | 0 | 0 | 111.3 | L79 M82 W94 I95 G96 L97 P98 | L79-I84 HydrophobicContact CB-CB 4.43Å; L79-I84 HydrophobicContact CD2-CB 4.26Å; L79-I84 HydrophobicContact CD2-CD1 3.83Å; L79-I84 HydrophobicContact CD2-CG2 4.17Å; L79-I84 WeakPolarHBondContact O-CB 3.49Å; L79-I84 PolarHBondContact O-N 3.49Å; M82-I84 HydrophobicContact CB-CD1 3.77Å; M82-I84 HydrophobicContact CB-CG1 3.85Å; M82-I84 PolarHBondContact O-N 3.27Å; I84-W94 HydrophobicContact CG2-CE3 4.33Å; I84-W94 HydrophobicContact CG2-CH2 3.74Å; I84-W94 HydrophobicContact CG2-CZ3 3.62Å; I84-I95 WeakPolarHBondContact O-CB 2.99Å; I84-I95 PolarHBondContact O-N 3.24Å; I84-G96 VanDerWaalsContact CA-O 3.23Å; I84-G96 WeakPolarHBondContact CA-O 3.32Å; I84-G96 PolarHBondContact O-N 2.75Å; I84-G96 VanDerWaalsContact O-N 3.09Å; I84-L97 HydrophobicContact CD1-CD2 3.98Å; I84-L97 HydrophobicContact CG1-CD2 4.5Å; I84-L97 HydrophobicContact CG2-CD2 4.04Å; I84-P98 HydrophobicContact CD1-CG 4.22Å; I84-P98 HydrophobicContact CG1-CG 3.83Å |
| 85 | I | 93.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.1 | 178.4 | 67.5 | 177.1 | 0 | 0 | 0 | 109.1 | V30 L76 L79 M80 I92 K93 W94 I95 | V30-I85 HydrophobicContact CB-CG2 4.47Å; V30-I85 HydrophobicContact CG1-CG2 3.77Å; L76-I85 HydrophobicContact CB-CD1 4.31Å; L76-I85 HydrophobicContact CD2-CD1 3.47Å; L76-I85 VanDerWaalsContact CD2-CD1 3.47Å; L79-I85 HydrophobicContact CB-CD1 3.69Å; L79-I85 HydrophobicContact CB-CG1 3.82Å; L79-I85 HydrophobicContact CB-CG2 4.4Å; L79-I85 HydrophobicContact CD1-CD1 4.42Å; M80-I85 HydrophobicContact CB-CG1 4.16Å; I85-I92 HydrophobicContact CB-CG2 4.32Å; I85-I92 HydrophobicContact CD1-CG2 3.96Å; I85-K93 CarbonylContact C-O 3.58Å; I85-K93 WeakPolarHBondContact CA-O 3.5Å; I85-K93 WeakPolarHBondContact CB-O 3.4Å; I85-W94 HydrophobicContact CG2-CE3 3.93Å; I85-W94 HydrophobicContact CG2-CZ3 4.32Å; I85-I95 VanDerWaalsContact C-CD1 3.4Å |
| 86 | S | 93.8 | Very high | 92 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 151.2 | 166.6 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | I92 K93 | S86-I92 CarbonylContact O-C 3.55Å; S86-I92 VanDerWaalsContact O-CA 3.28Å; S86-I92 WeakPolarHBondContact O-CA 3.48Å; S86-K93 PolarHBondContact N-O 3.37Å; S86-K93 PolarHBondContact O-N 2.74Å; S86-K93 WeakPolarHBondContact OG-CB 3.21Å |
| 87 | K | 93.4 | Very high | 91.3 | Very high | 103 Ų | 103 | 78 Ų | 78 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 115.9 | 173.4 | -177.4 | -171.2 | 175.9 | -161.7 | 0 | 110 | M80 K89 E91 I92 | M80-K87 HydrophobicContact CE-CB 3.57Å; M80-K87 HydrophobicContact CE-CD 3.62Å; M80-K87 HydrophobicContact CE-CG 4.25Å; M80-K87 HydrophobicContact SD-CB 4.05Å; K87-K89 VanDerWaalsContact CE-O 3.28Å; K87-K89 WeakPolarHBondContact CE-O 3.45Å; K87-E91 CarbonylContact C-O 3.54Å; K87-E91 WeakPolarHBondContact CA-O 3.42Å; K87-I92 HydrophobicContact CB-CG1 4.48Å; K87-I92 HydrophobicContact CG-CG1 4.13Å |
| 88 | E | 91.8 | Very high | 89.9 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 59% | 0.589 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 108 | 173.8 | -71.4 | 177.9 | -163.7 | 0 | 0 | 109 | K90 E91 | E88-K90 PolarHBondContact O-N 3.16Å; E88-E91 PolarHBondContact N-O 2.9Å; E88-E91 PolarHBondContact O-N 2.83Å |
| 89 | K | 90.1 | Very high | 88.3 | Confident | 201 Ų | 201 | 77.2 Ų | 77.2 | 87% | 0.874 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -104.2 | -174.2 | -59.9 | 175.6 | 179.2 | 173.7 | 0 | 111.7 | K87 | K87-K89 VanDerWaalsContact CE-O 3.28Å; K87-K89 WeakPolarHBondContact CE-O 3.45Å |
| 90 | K | 92.3 | Very high | 86.7 | Confident | 176 Ų | 176 | 81.2 Ų | 81.2 | 77% | 0.765 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -12.7 | -179.5 | -67.3 | -175.6 | 178.5 | 179.1 | 0 | 113.2 | S37 E88 | S37-K90 WeakPolarHBondContact CA-O 3.17Å; S37-K90 VanDerWaalsContact CB-O 3.29Å; S37-K90 WeakPolarHBondContact CB-O 3.23Å; E88-K90 PolarHBondContact O-N 3.16Å |
| 91 | E | 95.1 | Very high | 85.5 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.9 | -176.3 | -169 | 166.7 | 104.3 | 0 | 0 | 110.2 | T35 K87 E88 K93 | T35-E91 HydrophobicContact CG2-CG 3.51Å; K87-E91 CarbonylContact C-O 3.54Å; K87-E91 WeakPolarHBondContact CA-O 3.42Å; E88-E91 PolarHBondContact N-O 2.9Å; E88-E91 PolarHBondContact O-N 2.83Å; E91-K93 HydrophobicContact CG-CG 4.46Å; E91-K93 WeakPolarHBondContact OE1-CE 3.36Å; E91-K93 IonicContact OE1-NZ 2.64Å; E91-K93 PolarHBondContact OE1-NZ 2.94Å |
| 92 | I | 96.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.7 | 178.4 | -59.8 | 170.7 | 0 | 0 | 0 | 107.2 | V30 T35 T36 L76 I85 S86 K87 | V30-I92 HydrophobicContact CG1-CG2 4Å; V30-I92 HydrophobicContact CG2-CG2 4.39Å; T35-I92 CarbonylContact C-O 3.53Å; T35-I92 WeakPolarHBondContact CA-O 3.12Å; T36-I92 HydrophobicContact CG2-CB 4.21Å; T36-I92 HydrophobicContact CG2-CG2 4.47Å; T36-I92 PolarHBondContact N-O 3.33Å; T36-I92 PolarHBondContact O-N 3.37Å; L76-I92 HydrophobicContact CD1-CD1 3.77Å; L76-I92 HydrophobicContact CD2-CD1 4.1Å; L76-I92 HydrophobicContact CD2-CG2 4.44Å; I85-I92 HydrophobicContact CB-CG2 4.32Å; I85-I92 HydrophobicContact CD1-CG2 3.96Å; S86-I92 CarbonylContact O-C 3.55Å; S86-I92 VanDerWaalsContact O-CA 3.28Å; S86-I92 WeakPolarHBondContact O-CA 3.48Å; K87-I92 HydrophobicContact CB-CG1 4.48Å; K87-I92 HydrophobicContact CG-CG1 4.13Å |
| 93 | K | 94.1 | Very high | 83.9 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.9 | 178.2 | -60.9 | 177.8 | 177.6 | 155.3 | 0 | 111.2 | G34 T35 I85 S86 E91 | G34-K93 CarbonylContact O-C 3.58Å; G34-K93 WeakPolarHBondContact O-CA 3.17Å; T35-K93 HydrophobicContact CG2-CG 4.06Å; I85-K93 CarbonylContact C-O 3.58Å; I85-K93 WeakPolarHBondContact CA-O 3.5Å; I85-K93 WeakPolarHBondContact CB-O 3.4Å; S86-K93 PolarHBondContact N-O 3.37Å; S86-K93 PolarHBondContact O-N 2.74Å; S86-K93 WeakPolarHBondContact OG-CB 3.21Å; E91-K93 HydrophobicContact CG-CG 4.46Å; E91-K93 WeakPolarHBondContact OE1-CE 3.36Å; E91-K93 IonicContact OE1-NZ 2.64Å; E91-K93 PolarHBondContact OE1-NZ 2.94Å |
| 94 | W | 93.6 | Very high | 83.4 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 22% | 0.216 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.6 | 168.7 | -178.7 | -103.1 | 0 | 0 | 0 | 110 | V30 Q31 G34 I84 I85 L97 | V30-W94 HydrophobicContact CB-CE3 4.37Å; V30-W94 HydrophobicContact CG1-CB 4.21Å; V30-W94 HydrophobicContact CG1-CE3 4.15Å; Q31-W94 HydrophobicContact CB-CD2 3.77Å; Q31-W94 HydrophobicContact CB-CE3 3.77Å; Q31-W94 HydrophobicContact CB-CG 4.46Å; Q31-W94 HydrophobicContact CB-CH2 3.91Å; Q31-W94 HydrophobicContact CB-CZ2 3.91Å; Q31-W94 HydrophobicContact CB-CZ3 3.84Å; Q31-W94 HydrophobicContact CG-CD2 4.06Å; Q31-W94 HydrophobicContact CG-CE3 4.49Å; Q31-W94 HydrophobicContact CG-CH2 4.18Å; Q31-W94 HydrophobicContact CG-CZ2 3.71Å; G34-W94 PolarHBondContact O-N 2.92Å; I84-W94 HydrophobicContact CG2-CE3 4.33Å; I84-W94 HydrophobicContact CG2-CH2 3.74Å; I84-W94 HydrophobicContact CG2-CZ3 3.62Å; I85-W94 HydrophobicContact CG2-CE3 3.93Å; I85-W94 HydrophobicContact CG2-CZ3 4.32Å; W94-L97 HydrophobicContact CH2-CD2 4.23Å; W94-L97 HydrophobicContact CH2-CG 4.32Å; W94-L97 HydrophobicContact CZ2-CG 4.4Å |
| 95 | I | 88.5 | Confident | 83.1 | Confident | 83 Ų | 83 | 81.8 Ų | 81.8 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | trans | -93.3 | -47.2 | 173.1 | -57.7 | 173.6 | 0 | 0 | 0 | 109.2 | N83 I84 I85 | N83-I95 WeakPolarHBondContact OD1-CD1 3.27Å; I84-I95 WeakPolarHBondContact O-CB 2.99Å; I84-I95 PolarHBondContact O-N 3.24Å; I85-I95 VanDerWaalsContact C-CD1 3.4Å | ||
| 96 | G | 79.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 87.2 Ų | 87.2 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | trans | 134.4 | 156.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I84 | I84-G96 VanDerWaalsContact CA-O 3.23Å; I84-G96 WeakPolarHBondContact CA-O 3.32Å; I84-G96 PolarHBondContact O-N 2.75Å; I84-G96 VanDerWaalsContact O-N 3.09Å | ||
| 97 | L | 80.7 | Confident | 82.4 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -61.5 | 147.2 | 170.5 | -64.1 | 173.2 | 0 | 0 | 0 | 108.8 | I84 W94 T99 | I84-L97 HydrophobicContact CD1-CD2 3.98Å; I84-L97 HydrophobicContact CG1-CD2 4.5Å; I84-L97 HydrophobicContact CG2-CD2 4.04Å; W94-L97 HydrophobicContact CH2-CD2 4.23Å; W94-L97 HydrophobicContact CH2-CG 4.32Å; W94-L97 HydrophobicContact CZ2-CG 4.4Å; L97-T99 VanDerWaalsContact C-N 3.29Å; L97-T99 PolarHBondContact O-N 3.35Å; L97-T99 PolarHBondContact O-OG1 3.08Å |
