| 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 | 51.6 | Low | 68.1 | Low | 243 Ų | 243 | 119.3 Ų | 119.3 | 100% | 1.197 | 57% | 0.567 | S | S | * | * | 0 | 138.7 | 0 | -67 | -173.6 | -153.6 | 0 | 0 | 108 | G3 | M1-G3 PolarHBondContact O-N 3.4Š| |||
| 2 | L | 56.7 | Low | 69.5 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | trans | -72.5 | -6 | -177.5 | -70.9 | 168.3 | 0 | 0 | 0 | 114.6 | F8 L9 | L2-F8 HydrophobicContact CD2-CD1 4.16Å; L2-F8 PolarHBondContact O-N 3.24Å; L2-L9 HydrophobicContact CB-CB 4.49Å; L2-L9 HydrophobicContact CB-CD1 3.49Å; L2-L9 VanDerWaalsContact CB-CD1 3.49Å; L2-L9 HydrophobicContact CB-CG 3.83Å; L2-L9 HydrophobicContact CD1-CD1 3.91Å; L2-L9 HydrophobicContact CD1-CG 4.24Å; L2-L9 HydrophobicContact CG-CD1 4.34Å; L2-L9 PolarHBondContact O-N 2.87Å | ||
| 3 | G | 54.3 | Low | 70.7 | Confident | 26 Ų | 26 | 112.5 Ų | 112.5 | 27% | 0.268 | 53% | 0.534 | S | S | . | . | trans | 63.3 | 96.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 N5 | M1-G3 PolarHBondContact O-N 3.4Å; G3-N5 VanDerWaalsContact C-N 3.29Å; G3-N5 PolarHBondContact O-N 3.2Å | ||
| 4 | R | 58.9 | Low | 71.9 | Confident | 201 Ų | 201 | 113.6 Ų | 113.6 | 76% | 0.758 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -60.5 | -36.5 | -179.1 | -173.1 | 177 | 178.9 | 174.2 | 0.7 | 113.1 | ||
| 5 | N | 63.3 | Low | 73 | Confident | 136 Ų | 136 | 114 Ų | 114 | 73% | 0.727 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -109.2 | -25.1 | -170.7 | -61.7 | -11.9 | 0 | 0 | 0 | 113.8 | G3 | G3-N5 VanDerWaalsContact C-N 3.29Å; G3-N5 PolarHBondContact O-N 3.2Å |
| 6 | R | 61.4 | Low | 73.8 | Confident | 239 Ų | 239 | 111.5 Ų | 111.5 | 90% | 0.902 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -149.4 | 79.9 | -178.3 | -68.3 | -170.5 | 178.5 | -179.2 | -0.8 | 108.9 | ||
| 7 | G | 79.1 | Confident | 74.3 | Confident | 29 Ų | 29 | 110.6 Ų | 110.6 | 30% | 0.299 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -174.5 | -169.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L9 S10 Y11 | G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 3.34Å; G7-S10 PolarHBondContact N-OG 3.43Å; G7-S10 PolarHBondContact O-N 3.22Å; G7-S10 VanDerWaalsContact O-N 3.13Å; G7-S10 PolarHBondContact O-OG 2.94Å; G7-Y11 PolarHBondContact O-N 3.31Å; G7-Y11 VanDerWaalsContact O-N 3.14Å |
| 8 | F | 81.3 | Confident | 74.6 | Confident | 124 Ų | 124 | 112.7 Ų | 112.7 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.2 | -42.2 | 179.8 | 176.2 | -103.1 | 0 | 0 | 0 | 112.2 | L2 S10 Y11 L12 | L2-F8 HydrophobicContact CD2-CD1 4.16Å; L2-F8 PolarHBondContact O-N 3.24Å; F8-S10 VanDerWaalsContact C-N 3.34Å; F8-S10 PolarHBondContact O-N 3.09Å; F8-Y11 PolarHBondContact O-N 2.6Å; F8-L12 HydrophobicContact CE1-CD1 4.06Å; F8-L12 HydrophobicContact CE1-CD2 4.41Å; F8-L12 HydrophobicContact CE2-CD1 3.89Å; F8-L12 HydrophobicContact CZ-CD1 3.57Å; F8-L12 WeakPolarHBondContact O-CB 3.33Å; F8-L12 PolarHBondContact O-N 3.08Å |
| 9 | L | 78.2 | Confident | 74.9 | Confident | 33 Ų | 33 | 109.3 Ų | 109.3 | 17% | 0.173 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 178.8 | -87.9 | 173.2 | 0 | 0 | 0 | 112.9 | L2 G7 L12 K13 L19 A21 | L2-L9 HydrophobicContact CB-CB 4.49Å; L2-L9 HydrophobicContact CB-CD1 3.49Å; L2-L9 VanDerWaalsContact CB-CD1 3.49Å; L2-L9 HydrophobicContact CB-CG 3.83Å; L2-L9 HydrophobicContact CD1-CD1 3.91Å; L2-L9 HydrophobicContact CD1-CG 4.24Å; L2-L9 HydrophobicContact CG-CD1 4.34Å; L2-L9 PolarHBondContact O-N 2.87Å; G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 3.34Å; L9-L12 PolarHBondContact O-N 3.26Å; L9-K13 WeakPolarHBondContact O-CB 3.4Å; L9-K13 WeakPolarHBondContact O-CG 3.43Å; L9-K13 PolarHBondContact O-N 3.39Å; L9-L19 HydrophobicContact CD2-CD2 4.22Å; L9-A21 HydrophobicContact CD1-CB 4.09Å; L9-A21 HydrophobicContact CD2-CB 3.42Å; L9-A21 VanDerWaalsContact CD2-CB 3.42Å; L9-A21 HydrophobicContact CG-CB 4.36Å |
| 10 | S | 80.4 | Confident | 75.1 | Confident | 41 Ų | 41 | 108.7 Ų | 108.7 | 29% | 0.287 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 177.3 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | G7 F8 K13 E14 | G7-S10 PolarHBondContact N-OG 3.43Å; G7-S10 PolarHBondContact O-N 3.22Å; G7-S10 VanDerWaalsContact O-N 3.13Å; G7-S10 PolarHBondContact O-OG 2.94Å; F8-S10 VanDerWaalsContact C-N 3.34Å; F8-S10 PolarHBondContact O-N 3.09Å; S10-K13 PolarHBondContact O-N 3.32Å; S10-E14 PolarHBondContact O-N 3.25Å; S10-E14 VanDerWaalsContact O-N 3.13Å |
| 11 | Y | 84.4 | Confident | 75.4 | Confident | 131 Ų | 131 | 104.9 Ų | 104.9 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.4 | -179.5 | -96.4 | 0 | 0 | 0 | 111.9 | G7 F8 K13 E14 K15 | G7-Y11 PolarHBondContact O-N 3.31Å; G7-Y11 VanDerWaalsContact O-N 3.14Å; F8-Y11 PolarHBondContact O-N 2.6Å; Y11-K13 VanDerWaalsContact C-N 3.33Å; Y11-K13 PolarHBondContact O-N 3.11Å; Y11-E14 WeakPolarHBondContact O-CB 3.39Å; Y11-E14 PolarHBondContact O-N 3.17Å; Y11-K15 HydrophobicContact CE1-CG 4.17Å; Y11-K15 PolarHBondContact O-N 3.39Å |
| 12 | L | 84.3 | Confident | 76.9 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 180 | -139.9 | 86.2 | 0 | 0 | 0 | 111.8 | F8 L9 E14 K15 V16 L19 | F8-L12 HydrophobicContact CE1-CD1 4.06Å; F8-L12 HydrophobicContact CE1-CD2 4.41Å; F8-L12 HydrophobicContact CE2-CD1 3.89Å; F8-L12 HydrophobicContact CZ-CD1 3.57Å; F8-L12 WeakPolarHBondContact O-CB 3.33Å; F8-L12 PolarHBondContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 3.26Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.34Å; L12-K15 PolarHBondContact O-N 2.94Å; L12-V16 PolarHBondContact O-N 2.97Å; L12-L19 HydrophobicContact CB-CD2 3.79Å; L12-L19 HydrophobicContact CD2-CD1 4.11Å; L12-L19 HydrophobicContact CD2-CD2 3.46Å; L12-L19 VanDerWaalsContact CD2-CD2 3.46Å; L12-L19 HydrophobicContact CD2-CG 4.41Å; L12-L19 HydrophobicContact CG-CD2 4.04Å |
| 13 | K | 85.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 95.4 Ų | 95.4 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -28 | 174.7 | -76.8 | -170 | 173 | -151.1 | 0 | 113.7 | L9 S10 Y11 K15 V16 P17 L19 | L9-K13 WeakPolarHBondContact O-CB 3.4Å; L9-K13 WeakPolarHBondContact O-CG 3.43Å; L9-K13 PolarHBondContact O-N 3.39Å; S10-K13 PolarHBondContact O-N 3.32Å; Y11-K13 VanDerWaalsContact C-N 3.33Å; Y11-K13 PolarHBondContact O-N 3.11Å; K13-K15 VanDerWaalsContact C-N 3.3Å; K13-V16 WeakPolarHBondContact CA-O 3.37Å; K13-V16 CarbonylContact O-C 3.53Å; K13-P17 VanDerWaalsContact O-CA 3.29Å; K13-P17 WeakPolarHBondContact O-CA 3.41Å; K13-L19 WeakPolarHBondContact CE-O 3.4Å; K13-L19 HydrophobicContact CG-CB 4.34Å; K13-L19 HydrophobicContact CG-CD2 4.1Å |
| 14 | E | 87.2 | Confident | 79.8 | Confident | 128 Ų | 128 | 97.9 Ų | 97.9 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -37.1 | 172 | -168.7 | -157.8 | 119.5 | 0 | 0 | 111.1 | S10 Y11 L12 | S10-E14 PolarHBondContact O-N 3.25Å; S10-E14 VanDerWaalsContact O-N 3.13Å; Y11-E14 WeakPolarHBondContact O-CB 3.39Å; Y11-E14 PolarHBondContact O-N 3.17Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.34Å |
| 15 | K | 88.3 | Confident | 81.3 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -84.8 | -30.1 | -179.9 | -59.6 | -51.5 | -179.5 | -151.5 | 0 | 113.6 | Y11 L12 K13 | Y11-K15 HydrophobicContact CE1-CG 4.17Å; Y11-K15 PolarHBondContact O-N 3.39Å; L12-K15 PolarHBondContact O-N 2.94Å; K13-K15 VanDerWaalsContact C-N 3.3Å |
| 16 | V | 85.9 | Confident | 82.4 | Confident | 74 Ų | 74 | 84 Ų | 84 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | trans | -133.9 | 86.7 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | L12 K13 D18 L19 | L12-V16 PolarHBondContact O-N 2.97Å; K13-V16 WeakPolarHBondContact CA-O 3.37Å; K13-V16 CarbonylContact O-C 3.53Å; V16-D18 PolarHBondContact O-N 3.09Å; V16-L19 HydrophobicContact CB-CB 4.24Å; V16-L19 HydrophobicContact CG1-CB 4.17Å; V16-L19 WeakPolarHBondContact O-CB 3.46Å; V16-L19 PolarHBondContact O-N 3.28Å | ||
| 17 | P | 81.6 | Confident | 83.6 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -35.2 | -175.2 | -25.6 | 34.7 | 0 | 0 | 0 | 113.2 | K13 L19 | K13-P17 VanDerWaalsContact O-CA 3.29Å; K13-P17 WeakPolarHBondContact O-CA 3.41Å; P17-L19 PolarHBondContact O-N 2.8Å |
| 18 | D | 79.6 | Confident | 84.2 | Confident | 147 Ų | 147 | 77 Ų | 77 | 79% | 0.786 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.8 | -176.8 | -52.3 | -52.8 | 0 | 0 | 0 | 113.4 | V16 L20 | V16-D18 PolarHBondContact O-N 3.09Å; D18-L20 PolarHBondContact O-N 3.16Å |
| 19 | L | 81.7 | Confident | 84.6 | Confident | 49 Ų | 49 | 71 Ų | 71 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | trans | -62.4 | 112.9 | 177.4 | -179.6 | 78.4 | 0 | 0 | 0 | 111.4 | L9 L12 K13 V16 P17 A21 | L9-L19 HydrophobicContact CD2-CD2 4.22Å; L12-L19 HydrophobicContact CB-CD2 3.79Å; L12-L19 HydrophobicContact CD2-CD1 4.11Å; L12-L19 HydrophobicContact CD2-CD2 3.46Å; L12-L19 VanDerWaalsContact CD2-CD2 3.46Å; L12-L19 HydrophobicContact CD2-CG 4.41Å; L12-L19 HydrophobicContact CG-CD2 4.04Å; K13-L19 WeakPolarHBondContact CE-O 3.4Å; K13-L19 HydrophobicContact CG-CB 4.34Å; K13-L19 HydrophobicContact CG-CD2 4.1Å; V16-L19 HydrophobicContact CB-CB 4.24Å; V16-L19 HydrophobicContact CG1-CB 4.17Å; V16-L19 WeakPolarHBondContact O-CB 3.46Å; V16-L19 PolarHBondContact O-N 3.28Å; P17-L19 PolarHBondContact O-N 2.8Å; L19-A21 PolarHBondContact O-N 3.46Å | ||