| 98 | P | 66.4 | Low | 82.3 | Confident | 78 Ų | 78 | 90.4 Ų | 90.4 | 51% | 0.506 | 47% | 0.469 | S | S | . | . | trans | -64.9 | 96.3 | -178.1 | -12.2 | 31.1 | 0 | 0 | 0 | 106.5 | M82 I84 N100 | M82-P98 WeakPolarHBondContact O-CG 3.46Å; I84-P98 HydrophobicContact CD1-CG 4.22Å; I84-P98 HydrophobicContact CG1-CG 3.83Å; P98-N100 PolarHBondContact O-N 3.47Å | ||
| 99 | T | 60 | Low | 82.4 | Confident | 88 Ų | 88 | 88.9 Ų | 88.9 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | trans | -83.4 | 96.5 | -166.1 | 10.2 | 0 | 0 | 0 | 0 | 108.4 | L97 S101 A102 | L97-T99 VanDerWaalsContact C-N 3.29Å; L97-T99 PolarHBondContact O-N 3.35Å; L97-T99 PolarHBondContact O-OG1 3.08Å; T99-S101 VanDerWaalsContact CB-OG 3.29Å; T99-S101 WeakPolarHBondContact CB-OG 3.29Å; T99-S101 WeakPolarHBondContact CG2-OG 2.73Å; T99-S101 PolarHBondContact O-N 3.13Å; T99-S101 VanDerWaalsContact O-N 3.11Å; T99-A102 PolarHBondContact O-N 2.84Å | ||
| 100 | N | 59.7 | Low | 82.7 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -48.7 | -27 | 155.5 | -155.2 | 19.6 | 0 | 0 | 0 | 110.7 | P98 A102 Q103 E104 | P98-N100 PolarHBondContact O-N 3.47Å; N100-A102 PolarHBondContact O-N 3.39Å; N100-Q103 PolarHBondContact O-N 2.86Å; N100-E104 HydrophobicContact CB-CG 4.47Å; N100-E104 PolarHBondContact ND2-OE1 2.73Å; N100-E104 WeakPolarHBondContact O-CB 3.48Å; N100-E104 WeakPolarHBondContact O-CG 3.3Å; N100-E104 PolarHBondContact O-N 2.81Å |
| 101 | S | 66.8 | Low | 82.8 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | -175.8 | 69.3 | 0 | 0 | 0 | 0 | 115.6 | T99 C105 | T99-S101 VanDerWaalsContact CB-OG 3.29Å; T99-S101 WeakPolarHBondContact CB-OG 3.29Å; T99-S101 WeakPolarHBondContact CG2-OG 2.73Å; T99-S101 PolarHBondContact O-N 3.13Å; T99-S101 VanDerWaalsContact O-N 3.11Å; S101-C105 WeakPolarHBondContact O-CB 3.49Å; S101-C105 PolarHBondContact O-N 3.03Å |
| 102 | A | 72.9 | Confident | 83 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 49% | 0.488 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.3 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | T99 N100 C105 Q106 | T99-A102 PolarHBondContact O-N 2.84Å; N100-A102 PolarHBondContact O-N 3.39Å; A102-C105 PolarHBondContact O-N 3.46Å; A102-Q106 WeakPolarHBondContact O-CG 3.28Å; A102-Q106 PolarHBondContact O-N 3.11Å; A102-Q106 VanDerWaalsContact O-N 3.08Å |
| 103 | Q | 74.7 | Confident | 83 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68 | -40 | 174.2 | -171.2 | 62.5 | 49 | 0 | 0 | 111.6 | N100 Q106 N107 | N100-Q103 PolarHBondContact O-N 2.86Å; Q103-Q106 PolarHBondContact O-N 3.33Å; Q103-N107 PolarHBondContact NE2-OD1 2.78Å; Q103-N107 WeakPolarHBondContact O-CB 3.39Å; Q103-N107 PolarHBondContact O-N 3.39Å; Q103-N107 PolarHBondContact O-ND2 3.16Å |
| 104 | E | 77.9 | Confident | 83.2 | Confident | 89 Ų | 89 | 87.7 Ų | 87.7 | 42% | 0.416 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 172.1 | -78.8 | 171.1 | 175.9 | 0 | 0 | 111.2 | N100 Q106 N107 L108 | N100-E104 HydrophobicContact CB-CG 4.47Å; N100-E104 PolarHBondContact ND2-OE1 2.73Å; N100-E104 WeakPolarHBondContact O-CB 3.48Å; N100-E104 WeakPolarHBondContact O-CG 3.3Å; N100-E104 PolarHBondContact O-N 2.81Å; E104-Q106 PolarHBondContact O-N 2.64Å; E104-N107 PolarHBondContact O-N 2.9Å; E104-L108 WeakPolarHBondContact O-CB 3.23Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.38Å; E104-L108 PolarHBondContact O-N 2.98Å |
| 105 | C | 84.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 55% | 0.554 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.3 | -44.9 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | S101 A102 L108 E109 | S101-C105 WeakPolarHBondContact O-CB 3.49Å; S101-C105 PolarHBondContact O-N 3.03Å; A102-C105 PolarHBondContact O-N 3.46Å; C105-L108 PolarHBondContact O-N 3.2Å; C105-E109 PolarHBondContact O-N 2.95Å |
| 106 | Q | 84.3 | Confident | 83.9 | Confident | 115 Ų | 115 | 91.5 Ų | 91.5 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.4 | -71.7 | 179.2 | -10.8 | 0 | 0 | 112.2 | A102 Q103 E104 L108 E109 I110 | A102-Q106 WeakPolarHBondContact O-CG 3.28Å; A102-Q106 PolarHBondContact O-N 3.11Å; A102-Q106 VanDerWaalsContact O-N 3.08Å; Q103-Q106 PolarHBondContact O-N 3.33Å; E104-Q106 PolarHBondContact O-N 2.64Å; Q106-L108 VanDerWaalsContact C-N 3.33Å; Q106-L108 PolarHBondContact O-N 3.37Å; Q106-E109 PolarHBondContact O-N 3.32Å; Q106-I110 WeakPolarHBondContact O-CG1 3.23Å; Q106-I110 PolarHBondContact O-N 3.22Å |
| 107 | N | 86.9 | Confident | 84.8 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.7 | -69.4 | -17.2 | 0 | 0 | 0 | 111.8 | Q103 E104 I110 E111 | Q103-N107 PolarHBondContact NE2-OD1 2.78Å; Q103-N107 WeakPolarHBondContact O-CB 3.39Å; Q103-N107 PolarHBondContact O-N 3.39Å; Q103-N107 PolarHBondContact O-ND2 3.16Å; E104-N107 PolarHBondContact O-N 2.9Å; N107-I110 PolarHBondContact O-N 2.92Å; N107-E111 WeakPolarHBondContact O-CB 3.33Å; N107-E111 PolarHBondContact O-N 2.86Å |
| 108 | L | 92.1 | Very high | 85.7 | Confident | 123 Ų | 123 | 95.9 Ų | 95.9 | 64% | 0.644 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.7 | -38 | 175.9 | -74.3 | 170.4 | 0 | 0 | 0 | 111.8 | E104 C105 Q106 E111 K112 | E104-L108 WeakPolarHBondContact O-CB 3.23Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.38Å; E104-L108 PolarHBondContact O-N 2.98Å; C105-L108 PolarHBondContact O-N 3.2Å; Q106-L108 VanDerWaalsContact C-N 3.33Å; Q106-L108 PolarHBondContact O-N 3.37Å; L108-E111 PolarHBondContact O-N 2.88Å; L108-K112 VanDerWaalsContact O-CB 3.27Å; L108-K112 WeakPolarHBondContact O-CB 3.45Å; L108-K112 PolarHBondContact O-N 2.9Å |
| 109 | E | 94.1 | Very high | 87.2 | Confident | 93 Ų | 93 | 96.8 Ų | 96.8 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 176.8 | -164.1 | 61 | -149.1 | 0 | 0 | 111.5 | C105 Q106 K112 Q113 | C105-E109 PolarHBondContact O-N 2.95Å; Q106-E109 PolarHBondContact O-N 3.32Å; E109-K112 PolarHBondContact O-N 2.93Å; E109-K112 IonicContact OE1-NZ 3Å; E109-K112 PolarHBondContact OE1-NZ 3.33Å; E109-K112 IonicContact OE2-NZ 3.18Å; E109-K112 PolarHBondContact OE2-NZ 2.9Å; E109-Q113 PolarHBondContact O-N 3.43Å |
| 110 | I | 95.3 | Very high | 89 | Confident | 89 Ų | 89 | 99 Ų | 99 | 46% | 0.456 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 173.1 | -67.3 | 167 | 0 | 0 | 0 | 110.8 | Q106 N107 Q113 R114 | Q106-I110 WeakPolarHBondContact O-CG1 3.23Å; Q106-I110 PolarHBondContact O-N 3.22Å; N107-I110 PolarHBondContact O-N 2.92Å; I110-Q113 PolarHBondContact O-N 3.09Å; I110-R114 WeakPolarHBondContact O-CG 3.28Å; I110-R114 PolarHBondContact O-N 2.94Å |
| 111 | E | 96.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 99 Ų | 99 | 27% | 0.271 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 179.3 | 178.7 | 59.4 | -166.4 | 0 | 0 | 112 | N107 L108 Q113 R114 R115 | N107-E111 WeakPolarHBondContact O-CB 3.33Å; N107-E111 PolarHBondContact O-N 2.86Å; L108-E111 PolarHBondContact O-N 2.88Å; E111-Q113 VanDerWaalsContact C-N 3.34Å; E111-Q113 PolarHBondContact O-N 2.94Å; E111-R114 PolarHBondContact O-N 3.46Å; E111-R115 VanDerWaalsContact O-CG 3.32Å; E111-R115 WeakPolarHBondContact O-CG 3.37Å; E111-R115 PolarHBondContact O-N 3.42Å; E111-R115 IonicContact OE1-CZ 3.94Å; E111-R115 IonicContact OE1-NE 2.74Å; E111-R115 PolarHBondContact OE1-NE 3.47Å; E111-R115 IonicContact OE1-NH2 3.33Å; E111-R115 PolarHBondContact OE1-NH2 3.05Å; E111-R115 VanDerWaalsContact OE1-NH2 3.13Å |
| 112 | K | 97.6 | Very high | 92.4 | Very high | 103 Ų | 103 | 102.2 Ų | 102.2 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 171.6 | 172.6 | -175.2 | 160.1 | -149.3 | 0 | 110.8 | L108 E109 R114 R115 I116 | L108-K112 VanDerWaalsContact O-CB 3.27Å; L108-K112 WeakPolarHBondContact O-CB 3.45Å; L108-K112 PolarHBondContact O-N 2.9Å; E109-K112 PolarHBondContact O-N 2.93Å; E109-K112 IonicContact OE1-NZ 3Å; E109-K112 PolarHBondContact OE1-NZ 3.33Å; E109-K112 IonicContact OE2-NZ 3.18Å; E109-K112 PolarHBondContact OE2-NZ 2.9Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 3.46Å; K112-R115 PolarHBondContact O-N 2.76Å; K112-R115 VanDerWaalsContact O-N 3.16Å; K112-I116 HydrophobicContact CG-CD1 3.92Å; K112-I116 WeakPolarHBondContact O-CG1 3.29Å; K112-I116 PolarHBondContact O-N 2.9Å |
| 113 | Q | 97.9 | Very high | 93.6 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 179 | -168.5 | 59.7 | 27.4 | 0 | 0 | 111.9 | E109 I110 E111 R115 I116 E117 | E109-Q113 PolarHBondContact O-N 3.43Å; I110-Q113 PolarHBondContact O-N 3.09Å; E111-Q113 VanDerWaalsContact C-N 3.34Å; E111-Q113 PolarHBondContact O-N 2.94Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.83Å; Q113-I116 PolarHBondContact O-N 2.81Å; Q113-E117 PolarHBondContact O-N 2.82Å |