| 20 | L | 78.8 | Confident | 84.9 | Confident | 96 Ų | 96 | 70.4 Ų | 70.4 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | trans | -80.3 | 104.2 | 169 | -171.4 | 67.7 | 0 | 0 | 0 | 110.6 | D18 V22 M218 | D18-L20 PolarHBondContact O-N 3.16Å; L20-V22 HydrophobicContact CD2-CG2 4.03Å; L20-V22 HydrophobicContact CG-CG2 3.92Å; L20-M218 HydrophobicContact CD2-CG 4.23Å; L20-M218 HydrophobicContact CD2-SD 4.01Å | ||
| 21 | A | 81.5 | Confident | 85.4 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 24% | 0.24 | 37% | 0.367 | C | S | . | . | trans | -92.4 | 108 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | L9 L19 | L9-A21 HydrophobicContact CD1-CB 4.09Å; L9-A21 HydrophobicContact CD2-CB 3.42Å; L9-A21 VanDerWaalsContact CD2-CB 3.42Å; L9-A21 HydrophobicContact CG-CB 4.36Å; L19-A21 PolarHBondContact O-N 3.46Å | ||
| 22 | V | 82 | Confident | 85.7 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 28% | 0.279 | 34% | 0.342 | S | S | . | . | trans | -100.5 | 133.5 | 177.9 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | L20 L148 I215 | L20-V22 HydrophobicContact CD2-CG2 4.03Å; L20-V22 HydrophobicContact CG-CG2 3.92Å; V22-L148 HydrophobicContact CB-CD2 4.45Å; V22-L148 HydrophobicContact CG1-CD2 4.39Å; V22-L148 HydrophobicContact CG2-CD1 4.42Å; V22-L148 HydrophobicContact CG2-CD2 4.04Å; V22-I215 HydrophobicContact CG1-CD1 3.64Å; V22-I215 HydrophobicContact CG1-CG1 3.75Å | ||
| 23 | H | 83.3 | Confident | 85.9 | Confident | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | trans | -71.6 | 160.5 | 172 | -71.8 | -101.8 | 0 | 0 | 0 | 110.9 | V25 R28 | H23-V25 PolarHBondContact O-N 3.18Å; H23-R28 PolarHBondContact CD2-NH2 3.01Å | ||
| 24 | C | 88.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 53% | 0.534 | 33% | 0.327 | S | S | . | . | trans | -55.6 | 115.6 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | I26 H27 R28 | C24-I26 VanDerWaalsContact C-N 3.34Å; C24-I26 PolarHBondContact O-N 3.11Å; C24-H27 HydrophobicContact CB-CB 3.81Å; C24-H27 WeakPolarHBondContact O-CB 3.49Å; C24-H27 PolarHBondContact O-N 3.45Å; C24-H27 VanDerWaalsContact O-N 3.12Å; C24-H27 PolarHBondContact SG-N 3.47Å; C24-R28 PolarHBondContact O-N 2.83Å | ||
| 25 | V | 90.4 | Very high | 86.2 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | -178.2 | -176 | 0 | 0 | 0 | 0 | 110.5 | H23 H27 R28 Q29 L141 T151 Y212 I215 | H23-V25 PolarHBondContact O-N 3.18Å; V25-H27 VanDerWaalsContact C-N 3.27Å; V25-H27 PolarHBondContact O-N 3.49Å; V25-R28 WeakPolarHBondContact O-CB 3.44Å; V25-R28 PolarHBondContact O-N 3.4Å; V25-R28 VanDerWaalsContact O-N 3.12Å; V25-Q29 PolarHBondContact O-N 2.89Å; V25-L141 HydrophobicContact CG1-CD1 3.62Å; V25-L141 HydrophobicContact CG1-CD2 3.84Å; V25-L141 HydrophobicContact CG1-CG 4.22Å; V25-T151 HydrophobicContact CB-CG2 4.23Å; V25-T151 HydrophobicContact CG1-CG2 3.55Å; V25-T151 HydrophobicContact CG2-CG2 3.67Å; V25-Y212 HydrophobicContact CG1-CE1 3.71Å; V25-Y212 PolarHBondContact O-OH 3.44Å; V25-I215 HydrophobicContact CG2-CD1 3.85Å |
| 26 | I | 87.4 | Confident | 86.4 | Confident | 26 Ų | 26 | 56 Ų | 56 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.1 | -57 | -58.5 | 0 | 0 | 0 | 111.2 | C24 Q29 H30 T82 N138 L141 Q142 | C24-I26 VanDerWaalsContact C-N 3.34Å; C24-I26 PolarHBondContact O-N 3.11Å; I26-Q29 PolarHBondContact O-N 3.08Å; I26-H30 WeakPolarHBondContact O-CB 3.43Å; I26-H30 PolarHBondContact O-N 3.19Å; I26-T82 HydrophobicContact CG2-CG2 4.4Å; I26-N138 WeakPolarHBondContact CD1-OD1 3.29Å; I26-L141 HydrophobicContact CD1-CB 3.49Å; I26-L141 VanDerWaalsContact CD1-CB 3.49Å; I26-L141 HydrophobicContact CD1-CD1 4.44Å; I26-Q142 HydrophobicContact CD1-CG 3.62Å; I26-Q142 HydrophobicContact CG1-CG 4.28Å |
| 27 | H | 86.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 176.5 | -177.3 | 66.9 | 0 | 0 | 0 | 112 | C24 V25 H30 L31 | C24-H27 HydrophobicContact CB-CB 3.81Å; C24-H27 WeakPolarHBondContact O-CB 3.49Å; C24-H27 PolarHBondContact O-N 3.45Å; C24-H27 VanDerWaalsContact O-N 3.12Å; C24-H27 PolarHBondContact SG-N 3.47Å; V25-H27 VanDerWaalsContact C-N 3.27Å; V25-H27 PolarHBondContact O-N 3.49Å; H27-H30 WeakPolarHBondContact O-CB 3.46Å; H27-H30 PolarHBondContact O-N 2.66Å; H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 3.12Å; H27-L31 VanDerWaalsContact O-N 3.1Å |
| 28 | R | 91 | Very high | 87.5 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 175 | -71.9 | 176.9 | 172.2 | 167.7 | 0.1 | 111.8 | H23 C24 V25 H30 L31 V32 R211 Y212 D214 | H23-R28 PolarHBondContact CD2-NH2 3.01Å; C24-R28 PolarHBondContact O-N 2.83Å; V25-R28 WeakPolarHBondContact O-CB 3.44Å; V25-R28 PolarHBondContact O-N 3.4Å; V25-R28 VanDerWaalsContact O-N 3.12Å; R28-H30 PolarHBondContact O-N 3.28Å; R28-L31 PolarHBondContact O-N 3.06Å; R28-L31 VanDerWaalsContact O-N 3.09Å; R28-V32 WeakPolarHBondContact O-CG2 3.34Å; R28-V32 PolarHBondContact O-N 3.45Å; R28-V32 VanDerWaalsContact O-N 3.12Å; R28-R211 VanDerWaalsContact CD-O 3.29Å; R28-R211 WeakPolarHBondContact CD-O 3.4Å; R28-R211 PolarHBondContact NE-O 3.46Å; R28-R211 VanDerWaalsContact NE-O 3.09Å; R28-R211 PolarHBondContact NH1-O 3.17Å; R28-Y212 HydrophobicContact CB-CE1 4.05Å; R28-Y212 HydrophobicContact CB-CE2 3.93Å; R28-D214 IonicContact CZ-OD1 3.86Å; R28-D214 IonicContact CZ-OD2 2.83Å; R28-D214 VanDerWaalsContact NH1-CG 3.31Å; R28-D214 IonicContact NH1-OD1 3.69Å; R28-D214 PolarHBondContact NH1-OD1 3.46Å; R28-D214 IonicContact NH1-OD2 2.87Å; R28-D214 PolarHBondContact NH1-OD2 3.48Å; R28-D214 VanDerWaalsContact NH1-OD2 3.08Å; R28-D214 IonicContact NH2-OD1 2.76Å; R28-D214 PolarHBondContact NH2-OD1 3.32Å; R28-D214 IonicContact NH2-OD2 2.66Å; R28-D214 PolarHBondContact NH2-OD2 3.03Å |
| 29 | Q | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.7 | -42.3 | 176.8 | -178.7 | -84.1 | -7.9 | 0 | 0 | 110.5 | V25 I26 V32 A33 F134 M137 L141 Y212 | V25-Q29 PolarHBondContact O-N 2.89Å; I26-Q29 PolarHBondContact O-N 3.08Å; Q29-V32 PolarHBondContact O-N 3.3Å; Q29-A33 WeakPolarHBondContact O-CB 3.46Å; Q29-A33 PolarHBondContact O-N 3.48Å; Q29-F134 HydrophobicContact CG-CD1 4.25Å; Q29-F134 PolarHBondContact NE2-O 3.37Å; Q29-M137 HydrophobicContact CG-SD 3.95Å; Q29-L141 HydrophobicContact CB-CD1 4.22Å; Q29-L141 HydrophobicContact CG-CD1 4.34Å; Q29-Y212 WeakPolarHBondContact CA-OH 3.42Å; Q29-Y212 WeakPolarHBondContact CB-OH 3.23Å; Q29-Y212 PolarHBondContact N-OH 2.88Å |
| 30 | H | 84.6 | Confident | 88.8 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.7 | -179 | 70.7 | 0 | 0 | 0 | 114 | I26 H27 R28 V32 A33 K34 G78 F81 | I26-H30 WeakPolarHBondContact O-CB 3.43Å; I26-H30 PolarHBondContact O-N 3.19Å; H27-H30 WeakPolarHBondContact O-CB 3.46Å; H27-H30 PolarHBondContact O-N 2.66Å; R28-H30 PolarHBondContact O-N 3.28Å; H30-V32 VanDerWaalsContact C-N 3.33Å; H30-A33 PolarHBondContact O-N 2.86Å; H30-K34 WeakPolarHBondContact NE2-CE 3.42Å; H30-K34 PolarHBondContact NE2-NZ 2.83Å; H30-K34 WeakPolarHBondContact O-CG 3.34Å; H30-K34 PolarHBondContact O-N 3.39Å; H30-G78 WeakPolarHBondContact CE1-CA 3.18Å; H30-G78 PolarHBondContact CE1-O 2.96Å; H30-G78 PolarHBondContact NE2-O 3.26Å; H30-F81 HydrophobicContact CB-CB 4.34Å; H30-F81 WeakPolarHBondContact ND1-CB 3.47Å; H30-F81 AromaticContact ND1-CD2 3.5Å; H30-F81 WeakPolarHBondContact ND1-CD2 3.37Å; H30-F81 AromaticContact ND1-CG 3.82Å |
| 31 | L | 89 | Confident | 89.5 | Confident | 62 Ų | 62 | 50 Ų | 50 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.2 | -69.7 | 174.3 | 0 | 0 | 0 | 111.1 | H27 R28 K34 | H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 3.12Å; H27-L31 VanDerWaalsContact O-N 3.1Å; R28-L31 PolarHBondContact O-N 3.06Å; R28-L31 VanDerWaalsContact O-N 3.09Å; L31-K34 PolarHBondContact O-N 3.26Å |
| 32 | V | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | R28 Q29 H30 K34 R35 F134 L204 D207 M208 R211 | R28-V32 WeakPolarHBondContact O-CG2 3.34Å; R28-V32 PolarHBondContact O-N 3.45Å; R28-V32 VanDerWaalsContact O-N 3.12Å; Q29-V32 PolarHBondContact O-N 3.3Å; H30-V32 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 3.26Å; V32-R35 VanDerWaalsContact O-CB 3.25Å; V32-R35 WeakPolarHBondContact O-CB 3.33Å; V32-R35 PolarHBondContact O-N 3.43Å; V32-F134 HydrophobicContact CB-CE1 4.07Å; V32-F134 HydrophobicContact CG1-CE1 3.75Å; V32-F134 HydrophobicContact CG1-CZ 3.74Å; V32-L204 HydrophobicContact CG1-CD2 3.78Å; V32-L204 WeakPolarHBondContact O-CD2 3.32Å; V32-D207 WeakPolarHBondContact CA-OD2 3.14Å; V32-D207 WeakPolarHBondContact CG2-OD2 3.42Å; V32-M208 HydrophobicContact CB-CG 4.43Å; V32-M208 HydrophobicContact CB-SD 3.88Å; V32-M208 HydrophobicContact CG1-CG 3.64Å; V32-M208 HydrophobicContact CG1-SD 3.66Å; V32-M208 HydrophobicContact CG2-CG 4.17Å; V32-M208 HydrophobicContact CG2-SD 3.57Å; V32-M208 VanDerWaalsContact CG2-SD 3.57Å; V32-R211 VanDerWaalsContact CG2-CD 3.45Å |
| 33 | A | 89.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.8 | -26.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q29 H30 F81 Y130 Y131 F134 | Q29-A33 WeakPolarHBondContact O-CB 3.46Å; Q29-A33 PolarHBondContact O-N 3.48Å; H30-A33 PolarHBondContact O-N 2.86Å; A33-F81 HydrophobicContact CB-CD2 4.34Å; A33-F81 HydrophobicContact CB-CE2 3.88Å; A33-F81 HydrophobicContact CB-CZ 4.05Å; A33-Y130 VanDerWaalsContact C-OH 3.27Å; A33-Y130 WeakPolarHBondContact CA-OH 3.44Å; A33-Y130 PolarHBondContact O-OH 2.96Å; A33-Y131 HydrophobicContact CB-CE1 4.38Å; A33-Y131 VanDerWaalsContact O-CE1 3.25Å; A33-Y131 WeakPolarHBondContact O-CE1 3.48Å; A33-Y131 PolarHBondContact O-OH 2.86Å; A33-Y131 VanDerWaalsContact O-OH 3.12Å; A33-F134 HydrophobicContact CB-CD1 3.56Å; A33-F134 HydrophobicContact CB-CE1 4.03Å; A33-F134 HydrophobicContact CB-CG 4.15Å |
| 34 | K | 87.8 | Confident | 90.8 | Very high | 89 Ų | 89 | 49.6 Ų | 49.6 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15 | 177.1 | -76.1 | -174.8 | 171.8 | -169 | 0 | 114.2 | H30 L31 V32 L36 T77 G78 | H30-K34 WeakPolarHBondContact NE2-CE 3.42Å; H30-K34 PolarHBondContact NE2-NZ 2.83Å; H30-K34 WeakPolarHBondContact O-CG 3.34Å; H30-K34 PolarHBondContact O-N 3.39Å; L31-K34 PolarHBondContact O-N 3.26Å; V32-K34 PolarHBondContact O-N 3.26Å; K34-L36 PolarHBondContact O-N 3.04Å; K34-L36 VanDerWaalsContact O-N 3.13Å; K34-T77 WeakPolarHBondContact CE-O 3.42Å; K34-T77 PolarHBondContact NZ-O 3.44Å; K34-T77 VanDerWaalsContact NZ-O 3.11Å; K34-G78 WeakPolarHBondContact CE-O 3.43Å; K34-G78 PolarHBondContact NZ-O 3.4Å |
| 35 | R | 91 | Very high | 90.9 | Very high | 90 Ų | 90 | 49.4 Ų | 49.4 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | trans | -72 | 109.3 | -178.6 | -159.4 | 177.4 | 171.6 | 149.9 | -8.8 | 107.4 | V32 H200 M203 L204 D207 | V32-R35 VanDerWaalsContact O-CB 3.25Å; V32-R35 WeakPolarHBondContact O-CB 3.33Å; V32-R35 PolarHBondContact O-N 3.43Å; R35-H200 PolarHBondContact O-NE2 3.3Å; R35-M203 HydrophobicContact CB-CE 4.17Å; R35-M203 HydrophobicContact CG-CE 3.58Å; R35-M203 HydrophobicContact CG-SD 3.92Å; R35-M203 VanDerWaalsContact NE-CG 3.27Å; R35-M203 PolarHBondContact NE-SD 3.34Å; R35-M203 VanDerWaalsContact NE-SD 3.37Å; R35-L204 HydrophobicContact CB-CD2 4.26Å; R35-D207 IonicContact CZ-OD1 2.94Å; R35-D207 VanDerWaalsContact NH1-CG 3.25Å; R35-D207 IonicContact NH1-OD1 3.28Å; R35-D207 PolarHBondContact NH1-OD1 3.42Å | ||
| 36 | L | 91.9 | Very high | 91 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | trans | -122.3 | 147.2 | 179.6 | -66.8 | 178.6 | 0 | 0 | 0 | 109 | K34 L40 H41 L44 M127 Y130 | K34-L36 PolarHBondContact O-N 3.04Å; K34-L36 VanDerWaalsContact O-N 3.13Å; L36-L40 HydrophobicContact CB-CB 4.15Å; L36-L40 HydrophobicContact CD2-CB 4.16Å; L36-L40 HydrophobicContact CD2-CD1 4.22Å; L36-H41 HydrophobicContact CB-CB 4.41Å; L36-L44 HydrophobicContact CD1-CB 4.49Å; L36-L44 HydrophobicContact CD1-CD2 3.62Å; L36-M127 HydrophobicContact CD1-SD 4.49Å; L36-Y130 HydrophobicContact CD2-CE1 4.46Å | ||
| 37 | S | 94.9 | Very high | 90.9 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -68.1 | 160.8 | 166.6 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | R39 L40 H41 | S37-R39 PolarHBondContact O-N 3.45Å; S37-L40 PolarHBondContact O-N 3.17Å; S37-L40 VanDerWaalsContact O-N 3.11Å; S37-L40 WeakPolarHBondContact OG-CG 3.29Å; S37-L40 PolarHBondContact OG-N 3.44Å; S37-H41 WeakPolarHBondContact O-CB 3.38Å; S37-H41 PolarHBondContact O-N 3.44Å | ||
| 38 | D | 95.3 | Very high | 90.7 | Very high | 142 Ų | 142 | 46.5 Ų | 46.5 | 76% | 0.759 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56.2 | -37.5 | 179.1 | -69.4 | -23.2 | 0 | 0 | 0 | 112.6 | R42 | D38-R42 WeakPolarHBondContact O-CB 3.44Å; D38-R42 PolarHBondContact O-N 2.81Å |
| 39 | R | 95.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.8 | -55.6 | 174.4 | 175.3 | -179.5 | 179.9 | 138.3 | 5.6 | 111.2 | S37 H41 R42 S43 D123 D192 S196 | S37-R39 PolarHBondContact O-N 3.45Å; R39-H41 VanDerWaalsContact C-N 3.29Å; R39-H41 PolarHBondContact O-N 3.32Å; R39-R42 PolarHBondContact O-N 2.87Å; R39-S43 PolarHBondContact O-N 3.17Å; R39-S43 PolarHBondContact O-OG 3.45Å; R39-D123 WeakPolarHBondContact CG-OD2 3.45Å; R39-D123 IonicContact CZ-OD1 3.82Å; R39-D123 IonicContact NE-OD1 3.1Å; R39-D123 PolarHBondContact NE-OD1 2.89Å; R39-D123 IonicContact NE-OD2 2.77Å; R39-D123 PolarHBondContact NE-OD2 2.88Å; R39-D123 IonicContact NH2-OD1 2.81Å; R39-D123 PolarHBondContact NH2-OD1 3.49Å; R39-D123 VanDerWaalsContact NH2-OD1 3.11Å; R39-D192 IonicContact NH1-OD2 2.86Å; R39-D192 PolarHBondContact NH1-OD2 3.29Å; R39-D192 VanDerWaalsContact NH1-OD2 3.1Å; R39-S196 WeakPolarHBondContact CD-OG 3.34Å |
| 40 | L | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | -179 | -66.6 | 178.7 | 0 | 0 | 0 | 111.3 | L36 S37 S43 L44 D123 Y126 M127 F197 H200 | L36-L40 HydrophobicContact CB-CB 4.15Å; L36-L40 HydrophobicContact CD2-CB 4.16Å; L36-L40 HydrophobicContact CD2-CD1 4.22Å; S37-L40 PolarHBondContact O-N 3.17Å; S37-L40 VanDerWaalsContact O-N 3.11Å; S37-L40 WeakPolarHBondContact OG-CG 3.29Å; S37-L40 PolarHBondContact OG-N 3.44Å; L40-S43 PolarHBondContact O-N 3Å; L40-L44 VanDerWaalsContact O-CB 3.24Å; L40-L44 WeakPolarHBondContact O-CB 3.47Å; L40-L44 PolarHBondContact O-N 3.45Å; L40-D123 HydrophobicContact CD2-CB 3.88Å; L40-Y126 HydrophobicContact CD1-CD1 3.94Å; L40-Y126 HydrophobicContact CD1-CE1 3.61Å; L40-Y126 HydrophobicContact CD2-CD1 3.85Å; L40-Y126 HydrophobicContact CD2-CE1 4.38Å; L40-M127 HydrophobicContact CB-SD 4.33Å; L40-M127 HydrophobicContact CD2-CG 4.16Å; L40-F197 HydrophobicContact CD2-CD1 4.36Å; L40-F197 HydrophobicContact CD2-CE1 3.92Å; L40-H200 HydrophobicContact CD1-CB 4.23Å |
| 41 | H | 92.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 175 | -169.3 | 80.1 | 0 | 0 | 0 | 111.7 | L36 S37 R39 L44 Q45 | L36-H41 HydrophobicContact CB-CB 4.41Å; S37-H41 WeakPolarHBondContact O-CB 3.38Å; S37-H41 PolarHBondContact O-N 3.44Å; R39-H41 VanDerWaalsContact C-N 3.29Å; R39-H41 PolarHBondContact O-N 3.32Å; H41-L44 WeakPolarHBondContact O-CB 3.29Å; H41-L44 PolarHBondContact O-N 3.14Å; H41-Q45 PolarHBondContact NE2-NE2 3.37Å; H41-Q45 VanDerWaalsContact NE2-NE2 3.12Å; H41-Q45 WeakPolarHBondContact O-CG 3.33Å; H41-Q45 PolarHBondContact O-N 3.01Å |
| 42 | R | 94.7 | Very high | 89.7 | Confident | 160 Ų | 160 | 49 Ų | 49 | 60% | 0.604 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.9 | -46.7 | 176.9 | -172.3 | -180 | -64.7 | 176.6 | -0.1 | 111.8 | D38 R39 L44 Q45 Y46 | D38-R42 WeakPolarHBondContact O-CB 3.44Å; D38-R42 PolarHBondContact O-N 2.81Å; R39-R42 PolarHBondContact O-N 2.87Å; R42-L44 VanDerWaalsContact C-N 3.26Å; R42-L44 PolarHBondContact O-N 2.8Å; R42-Q45 WeakPolarHBondContact O-CB 3.23Å; R42-Q45 PolarHBondContact O-N 3.12Å; R42-Y46 HydrophobicContact CG-CE2 3.88Å; R42-Y46 PolarHBondContact O-N 3.3Å |
| 43 | S | 93 | Very high | 89.4 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 175.6 | -73.2 | 0 | 0 | 0 | 0 | 112 | R39 L40 Q45 Y46 V47 S120 D123 | R39-S43 PolarHBondContact O-N 3.17Å; R39-S43 PolarHBondContact O-OG 3.45Å; L40-S43 PolarHBondContact O-N 3Å; S43-Q45 PolarHBondContact O-N 3.06Å; S43-Y46 PolarHBondContact O-N 3.01Å; S43-V47 PolarHBondContact O-N 3.35Å; S43-S120 WeakPolarHBondContact OG-CB 3.39Å; S43-D123 WeakPolarHBondContact CB-OD2 3.37Å; S43-D123 PolarHBondContact OG-OD2 3.13Å |
| 44 | L | 88.1 | Confident | 88.9 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 171.8 | 169.4 | 59.2 | 0 | 0 | 0 | 112.3 | L36 L40 H41 R42 Y46 V47 I48 L76 M127 | L36-L44 HydrophobicContact CD1-CB 4.49Å; L36-L44 HydrophobicContact CD1-CD2 3.62Å; L40-L44 VanDerWaalsContact O-CB 3.24Å; L40-L44 WeakPolarHBondContact O-CB 3.47Å; L40-L44 PolarHBondContact O-N 3.45Å; H41-L44 WeakPolarHBondContact O-CB 3.29Å; H41-L44 PolarHBondContact O-N 3.14Å; R42-L44 VanDerWaalsContact C-N 3.26Å; R42-L44 PolarHBondContact O-N 2.8Å; L44-Y46 VanDerWaalsContact C-N 3.32Å; L44-Y46 PolarHBondContact O-N 2.93Å; L44-V47 WeakPolarHBondContact O-CB 2.84Å; L44-V47 PolarHBondContact O-N 3.16Å; L44-I48 HydrophobicContact CD1-CD1 3.78Å; L44-I48 HydrophobicContact CD1-CG1 3.9Å; L44-I48 HydrophobicContact CD2-CD1 4.47Å; L44-I48 HydrophobicContact CG-CD1 3.84Å; L44-I48 HydrophobicContact CG-CG1 4.38Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.13Å; L44-L76 HydrophobicContact CD1-CB 3.24Å; L44-L76 HydrophobicContact CD1-CD1 3.16Å; L44-L76 HydrophobicContact CD1-CD2 4.16Å; L44-L76 HydrophobicContact CD1-CG 3.63Å; L44-L76 HydrophobicContact CD2-CB 4Å; L44-L76 HydrophobicContact CG-CB 4.28Å; L44-M127 HydrophobicContact CB-CE 4.36Å; L44-M127 HydrophobicContact CB-SD 4.16Å |
| 45 | Q | 90.4 | Very high | 88.2 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -41.7 | 178.5 | -66.9 | -59.3 | -27 | 0 | 0 | 111.9 | H41 R42 S43 V47 I48 I49 | H41-Q45 PolarHBondContact NE2-NE2 3.37Å; H41-Q45 VanDerWaalsContact NE2-NE2 3.12Å; H41-Q45 WeakPolarHBondContact O-CG 3.33Å; H41-Q45 PolarHBondContact O-N 3.01Å; R42-Q45 WeakPolarHBondContact O-CB 3.23Å; R42-Q45 PolarHBondContact O-N 3.12Å; S43-Q45 PolarHBondContact O-N 3.06Å; Q45-V47 PolarHBondContact O-N 3.16Å; Q45-I48 PolarHBondContact O-N 2.79Å; Q45-I49 VanDerWaalsContact O-CG1 3.25Å; Q45-I49 WeakPolarHBondContact O-CG1 3.12Å; Q45-I49 PolarHBondContact O-N 3.44Å |
| 46 | Y | 91.5 | Very high | 87.6 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.8 | -60 | -39.7 | 0 | 0 | 0 | 112.2 | R42 S43 L44 I48 I49 A50 L113 N116 | R42-Y46 HydrophobicContact CG-CE2 3.88Å; R42-Y46 PolarHBondContact O-N 3.3Å; S43-Y46 PolarHBondContact O-N 3.01Å; L44-Y46 VanDerWaalsContact C-N 3.32Å; L44-Y46 PolarHBondContact O-N 2.93Å; Y46-I48 VanDerWaalsContact C-N 3.34Å; Y46-I48 PolarHBondContact O-N 2.8Å; Y46-I49 PolarHBondContact O-N 3.06Å; Y46-A50 WeakPolarHBondContact O-CB 3.32Å; Y46-A50 PolarHBondContact O-N 3.16Å; Y46-L113 HydrophobicContact CD1-CD1 4.34Å; Y46-N116 HydrophobicContact CD1-CB 3.9Å; Y46-N116 HydrophobicContact CD2-CB 3.88Å; Y46-N116 HydrophobicContact CE1-CB 3.9Å; Y46-N116 HydrophobicContact CE2-CB 3.86Å; Y46-N116 HydrophobicContact CG-CB 3.9Å |