| 114 | R | 98.2 | Very high | 94.7 | Very high | 154 Ų | 154 | 105.3 Ų | 105.3 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 173.7 | -71.8 | 175.6 | -177.9 | 168.5 | 0 | 112.4 | I110 E111 K112 E117 R118 | I110-R114 WeakPolarHBondContact O-CG 3.28Å; I110-R114 PolarHBondContact O-N 2.94Å; E111-R114 PolarHBondContact O-N 3.46Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 3.46Å; R114-E117 PolarHBondContact O-N 3.31Å; R114-R118 WeakPolarHBondContact O-CB 3.44Å; R114-R118 PolarHBondContact O-N 3.41Å |
| 115 | R | 98.2 | Very high | 95.7 | Very high | 142 Ų | 142 | 106.5 Ų | 106.5 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 177.6 | -73.4 | 174.7 | -176 | -127.9 | 0.1 | 111.8 | E111 K112 Q113 R118 I119 | E111-R115 VanDerWaalsContact O-CG 3.32Å; E111-R115 WeakPolarHBondContact O-CG 3.37Å; E111-R115 PolarHBondContact O-N 3.42Å; E111-R115 IonicContact OE1-CZ 3.94Å; E111-R115 IonicContact OE1-NE 2.74Å; E111-R115 PolarHBondContact OE1-NE 3.47Å; E111-R115 IonicContact OE1-NH2 3.33Å; E111-R115 PolarHBondContact OE1-NH2 3.05Å; E111-R115 VanDerWaalsContact OE1-NH2 3.13Å; K112-R115 PolarHBondContact O-N 2.76Å; K112-R115 VanDerWaalsContact O-N 3.16Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.83Å; R115-R118 PolarHBondContact O-N 3.43Å; R115-I119 WeakPolarHBondContact O-CB 3.38Å; R115-I119 WeakPolarHBondContact O-CD1 3.37Å; R115-I119 WeakPolarHBondContact O-CG1 3.17Å; R115-I119 PolarHBondContact O-N 3.04Å |
| 116 | I | 98.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 107.4 Ų | 107.4 | 40% | 0.395 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.9 | -71.5 | 167.5 | 0 | 0 | 0 | 110.3 | K112 Q113 R118 I119 K120 | K112-I116 HydrophobicContact CG-CD1 3.92Å; K112-I116 WeakPolarHBondContact O-CG1 3.29Å; K112-I116 PolarHBondContact O-N 2.9Å; Q113-I116 PolarHBondContact O-N 2.81Å; I116-R118 PolarHBondContact O-N 2.92Å; I116-I119 PolarHBondContact O-N 3.26Å; I116-K120 PolarHBondContact O-N 3.49Å |
| 117 | E | 98.4 | Very high | 96.9 | Very high | 75 Ų | 75 | 108.1 Ų | 108.1 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 179.4 | -171.2 | 55 | -143.7 | 0 | 0 | 111.7 | Q113 R114 I119 K120 Q121 | Q113-E117 PolarHBondContact O-N 2.82Å; R114-E117 PolarHBondContact O-N 3.31Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 3.35Å; E117-K120 WeakPolarHBondContact O-CB 3.4Å; E117-K120 PolarHBondContact O-N 2.96Å; E117-Q121 WeakPolarHBondContact O-CG 3.27Å; E117-Q121 PolarHBondContact O-N 2.62Å |
| 118 | R | 98.4 | Very high | 97.3 | Very high | 129 Ų | 129 | 109.6 Ų | 109.6 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.8 | -171.8 | -176.6 | -64.5 | 147.7 | 1.2 | 112.3 | R114 R115 I116 K120 K122 | R114-R118 WeakPolarHBondContact O-CB 3.44Å; R114-R118 PolarHBondContact O-N 3.41Å; R115-R118 PolarHBondContact O-N 3.43Å; I116-R118 PolarHBondContact O-N 2.92Å; R118-K120 VanDerWaalsContact C-N 3.34Å; R118-K122 HydrophobicContact CG-CD 4.49Å; R118-K122 WeakPolarHBondContact O-CB 3.45Å; R118-K122 WeakPolarHBondContact O-CG 3.27Å; R118-K122 PolarHBondContact O-N 2.94Å |
| 119 | I | 98.6 | Very high | 97.5 | Very high | 96 Ų | 96 | 108.6 Ų | 108.6 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.9 | -73.1 | 164.4 | 0 | 0 | 0 | 109.8 | R115 I116 E117 K122 R123 | R115-I119 WeakPolarHBondContact O-CB 3.38Å; R115-I119 WeakPolarHBondContact O-CD1 3.37Å; R115-I119 WeakPolarHBondContact O-CG1 3.17Å; R115-I119 PolarHBondContact O-N 3.04Å; I116-I119 PolarHBondContact O-N 3.26Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 3.35Å; I119-K122 PolarHBondContact O-N 3.33Å; I119-R123 HydrophobicContact CG2-CG 4.32Å; I119-R123 WeakPolarHBondContact O-CB 3.45Å; I119-R123 VanDerWaalsContact O-CG 3.26Å; I119-R123 WeakPolarHBondContact O-CG 3.46Å; I119-R123 PolarHBondContact O-N 3.29Å |
| 120 | K | 98.5 | Very high | 97.6 | Very high | 136 Ų | 136 | 108.5 Ų | 108.5 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.6 | -49 | 177.2 | -175.5 | -174.4 | 173.7 | -167.8 | 0 | 111.5 | I116 E117 R118 K122 R123 A124 | I116-K120 PolarHBondContact O-N 3.49Å; E117-K120 WeakPolarHBondContact O-CB 3.4Å; E117-K120 PolarHBondContact O-N 2.96Å; R118-K120 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.4Å; K120-R123 PolarHBondContact O-N 3.36Å; K120-A124 PolarHBondContact O-N 3.34Å |
| 121 | Q | 98.4 | Very high | 97.5 | Very high | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 176.7 | -69.9 | 173.6 | -1.8 | 0 | 0 | 112.1 | E117 R123 A124 Q125 | E117-Q121 WeakPolarHBondContact O-CG 3.27Å; E117-Q121 PolarHBondContact O-N 2.62Å; Q121-R123 VanDerWaalsContact C-N 3.29Å; Q121-R123 PolarHBondContact O-N 3.49Å; Q121-A124 PolarHBondContact O-N 3.49Å; Q121-Q125 WeakPolarHBondContact O-CG 3.45Å; Q121-Q125 PolarHBondContact O-N 2.69Å |
| 122 | K | 98.5 | Very high | 97.4 | Very high | 129 Ų | 129 | 109.7 Ų | 109.7 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 177.5 | -75.4 | -175.7 | 175.1 | -165.6 | 0 | 113 | R118 I119 K120 L126 | R118-K122 HydrophobicContact CG-CD 4.49Å; R118-K122 WeakPolarHBondContact O-CB 3.45Å; R118-K122 WeakPolarHBondContact O-CG 3.27Å; R118-K122 PolarHBondContact O-N 2.94Å; I119-K122 PolarHBondContact O-N 3.33Å; K120-K122 PolarHBondContact O-N 3.4Å; K122-L126 VanDerWaalsContact O-CB 3.3Å; K122-L126 WeakPolarHBondContact O-CB 3.45Å; K122-L126 PolarHBondContact O-N 3.09Å |
| 123 | R | 98.4 | Very high | 97.3 | Very high | 175 Ų | 175 | 109.7 Ų | 109.7 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -41.2 | 175.5 | -73.3 | 178 | 91.2 | 155.6 | 8 | 111.4 | I119 K120 Q121 L126 Q127 | I119-R123 HydrophobicContact CG2-CG 4.32Å; I119-R123 WeakPolarHBondContact O-CB 3.45Å; I119-R123 VanDerWaalsContact O-CG 3.26Å; I119-R123 WeakPolarHBondContact O-CG 3.46Å; I119-R123 PolarHBondContact O-N 3.29Å; K120-R123 PolarHBondContact O-N 3.36Å; Q121-R123 VanDerWaalsContact C-N 3.29Å; Q121-R123 PolarHBondContact O-N 3.49Å; R123-L126 PolarHBondContact O-N 3Å; R123-Q127 WeakPolarHBondContact O-CG 3.44Å; R123-Q127 PolarHBondContact O-N 2.64Å |
| 124 | A | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 108.7 Ų | 108.7 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K120 Q121 L126 Q127 E128 | K120-A124 PolarHBondContact O-N 3.34Å; Q121-A124 PolarHBondContact O-N 3.49Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 3.43Å; A124-Q127 WeakPolarHBondContact O-CB 3.31Å; A124-Q127 PolarHBondContact O-N 2.98Å; A124-Q127 VanDerWaalsContact O-N 3.11Å; A124-E128 PolarHBondContact O-N 3.23Å |
| 125 | Q | 97.9 | Very high | 97.1 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 175.1 | -71.6 | 175 | -17.9 | 0 | 0 | 112.3 | Q121 Q127 E128 L129 | Q121-Q125 WeakPolarHBondContact O-CG 3.45Å; Q121-Q125 PolarHBondContact O-N 2.69Å; Q125-Q127 VanDerWaalsContact C-N 3.33Å; Q125-Q127 PolarHBondContact O-N 2.83Å; Q125-E128 PolarHBondContact O-N 3.44Å; Q125-L129 WeakPolarHBondContact O-CG 3.33Å; Q125-L129 PolarHBondContact O-N 3.02Å |
| 126 | L | 98 | Very high | 97 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 177 | 180 | 62.7 | 0 | 0 | 0 | 112.2 | K122 R123 A124 L130 | K122-L126 VanDerWaalsContact O-CB 3.3Å; K122-L126 WeakPolarHBondContact O-CB 3.45Å; K122-L126 PolarHBondContact O-N 3.09Å; R123-L126 PolarHBondContact O-N 3Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 3.43Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 PolarHBondContact O-N 3.05Å |
| 127 | Q | 96.7 | Very high | 96.9 | Very high | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 175.5 | -75 | 174.5 | -35.5 | 0 | 0 | 111.2 | R123 A124 Q125 L130 L131 | R123-Q127 WeakPolarHBondContact O-CG 3.44Å; R123-Q127 PolarHBondContact O-N 2.64Å; A124-Q127 WeakPolarHBondContact O-CB 3.31Å; A124-Q127 PolarHBondContact O-N 2.98Å; A124-Q127 VanDerWaalsContact O-N 3.11Å; Q125-Q127 VanDerWaalsContact C-N 3.33Å; Q125-Q127 PolarHBondContact O-N 2.83Å; Q127-L130 WeakPolarHBondContact O-CB 3.37Å; Q127-L130 PolarHBondContact O-N 3.42Å; Q127-L131 WeakPolarHBondContact O-CG 3.14Å; Q127-L131 PolarHBondContact O-N 3.33Å |
| 128 | E | 94.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 103.8 Ų | 103.8 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 176 | -169.4 | -179.2 | 173.4 | 0 | 0 | 111.9 | A124 Q125 L130 L131 Q132 | A124-E128 PolarHBondContact O-N 3.23Å; Q125-E128 PolarHBondContact O-N 3.44Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.46Å; E128-L131 PolarHBondContact O-N 2.99Å; E128-Q132 WeakPolarHBondContact O-CG 3.44Å; E128-Q132 PolarHBondContact O-N 2.83Å |