| 47 | V | 85.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 174.6 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | S43 L44 Q45 I49 A50 V51 L76 F95 T124 | S43-V47 PolarHBondContact O-N 3.35Å; L44-V47 WeakPolarHBondContact O-CB 2.84Å; L44-V47 PolarHBondContact O-N 3.16Å; Q45-V47 PolarHBondContact O-N 3.16Å; V47-I49 PolarHBondContact O-N 2.82Å; V47-A50 PolarHBondContact O-N 3.1Å; V47-V51 HydrophobicContact CG1-CG2 4.4Å; V47-V51 WeakPolarHBondContact O-CB 3.22Å; V47-V51 VanDerWaalsContact O-CG2 3.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.4Å; V47-V51 PolarHBondContact O-N 2.87Å; V47-L76 HydrophobicContact CG1-CD1 4.2Å; V47-F95 HydrophobicContact CB-CZ 4.31Å; V47-F95 HydrophobicContact CG1-CE1 3.73Å; V47-F95 HydrophobicContact CG1-CE2 4.02Å; V47-F95 HydrophobicContact CG1-CZ 3.31Å; V47-F95 HydrophobicContact CG2-CE1 4.17Å; V47-F95 HydrophobicContact CG2-CZ 4.18Å; V47-T124 HydrophobicContact CG2-CG2 4.2Å |
| 48 | I | 82.6 | Confident | 84.8 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 179.9 | -68 | 173.7 | 0 | 0 | 0 | 111.3 | L44 Q45 Y46 A50 V51 N52 T73 T77 | L44-I48 HydrophobicContact CD1-CD1 3.78Å; L44-I48 HydrophobicContact CD1-CG1 3.9Å; L44-I48 HydrophobicContact CD2-CD1 4.47Å; L44-I48 HydrophobicContact CG-CD1 3.84Å; L44-I48 HydrophobicContact CG-CG1 4.38Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.13Å; Q45-I48 PolarHBondContact O-N 2.79Å; Y46-I48 VanDerWaalsContact C-N 3.34Å; Y46-I48 PolarHBondContact O-N 2.8Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.28Å; I48-V51 PolarHBondContact O-N 2.82Å; I48-N52 WeakPolarHBondContact O-CB 3.48Å; I48-N52 VanDerWaalsContact O-CG 3.28Å; I48-N52 PolarHBondContact O-N 3.3Å; I48-N52 PolarHBondContact O-ND2 3.05Å; I48-T73 HydrophobicContact CG1-CG2 4.08Å; I48-T73 HydrophobicContact CG2-CG2 4.3Å; I48-T77 HydrophobicContact CD1-CG2 3.94Å |
| 49 | I | 88.5 | Confident | 82.9 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.5 | -63.4 | 164.3 | 0 | 0 | 0 | 109.9 | Q45 Y46 V47 V51 N52 K53 L113 | Q45-I49 VanDerWaalsContact O-CG1 3.25Å; Q45-I49 WeakPolarHBondContact O-CG1 3.12Å; Q45-I49 PolarHBondContact O-N 3.44Å; Y46-I49 PolarHBondContact O-N 3.06Å; V47-I49 PolarHBondContact O-N 2.82Å; I49-V51 PolarHBondContact O-N 3.16Å; I49-N52 PolarHBondContact O-N 3.37Å; I49-K53 PolarHBondContact O-N 3.06Å; I49-L113 HydrophobicContact CB-CD1 4.16Å; I49-L113 HydrophobicContact CB-CD2 4.28Å; I49-L113 HydrophobicContact CG2-CD1 4.08Å; I49-L113 HydrophobicContact CG2-CD2 3.63Å |
| 50 | A | 86.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y46 V47 I48 N52 K53 I54 V102 L106 L113 V117 | Y46-A50 WeakPolarHBondContact O-CB 3.32Å; Y46-A50 PolarHBondContact O-N 3.16Å; V47-A50 PolarHBondContact O-N 3.1Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.28Å; A50-N52 VanDerWaalsContact C-N 3.33Å; A50-N52 PolarHBondContact O-N 3.27Å; A50-K53 PolarHBondContact O-N 3.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.39Å; A50-I54 PolarHBondContact O-N 3.24Å; A50-V102 HydrophobicContact CB-CG1 3.91Å; A50-L106 HydrophobicContact CB-CD1 3.82Å; A50-L106 HydrophobicContact CB-CD2 4.46Å; A50-L113 HydrophobicContact CB-CD2 4.16Å; A50-V117 HydrophobicContact CB-CG2 3.93Å |
| 51 | V | 78.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.5 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | V47 I48 I49 K53 I54 K55 A69 F95 | V47-V51 HydrophobicContact CG1-CG2 4.4Å; V47-V51 WeakPolarHBondContact O-CB 3.22Å; V47-V51 VanDerWaalsContact O-CG2 3.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.4Å; V47-V51 PolarHBondContact O-N 2.87Å; I48-V51 PolarHBondContact O-N 2.82Å; I49-V51 PolarHBondContact O-N 3.16Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-I54 PolarHBondContact O-N 3.33Å; V51-K55 WeakPolarHBondContact O-CB 3.46Å; V51-K55 PolarHBondContact O-N 2.77Å; V51-A69 HydrophobicContact CB-CB 4.12Å; V51-A69 HydrophobicContact CG1-CB 3.58Å; V51-A69 HydrophobicContact CG2-CB 3.49Å; V51-A69 VanDerWaalsContact CG2-CB 3.49Å; V51-F95 HydrophobicContact CG2-CE2 3.78Å; V51-F95 HydrophobicContact CG2-CZ 4.44Å |
| 52 | N | 81.2 | Confident | 77.1 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.7 | -74.5 | -27.2 | 0 | 0 | 0 | 111.8 | I48 I49 A50 K55 S56 | I48-N52 WeakPolarHBondContact O-CB 3.48Å; I48-N52 VanDerWaalsContact O-CG 3.28Å; I48-N52 PolarHBondContact O-N 3.3Å; I48-N52 PolarHBondContact O-ND2 3.05Å; I49-N52 PolarHBondContact O-N 3.37Å; A50-N52 VanDerWaalsContact C-N 3.33Å; A50-N52 PolarHBondContact O-N 3.27Å; N52-K55 WeakPolarHBondContact O-CB 3.5Å; N52-K55 PolarHBondContact O-N 3.35Å; N52-S56 PolarHBondContact O-N 2.78Å; N52-S56 PolarHBondContact O-OG 2.83Å |
| 53 | K | 85.5 | Confident | 75.4 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 173.7 | -81.8 | -167.8 | -177.6 | -121.8 | 0 | 112.5 | I49 A50 V51 K55 S56 S57 L106 D110 L113 | I49-K53 PolarHBondContact O-N 3.06Å; A50-K53 PolarHBondContact O-N 3.29Å; V51-K53 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 3.24Å; K53-S56 WeakPolarHBondContact CA-OG 3.29Å; K53-S56 PolarHBondContact O-N 3.08Å; K53-S56 VanDerWaalsContact O-N 3.12Å; K53-S56 PolarHBondContact O-OG 3.23Å; K53-S57 PolarHBondContact O-N 2.85Å; K53-L106 HydrophobicContact CD-CD2 4.44Å; K53-D110 HydrophobicContact CD-CB 4.14Å; K53-D110 WeakPolarHBondContact CE-OD2 3.35Å; K53-D110 IonicContact NZ-OD2 3.4Å; K53-D110 PolarHBondContact NZ-OD2 3.2Å; K53-L113 HydrophobicContact CD-CD2 3.79Å |
| 54 | I | 78.3 | Confident | 73.7 | Confident | 16 Ų | 16 | 74 Ų | 74 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 175.4 | -60.4 | 161.9 | 0 | 0 | 0 | 110.2 | A50 V51 S57 V66 V102 F105 | A50-I54 WeakPolarHBondContact O-CG1 3.39Å; A50-I54 PolarHBondContact O-N 3.24Å; V51-I54 PolarHBondContact O-N 3.33Å; I54-S57 PolarHBondContact O-N 3.13Å; I54-S57 PolarHBondContact O-OG 2.58Å; I54-V66 HydrophobicContact CG2-CG2 3.53Å; I54-V102 HydrophobicContact CD1-CB 4.3Å; I54-V102 HydrophobicContact CD1-CG1 4.03Å; I54-V102 HydrophobicContact CD1-CG2 3.8Å; I54-F105 HydrophobicContact CB-CE1 4.18Å; I54-F105 HydrophobicContact CB-CZ 4.48Å; I54-F105 HydrophobicContact CD1-CD1 4.27Å; I54-F105 HydrophobicContact CG1-CD1 3.4Å; I54-F105 HydrophobicContact CG1-CE1 3.44Å; I54-F105 VanDerWaalsContact CG1-CE1 3.44Å; I54-F105 HydrophobicContact CG1-CG 4.05Å; I54-F105 HydrophobicContact CG1-CZ 4.14Å |
| 55 | K | 73.8 | Confident | 72.1 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 50% | 0.504 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 177.1 | -176.1 | -168.2 | 169.1 | -164.3 | 0 | 112.2 | V51 N52 K53 V66 | V51-K55 WeakPolarHBondContact O-CB 3.46Å; V51-K55 PolarHBondContact O-N 2.77Å; N52-K55 WeakPolarHBondContact O-CB 3.5Å; N52-K55 PolarHBondContact O-N 3.35Å; K53-K55 PolarHBondContact O-N 3.24Å; K55-V66 HydrophobicContact CB-CG1 4.46Å |
| 56 | S | 78.8 | Confident | 70.7 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -78.4 | -18.5 | -179.1 | 55.1 | 0 | 0 | 0 | 0 | 114 | N52 K53 A58 | N52-S56 PolarHBondContact O-N 2.78Å; N52-S56 PolarHBondContact O-OG 2.83Å; K53-S56 WeakPolarHBondContact CA-OG 3.29Å; K53-S56 PolarHBondContact O-N 3.08Å; K53-S56 VanDerWaalsContact O-N 3.12Å; K53-S56 PolarHBondContact O-OG 3.23Å; S56-A58 PolarHBondContact O-N 3.41Å |
| 57 | S | 74.4 | Confident | 69.4 | Low | 22 Ų | 22 | 71.9 Ų | 71.9 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -73.1 | 127.1 | 175.9 | 70.2 | 0 | 0 | 0 | 0 | 109.6 | K53 I54 L59 F105 | K53-S57 PolarHBondContact O-N 2.85Å; I54-S57 PolarHBondContact O-N 3.13Å; I54-S57 PolarHBondContact O-OG 2.58Å; S57-L59 PolarHBondContact O-N 3.14Å; S57-F105 WeakPolarHBondContact OG-CZ 3.33Å |
| 58 | A | 53.3 | Low | 68.3 | Low | 110 Ų | 110 | 73.9 Ų | 73.9 | 91% | 0.909 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -4.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S56 | S56-A58 PolarHBondContact O-N 3.41Š|
| 59 | L | 55 | Low | 67.1 | Low | 155 Ų | 155 | 73.1 Ų | 73.1 | 81% | 0.812 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -13.9 | -167.2 | -79.1 | 165.6 | 0 | 0 | 0 | 115.4 | S57 | S57-L59 PolarHBondContact O-N 3.14Š|
| 60 | R | 56.6 | Low | 65.9 | Low | 135 Ų | 135 | 72.8 Ų | 72.8 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | trans | -149.1 | 45 | -162 | -72.2 | -172.8 | 179.7 | -140.6 | 6 | 117.3 | R62 D63 V66 | R60-R62 PolarHBondContact O-N 3.4Å; R60-D63 HydrophobicContact CB-CB 3.71Å; R60-D63 VanDerWaalsContact CD-OD2 3.29Å; R60-D63 WeakPolarHBondContact CD-OD2 3.41Å; R60-D63 HydrophobicContact CG-CB 4.03Å; R60-D63 IonicContact CZ-OD2 2.66Å; R60-D63 IonicContact NE-OD2 2.73Å; R60-D63 IonicContact NH1-OD2 3.94Å; R60-D63 PolarHBondContact NH1-OD2 3.32Å; R60-D63 PolarHBondContact O-N 3.11Å; R60-V66 WeakPolarHBondContact O-CG2 3.38Å | ||
| 61 | E | 49.4 | Very low | 64.8 | Low | 164 Ų | 164 | 75.9 Ų | 75.9 | 77% | 0.766 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27 | 168.9 | -85.4 | -158.8 | 143.4 | 0 | 0 | 113.7 | ||
| 62 | R | 53.2 | Low | 63.9 | Low | 244 Ų | 244 | 75.9 Ų | 75.9 | 92% | 0.921 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.8 | 178.7 | -79.8 | -173.7 | 176.9 | 169.5 | 0.1 | 114.9 | R60 C64 | R60-R62 PolarHBondContact O-N 3.4Å; R62-C64 PolarHBondContact O-N 3.35Å |
| 63 | D | 60.3 | Low | 63 | Low | 45 Ų | 45 | 73 Ų | 73 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | trans | -76.1 | 128.6 | -177.1 | -159.9 | -1.4 | 0 | 0 | 0 | 110.5 | R60 S65 V66 | R60-D63 HydrophobicContact CB-CB 3.71Å; R60-D63 VanDerWaalsContact CD-OD2 3.29Å; R60-D63 WeakPolarHBondContact CD-OD2 3.41Å; R60-D63 HydrophobicContact CG-CB 4.03Å; R60-D63 IonicContact CZ-OD2 2.66Å; R60-D63 IonicContact NE-OD2 2.73Å; R60-D63 IonicContact NH1-OD2 3.94Å; R60-D63 PolarHBondContact NH1-OD2 3.32Å; R60-D63 PolarHBondContact O-N 3.11Å; D63-S65 PolarHBondContact O-N 3.07Å; D63-S65 VanDerWaalsContact O-N 3.08Å; D63-S65 PolarHBondContact OD1-OG 2.95Å; D63-S65 PolarHBondContact OD2-OG 2.88Å; D63-V66 PolarHBondContact O-N 2.95Å | ||
| 64 | C | 57.4 | Low | 62.1 | Low | 67 Ų | 67 | 75.3 Ų | 75.3 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57 | -30.6 | -175.3 | -150.8 | 0 | 0 | 0 | 0 | 110.6 | R62 N67 Y68 | R62-C64 PolarHBondContact O-N 3.35Å; C64-N67 PolarHBondContact O-N 3.17Å; C64-Y68 HydrophobicContact CB-CE2 4.2Å; C64-Y68 WeakPolarHBondContact O-CD2 3.26Å; C64-Y68 PolarHBondContact O-N 2.96Å; C64-Y68 WeakPolarHBondContact SG-CE2 3.05Å |
| 65 | S | 54.4 | Low | 61.3 | Low | 18 Ų | 18 | 74.9 Ų | 74.9 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 175 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | D63 N67 Y68 A69 L98 | D63-S65 PolarHBondContact O-N 3.07Å; D63-S65 VanDerWaalsContact O-N 3.08Å; D63-S65 PolarHBondContact OD1-OG 2.95Å; D63-S65 PolarHBondContact OD2-OG 2.88Å; S65-N67 VanDerWaalsContact C-N 3.28Å; S65-N67 PolarHBondContact O-N 2.83Å; S65-Y68 PolarHBondContact O-N 3.16Å; S65-A69 WeakPolarHBondContact O-CB 3.44Å; S65-A69 PolarHBondContact O-N 2.75Å; S65-L98 VanDerWaalsContact CA-CD1 3.43Å |
| 66 | V | 61.1 | Low | 60.5 | Low | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 176.7 | 179 | 0 | 0 | 0 | 0 | 111.2 | I54 K55 R60 D63 K70 | I54-V66 HydrophobicContact CG2-CG2 3.53Å; K55-V66 HydrophobicContact CB-CG1 4.46Å; R60-V66 WeakPolarHBondContact O-CG2 3.38Å; D63-V66 PolarHBondContact O-N 2.95Å; V66-K70 HydrophobicContact CG1-CD 4.24Å; V66-K70 HydrophobicContact CG1-CG 4.48Å; V66-K70 WeakPolarHBondContact O-CB 3.1Å; V66-K70 VanDerWaalsContact O-CG 3.26Å; V66-K70 WeakPolarHBondContact O-CG 3.1Å; V66-K70 PolarHBondContact O-N 3.32Å |
| 67 | N | 63.3 | Low | 59.7 | Low | 74 Ų | 74 | 68.3 Ų | 68.3 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.4 | -38.9 | 178.7 | -76.3 | -32.3 | 0 | 0 | 0 | 112.7 | C64 S65 K71 | C64-N67 PolarHBondContact O-N 3.17Å; S65-N67 VanDerWaalsContact C-N 3.28Å; S65-N67 PolarHBondContact O-N 2.83Å; N67-K71 WeakPolarHBondContact O-CG 3.15Å; N67-K71 PolarHBondContact O-N 3.12Å |
| 68 | Y | 61.4 | Low | 58.7 | Low | 44 Ų | 44 | 67.5 Ų | 67.5 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 173.2 | -67.9 | -57.1 | 0 | 0 | 0 | 112.1 | C64 S65 K71 M72 R94 L98 | C64-Y68 HydrophobicContact CB-CE2 4.2Å; C64-Y68 WeakPolarHBondContact O-CD2 3.26Å; C64-Y68 PolarHBondContact O-N 2.96Å; C64-Y68 WeakPolarHBondContact SG-CE2 3.05Å; S65-Y68 PolarHBondContact O-N 3.16Å; Y68-K71 PolarHBondContact O-N 3.03Å; Y68-M72 WeakPolarHBondContact O-CB 3.38Å; Y68-M72 PolarHBondContact O-N 2.99Å; Y68-R94 HydrophobicContact CD1-CB 3.82Å; Y68-R94 HydrophobicContact CD1-CG 4.38Å; Y68-R94 HydrophobicContact CD2-CB 4.23Å; Y68-R94 HydrophobicContact CE1-CB 4.21Å; Y68-R94 HydrophobicContact CE1-CG 4.29Å; Y68-R94 VanDerWaalsContact CE1-NH1 3.28Å; Y68-R94 HydrophobicContact CG-CB 3.87Å; Y68-R94 PolarHBondContact OH-NH1 3.21Å; Y68-L98 HydrophobicContact CD2-CD1 4.08Å |
| 69 | A | 58.2 | Low | 58.7 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -49.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V51 S65 K71 M72 T73 F95 | V51-A69 HydrophobicContact CB-CB 4.12Å; V51-A69 HydrophobicContact CG1-CB 3.58Å; V51-A69 HydrophobicContact CG2-CB 3.49Å; V51-A69 VanDerWaalsContact CG2-CB 3.49Å; S65-A69 WeakPolarHBondContact O-CB 3.44Å; S65-A69 PolarHBondContact O-N 2.75Å; A69-K71 VanDerWaalsContact C-N 3.33Å; A69-K71 PolarHBondContact O-N 3.46Å; A69-M72 CarbonylContact O-C 3.39Å; A69-M72 PolarHBondContact O-N 3.47Å; A69-T73 PolarHBondContact O-N 3.36Å; A69-T73 PolarHBondContact O-OG1 2.89Å; A69-F95 HydrophobicContact CB-CD2 4.19Å; A69-F95 HydrophobicContact CB-CE2 4.26Å |
| 70 | K | 63 | Low | 58.6 | Low | 68 Ų | 68 | 58.4 Ų | 58.4 | 30% | 0.296 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 173.5 | -79.2 | 170.9 | -178.7 | 169.1 | 0 | 112.2 | V66 T73 K74 | V66-K70 HydrophobicContact CG1-CD 4.24Å; V66-K70 HydrophobicContact CG1-CG 4.48Å; V66-K70 WeakPolarHBondContact O-CB 3.1Å; V66-K70 VanDerWaalsContact O-CG 3.26Å; V66-K70 WeakPolarHBondContact O-CG 3.1Å; V66-K70 PolarHBondContact O-N 3.32Å; K70-T73 PolarHBondContact O-N 3.48Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 2.99Å |
| 71 | K | 64 | Low | 58.4 | Low | 65 Ų | 65 | 52.4 Ų | 52.4 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 178.1 | -78 | 177.7 | 175.5 | 172.3 | 0 | 110.9 | N67 Y68 A69 K74 I75 G87 F88 A91 | N67-K71 WeakPolarHBondContact O-CG 3.15Å; N67-K71 PolarHBondContact O-N 3.12Å; Y68-K71 PolarHBondContact O-N 3.03Å; A69-K71 VanDerWaalsContact C-N 3.33Å; A69-K71 PolarHBondContact O-N 3.46Å; K71-K74 CarbonylContact O-C 3.48Å; K71-K74 WeakPolarHBondContact O-CA 3.43Å; K71-K74 WeakPolarHBondContact O-CB 3.36Å; K71-K74 PolarHBondContact O-N 2.82Å; K71-K74 VanDerWaalsContact O-N 3.11Å; K71-I75 WeakPolarHBondContact O-CG1 3.17Å; K71-I75 PolarHBondContact O-N 3.05Å; K71-G87 WeakPolarHBondContact CD-O 3.36Å; K71-G87 WeakPolarHBondContact CE-O 3.43Å; K71-G87 PolarHBondContact NZ-O 3.49Å; K71-F88 HydrophobicContact CB-CD2 3.76Å; K71-F88 HydrophobicContact CB-CE2 3.5Å; K71-F88 HydrophobicContact CB-CZ 4.43Å; K71-F88 HydrophobicContact CD-CD2 3.94Å; K71-F88 HydrophobicContact CD-CE2 4.43Å; K71-F88 HydrophobicContact CG-CD2 3.67Å; K71-F88 HydrophobicContact CG-CE2 3.66Å; K71-F88 VanDerWaalsContact O-CE2 3.3Å; K71-F88 WeakPolarHBondContact O-CE2 3.06Å; K71-F88 WeakPolarHBondContact O-CZ 3.32Å; K71-A91 HydrophobicContact CB-CB 3.72Å; K71-A91 HydrophobicContact CD-CB 4.39Å |
| 72 | M | 59.3 | Low | 58.4 | Low | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176 | 178.1 | 169.8 | -83.5 | 0 | 0 | 111 | Y68 A69 K74 I75 L76 P92 F95 | Y68-M72 WeakPolarHBondContact O-CB 3.38Å; Y68-M72 PolarHBondContact O-N 2.99Å; A69-M72 CarbonylContact O-C 3.39Å; A69-M72 PolarHBondContact O-N 3.47Å; M72-K74 PolarHBondContact O-N 3.46Å; M72-K74 VanDerWaalsContact O-N 3.14Å; M72-I75 CarbonylContact O-C 3.55Å; M72-I75 WeakPolarHBondContact O-CA 3.3Å; M72-I75 WeakPolarHBondContact O-CB 3.21Å; M72-I75 PolarHBondContact O-N 2.92Å; M72-L76 HydrophobicContact CG-CD1 3.32Å; M72-L76 HydrophobicContact CG-CD2 4.29Å; M72-L76 HydrophobicContact CG-CG 3.61Å; M72-L76 WeakPolarHBondContact O-CB 3.46Å; M72-L76 WeakPolarHBondContact O-CG 3.13Å; M72-L76 PolarHBondContact O-N 2.9Å; M72-L76 HydrophobicContact SD-CD1 3.71Å; M72-L76 HydrophobicContact SD-CG 4.38Å; M72-P92 HydrophobicContact CE-CB 4.12Å; M72-P92 WeakPolarHBondContact CE-O 3.29Å; M72-F95 HydrophobicContact CB-CB 4Å; M72-F95 HydrophobicContact CB-CD2 4.35Å; M72-F95 HydrophobicContact CB-CG 4.21Å; M72-F95 HydrophobicContact CE-CB 3.37Å; M72-F95 HydrophobicContact CE-CD1 3.84Å; M72-F95 HydrophobicContact CE-CG 3.86Å; M72-F95 HydrophobicContact CG-CB 4.24Å; M72-F95 HydrophobicContact CG-CG 4.22Å; M72-F95 HydrophobicContact SD-CB 3.31Å; M72-F95 WeakPolarHBondContact SD-CB 3.4Å; M72-F95 HydrophobicContact SD-CD1 3.02Å; M72-F95 WeakPolarHBondContact SD-CD1 3.41Å; M72-F95 HydrophobicContact SD-CD2 3.92Å; M72-F95 HydrophobicContact SD-CE1 3.75Å; M72-F95 HydrophobicContact SD-CG 3.11Å; M72-F95 WeakPolarHBondContact SD-CG 3.3Å; M72-F95 HydrophobicContact SD-CZ 4.47Å |
| 73 | T | 62.7 | Low | 58.4 | Low | 21 Ų | 21 | 41.9 Ų | 41.9 | 13% | 0.129 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53 | -39.2 | 172.5 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | I48 A69 K70 L76 T77 | I48-T73 HydrophobicContact CG1-CG2 4.08Å; I48-T73 HydrophobicContact CG2-CG2 4.3Å; A69-T73 PolarHBondContact O-N 3.36Å; A69-T73 PolarHBondContact O-OG1 2.89Å; K70-T73 PolarHBondContact O-N 3.48Å; T73-L76 PolarHBondContact O-N 3.12Å; T73-T77 HydrophobicContact CG2-CG2 4.1Å; T73-T77 VanDerWaalsContact O-CB 3.24Å; T73-T77 WeakPolarHBondContact O-CB 3.31Å; T73-T77 WeakPolarHBondContact O-CG2 3.49Å; T73-T77 PolarHBondContact O-N 3.36Å; T73-T77 PolarHBondContact O-OG1 3.37Å |
| 74 | K | 66.3 | Low | 58.1 | Low | 115 Ų | 115 | 46.1 Ų | 46.1 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.7 | -34.6 | 173.6 | -73.3 | -176.6 | 177.2 | -173.5 | 0 | 114.1 | K70 K71 M72 G78 S79 C80 F88 | K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 2.99Å; K71-K74 CarbonylContact O-C 3.48Å; K71-K74 WeakPolarHBondContact O-CA 3.43Å; K71-K74 WeakPolarHBondContact O-CB 3.36Å; K71-K74 PolarHBondContact O-N 2.82Å; K71-K74 VanDerWaalsContact O-N 3.11Å; M72-K74 PolarHBondContact O-N 3.46Å; M72-K74 VanDerWaalsContact O-N 3.14Å; K74-G78 WeakPolarHBondContact O-CA 3.19Å; K74-G78 PolarHBondContact O-N 3.07Å; K74-S79 VanDerWaalsContact CA-OG 3.3Å; K74-S79 WeakPolarHBondContact CA-OG 3.45Å; K74-S79 WeakPolarHBondContact CB-OG 3.46Å; K74-S79 WeakPolarHBondContact CG-OG 3.4Å; K74-S79 PolarHBondContact O-N 3.33Å; K74-S79 PolarHBondContact O-OG 3.01Å; K74-S79 VanDerWaalsContact O-OG 3.14Å; K74-C80 HydrophobicContact CB-CB 4.12Å; K74-F88 HydrophobicContact CB-CE2 4.16Å; K74-F88 HydrophobicContact CB-CZ 3.74Å |