| 129 | L | 96.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 99 Ų | 99 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 175 | -71 | 172.6 | 0 | 0 | 0 | 112.7 | Q125 Q133 | Q125-L129 WeakPolarHBondContact O-CG 3.33Å; Q125-L129 PolarHBondContact O-N 3.02Å; L129-Q133 VanDerWaalsContact O-CB 3.31Å; L129-Q133 WeakPolarHBondContact O-CB 3.38Å; L129-Q133 PolarHBondContact O-N 3.37Å |
| 130 | L | 96.1 | Very high | 96.6 | Very high | 91 Ų | 91 | 97.2 Ų | 97.2 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 175.6 | -98 | 162 | 0 | 0 | 0 | 111.8 | L126 Q127 E128 Q133 I134 | L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 PolarHBondContact O-N 3.05Å; Q127-L130 WeakPolarHBondContact O-CB 3.37Å; Q127-L130 PolarHBondContact O-N 3.42Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.46Å; L130-Q133 PolarHBondContact O-N 3.31Å; L130-I134 VanDerWaalsContact O-CG1 3.26Å; L130-I134 WeakPolarHBondContact O-CG1 3.48Å; L130-I134 PolarHBondContact O-N 2.88Å |
| 131 | L | 94.3 | Very high | 96.5 | Very high | 121 Ų | 121 | 95.9 Ų | 95.9 | 63% | 0.634 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.1 | -48.3 | 176 | -70.4 | 171.2 | 0 | 0 | 0 | 110.5 | Q127 E128 Q133 I134 A135 | Q127-L131 WeakPolarHBondContact O-CG 3.14Å; Q127-L131 PolarHBondContact O-N 3.33Å; E128-L131 PolarHBondContact O-N 2.99Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.1Å; L131-I134 PolarHBondContact O-N 2.69Å; L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 2.79Å |
| 132 | Q | 94.3 | Very high | 96.4 | Very high | 52 Ų | 52 | 97.6 Ų | 97.6 | 24% | 0.243 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -53.8 | -48.4 | 173.8 | -74.3 | 170.2 | 12.6 | 0 | 0 | 112.1 | E128 I134 A135 F136 I200 | E128-Q132 WeakPolarHBondContact O-CG 3.44Å; E128-Q132 PolarHBondContact O-N 2.83Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 3.31Å; Q132-A135 PolarHBondContact O-N 3.49Å; Q132-F136 WeakPolarHBondContact O-CB 3.01Å; Q132-F136 PolarHBondContact O-N 3.23Å; Q132-I200 HydrophobicContact CG-CB 4.5Å; Q132-I200 HydrophobicContact CG-CD1 3.97Å; Q132-I200 HydrophobicContact CG-CG1 4.42Å; Q132-I200 HydrophobicContact CG-CG2 3.41Å; Q132-I200 VanDerWaalsContact CG-CG2 3.41Å; Q132-I200 VanDerWaalsContact NE2-CD1 3.26Å |
| 133 | Q | 95.4 | Very high | 96.3 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 179.9 | -176.6 | 70.7 | -5.7 | 0 | 0 | 112.3 | L129 L130 L131 K137 | L129-Q133 VanDerWaalsContact O-CB 3.31Å; L129-Q133 WeakPolarHBondContact O-CB 3.38Å; L129-Q133 PolarHBondContact O-N 3.37Å; L130-Q133 PolarHBondContact O-N 3.31Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.1Å; Q133-K137 WeakPolarHBondContact O-CB 2.93Å; Q133-K137 VanDerWaalsContact O-CG 3.32Å; Q133-K137 WeakPolarHBondContact O-CG 3.28Å; Q133-K137 PolarHBondContact O-N 3.18Å; Q133-K137 VanDerWaalsContact O-N 3.15Å |
| 134 | I | 96.1 | Very high | 96.1 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.7 | -49.1 | 177.4 | -68.6 | 165.1 | 0 | 0 | 0 | 110 | L130 L131 Q132 F136 K137 N138 | L130-I134 VanDerWaalsContact O-CG1 3.26Å; L130-I134 WeakPolarHBondContact O-CG1 3.48Å; L130-I134 PolarHBondContact O-N 2.88Å; L131-I134 PolarHBondContact O-N 2.69Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 3.31Å; I134-F136 PolarHBondContact O-N 3.47Å; I134-K137 PolarHBondContact O-N 3.04Å; I134-N138 WeakPolarHBondContact O-CB 3.18Å; I134-N138 PolarHBondContact O-N 3.04Å; I134-N138 PolarHBondContact O-ND2 3Å |
| 135 | A | 95.9 | Very high | 96 | Very high | 18 Ų | 18 | 95.2 Ų | 95.2 | 15% | 0.149 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L131 Q132 K137 N138 L139 L203 | L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 2.79Å; Q132-A135 PolarHBondContact O-N 3.49Å; A135-K137 PolarHBondContact O-N 3.31Å; A135-N138 PolarHBondContact O-N 3.47Å; A135-L139 WeakPolarHBondContact O-CB 3.36Å; A135-L139 PolarHBondContact O-N 2.97Å; A135-L203 HydrophobicContact CB-CB 4Å |
| 136 | F | 96.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 93.2 Ų | 93.2 | 46% | 0.461 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 178.5 | -168.1 | -98.9 | 0 | 0 | 0 | 112.5 | Q132 I134 N138 L139 V140 L162 | Q132-F136 WeakPolarHBondContact O-CB 3.01Å; Q132-F136 PolarHBondContact O-N 3.23Å; I134-F136 PolarHBondContact O-N 3.47Å; F136-N138 VanDerWaalsContact C-N 3.35Å; F136-N138 PolarHBondContact O-N 2.91Å; F136-L139 PolarHBondContact O-N 3.47Å; F136-V140 HydrophobicContact CD1-CG2 4.15Å; F136-V140 HydrophobicContact CE1-CG2 3.85Å; F136-V140 HydrophobicContact CZ-CG2 4.14Å; F136-V140 WeakPolarHBondContact O-CG2 3.34Å; F136-V140 PolarHBondContact O-N 2.65Å; F136-L162 HydrophobicContact CD2-CD1 3.91Å; F136-L162 HydrophobicContact CE2-CD1 3.6Å |
| 137 | K | 96.6 | Very high | 95.7 | Very high | 127 Ų | 127 | 92.3 Ų | 92.3 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 176.3 | -80.4 | -175.4 | 172.1 | -173.1 | 0 | 112.1 | Q133 I134 A135 V140 Q141 | Q133-K137 WeakPolarHBondContact O-CB 2.93Å; Q133-K137 VanDerWaalsContact O-CG 3.32Å; Q133-K137 WeakPolarHBondContact O-CG 3.28Å; Q133-K137 PolarHBondContact O-N 3.18Å; Q133-K137 VanDerWaalsContact O-N 3.15Å; I134-K137 PolarHBondContact O-N 3.04Å; A135-K137 PolarHBondContact O-N 3.31Å; K137-V140 PolarHBondContact O-N 2.69Å; K137-Q141 VanDerWaalsContact O-CB 3.3Å; K137-Q141 WeakPolarHBondContact O-CB 3.29Å; K137-Q141 PolarHBondContact O-N 3.01Å |
| 138 | N | 96.8 | Very high | 95.5 | Very high | 94 Ų | 94 | 92.8 Ų | 92.8 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.1 | -73 | -11.5 | 0 | 0 | 0 | 111.3 | I134 A135 F136 Q141 R142 | I134-N138 WeakPolarHBondContact O-CB 3.18Å; I134-N138 PolarHBondContact O-N 3.04Å; I134-N138 PolarHBondContact O-ND2 3Å; A135-N138 PolarHBondContact O-N 3.47Å; F136-N138 VanDerWaalsContact C-N 3.35Å; F136-N138 PolarHBondContact O-N 2.91Å; N138-Q141 PolarHBondContact O-N 3.5Å; N138-R142 VanDerWaalsContact O-CB 3.3Å; N138-R142 WeakPolarHBondContact O-CB 3.25Å; N138-R142 PolarHBondContact O-N 3.04Å |
| 139 | L | 96.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 94.3 Ų | 94.3 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 175.9 | 179.2 | 71.3 | 0 | 0 | 0 | 111.4 | A135 F136 Q141 R142 N143 L162 L203 | A135-L139 WeakPolarHBondContact O-CB 3.36Å; A135-L139 PolarHBondContact O-N 2.97Å; F136-L139 PolarHBondContact O-N 3.47Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 3.27Å; L139-R142 VanDerWaalsContact CD1-NH2 3.27Å; L139-R142 PolarHBondContact O-N 3.17Å; L139-N143 WeakPolarHBondContact O-CB 3.46Å; L139-N143 PolarHBondContact O-N 3.11Å; L139-N143 PolarHBondContact O-OD1 3.2Å; L139-L162 HydrophobicContact CD2-CD1 3.78Å; L139-L203 HydrophobicContact CB-CD2 4.41Å; L139-L203 HydrophobicContact CD1-CD2 4.06Å; L139-L203 HydrophobicContact CD2-CD1 4.32Å; L139-L203 HydrophobicContact CD2-CD2 3.55Å; L139-L203 HydrophobicContact CG-CD2 4.2Å |
| 140 | V | 95.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 95.6 Ų | 95.6 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | -179.2 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | F136 K137 R144 | F136-V140 HydrophobicContact CD1-CG2 4.15Å; F136-V140 HydrophobicContact CE1-CG2 3.85Å; F136-V140 HydrophobicContact CZ-CG2 4.14Å; F136-V140 WeakPolarHBondContact O-CG2 3.34Å; F136-V140 PolarHBondContact O-N 2.65Å; K137-V140 PolarHBondContact O-N 2.69Å; V140-R144 WeakPolarHBondContact O-CB 3.32Å; V140-R144 PolarHBondContact O-N 3.12Å |
| 141 | Q | 96.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 177.6 | -178.8 | 174.9 | -14.3 | 0 | 0 | 111.8 | K137 N138 L139 R144 Q145 | K137-Q141 VanDerWaalsContact O-CB 3.3Å; K137-Q141 WeakPolarHBondContact O-CB 3.29Å; K137-Q141 PolarHBondContact O-N 3.01Å; N138-Q141 PolarHBondContact O-N 3.5Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 3.27Å; Q141-R144 PolarHBondContact O-N 3.27Å; Q141-Q145 WeakPolarHBondContact O-CG 3.24Å; Q141-Q145 PolarHBondContact O-N 3.43Å |
| 142 | R | 96.4 | Very high | 94.6 | Very high | 141 Ų | 141 | 95.6 Ų | 95.6 | 53% | 0.532 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 176.8 | -176.7 | -172.2 | 71.7 | 175.7 | 0.1 | 111.2 | N138 L139 R144 Q145 N146 | N138-R142 VanDerWaalsContact O-CB 3.3Å; N138-R142 WeakPolarHBondContact O-CB 3.25Å; N138-R142 PolarHBondContact O-N 3.04Å; L139-R142 VanDerWaalsContact CD1-NH2 3.27Å; L139-R142 PolarHBondContact O-N 3.17Å; R142-R144 PolarHBondContact O-N 3.03Å; R142-Q145 PolarHBondContact O-N 2.8Å; R142-N146 PolarHBondContact O-N 3.16Å |
| 143 | N | 95.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 98 Ų | 98 | 35% | 0.348 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | -179.7 | -68.5 | 0.3 | 0 | 0 | 0 | 110.8 | L139 Q145 N146 E147 | L139-N143 WeakPolarHBondContact O-CB 3.46Å; L139-N143 PolarHBondContact O-N 3.11Å; L139-N143 PolarHBondContact O-OD1 3.2Å; N143-Q145 VanDerWaalsContact C-N 3.32Å; N143-Q145 PolarHBondContact O-N 3.37Å; N143-N146 PolarHBondContact O-N 3Å; N143-E147 WeakPolarHBondContact O-CG 3.42Å; N143-E147 PolarHBondContact O-N 3.42Å |
| 144 | R | 95.1 | Very high | 94.1 | Very high | 153 Ų | 153 | 96.4 Ų | 96.4 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.7 | -41.3 | 175.2 | -176 | -177.7 | -68.8 | 169.1 | -1.3 | 112.5 | V140 Q141 R142 Q148 | V140-R144 WeakPolarHBondContact O-CB 3.32Å; V140-R144 PolarHBondContact O-N 3.12Å; Q141-R144 PolarHBondContact O-N 3.27Å; R142-R144 PolarHBondContact O-N 3.03Å; R144-Q148 VanDerWaalsContact O-CG 3.28Å; R144-Q148 WeakPolarHBondContact O-CG 3.22Å; R144-Q148 PolarHBondContact O-N 2.93Å; R144-Q148 VanDerWaalsContact O-N 3.11Å |
| 145 | Q | 95.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 95 Ų | 95 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.9 | -72.6 | 174.7 | -7 | 0 | 0 | 111.6 | Q141 R142 N143 E147 Q148 Q149 | Q141-Q145 WeakPolarHBondContact O-CG 3.24Å; Q141-Q145 PolarHBondContact O-N 3.43Å; R142-Q145 PolarHBondContact O-N 2.8Å; N143-Q145 VanDerWaalsContact C-N 3.32Å; N143-Q145 PolarHBondContact O-N 3.37Å; Q145-E147 VanDerWaalsContact C-N 3.34Å; Q145-E147 PolarHBondContact O-N 2.64Å; Q145-Q148 PolarHBondContact O-N 3.37Å; Q145-Q149 WeakPolarHBondContact O-CG 3.35Å; Q145-Q149 PolarHBondContact O-N 3.42Å |
| 146 | N | 94.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 100.7 Ų | 100.7 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 177.4 | -73.3 | -2.5 | 0 | 0 | 0 | 112.1 | R142 N143 Q148 Q149 N150 | R142-N146 PolarHBondContact O-N 3.16Å; N143-N146 PolarHBondContact O-N 3Å; N146-Q148 VanDerWaalsContact C-N 3.35Å; N146-Q149 PolarHBondContact O-N 3.39Å; N146-N150 VanDerWaalsContact O-CB 3.28Å; N146-N150 WeakPolarHBondContact O-CB 3.46Å; N146-N150 PolarHBondContact O-N 2.99Å; N146-N150 PolarHBondContact O-ND2 2.91Å |
| 147 | E | 94.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 102.6 Ų | 102.6 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.6 | -70.7 | 178.8 | -178.7 | 0 | 0 | 112.2 | N143 Q145 Q151 G152 | N143-E147 WeakPolarHBondContact O-CG 3.42Å; N143-E147 PolarHBondContact O-N 3.42Å; Q145-E147 VanDerWaalsContact C-N 3.34Å; Q145-E147 PolarHBondContact O-N 2.64Å; E147-Q151 PolarHBondContact O-N 3.22Å; E147-G152 WeakPolarHBondContact CA-O 3.37Å; E147-G152 PolarHBondContact O-N 2.69Å |
| 148 | Q | 93.3 | Very high | 93.3 | Very high | 140 Ų | 140 | 100.4 Ų | 100.4 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 174.6 | -72.5 | 171.2 | 10.9 | 0 | 0 | 112 | R144 Q145 N146 | R144-Q148 VanDerWaalsContact O-CG 3.28Å; R144-Q148 WeakPolarHBondContact O-CG 3.22Å; R144-Q148 PolarHBondContact O-N 2.93Å; R144-Q148 VanDerWaalsContact O-N 3.11Å; Q145-Q148 PolarHBondContact O-N 3.37Å; N146-Q148 VanDerWaalsContact C-N 3.35Å |
| 149 | Q | 93.4 | Very high | 93.2 | Very high | 145 Ų | 145 | 98.7 Ų | 98.7 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.1 | -42.1 | 178.7 | -71.8 | 178.9 | 13.7 | 0 | 0 | 112.3 | Q145 N146 Q151 | Q145-Q149 WeakPolarHBondContact O-CG 3.35Å; Q145-Q149 PolarHBondContact O-N 3.42Å; N146-Q149 PolarHBondContact O-N 3.39Å; Q149-Q151 VanDerWaalsContact C-N 3.28Å; Q149-Q151 PolarHBondContact O-N 2.93Å |
| 150 | N | 90.8 | Very high | 93.1 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 68% | 0.684 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.9 | -177.6 | -64.3 | -32.5 | 0 | 0 | 0 | 113.5 | N146 G152 | N146-N150 VanDerWaalsContact O-CB 3.28Å; N146-N150 WeakPolarHBondContact O-CB 3.46Å; N146-N150 PolarHBondContact O-N 2.99Å; N146-N150 PolarHBondContact O-ND2 2.91Å; N150-G152 VanDerWaalsContact C-N 3.28Å; N150-G152 PolarHBondContact O-N 3.34Å |
| 151 | Q | 88.3 | Confident | 93 | Very high | 188 Ų | 188 | 107.6 Ų | 107.6 | 88% | 0.879 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.2 | 37.2 | 177.5 | -56.4 | -178.8 | 3.5 | 0 | 0 | 114.2 | E147 Q149 | E147-Q151 PolarHBondContact O-N 3.22Å; Q149-Q151 VanDerWaalsContact C-N 3.28Å; Q149-Q151 PolarHBondContact O-N 2.93Å |
| 152 | G | 88.8 | Confident | 92.9 | Very high | 25 Ų | 25 | 105.1 Ų | 105.1 | 26% | 0.258 | 55% | 0.549 | S | S | . | . | S | Bend | trans | 155.2 | 171.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E147 N150 | E147-G152 WeakPolarHBondContact CA-O 3.37Å; E147-G152 PolarHBondContact O-N 2.69Å; N150-G152 VanDerWaalsContact C-N 3.28Å; N150-G152 PolarHBondContact O-N 3.34Å |
| 153 | P | 89.8 | Confident | 92.9 | Very high | 103 Ų | 103 | 104.2 Ų | 104.2 | 67% | 0.669 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 149.7 | 174.5 | 28.9 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 154 | P | 91.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 103.1 Ų | 103.1 | 44% | 0.442 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 163 | 172.5 | 28.6 | -36.3 | 0 | 0 | 0 | 111.9 | T159 | P154-T159 HydrophobicContact CB-CG2 3.82Å; P154-T159 HydrophobicContact CG-CG2 3.29Å |
| 155 | A | 91 | Very high | 93 | Very high | 57 Ų | 57 | 101.2 Ų | 101.2 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 144.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N157 S158 | A155-N157 WeakPolarHBondContact CB-OD1 3.43Å; A155-N157 PolarHBondContact O-N 2.68Å; A155-N157 VanDerWaalsContact O-N 3.13Å; A155-S158 PolarHBondContact O-N 3.03Å; A155-S158 PolarHBondContact O-OG 3.42Å |
| 156 | V | 89 | Confident | 93 | Very high | 138 Ų | 138 | 100 Ų | 100 | 84% | 0.836 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -59.8 | -29.1 | -174.7 | -67.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 157 | N | 93.3 | Very high | 93.1 | Very high | 146 Ų | 146 | 99.9 Ų | 99.9 | 78% | 0.781 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -89.4 | -1.8 | 179.5 | 64.9 | -28.1 | 0 | 0 | 0 | 113.9 | A155 | A155-N157 WeakPolarHBondContact CB-OD1 3.43Å; A155-N157 PolarHBondContact O-N 2.68Å; A155-N157 VanDerWaalsContact O-N 3.13Å |
| 158 | S | 93.7 | Very high | 93.2 | Very high | 81 Ų | 81 | 98.7 Ų | 98.7 | 57% | 0.566 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -107.4 | 11.4 | 177.9 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | A155 | A155-S158 PolarHBondContact O-N 3.03Å; A155-S158 PolarHBondContact O-OG 3.42Å |
| 159 | T | 93.7 | Very high | 93.4 | Very high | 57 Ų | 57 | 94.1 Ų | 94.1 | 35% | 0.35 | 53% | 0.527 | S | S | . | . | trans | -134.8 | 152.5 | 178 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | P154 | P154-T159 HydrophobicContact CB-CG2 3.82Å; P154-T159 HydrophobicContact CG-CG2 3.29Å | ||
| 160 | I | 95.1 | Very high | 93.5 | Very high | 126 Ų | 126 | 90.1 Ų | 90.1 | 65% | 0.646 | 51% | 0.514 | S | S | * | . | trans | -122.3 | 126.2 | 172.7 | -58.6 | 171.8 | 0 | 0 | 0 | 106.2 | F164 | I160-F164 HydrophobicContact CG2-CB 4.1Å; I160-F164 HydrophobicContact CG2-CD1 3.58Å; I160-F164 HydrophobicContact CG2-CE1 4.13Å; I160-F164 HydrophobicContact CG2-CG 3.83Å | ||
| 161 | Q | 93.5 | Very high | 93.8 | Very high | 148 Ų | 148 | 96.2 Ų | 96.2 | 69% | 0.692 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 149.5 | 179.2 | -61.6 | -62.6 | -34 | 0 | 0 | 110.3 | ||
| 162 | L | 94.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 96.2 Ų | 96.2 | 29% | 0.293 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -77.1 | 148.2 | 173.3 | -64.7 | 157.8 | 0 | 0 | 0 | 110.3 | F136 L139 F164 D199 L203 | F136-L162 HydrophobicContact CD2-CD1 3.91Å; F136-L162 HydrophobicContact CE2-CD1 3.6Å; L139-L162 HydrophobicContact CD2-CD1 3.78Å; L162-F164 HydrophobicContact CD2-CD1 3.93Å; L162-F164 HydrophobicContact CD2-CE1 3.61Å; L162-F164 HydrophobicContact CD2-CZ 4.4Å; L162-F164 HydrophobicContact CG-CD1 4.48Å; L162-F164 HydrophobicContact CG-CE1 4.26Å; L162-D199 HydrophobicContact CD2-CB 3.34Å; L162-D199 VanDerWaalsContact CD2-CG 3.48Å; L162-D199 VanDerWaalsContact CD2-OD2 3.28Å; L162-D199 WeakPolarHBondContact CD2-OD2 3.34Å; L162-L203 HydrophobicContact CD1-CD1 4.14Å; L162-L203 HydrophobicContact CD2-CD1 4.21Å |
| 163 | P | 96.3 | Very high | 94.6 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 79% | 0.792 | 52% | 0.517 | S | S | * | . | S | Bend | cis | -84.9 | 149.8 | -2.7 | 33.9 | -34.1 | 0 | 0 | 0 | 113.1 | D199 | P163-D199 WeakPolarHBondContact CA-OD2 2.69Å; P163-D199 WeakPolarHBondContact CB-OD2 3.35Å |