| 75 | I | 60.6 | Low | 57.8 | Low | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -54.5 | 170.3 | -68 | 174.7 | 0 | 0 | 0 | 109.3 | K71 M72 T77 G78 F81 F88 A91 P92 Y131 | K71-I75 WeakPolarHBondContact O-CG1 3.17Å; K71-I75 PolarHBondContact O-N 3.05Å; M72-I75 CarbonylContact O-C 3.55Å; M72-I75 WeakPolarHBondContact O-CA 3.3Å; M72-I75 WeakPolarHBondContact O-CB 3.21Å; M72-I75 PolarHBondContact O-N 2.92Å; I75-T77 PolarHBondContact O-N 3.29Å; I75-G78 VanDerWaalsContact O-CA 3.24Å; I75-G78 WeakPolarHBondContact O-CA 3.42Å; I75-G78 PolarHBondContact O-N 2.96Å; I75-F81 HydrophobicContact CG2-CE2 4.06Å; I75-F81 HydrophobicContact CG2-CZ 4.2Å; I75-F88 HydrophobicContact CB-CE1 4.11Å; I75-F88 HydrophobicContact CB-CZ 4.36Å; I75-F88 HydrophobicContact CD1-CD1 3.79Å; I75-F88 HydrophobicContact CD1-CE1 3.68Å; I75-F88 HydrophobicContact CD1-CG 4.45Å; I75-F88 HydrophobicContact CD1-CZ 4.17Å; I75-F88 HydrophobicContact CG1-CD1 3.56Å; I75-F88 HydrophobicContact CG1-CE1 2.92Å; I75-F88 HydrophobicContact CG1-CE2 4.32Å; I75-F88 HydrophobicContact CG1-CG 4.48Å; I75-F88 HydrophobicContact CG1-CZ 3.34Å; I75-A91 HydrophobicContact CD1-CB 3.76Å; I75-P92 VanDerWaalsContact CD1-CD 3.49Å; I75-P92 HydrophobicContact CD1-CG 3.62Å; I75-Y131 HydrophobicContact CG2-CD1 3.68Å; I75-Y131 HydrophobicContact CG2-CD2 4.27Å; I75-Y131 HydrophobicContact CG2-CE1 4.16Å; I75-Y131 HydrophobicContact CG2-CG 3.71Å |
| 76 | L | 58 | Low | 57.6 | Low | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.6 | -35.7 | -170.5 | -59.8 | 175.2 | 0 | 0 | 0 | 112.1 | L44 V47 M72 T73 G78 Y131 | L44-L76 HydrophobicContact CD1-CB 3.24Å; L44-L76 HydrophobicContact CD1-CD1 3.16Å; L44-L76 HydrophobicContact CD1-CD2 4.16Å; L44-L76 HydrophobicContact CD1-CG 3.63Å; L44-L76 HydrophobicContact CD2-CB 4Å; L44-L76 HydrophobicContact CG-CB 4.28Å; V47-L76 HydrophobicContact CG1-CD1 4.2Å; M72-L76 HydrophobicContact CG-CD1 3.32Å; M72-L76 HydrophobicContact CG-CD2 4.29Å; M72-L76 HydrophobicContact CG-CG 3.61Å; M72-L76 WeakPolarHBondContact O-CB 3.46Å; M72-L76 WeakPolarHBondContact O-CG 3.13Å; M72-L76 PolarHBondContact O-N 2.9Å; M72-L76 HydrophobicContact SD-CD1 3.71Å; M72-L76 HydrophobicContact SD-CG 4.38Å; T73-L76 PolarHBondContact O-N 3.12Å; L76-G78 PolarHBondContact O-N 3.24Å; L76-Y131 HydrophobicContact CD2-CD2 3.34Å; L76-Y131 HydrophobicContact CD2-CE2 3.04Å; L76-Y131 HydrophobicContact CD2-CG 4.41Å; L76-Y131 HydrophobicContact CG-CE2 4.4Å |
| 77 | T | 61.4 | Low | 57.2 | Low | 63 Ų | 63 | 54.5 Ų | 54.5 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.1 | 170.4 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | K34 I48 T73 I75 S79 | K34-T77 WeakPolarHBondContact CE-O 3.42Å; K34-T77 PolarHBondContact NZ-O 3.44Å; K34-T77 VanDerWaalsContact NZ-O 3.11Å; I48-T77 HydrophobicContact CD1-CG2 3.94Å; T73-T77 HydrophobicContact CG2-CG2 4.1Å; T73-T77 VanDerWaalsContact O-CB 3.24Å; T73-T77 WeakPolarHBondContact O-CB 3.31Å; T73-T77 WeakPolarHBondContact O-CG2 3.49Å; T73-T77 PolarHBondContact O-N 3.36Å; T73-T77 PolarHBondContact O-OG1 3.37Å; I75-T77 PolarHBondContact O-N 3.29Å; T77-S79 PolarHBondContact OG1-OG 3.37Å |
| 78 | G | 53.6 | Low | 56.9 | Low | 5 Ų | 5 | 51.7 Ų | 51.7 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 65.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H30 K34 K74 I75 L76 | H30-G78 WeakPolarHBondContact CE1-CA 3.18Å; H30-G78 PolarHBondContact CE1-O 2.96Å; H30-G78 PolarHBondContact NE2-O 3.26Å; K34-G78 WeakPolarHBondContact CE-O 3.43Å; K34-G78 PolarHBondContact NZ-O 3.4Å; K74-G78 WeakPolarHBondContact O-CA 3.19Å; K74-G78 PolarHBondContact O-N 3.07Å; I75-G78 VanDerWaalsContact O-CA 3.24Å; I75-G78 WeakPolarHBondContact O-CA 3.42Å; I75-G78 PolarHBondContact O-N 2.96Å; L76-G78 PolarHBondContact O-N 3.24Å |
| 79 | S | 53.7 | Low | 56.8 | Low | 67 Ų | 67 | 53.1 Ų | 53.1 | 47% | 0.469 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -102.8 | 0.8 | 165.8 | 39 | 0 | 0 | 0 | 0 | 112.6 | K74 T77 | K74-S79 VanDerWaalsContact CA-OG 3.3Å; K74-S79 WeakPolarHBondContact CA-OG 3.45Å; K74-S79 WeakPolarHBondContact CB-OG 3.46Å; K74-S79 WeakPolarHBondContact CG-OG 3.4Å; K74-S79 PolarHBondContact O-N 3.33Å; K74-S79 PolarHBondContact O-OG 3.01Å; K74-S79 VanDerWaalsContact O-OG 3.14Å; T77-S79 PolarHBondContact OG1-OG 3.37Å |
| 80 | C | 53 | Low | 57.2 | Low | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | trans | -143.8 | 2.4 | -161.1 | -152.9 | 0 | 0 | 0 | 0 | 117.3 | K74 T82 Q83 F88 | K74-C80 HydrophobicContact CB-CB 4.12Å; C80-T82 PolarHBondContact O-N 3.36Å; C80-T82 VanDerWaalsContact O-N 3.15Å; C80-Q83 PolarHBondContact O-N 2.89Å; C80-Q83 VanDerWaalsContact O-N 3.14Å; C80-F88 HydrophobicContact CB-CD1 4.33Å; C80-F88 HydrophobicContact CB-CE1 3.34Å; C80-F88 HydrophobicContact CB-CE2 4.05Å; C80-F88 HydrophobicContact CB-CZ 3.21Å; C80-F88 VanDerWaalsContact SG-CE1 3.56Å; C80-F88 VanDerWaalsContact SG-CE2 3.54Å; C80-F88 WeakPolarHBondContact SG-CZ 3.3Å | ||
| 81 | F | 51.9 | Low | 57.3 | Low | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.8 | 171.6 | -84.8 | -82.7 | 0 | 0 | 0 | 113.5 | H30 A33 I75 Q83 Y131 F134 N138 Q142 | H30-F81 HydrophobicContact CB-CB 4.34Å; H30-F81 WeakPolarHBondContact ND1-CB 3.47Å; H30-F81 AromaticContact ND1-CD2 3.5Å; H30-F81 WeakPolarHBondContact ND1-CD2 3.37Å; H30-F81 AromaticContact ND1-CG 3.82Å; A33-F81 HydrophobicContact CB-CD2 4.34Å; A33-F81 HydrophobicContact CB-CE2 3.88Å; A33-F81 HydrophobicContact CB-CZ 4.05Å; I75-F81 HydrophobicContact CG2-CE2 4.06Å; I75-F81 HydrophobicContact CG2-CZ 4.2Å; F81-Q83 VanDerWaalsContact C-N 3.26Å; F81-Q83 PolarHBondContact O-N 3.15Å; F81-Y131 HydrophobicContact CE2-CD1 4.1Å; F81-Y131 HydrophobicContact CE2-CE1 4.17Å; F81-Y131 AromaticContact CZ-CD1 3.82Å; F81-Y131 HydrophobicContact CZ-CD1 3.82Å; F81-Y131 HydrophobicContact CZ-CE1 4.31Å; F81-F134 HydrophobicContact CE1-CB 4.04Å; F81-F134 HydrophobicContact CZ-CB 4.17Å; F81-N138 HydrophobicContact CD1-CB 4.27Å; F81-N138 PolarHBondContact O-ND2 3.43Å; F81-N138 PolarHBondContact O-OD1 3.03Å; F81-Q142 PolarHBondContact O-NE2 3.04Å; F81-Q142 VanDerWaalsContact O-NE2 3.07Å |
| 82 | T | 50 | Low | 57.5 | Low | 90 Ų | 90 | 47.8 Ų | 47.8 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.1 | 177.8 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | I26 C80 | I26-T82 HydrophobicContact CG2-CG2 4.4Å; C80-T82 PolarHBondContact O-N 3.36Å; C80-T82 VanDerWaalsContact O-N 3.15Å |
| 83 | Q | 52.6 | Low | 58.1 | Low | 97 Ų | 97 | 49.5 Ų | 49.5 | 45% | 0.453 | 28% | 0.275 | S | S | . | . | trans | -111.5 | 117 | -173.3 | -82.5 | -172.6 | 0.4 | 0 | 0 | 110.6 | C80 F81 Y85 | C80-Q83 PolarHBondContact O-N 2.89Å; C80-Q83 VanDerWaalsContact O-N 3.14Å; F81-Q83 VanDerWaalsContact C-N 3.26Å; F81-Q83 PolarHBondContact O-N 3.15Å; Q83-Y85 HydrophobicContact CB-CD2 3.76Å; Q83-Y85 HydrophobicContact CB-CE2 4.33Å; Q83-Y85 HydrophobicContact CG-CD2 4.37Å; Q83-Y85 HydrophobicContact CG-CE2 4.45Å; Q83-Y85 PolarHBondContact O-N 3.35Å | ||
| 84 | R | 55.1 | Low | 58.5 | Low | 135 Ų | 135 | 54.1 Ų | 54.1 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | trans | -70.1 | 50.4 | 177 | -155.3 | 178 | -155.3 | 171.9 | -3.8 | 112.1 | Q142 D144 | R84-Q142 VanDerWaalsContact CB-OE1 3.32Å; R84-Q142 PolarHBondContact NH1-O 3.16Å; R84-Q142 PolarHBondContact NH2-O 3.14Å; R84-D144 IonicContact CZ-OD1 2.68Å; R84-D144 VanDerWaalsContact CZ-OD1 3.27Å; R84-D144 IonicContact NH1-OD1 2.92Å; R84-D144 PolarHBondContact NH1-OD1 3.05Å; R84-D144 IonicContact NH2-OD1 2.63Å; R84-D144 PolarHBondContact NH2-OD1 2.86Å | ||
| 85 | Y | 49.4 | Very low | 58.6 | Low | 154 Ų | 154 | 48.8 Ų | 48.8 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | trans | -93.6 | 109 | -176.2 | -90.2 | -105.2 | 0 | 0 | 0 | 110.3 | Q83 G87 F88 | Q83-Y85 HydrophobicContact CB-CD2 3.76Å; Q83-Y85 HydrophobicContact CB-CE2 4.33Å; Q83-Y85 HydrophobicContact CG-CD2 4.37Å; Q83-Y85 HydrophobicContact CG-CE2 4.45Å; Q83-Y85 PolarHBondContact O-N 3.35Å; Y85-G87 PolarHBondContact O-N 3.03Å; Y85-G87 VanDerWaalsContact O-N 3.12Å; Y85-F88 WeakPolarHBondContact O-CB 3.13Å; Y85-F88 PolarHBondContact O-N 3.45Å | ||
| 86 | A | 50.7 | Low | 59.6 | Low | 74 Ų | 74 | 49.7 Ų | 49.7 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -51.4 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | F88 Q89 | A86-F88 PolarHBondContact O-N 2.94Å; A86-Q89 PolarHBondContact O-N 3.15Å |
| 87 | G | 52.8 | Low | 60.6 | Low | 34 Ų | 34 | 53.1 Ų | 53.1 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -4.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K71 Y85 | K71-G87 WeakPolarHBondContact CD-O 3.36Å; K71-G87 WeakPolarHBondContact CE-O 3.43Å; K71-G87 PolarHBondContact NZ-O 3.49Å; Y85-G87 PolarHBondContact O-N 3.03Å; Y85-G87 VanDerWaalsContact O-N 3.12Å |