| 164 | F | 95.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 95.4 Ų | 95.4 | 18% | 0.184 | 51% | 0.513 | C | S | . | . | trans | -146.1 | 164.9 | 175 | 65.5 | -99.6 | 0 | 0 | 0 | 112.2 | I160 L162 I166 D199 V202 | I160-F164 HydrophobicContact CG2-CB 4.1Å; I160-F164 HydrophobicContact CG2-CD1 3.58Å; I160-F164 HydrophobicContact CG2-CE1 4.13Å; I160-F164 HydrophobicContact CG2-CG 3.83Å; L162-F164 HydrophobicContact CD2-CD1 3.93Å; L162-F164 HydrophobicContact CD2-CE1 3.61Å; L162-F164 HydrophobicContact CD2-CZ 4.4Å; L162-F164 HydrophobicContact CG-CD1 4.48Å; L162-F164 HydrophobicContact CG-CE1 4.26Å; F164-I166 HydrophobicContact CD2-CD1 4.35Å; F164-I166 HydrophobicContact CD2-CG1 3.77Å; F164-I166 HydrophobicContact CE2-CD1 3.7Å; F164-I166 HydrophobicContact CE2-CG1 3.6Å; F164-D199 HydrophobicContact CD1-CB 4.09Å; F164-D199 HydrophobicContact CD2-CB 4.07Å; F164-D199 HydrophobicContact CE1-CB 3.96Å; F164-D199 HydrophobicContact CE2-CB 3.88Å; F164-D199 HydrophobicContact CG-CB 4.15Å; F164-D199 HydrophobicContact CZ-CB 3.84Å; F164-D199 PolarHBondContact N-OD2 2.98Å; F164-D199 VanDerWaalsContact N-OD2 3.1Å; F164-D199 WeakPolarHBondContact O-CB 2.95Å; F164-D199 PolarHBondContact O-N 3.26Å; F164-V202 HydrophobicContact CE2-CG2 4.42Å; F164-V202 HydrophobicContact CZ-CG1 4.44Å | ||
| 165 | I | 96.8 | Very high | 95.2 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.3 | 167.3 | 59.7 | 173.2 | 0 | 0 | 0 | 109 | ||
| 166 | I | 96.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 97.9 Ų | 97.9 | 31% | 0.313 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.4 | 174.6 | -64.6 | -173.7 | 0 | 0 | 0 | 108.9 | F164 I196 H197 V202 | F164-I166 HydrophobicContact CD2-CD1 4.35Å; F164-I166 HydrophobicContact CD2-CG1 3.77Å; F164-I166 HydrophobicContact CE2-CD1 3.7Å; F164-I166 HydrophobicContact CE2-CG1 3.6Å; I166-I196 CarbonylContact O-C 3.5Å; I166-I196 WeakPolarHBondContact O-CA 3.46Å; I166-H197 HydrophobicContact CB-CB 4.45Å; I166-H197 PolarHBondContact N-O 3.29Å; I166-H197 PolarHBondContact O-N 3.4Å; I166-V202 HydrophobicContact CD1-CG1 4.3Å; I166-V202 HydrophobicContact CD1-CG2 3.88Å; I166-V202 HydrophobicContact CG1-CG2 4.48Å |
| 167 | I | 96.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 93.7 Ų | 93.7 | 36% | 0.359 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.8 | 166.8 | -55.4 | 175.2 | 0 | 0 | 0 | 107 | F190 F194 E195 I196 | I167-F190 HydrophobicContact CG2-CE1 4.26Å; I167-F190 HydrophobicContact CG2-CZ 3.87Å; I167-F194 HydrophobicContact CG2-CB 4.09Å; I167-F194 HydrophobicContact CG2-CD2 3.8Å; I167-F194 HydrophobicContact CG2-CG 4.19Å; I167-E195 WeakPolarHBondContact CA-O 3.28Å; I167-I196 HydrophobicContact CG1-CG1 4.36Å |
| 168 | N | 96.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 89.7 Ų | 89.7 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.4 | 176.6 | 70.5 | -28.1 | 0 | 0 | 0 | 110.3 | F194 E195 H197 | N168-F194 CarbonylContact O-C 3.55Å; N168-F194 WeakPolarHBondContact O-CA 3.25Å; N168-F194 WeakPolarHBondContact O-CB 3.45Å; N168-E195 PolarHBondContact N-O 2.79Å; N168-E195 PolarHBondContact ND2-OE2 3.21Å; N168-E195 PolarHBondContact O-N 3.26Å; N168-E195 VanDerWaalsContact OD1-CA 3.26Å; N168-E195 WeakPolarHBondContact OD1-CA 3.41Å; N168-E195 WeakPolarHBondContact OD1-CB 3.49Å; N168-E195 WeakPolarHBondContact OD1-CG 3.34Å; N168-E195 PolarHBondContact OD1-N 3.49Å; N168-E195 PolarHBondContact OD1-O 2.93Å; N168-E195 PolarHBondContact OD1-OE2 3.44Å; N168-H197 PolarHBondContact ND2-NE2 3.14Å; N168-H197 PolarHBondContact OD1-CD2 3.39Å; N168-H197 PolarHBondContact OD1-NE2 3.2Å; N168-H197 VanDerWaalsContact OD1-NE2 3.16Å |
| 169 | T | 97.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 90.2 Ų | 90.2 | 28% | 0.276 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 171.3 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | T173 I175 F190 T193 | T169-T173 HydrophobicContact CG2-CG2 4.06Å; T169-T173 WeakPolarHBondContact OG1-CB 3.39Å; T169-T173 WeakPolarHBondContact OG1-CG2 3.4Å; T169-T173 PolarHBondContact OG1-OG1 3.19Å; T169-I175 HydrophobicContact CG2-CD1 3.88Å; T169-I175 HydrophobicContact CG2-CG1 4.48Å; T169-F190 HydrophobicContact CG2-CD1 4.21Å; T169-F190 HydrophobicContact CG2-CE1 4.26Å; T169-T193 PolarHBondContact OG1-O 3.24Å |
| 170 | S | 97.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 89 Ų | 89 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | trans | -59.3 | 143.6 | 175.4 | 176 | 0 | 0 | 0 | 0 | 111.1 | K172 T173 | S170-K172 PolarHBondContact O-N 3.41Å; S170-K172 PolarHBondContact OG-N 2.96Å; S170-T173 WeakPolarHBondContact CB-OG1 3.49Å; S170-T173 PolarHBondContact N-OG1 3.2Å; S170-T173 VanDerWaalsContact O-CB 3.29Å; S170-T173 WeakPolarHBondContact O-CB 3.45Å; S170-T173 PolarHBondContact O-N 2.88Å; S170-T173 PolarHBondContact O-OG1 3.49Å; S170-T173 VanDerWaalsContact O-OG1 3.09Å | ||
| 171 | R | 95.6 | Very high | 96.4 | Very high | 256 Ų | 256 | 89.2 Ų | 89.2 | 97% | 0.966 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -14.9 | 174.8 | -65.5 | -173.7 | 175.9 | -153.2 | -1.3 | 113.8 | ||
| 172 | K | 96.8 | Very high | 96.6 | Very high | 189 Ų | 189 | 86.7 Ų | 86.7 | 82% | 0.822 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -10.4 | 178.2 | -61.3 | -178.6 | -179.3 | 178.7 | 0 | 113 | S170 | S170-K172 PolarHBondContact O-N 3.41Å; S170-K172 PolarHBondContact OG-N 2.96Å |
| 173 | T | 96.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 90.9 Ų | 90.9 | 10% | 0.098 | 48% | 0.483 | C | S | . | . | trans | -67 | 130.4 | -179.3 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | T169 S170 I175 F190 D191 N192 | T169-T173 HydrophobicContact CG2-CG2 4.06Å; T169-T173 WeakPolarHBondContact OG1-CB 3.39Å; T169-T173 WeakPolarHBondContact OG1-CG2 3.4Å; T169-T173 PolarHBondContact OG1-OG1 3.19Å; S170-T173 WeakPolarHBondContact CB-OG1 3.49Å; S170-T173 PolarHBondContact N-OG1 3.2Å; S170-T173 VanDerWaalsContact O-CB 3.29Å; S170-T173 WeakPolarHBondContact O-CB 3.45Å; S170-T173 PolarHBondContact O-N 2.88Å; S170-T173 PolarHBondContact O-OG1 3.49Å; S170-T173 VanDerWaalsContact O-OG1 3.09Å; T173-I175 HydrophobicContact CG2-CG1 4.31Å; T173-F190 HydrophobicContact CG2-CB 4.11Å; T173-F190 HydrophobicContact CG2-CD1 4.14Å; T173-D191 VanDerWaalsContact CA-OD1 3.3Å; T173-D191 WeakPolarHBondContact CA-OD1 3.32Å; T173-D191 WeakPolarHBondContact CG2-OD1 3.2Å; T173-N192 HydrophobicContact CG2-CB 3.89Å | ||
| 174 | V | 96.6 | Very high | 96.7 | Very high | 94 Ų | 94 | 93.8 Ų | 93.8 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | trans | -83.4 | 128.6 | 169.5 | -178 | 0 | 0 | 0 | 0 | 108.3 | D191 | V174-D191 HydrophobicContact CB-CB 4.47Å; V174-D191 WeakPolarHBondContact CB-OD2 3.48Å; V174-D191 WeakPolarHBondContact CG2-OD2 3.49Å; V174-D191 VanDerWaalsContact N-CG 3.35Å; V174-D191 PolarHBondContact N-OD1 3.49Å; V174-D191 PolarHBondContact N-OD2 3.29Å; V174-D191 PolarHBondContact O-N 3.34Å | ||
| 175 | I | 97.1 | Very high | 96.7 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120 | -178.9 | -49.6 | 173.4 | 0 | 0 | 0 | 108 | T169 T173 F188 N189 F190 | T169-I175 HydrophobicContact CG2-CD1 3.88Å; T169-I175 HydrophobicContact CG2-CG1 4.48Å; T173-I175 HydrophobicContact CG2-CG1 4.31Å; I175-F188 HydrophobicContact CG2-CD1 4.16Å; I175-N189 WeakPolarHBondContact CA-O 3.41Å; I175-F190 HydrophobicContact CB-CD1 4.47Å; I175-F190 HydrophobicContact CB-CE1 4.49Å; I175-F190 HydrophobicContact CD1-CD1 4.1Å; I175-F190 HydrophobicContact CD1-CE1 3.76Å; I175-F190 HydrophobicContact CG1-CD1 3.73Å; I175-F190 HydrophobicContact CG1-CE1 3.85Å; I175-F190 HydrophobicContact CG2-CD1 4.16Å; I175-F190 HydrophobicContact CG2-CE1 3.87Å; I175-F190 HydrophobicContact CG2-CZ 4.26Å |
| 176 | D | 96.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 98.6 Ų | 98.6 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.2 | 169.7 | 178.7 | 35.9 | 0 | 0 | 0 | 109.4 | F188 N189 | D176-F188 CarbonylContact O-C 3.58Å; D176-F188 WeakPolarHBondContact O-CA 3.49Å; D176-N189 HydrophobicContact CB-CB 4.25Å; D176-N189 PolarHBondContact N-O 3.42Å; D176-N189 PolarHBondContact O-N 2.99Å |
| 177 | C | 96.4 | Very high | 96.7 | Very high | 51 Ų | 51 | 100.3 Ų | 100.3 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 120.8 | -172.8 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | I179 L187 F188 | C177-I179 VanDerWaalsContact SG-CG1 3.57Å; C177-L187 WeakPolarHBondContact CA-O 3.34Å; C177-F188 HydrophobicContact CB-CD1 3.88Å; C177-F188 HydrophobicContact CB-CE1 3.94Å; C177-F188 WeakPolarHBondContact SG-CE1 3.47Å |
| 178 | S | 96.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 101.2 Ų | 101.2 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.5 | 172.1 | -67 | 0 | 0 | 0 | 0 | 109.5 | L187 | S178-L187 PolarHBondContact N-O 3.05Å; S178-L187 PolarHBondContact O-N 3.03Å |
| 179 | I | 97.4 | Very high | 96.8 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.8 | -175.6 | -48.2 | 173.3 | 0 | 0 | 0 | 108.2 | C177 K183 Y186 | C177-I179 VanDerWaalsContact SG-CG1 3.57Å; I179-K183 HydrophobicContact CG2-CG 4.19Å; I179-Y186 HydrophobicContact CB-CD1 4.25Å; I179-Y186 HydrophobicContact CB-CE1 4.2Å; I179-Y186 HydrophobicContact CD1-CD1 4.05Å; I179-Y186 HydrophobicContact CD1-CE1 3.69Å; I179-Y186 HydrophobicContact CG1-CD1 3.65Å; I179-Y186 HydrophobicContact CG1-CE1 3.72Å; I179-Y186 HydrophobicContact CG2-CD1 3.82Å; I179-Y186 HydrophobicContact CG2-CE1 3.44Å; I179-Y186 VanDerWaalsContact CG2-CE1 3.44Å; I179-Y186 HydrophobicContact CG2-CE2 4.22Å; I179-Y186 HydrophobicContact CG2-CG 4.34Å |
| 180 | S | 97.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 102.1 Ų | 102.1 | 23% | 0.231 | 51% | 0.511 | C | S | . | . | trans | -62.6 | 153.8 | 172.4 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | D182 K183 F184 E185 | S180-D182 VanDerWaalsContact CB-OD1 3.26Å; S180-D182 WeakPolarHBondContact CB-OD1 3.16Å; S180-D182 PolarHBondContact O-N 3.44Å; S180-D182 PolarHBondContact OG-OD1 3.4Å; S180-K183 PolarHBondContact O-N 3.06Å; S180-K183 PolarHBondContact OG-N 3.47Å; S180-F184 PolarHBondContact OG-N 3.49Å; S180-E185 PolarHBondContact N-O 2.79Å; S180-E185 PolarHBondContact OG-N 3.27Å; S180-E185 PolarHBondContact OG-O 3.25Å | ||
| 181 | S | 96.7 | Very high | 96.8 | Very high | 130 Ų | 130 | 104.2 Ų | 104.2 | 91% | 0.909 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31.4 | -178.9 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | K183 | S181-K183 VanDerWaalsContact C-N 3.35Š|
| 182 | D | 97.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 96.2 Ų | 96.2 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.7 | 178.5 | 63.3 | 4 | 0 | 0 | 0 | 113.4 | S180 F184 | S180-D182 VanDerWaalsContact CB-OD1 3.26Å; S180-D182 WeakPolarHBondContact CB-OD1 3.16Å; S180-D182 PolarHBondContact O-N 3.44Å; S180-D182 PolarHBondContact OG-OD1 3.4Å; D182-F184 HydrophobicContact CB-CD2 3.8Å; D182-F184 HydrophobicContact CB-CE2 4.37Å; D182-F184 PolarHBondContact O-N 2.91Å; D182-F184 PolarHBondContact OD1-N 3.06Å; D182-F184 VanDerWaalsContact OD1-N 3.07Å |
| 183 | K | 96.4 | Very high | 96.9 | Very high | 145 Ų | 145 | 92.6 Ų | 92.6 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 59.1 | 26.3 | -178.2 | -56.2 | -178.3 | -179.8 | -177.7 | 0 | 114.1 | I179 S180 S181 Y186 | I179-K183 HydrophobicContact CG2-CG 4.19Å; S180-K183 PolarHBondContact O-N 3.06Å; S180-K183 PolarHBondContact OG-N 3.47Å; S181-K183 VanDerWaalsContact C-N 3.35Å; K183-Y186 HydrophobicContact CB-CE2 4.32Å; K183-Y186 VanDerWaalsContact O-CE2 3.23Å; K183-Y186 WeakPolarHBondContact O-CE2 3.48Å |
| 184 | F | 96.9 | Very high | 96.9 | Very high | 183 Ų | 183 | 96.1 Ų | 96.1 | 80% | 0.803 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -89.4 | -20.3 | 170.5 | -76 | -70.5 | 0 | 0 | 0 | 113 | S180 D182 | S180-F184 PolarHBondContact OG-N 3.49Å; D182-F184 HydrophobicContact CB-CD2 3.8Å; D182-F184 HydrophobicContact CB-CE2 4.37Å; D182-F184 PolarHBondContact O-N 2.91Å; D182-F184 PolarHBondContact OD1-N 3.06Å; D182-F184 VanDerWaalsContact OD1-N 3.07Å |
| 185 | E | 96.7 | Very high | 96.9 | Very high | 145 Ų | 145 | 97.1 Ų | 97.1 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | trans | -125.2 | 130.7 | -179.2 | -168.2 | 172.8 | -163.7 | 0 | 0 | 110.7 | S180 | S180-E185 PolarHBondContact N-O 2.79Å; S180-E185 PolarHBondContact OG-N 3.27Å; S180-E185 PolarHBondContact OG-O 3.25Å | ||
| 186 | Y | 96.4 | Very high | 96.9 | Very high | 111 Ų | 111 | 98 Ų | 98 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.5 | 176.7 | -69.5 | -106 | 0 | 0 | 0 | 108.4 | I179 K183 F188 | I179-Y186 HydrophobicContact CB-CD1 4.25Å; I179-Y186 HydrophobicContact CB-CE1 4.2Å; I179-Y186 HydrophobicContact CD1-CD1 4.05Å; I179-Y186 HydrophobicContact CD1-CE1 3.69Å; I179-Y186 HydrophobicContact CG1-CD1 3.65Å; I179-Y186 HydrophobicContact CG1-CE1 3.72Å; I179-Y186 HydrophobicContact CG2-CD1 3.82Å; I179-Y186 HydrophobicContact CG2-CE1 3.44Å; I179-Y186 VanDerWaalsContact CG2-CE1 3.44Å; I179-Y186 HydrophobicContact CG2-CE2 4.22Å; I179-Y186 HydrophobicContact CG2-CG 4.34Å; K183-Y186 HydrophobicContact CB-CE2 4.32Å; K183-Y186 VanDerWaalsContact O-CE2 3.23Å; K183-Y186 WeakPolarHBondContact O-CE2 3.48Å; Y186-F188 HydrophobicContact CD1-CE2 4.19Å; Y186-F188 HydrophobicContact CD1-CZ 4.08Å; Y186-F188 HydrophobicContact CG-CE2 4.28Å |
| 187 | L | 97.1 | Very high | 96.8 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.7 | 172.4 | 178.6 | 68.1 | 0 | 0 | 0 | 108.6 | C177 S178 | C177-L187 WeakPolarHBondContact CA-O 3.34Å; S178-L187 PolarHBondContact N-O 3.05Å; S178-L187 PolarHBondContact O-N 3.03Å |
| 188 | F | 97 | Very high | 96.7 | Very high | 89 Ų | 89 | 97.2 Ų | 97.2 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.4 | 174.4 | -64 | -88.8 | 0 | 0 | 0 | 109.7 | I175 D176 C177 Y186 F190 | I175-F188 HydrophobicContact CG2-CD1 4.16Å; D176-F188 CarbonylContact O-C 3.58Å; D176-F188 WeakPolarHBondContact O-CA 3.49Å; C177-F188 HydrophobicContact CB-CD1 3.88Å; C177-F188 HydrophobicContact CB-CE1 3.94Å; C177-F188 WeakPolarHBondContact SG-CE1 3.47Å; Y186-F188 HydrophobicContact CD1-CE2 4.19Å; Y186-F188 HydrophobicContact CD1-CZ 4.08Å; Y186-F188 HydrophobicContact CG-CE2 4.28Å; F188-F190 HydrophobicContact CB-CD2 4.18Å; F188-F190 HydrophobicContact CB-CE2 3.37Å; F188-F190 HydrophobicContact CB-CZ 3.79Å; F188-F190 HydrophobicContact CG-CE2 4.36Å; F188-F190 HydrophobicContact CG-CZ 4.37Å |
| 189 | N | 96.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 95.1 Ų | 95.1 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.8 | 171.8 | -62.5 | -46.6 | 0 | 0 | 0 | 108.7 | I175 D176 | I175-N189 WeakPolarHBondContact CA-O 3.41Å; D176-N189 HydrophobicContact CB-CB 4.25Å; D176-N189 PolarHBondContact N-O 3.42Å; D176-N189 PolarHBondContact O-N 2.99Å |
| 190 | F | 97.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 93.9 Ų | 93.9 | 20% | 0.197 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.3 | 176.3 | -58.3 | -98.2 | 0 | 0 | 0 | 108.7 | I167 T169 T173 I175 F188 N192 F194 | I167-F190 HydrophobicContact CG2-CE1 4.26Å; I167-F190 HydrophobicContact CG2-CZ 3.87Å; T169-F190 HydrophobicContact CG2-CD1 4.21Å; T169-F190 HydrophobicContact CG2-CE1 4.26Å; T173-F190 HydrophobicContact CG2-CB 4.11Å; T173-F190 HydrophobicContact CG2-CD1 4.14Å; I175-F190 HydrophobicContact CB-CD1 4.47Å; I175-F190 HydrophobicContact CB-CE1 4.49Å; I175-F190 HydrophobicContact CD1-CD1 4.1Å; I175-F190 HydrophobicContact CD1-CE1 3.76Å; I175-F190 HydrophobicContact CG1-CD1 3.73Å; I175-F190 HydrophobicContact CG1-CE1 3.85Å; I175-F190 HydrophobicContact CG2-CD1 4.16Å; I175-F190 HydrophobicContact CG2-CE1 3.87Å; I175-F190 HydrophobicContact CG2-CZ 4.26Å; F188-F190 HydrophobicContact CB-CD2 4.18Å; F188-F190 HydrophobicContact CB-CE2 3.37Å; F188-F190 HydrophobicContact CB-CZ 3.79Å; F188-F190 HydrophobicContact CG-CE2 4.36Å; F188-F190 HydrophobicContact CG-CZ 4.37Å; F190-N192 WeakPolarHBondContact CB-O 3.47Å; F190-N192 PolarHBondContact O-N 3.39Å; F190-F194 HydrophobicContact CB-CD1 4Å; F190-F194 HydrophobicContact CD1-CB 4.31Å; F190-F194 HydrophobicContact CD1-CD1 4.22Å; F190-F194 HydrophobicContact CD1-CG 4.49Å; F190-F194 AromaticContact CD2-CD1 3.46Å; F190-F194 HydrophobicContact CD2-CD1 3.46Å; F190-F194 VanDerWaalsContact CD2-CD1 3.46Å; F190-F194 AromaticContact CD2-CE1 3.59Å; F190-F194 HydrophobicContact CD2-CE1 3.59Å; F190-F194 HydrophobicContact CD2-CG 4.2Å; F190-F194 HydrophobicContact CD2-CZ 4.42Å; F190-F194 HydrophobicContact CE1-CB 4.4Å; F190-F194 AromaticContact CE2-CD1 3.92Å; F190-F194 HydrophobicContact CE2-CD1 3.92Å; F190-F194 HydrophobicContact CE2-CE1 4.02Å; F190-F194 HydrophobicContact CE2-CG 4.26Å; F190-F194 HydrophobicContact CE2-CZ 4.44Å; F190-F194 AromaticContact CG-CD1 3.64Å; F190-F194 HydrophobicContact CG-CD1 3.64Å; F190-F194 HydrophobicContact CG-CE1 4.2Å; F190-F194 HydrophobicContact CG-CG 4.33Å; F190-F194 HydrophobicContact CZ-CD1 4.49Å; F190-F194 HydrophobicContact CZ-CG 4.47Å |