| 88 | F | 57.2 | Low | 61.5 | Low | 15 Ų | 15 | 52 Ų | 52 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -101.7 | -25.5 | -177.4 | -142.3 | -113.7 | 0 | 0 | 0 | 112.6 | K71 K74 I75 C80 Y85 A86 G90 A91 | K71-F88 HydrophobicContact CB-CD2 3.76Å; K71-F88 HydrophobicContact CB-CE2 3.5Å; K71-F88 HydrophobicContact CB-CZ 4.43Å; K71-F88 HydrophobicContact CD-CD2 3.94Å; K71-F88 HydrophobicContact CD-CE2 4.43Å; K71-F88 HydrophobicContact CG-CD2 3.67Å; K71-F88 HydrophobicContact CG-CE2 3.66Å; K71-F88 VanDerWaalsContact O-CE2 3.3Å; K71-F88 WeakPolarHBondContact O-CE2 3.06Å; K71-F88 WeakPolarHBondContact O-CZ 3.32Å; K74-F88 HydrophobicContact CB-CE2 4.16Å; K74-F88 HydrophobicContact CB-CZ 3.74Å; I75-F88 HydrophobicContact CB-CE1 4.11Å; I75-F88 HydrophobicContact CB-CZ 4.36Å; I75-F88 HydrophobicContact CD1-CD1 3.79Å; I75-F88 HydrophobicContact CD1-CE1 3.68Å; I75-F88 HydrophobicContact CD1-CG 4.45Å; I75-F88 HydrophobicContact CD1-CZ 4.17Å; I75-F88 HydrophobicContact CG1-CD1 3.56Å; I75-F88 HydrophobicContact CG1-CE1 2.92Å; I75-F88 HydrophobicContact CG1-CE2 4.32Å; I75-F88 HydrophobicContact CG1-CG 4.48Å; I75-F88 HydrophobicContact CG1-CZ 3.34Å; C80-F88 HydrophobicContact CB-CD1 4.33Å; C80-F88 HydrophobicContact CB-CE1 3.34Å; C80-F88 HydrophobicContact CB-CE2 4.05Å; C80-F88 HydrophobicContact CB-CZ 3.21Å; C80-F88 VanDerWaalsContact SG-CE1 3.56Å; C80-F88 VanDerWaalsContact SG-CE2 3.54Å; C80-F88 WeakPolarHBondContact SG-CZ 3.3Å; Y85-F88 WeakPolarHBondContact O-CB 3.13Å; Y85-F88 PolarHBondContact O-N 3.45Å; A86-F88 PolarHBondContact O-N 2.94Å; F88-G90 PolarHBondContact O-N 2.94Å; F88-A91 VanDerWaalsContact O-CB 3.29Å; F88-A91 WeakPolarHBondContact O-CB 3.34Å; F88-A91 PolarHBondContact O-N 2.8Å |
| 89 | Q | 59.8 | Low | 63 | Low | 74 Ų | 74 | 51.8 Ų | 51.8 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -35.6 | -174.6 | -60.2 | 178.9 | -1 | 0 | 0 | 112.8 | A86 L132 N135 L139 | A86-Q89 PolarHBondContact O-N 3.15Å; Q89-L132 WeakPolarHBondContact O-CD1 3.46Å; Q89-N135 WeakPolarHBondContact CA-ND2 3.49Å; Q89-L139 HydrophobicContact CG-CD1 4.25Å; Q89-L139 HydrophobicContact CG-CD2 4.47Å; Q89-L139 VanDerWaalsContact NE2-CD2 3.28Å |
| 90 | G | 65.3 | Low | 64.6 | Low | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F88 P92 A93 R94 | F88-G90 PolarHBondContact O-N 2.94Å; G90-P92 VanDerWaalsContact C-CD 3.47Å; G90-P92 VanDerWaalsContact C-N 3.3Å; G90-A93 PolarHBondContact O-N 2.68Å; G90-R94 VanDerWaalsContact O-CB 3.24Å; G90-R94 WeakPolarHBondContact O-CB 3.49Å; G90-R94 WeakPolarHBondContact O-CG 3.5Å; G90-R94 PolarHBondContact O-N 3.45Å |
| 91 | A | 66.9 | Low | 66.1 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -34.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K71 I75 F88 F95 | K71-A91 HydrophobicContact CB-CB 3.72Å; K71-A91 HydrophobicContact CD-CB 4.39Å; I75-A91 HydrophobicContact CD1-CB 3.76Å; F88-A91 VanDerWaalsContact O-CB 3.29Å; F88-A91 WeakPolarHBondContact O-CB 3.34Å; F88-A91 PolarHBondContact O-N 2.8Å; A91-F95 WeakPolarHBondContact O-CB 3.44Å; A91-F95 PolarHBondContact O-N 3.12Å |
| 92 | P | 67.8 | Low | 67.6 | Low | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.1 | -64.8 | 171.7 | -28.5 | 38.3 | 0 | 0 | 0 | 113.5 | M72 I75 G90 R94 F95 Y96 S128 | M72-P92 HydrophobicContact CE-CB 4.12Å; M72-P92 WeakPolarHBondContact CE-O 3.29Å; I75-P92 VanDerWaalsContact CD1-CD 3.49Å; I75-P92 HydrophobicContact CD1-CG 3.62Å; G90-P92 VanDerWaalsContact C-CD 3.47Å; G90-P92 VanDerWaalsContact C-N 3.3Å; P92-R94 VanDerWaalsContact C-N 3.32Å; P92-R94 PolarHBondContact O-N 2.9Å; P92-F95 PolarHBondContact O-N 3.36Å; P92-Y96 PolarHBondContact O-N 2.84Å; P92-S128 WeakPolarHBondContact CB-O 3.19Å; P92-S128 PolarHBondContact O-OG 2.82Å |
| 93 | A | 71.4 | Confident | 69.4 | Low | 39 Ų | 39 | 53.1 Ų | 53.1 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G90 F95 Y96 A97 S128 | G90-A93 PolarHBondContact O-N 2.68Å; A93-F95 PolarHBondContact O-N 3.1Å; A93-Y96 PolarHBondContact O-N 3.4Å; A93-A97 WeakPolarHBondContact O-CB 3.37Å; A93-A97 PolarHBondContact O-N 3.08Å; A93-S128 PolarHBondContact N-OG 2.91Å |
| 94 | R | 70 | Confident | 71.1 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.2 | -31.5 | -179.3 | -71.1 | 178.6 | -171.7 | -178 | 4.2 | 113 | Y68 G90 P92 L98 | Y68-R94 HydrophobicContact CD1-CB 3.82Å; Y68-R94 HydrophobicContact CD1-CG 4.38Å; Y68-R94 HydrophobicContact CD2-CB 4.23Å; Y68-R94 HydrophobicContact CE1-CB 4.21Å; Y68-R94 HydrophobicContact CE1-CG 4.29Å; Y68-R94 VanDerWaalsContact CE1-NH1 3.28Å; Y68-R94 HydrophobicContact CG-CB 3.87Å; Y68-R94 PolarHBondContact OH-NH1 3.21Å; G90-R94 VanDerWaalsContact O-CB 3.24Å; G90-R94 WeakPolarHBondContact O-CB 3.49Å; G90-R94 WeakPolarHBondContact O-CG 3.5Å; G90-R94 PolarHBondContact O-N 3.45Å; P92-R94 VanDerWaalsContact C-N 3.32Å; P92-R94 PolarHBondContact O-N 2.9Å; R94-L98 WeakPolarHBondContact O-CD1 3.32Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å |
| 95 | F | 69.2 | Low | 72.5 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 172.7 | 175.5 | -95 | 0 | 0 | 0 | 111.1 | V47 V51 A69 M72 A91 P92 A93 A97 L98 F99 T124 | V47-F95 HydrophobicContact CB-CZ 4.31Å; V47-F95 HydrophobicContact CG1-CE1 3.73Å; V47-F95 HydrophobicContact CG1-CE2 4.02Å; V47-F95 HydrophobicContact CG1-CZ 3.31Å; V47-F95 HydrophobicContact CG2-CE1 4.17Å; V47-F95 HydrophobicContact CG2-CZ 4.18Å; V51-F95 HydrophobicContact CG2-CE2 3.78Å; V51-F95 HydrophobicContact CG2-CZ 4.44Å; A69-F95 HydrophobicContact CB-CD2 4.19Å; A69-F95 HydrophobicContact CB-CE2 4.26Å; M72-F95 HydrophobicContact CB-CB 4Å; M72-F95 HydrophobicContact CB-CD2 4.35Å; M72-F95 HydrophobicContact CB-CG 4.21Å; M72-F95 HydrophobicContact CE-CB 3.37Å; M72-F95 HydrophobicContact CE-CD1 3.84Å; M72-F95 HydrophobicContact CE-CG 3.86Å; M72-F95 HydrophobicContact CG-CB 4.24Å; M72-F95 HydrophobicContact CG-CG 4.22Å; M72-F95 HydrophobicContact SD-CB 3.31Å; M72-F95 WeakPolarHBondContact SD-CB 3.4Å; M72-F95 HydrophobicContact SD-CD1 3.02Å; M72-F95 WeakPolarHBondContact SD-CD1 3.41Å; M72-F95 HydrophobicContact SD-CD2 3.92Å; M72-F95 HydrophobicContact SD-CE1 3.75Å; M72-F95 HydrophobicContact SD-CG 3.11Å; M72-F95 WeakPolarHBondContact SD-CG 3.3Å; M72-F95 HydrophobicContact SD-CZ 4.47Å; A91-F95 WeakPolarHBondContact O-CB 3.44Å; A91-F95 PolarHBondContact O-N 3.12Å; P92-F95 PolarHBondContact O-N 3.36Å; A93-F95 PolarHBondContact O-N 3.1Å; F95-A97 PolarHBondContact O-N 3.33Å; F95-L98 CarbonylContact O-C 3.23Å; F95-L98 WeakPolarHBondContact O-CA 3.35Å; F95-L98 WeakPolarHBondContact O-CB 3.4Å; F95-L98 PolarHBondContact O-N 2.7Å; F95-F99 PolarHBondContact O-N 3.45Å; F95-T124 HydrophobicContact CD1-CG2 4.05Å; F95-T124 HydrophobicContact CE1-CG2 3.6Å |
| 96 | Y | 82.2 | Confident | 74.3 | Confident | 26 Ų | 26 | 43 Ų | 43 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 178.9 | -169.7 | -102.7 | 0 | 0 | 0 | 111.6 | P92 A93 L98 F99 R121 T124 A125 N179 L183 | P92-Y96 PolarHBondContact O-N 2.84Å; A93-Y96 PolarHBondContact O-N 3.4Å; Y96-L98 PolarHBondContact O-N 2.96Å; Y96-L98 VanDerWaalsContact O-N 3.09Å; Y96-F99 HydrophobicContact CD2-CB 4.33Å; Y96-F99 HydrophobicContact CD2-CD2 4.33Å; Y96-F99 HydrophobicContact CE2-CB 4.46Å; Y96-F99 HydrophobicContact CE2-CD2 4.34Å; Y96-F99 HydrophobicContact CE2-CG 4.37Å; Y96-F99 WeakPolarHBondContact O-CB 3.4Å; Y96-F99 PolarHBondContact O-N 3.4Å; Y96-R121 HydrophobicContact CE2-CG 4.4Å; Y96-T124 HydrophobicContact CD2-CG2 4.13Å; Y96-A125 HydrophobicContact CD2-CB 4.06Å; Y96-A125 HydrophobicContact CE1-CB 4.22Å; Y96-A125 HydrophobicContact CE2-CB 3.48Å; Y96-A125 VanDerWaalsContact CE2-CB 3.48Å; Y96-N179 HydrophobicContact CD1-CB 3.7Å; Y96-N179 VanDerWaalsContact CD1-CG 3.46Å; Y96-N179 WeakPolarHBondContact CD1-OD1 3.44Å; Y96-N179 HydrophobicContact CE1-CB 3.84Å; Y96-N179 HydrophobicContact CG-CB 4.26Å; Y96-L183 WeakPolarHBondContact OH-CD2 3.35Å; Y96-L183 WeakPolarHBondContact OH-CG 3.44Å |
| 97 | A | 79.4 | Confident | 76.1 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A93 F95 | A93-A97 WeakPolarHBondContact O-CB 3.37Å; A93-A97 PolarHBondContact O-N 3.08Å; F95-A97 PolarHBondContact O-N 3.33Å |
| 98 | L | 79.4 | Confident | 77.6 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 1.1 | 177.9 | -65.4 | 165 | 0 | 0 | 0 | 112.9 | S65 Y68 R94 F95 Y96 D100 T101 V102 | S65-L98 VanDerWaalsContact CA-CD1 3.43Å; Y68-L98 HydrophobicContact CD2-CD1 4.08Å; R94-L98 WeakPolarHBondContact O-CD1 3.32Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; F95-L98 CarbonylContact O-C 3.23Å; F95-L98 WeakPolarHBondContact O-CA 3.35Å; F95-L98 WeakPolarHBondContact O-CB 3.4Å; F95-L98 PolarHBondContact O-N 2.7Å; Y96-L98 PolarHBondContact O-N 2.96Å; Y96-L98 VanDerWaalsContact O-N 3.09Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 3.4Å; L98-T101 WeakPolarHBondContact O-CA 3.12Å; L98-T101 WeakPolarHBondContact O-CB 3.23Å; L98-T101 PolarHBondContact O-N 3.45Å; L98-V102 WeakPolarHBondContact O-CG2 3.26Å; L98-V102 PolarHBondContact O-N 3.21Å |
| 99 | F | 86 | Confident | 79 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.8 | -47.5 | -173.5 | -169.8 | -84.4 | 0 | 0 | 0 | 111.9 | F95 Y96 T101 V102 V103 V117 R121 T124 | F95-F99 PolarHBondContact O-N 3.45Å; Y96-F99 HydrophobicContact CD2-CB 4.33Å; Y96-F99 HydrophobicContact CD2-CD2 4.33Å; Y96-F99 HydrophobicContact CE2-CB 4.46Å; Y96-F99 HydrophobicContact CE2-CD2 4.34Å; Y96-F99 HydrophobicContact CE2-CG 4.37Å; Y96-F99 WeakPolarHBondContact O-CB 3.4Å; Y96-F99 PolarHBondContact O-N 3.4Å; F99-T101 VanDerWaalsContact C-N 3.28Å; F99-T101 PolarHBondContact O-N 2.71Å; F99-V102 WeakPolarHBondContact O-CB 3.38Å; F99-V102 PolarHBondContact O-N 3.23Å; F99-V102 VanDerWaalsContact O-N 3.13Å; F99-V103 HydrophobicContact CD1-CG2 3.86Å; F99-V103 HydrophobicContact CE1-CG2 3.63Å; F99-V103 HydrophobicContact CZ-CG2 4.4Å; F99-V103 WeakPolarHBondContact O-CG2 3.39Å; F99-V103 PolarHBondContact O-N 3.38Å; F99-V117 HydrophobicContact CE1-CG1 4.36Å; F99-V117 HydrophobicContact CE2-CG1 3.94Å; F99-V117 HydrophobicContact CZ-CG1 3.75Å; F99-V117 VanDerWaalsContact CZ-O 3.24Å; F99-V117 WeakPolarHBondContact CZ-O 3.48Å; F99-R121 HydrophobicContact CD1-CG 4.25Å; F99-R121 VanDerWaalsContact CD1-CZ 3.43Å; F99-R121 HydrophobicContact CE1-CB 3.71Å; F99-R121 HydrophobicContact CE1-CG 3.8Å; F99-R121 VanDerWaalsContact CZ-CA 3.42Å; F99-R121 HydrophobicContact CZ-CB 3.63Å; F99-R121 HydrophobicContact CZ-CG 4.08Å; F99-T124 HydrophobicContact CD2-CG2 3.76Å; F99-T124 HydrophobicContact CE2-CG2 3.79Å |