| 191 | D | 96.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -80 | 0.4 | 173.7 | 74 | -15.6 | 0 | 0 | 0 | 113.4 | T173 V174 | T173-D191 VanDerWaalsContact CA-OD1 3.3Å; T173-D191 WeakPolarHBondContact CA-OD1 3.32Å; T173-D191 WeakPolarHBondContact CG2-OD1 3.2Å; V174-D191 HydrophobicContact CB-CB 4.47Å; V174-D191 WeakPolarHBondContact CB-OD2 3.48Å; V174-D191 WeakPolarHBondContact CG2-OD2 3.49Å; V174-D191 VanDerWaalsContact N-CG 3.35Å; V174-D191 PolarHBondContact N-OD1 3.49Å; V174-D191 PolarHBondContact N-OD2 3.29Å; V174-D191 PolarHBondContact O-N 3.34Å |
| 192 | N | 96.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 96.2 Ų | 96.2 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -149.5 | 175 | -179.4 | -151.6 | -18 | 0 | 0 | 0 | 111.5 | T173 F190 | T173-N192 HydrophobicContact CG2-CB 3.89Å; F190-N192 WeakPolarHBondContact CB-O 3.47Å; F190-N192 PolarHBondContact O-N 3.39Å |
| 193 | T | 97.2 | Very high | 95 | Very high | 113 Ų | 113 | 96.3 Ų | 96.3 | 69% | 0.693 | 47% | 0.471 | S | S | * | . | trans | -62.9 | 146.7 | 179.4 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | T169 | T169-T193 PolarHBondContact OG1-O 3.24Š| ||
| 194 | F | 97.3 | Very high | 94.9 | Very high | 90 Ų | 90 | 93.9 Ų | 93.9 | 40% | 0.395 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 161.8 | 172 | 63.5 | -91.6 | 0 | 0 | 0 | 109.3 | I167 N168 F190 I196 | I167-F194 HydrophobicContact CG2-CB 4.09Å; I167-F194 HydrophobicContact CG2-CD2 3.8Å; I167-F194 HydrophobicContact CG2-CG 4.19Å; N168-F194 CarbonylContact O-C 3.55Å; N168-F194 WeakPolarHBondContact O-CA 3.25Å; N168-F194 WeakPolarHBondContact O-CB 3.45Å; F190-F194 HydrophobicContact CB-CD1 4Å; F190-F194 HydrophobicContact CD1-CB 4.31Å; F190-F194 HydrophobicContact CD1-CD1 4.22Å; F190-F194 HydrophobicContact CD1-CG 4.49Å; F190-F194 AromaticContact CD2-CD1 3.46Å; F190-F194 HydrophobicContact CD2-CD1 3.46Å; F190-F194 VanDerWaalsContact CD2-CD1 3.46Å; F190-F194 AromaticContact CD2-CE1 3.59Å; F190-F194 HydrophobicContact CD2-CE1 3.59Å; F190-F194 HydrophobicContact CD2-CG 4.2Å; F190-F194 HydrophobicContact CD2-CZ 4.42Å; F190-F194 HydrophobicContact CE1-CB 4.4Å; F190-F194 AromaticContact CE2-CD1 3.92Å; F190-F194 HydrophobicContact CE2-CD1 3.92Å; F190-F194 HydrophobicContact CE2-CE1 4.02Å; F190-F194 HydrophobicContact CE2-CG 4.26Å; F190-F194 HydrophobicContact CE2-CZ 4.44Å; F190-F194 AromaticContact CG-CD1 3.64Å; F190-F194 HydrophobicContact CG-CD1 3.64Å; F190-F194 HydrophobicContact CG-CE1 4.2Å; F190-F194 HydrophobicContact CG-CG 4.33Å; F190-F194 HydrophobicContact CZ-CD1 4.49Å; F190-F194 HydrophobicContact CZ-CG 4.47Å; F194-I196 HydrophobicContact CD2-CG1 4.09Å; F194-I196 HydrophobicContact CE2-CD1 4.03Å; F194-I196 HydrophobicContact CE2-CG1 3.95Å |
| 195 | E | 97.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 89.2 Ų | 89.2 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.7 | 172.5 | -23.7 | 168 | 137.6 | 0 | 0 | 109.1 | I167 N168 H197 | I167-E195 WeakPolarHBondContact CA-O 3.28Å; N168-E195 PolarHBondContact N-O 2.79Å; N168-E195 PolarHBondContact ND2-OE2 3.21Å; N168-E195 PolarHBondContact O-N 3.26Å; N168-E195 VanDerWaalsContact OD1-CA 3.26Å; N168-E195 WeakPolarHBondContact OD1-CA 3.41Å; N168-E195 WeakPolarHBondContact OD1-CB 3.49Å; N168-E195 WeakPolarHBondContact OD1-CG 3.34Å; N168-E195 PolarHBondContact OD1-N 3.49Å; N168-E195 PolarHBondContact OD1-O 2.93Å; N168-E195 PolarHBondContact OD1-OE2 3.44Å; E195-H197 IonicContact OE2-CE1 3.6Å; E195-H197 IonicContact OE2-NE2 3.18Å; E195-H197 PolarHBondContact OE2-NE2 3.06Å |
| 196 | I | 96.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 86.1 Ų | 86.1 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128 | 179.5 | -52.2 | -179.1 | 0 | 0 | 0 | 107 | I166 I167 F194 | I166-I196 CarbonylContact O-C 3.5Å; I166-I196 WeakPolarHBondContact O-CA 3.46Å; I167-I196 HydrophobicContact CG1-CG1 4.36Å; F194-I196 HydrophobicContact CD2-CG1 4.09Å; F194-I196 HydrophobicContact CE2-CD1 4.03Å; F194-I196 HydrophobicContact CE2-CG1 3.95Å |
| 197 | H | 95.4 | Very high | 94.6 | Very high | 54 Ų | 54 | 84.6 Ų | 84.6 | 25% | 0.25 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.8 | 178.5 | -56.1 | -88.2 | 0 | 0 | 0 | 108.8 | I166 N168 E195 E201 V202 | I166-H197 HydrophobicContact CB-CB 4.45Å; I166-H197 PolarHBondContact N-O 3.29Å; I166-H197 PolarHBondContact O-N 3.4Å; N168-H197 PolarHBondContact ND2-NE2 3.14Å; N168-H197 PolarHBondContact OD1-CD2 3.39Å; N168-H197 PolarHBondContact OD1-NE2 3.2Å; N168-H197 VanDerWaalsContact OD1-NE2 3.16Å; E195-H197 IonicContact OE2-CE1 3.6Å; E195-H197 IonicContact OE2-NE2 3.18Å; E195-H197 PolarHBondContact OE2-NE2 3.06Å; H197-E201 IonicContact ND1-OE2 3.02Å; H197-V202 HydrophobicContact CB-CG2 4.23Å |
| 198 | D | 94.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 83.8 Ų | 83.8 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 158.8 | 171.8 | -158.2 | 1.4 | 0 | 0 | 0 | 110.1 | I200 E201 V202 | D198-I200 PolarHBondContact O-N 3.11Å; D198-E201 PolarHBondContact O-N 2.98Å; D198-E201 VanDerWaalsContact O-N 3.09Å; D198-V202 WeakPolarHBondContact O-CG2 3.45Å; D198-V202 PolarHBondContact O-N 2.99Å |
| 199 | D | 92.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 83.5 Ų | 83.5 | 10% | 0.096 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.8 | -33 | -179.8 | 57 | 28.2 | 0 | 0 | 0 | 112.9 | L162 P163 F164 E201 V202 L203 | L162-D199 HydrophobicContact CD2-CB 3.34Å; L162-D199 VanDerWaalsContact CD2-CG 3.48Å; L162-D199 VanDerWaalsContact CD2-OD2 3.28Å; L162-D199 WeakPolarHBondContact CD2-OD2 3.34Å; P163-D199 WeakPolarHBondContact CA-OD2 2.69Å; P163-D199 WeakPolarHBondContact CB-OD2 3.35Å; F164-D199 HydrophobicContact CD1-CB 4.09Å; F164-D199 HydrophobicContact CD2-CB 4.07Å; F164-D199 HydrophobicContact CE1-CB 3.96Å; F164-D199 HydrophobicContact CE2-CB 3.88Å; F164-D199 HydrophobicContact CG-CB 4.15Å; F164-D199 HydrophobicContact CZ-CB 3.84Å; F164-D199 PolarHBondContact N-OD2 2.98Å; F164-D199 VanDerWaalsContact N-OD2 3.1Å; F164-D199 WeakPolarHBondContact O-CB 2.95Å; F164-D199 PolarHBondContact O-N 3.26Å; D199-E201 VanDerWaalsContact C-N 3.32Å; D199-E201 PolarHBondContact O-N 3.38Å; D199-V202 WeakPolarHBondContact O-CB 3.33Å; D199-V202 PolarHBondContact O-N 2.95Å; D199-V202 VanDerWaalsContact O-N 3.16Å; D199-L203 WeakPolarHBondContact O-CG 3.49Å; D199-L203 PolarHBondContact O-N 2.84Å |
| 200 | I | 88.8 | Confident | 94.1 | Very high | 64 Ų | 64 | 84 Ų | 84 | 33% | 0.328 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 177.4 | -54.1 | -173.9 | 0 | 0 | 0 | 112.1 | Q132 D198 V202 | Q132-I200 HydrophobicContact CG-CB 4.5Å; Q132-I200 HydrophobicContact CG-CD1 3.97Å; Q132-I200 HydrophobicContact CG-CG1 4.42Å; Q132-I200 HydrophobicContact CG-CG2 3.41Å; Q132-I200 VanDerWaalsContact CG-CG2 3.41Å; Q132-I200 VanDerWaalsContact NE2-CD1 3.26Å; D198-I200 PolarHBondContact O-N 3.11Å; I200-V202 VanDerWaalsContact C-N 3.27Å |
| 201 | E | 88.9 | Confident | 93.8 | Very high | 139 Ų | 139 | 87 Ų | 87 | 65% | 0.65 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -74.3 | -22.9 | 179.3 | -64.8 | -177.4 | 153 | 0 | 0 | 112 | H197 D198 D199 | H197-E201 IonicContact ND1-OE2 3.02Å; D198-E201 PolarHBondContact O-N 2.98Å; D198-E201 VanDerWaalsContact O-N 3.09Å; D199-E201 VanDerWaalsContact C-N 3.32Å; D199-E201 PolarHBondContact O-N 3.38Å |
| 202 | V | 90.6 | Very high | 93.6 | Very high | 74 Ų | 74 | 85.5 Ų | 85.5 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -82.2 | -27.2 | 179 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | F164 I166 H197 D198 D199 I200 | F164-V202 HydrophobicContact CE2-CG2 4.42Å; F164-V202 HydrophobicContact CZ-CG1 4.44Å; I166-V202 HydrophobicContact CD1-CG1 4.3Å; I166-V202 HydrophobicContact CD1-CG2 3.88Å; I166-V202 HydrophobicContact CG1-CG2 4.48Å; H197-V202 HydrophobicContact CB-CG2 4.23Å; D198-V202 WeakPolarHBondContact O-CG2 3.45Å; D198-V202 PolarHBondContact O-N 2.99Å; D199-V202 WeakPolarHBondContact O-CB 3.33Å; D199-V202 PolarHBondContact O-N 2.95Å; D199-V202 VanDerWaalsContact O-N 3.16Å; I200-V202 VanDerWaalsContact C-N 3.27Å |
| 203 | L | 87.8 | Confident | 93.3 | Very high | 95 Ų | 95 | 85.3 Ų | 85.3 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | trans | -82.7 | 0 | -176 | -69.5 | 179.9 | 0 | 0 | 0 | 114.2 | A135 L139 L162 D199 | A135-L203 HydrophobicContact CB-CB 4Å; L139-L203 HydrophobicContact CB-CD2 4.41Å; L139-L203 HydrophobicContact CD1-CD2 4.06Å; L139-L203 HydrophobicContact CD2-CD1 4.32Å; L139-L203 HydrophobicContact CD2-CD2 3.55Å; L139-L203 HydrophobicContact CG-CD2 4.2Å; L162-L203 HydrophobicContact CD1-CD1 4.14Å; L162-L203 HydrophobicContact CD2-CD1 4.21Å; D199-L203 WeakPolarHBondContact O-CG 3.49Å; D199-L203 PolarHBondContact O-N 2.84Å |
Retrieved 203 of 203 residues in 337 ms
(Link to these results)