| 100 | D | 87.1 | Confident | 80.5 | Confident | 98 Ų | 98 | 52 Ų | 52 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 177.9 | -63 | -40.1 | 0 | 0 | 0 | 112.7 | L98 V103 Q104 R121 | L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 3.4Å; D100-V103 PolarHBondContact O-N 2.86Å; D100-Q104 VanDerWaalsContact O-CB 3.28Å; D100-Q104 WeakPolarHBondContact O-CB 3.44Å; D100-Q104 PolarHBondContact O-N 3.41Å; D100-R121 IonicContact OD1-CZ 2.88Å; D100-R121 IonicContact OD1-NH1 3.27Å; D100-R121 PolarHBondContact OD1-NH1 3.11Å; D100-R121 IonicContact OD1-NH2 2.91Å; D100-R121 PolarHBondContact OD1-NH2 3.09Å; D100-R121 IonicContact OD2-NH1 3.76Å |
| 101 | T | 83 | Confident | 81.9 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 111 | L98 F99 Q104 F105 | L98-T101 WeakPolarHBondContact O-CA 3.12Å; L98-T101 WeakPolarHBondContact O-CB 3.23Å; L98-T101 PolarHBondContact O-N 3.45Å; F99-T101 VanDerWaalsContact C-N 3.28Å; F99-T101 PolarHBondContact O-N 2.71Å; T101-Q104 PolarHBondContact O-N 2.77Å; T101-F105 WeakPolarHBondContact O-CB 3.3Å; T101-F105 PolarHBondContact O-N 3.24Å |
| 102 | V | 84.1 | Confident | 83.3 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | A50 I54 L98 F99 Q104 F105 L106 | A50-V102 HydrophobicContact CB-CG1 3.91Å; I54-V102 HydrophobicContact CD1-CB 4.3Å; I54-V102 HydrophobicContact CD1-CG1 4.03Å; I54-V102 HydrophobicContact CD1-CG2 3.8Å; L98-V102 WeakPolarHBondContact O-CG2 3.26Å; L98-V102 PolarHBondContact O-N 3.21Å; F99-V102 WeakPolarHBondContact O-CB 3.38Å; F99-V102 PolarHBondContact O-N 3.23Å; F99-V102 VanDerWaalsContact O-N 3.13Å; V102-Q104 VanDerWaalsContact C-N 3.32Å; V102-Q104 PolarHBondContact O-N 3.21Å; V102-F105 PolarHBondContact O-N 3.41Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 3.08Å |
| 103 | V | 88.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | F99 D100 F105 L106 K107 R114 V117 E118 | F99-V103 HydrophobicContact CD1-CG2 3.86Å; F99-V103 HydrophobicContact CE1-CG2 3.63Å; F99-V103 HydrophobicContact CZ-CG2 4.4Å; F99-V103 WeakPolarHBondContact O-CG2 3.39Å; F99-V103 PolarHBondContact O-N 3.38Å; D100-V103 PolarHBondContact O-N 2.86Å; V103-F105 PolarHBondContact O-N 3.02Å; V103-L106 PolarHBondContact O-N 3.05Å; V103-K107 PolarHBondContact O-N 3.34Å; V103-R114 HydrophobicContact CG1-CG 3.9Å; V103-R114 VanDerWaalsContact O-CG 3.25Å; V103-R114 WeakPolarHBondContact O-CG 3.5Å; V103-V117 HydrophobicContact CG2-CG1 3.97Å; V103-E118 VanDerWaalsContact CG1-OE2 3.28Å; V103-E118 WeakPolarHBondContact CG1-OE2 3.29Å; V103-E118 WeakPolarHBondContact CG2-OE2 3.31Å |
| 104 | Q | 87 | Confident | 85.7 | Confident | 126 Ų | 126 | 63.4 Ų | 63.4 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 178.7 | -175.3 | 64.3 | 11.5 | 0 | 0 | 112.2 | D100 T101 V102 K107 | D100-Q104 VanDerWaalsContact O-CB 3.28Å; D100-Q104 WeakPolarHBondContact O-CB 3.44Å; D100-Q104 PolarHBondContact O-N 3.41Å; T101-Q104 PolarHBondContact O-N 2.77Å; V102-Q104 VanDerWaalsContact C-N 3.32Å; V102-Q104 PolarHBondContact O-N 3.21Å; Q104-K107 VanDerWaalsContact O-CB 3.3Å; Q104-K107 WeakPolarHBondContact O-CB 3.03Å; Q104-K107 PolarHBondContact O-N 2.95Å |
| 105 | F | 84.7 | Confident | 86.9 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.3 | 170.2 | -93 | 0 | 0 | 0 | 111.6 | I54 S57 T101 V102 V103 K107 T108 E109 | I54-F105 HydrophobicContact CB-CE1 4.18Å; I54-F105 HydrophobicContact CB-CZ 4.48Å; I54-F105 HydrophobicContact CD1-CD1 4.27Å; I54-F105 HydrophobicContact CG1-CD1 3.4Å; I54-F105 HydrophobicContact CG1-CE1 3.44Å; I54-F105 VanDerWaalsContact CG1-CE1 3.44Å; I54-F105 HydrophobicContact CG1-CG 4.05Å; I54-F105 HydrophobicContact CG1-CZ 4.14Å; S57-F105 WeakPolarHBondContact OG-CZ 3.33Å; T101-F105 WeakPolarHBondContact O-CB 3.3Å; T101-F105 PolarHBondContact O-N 3.24Å; V102-F105 PolarHBondContact O-N 3.41Å; V103-F105 PolarHBondContact O-N 3.02Å; F105-K107 PolarHBondContact O-N 3.21Å; F105-T108 PolarHBondContact O-N 3.42Å; F105-T108 PolarHBondContact O-OG1 3.37Å; F105-E109 HydrophobicContact CD1-CG 4.31Å; F105-E109 HydrophobicContact CD2-CG 4.49Å; F105-E109 HydrophobicContact CE1-CB 4.28Å; F105-E109 HydrophobicContact CE1-CG 3.81Å; F105-E109 HydrophobicContact CE2-CG 4.01Å; F105-E109 HydrophobicContact CZ-CG 3.65Å; F105-E109 WeakPolarHBondContact O-CG 3.29Å |
| 106 | L | 88.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.5 | -20.3 | -178.7 | -67.4 | 173.9 | 0 | 0 | 0 | 113.2 | A50 K53 V102 V103 T108 E109 D110 L113 R114 V117 | A50-L106 HydrophobicContact CB-CD1 3.82Å; A50-L106 HydrophobicContact CB-CD2 4.46Å; K53-L106 HydrophobicContact CD-CD2 4.44Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 3.08Å; V103-L106 PolarHBondContact O-N 3.05Å; L106-T108 PolarHBondContact O-N 2.85Å; L106-T108 VanDerWaalsContact O-N 3.17Å; L106-E109 PolarHBondContact O-N 3.18Å; L106-E109 VanDerWaalsContact O-N 3.15Å; L106-D110 CarbonylContact O-C 3.53Å; L106-D110 VanDerWaalsContact O-C 3.23Å; L106-D110 PolarHBondContact O-N 3.02Å; L106-L113 HydrophobicContact CD1-CD2 4.32Å; L106-L113 HydrophobicContact CD1-CG 4.03Å; L106-L113 HydrophobicContact CD2-CD2 3.84Å; L106-L113 HydrophobicContact CD2-CG 4.34Å; L106-R114 HydrophobicContact CB-CB 3.58Å; L106-R114 HydrophobicContact CB-CG 3.89Å; L106-V117 HydrophobicContact CD1-CB 4.23Å; L106-V117 HydrophobicContact CD1-CG2 3.84Å |
| 107 | K | 89 | Confident | 88.7 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 52% | 0.522 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57 | -32.7 | 179.8 | -169 | 176.7 | -179.6 | 178 | 0 | 113.3 | V103 Q104 F105 | V103-K107 PolarHBondContact O-N 3.34Å; Q104-K107 VanDerWaalsContact O-CB 3.3Å; Q104-K107 WeakPolarHBondContact O-CB 3.03Å; Q104-K107 PolarHBondContact O-N 2.95Å; F105-K107 PolarHBondContact O-N 3.21Å |
| 108 | T | 83.9 | Confident | 89.4 | Confident | 118 Ų | 118 | 60 Ų | 60 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -99.3 | -15.1 | 179.1 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | F105 L106 | F105-T108 PolarHBondContact O-N 3.42Å; F105-T108 PolarHBondContact O-OG1 3.37Å; L106-T108 PolarHBondContact O-N 2.85Å; L106-T108 VanDerWaalsContact O-N 3.17Å |
| 109 | E | 85.9 | Confident | 90.1 | Very high | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -106.6 | -38.5 | -170.3 | -63.4 | -71.8 | 140.7 | 0 | 0 | 113.3 | F105 L106 | F105-E109 HydrophobicContact CD1-CG 4.31Å; F105-E109 HydrophobicContact CD2-CG 4.49Å; F105-E109 HydrophobicContact CE1-CB 4.28Å; F105-E109 HydrophobicContact CE1-CG 3.81Å; F105-E109 HydrophobicContact CE2-CG 4.01Å; F105-E109 HydrophobicContact CZ-CG 3.65Å; F105-E109 WeakPolarHBondContact O-CG 3.29Å; L106-E109 PolarHBondContact O-N 3.18Å; L106-E109 VanDerWaalsContact O-N 3.15Å |
| 110 | D | 91.7 | Very high | 90.4 | Very high | 42 Ų | 42 | 66 Ų | 66 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | trans | -163.2 | 93.7 | -176.4 | -167.2 | -34.5 | 0 | 0 | 0 | 110.7 | K53 L106 E112 L113 R114 | K53-D110 HydrophobicContact CD-CB 4.14Å; K53-D110 WeakPolarHBondContact CE-OD2 3.35Å; K53-D110 IonicContact NZ-OD2 3.4Å; K53-D110 PolarHBondContact NZ-OD2 3.2Å; L106-D110 CarbonylContact O-C 3.53Å; L106-D110 VanDerWaalsContact O-C 3.23Å; L106-D110 PolarHBondContact O-N 3.02Å; D110-E112 VanDerWaalsContact C-N 3.34Å; D110-E112 PolarHBondContact O-N 3.01Å; D110-E112 PolarHBondContact OD1-N 2.77Å; D110-L113 HydrophobicContact CB-CB 3.91Å; D110-L113 VanDerWaalsContact CG-CB 3.42Å; D110-L113 PolarHBondContact O-N 2.76Å; D110-L113 WeakPolarHBondContact OD1-CB 3.46Å; D110-L113 PolarHBondContact OD1-N 2.86Å; D110-R114 WeakPolarHBondContact O-CB 3.44Å; D110-R114 PolarHBondContact O-N 3.2Å | ||
| 111 | T | 93.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 63.6 Ų | 63.6 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | -176.8 | -46.6 | 0 | 0 | 0 | 0 | 112.7 | R114 D115 | T111-R114 WeakPolarHBondContact O-CB 3.38Å; T111-R114 PolarHBondContact O-N 3.19Å; T111-D115 PolarHBondContact O-N 3.11Å |
| 112 | E | 96.3 | Very high | 91.2 | Very high | 144 Ų | 144 | 60.8 Ų | 60.8 | 67% | 0.673 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.9 | -47.5 | 179.2 | -175.8 | -174.4 | 170 | 0 | 0 | 110.4 | D110 R114 D115 N116 | D110-E112 VanDerWaalsContact C-N 3.34Å; D110-E112 PolarHBondContact O-N 3.01Å; D110-E112 PolarHBondContact OD1-N 2.77Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.92Å; E112-D115 PolarHBondContact O-N 3.47Å; E112-N116 PolarHBondContact O-N 3.07Å; E112-N116 PolarHBondContact O-ND2 2.87Å |
| 113 | L | 94.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.1 | -175.5 | 61.6 | 0 | 0 | 0 | 111.3 | Y46 I49 A50 K53 L106 D110 D115 N116 V117 | Y46-L113 HydrophobicContact CD1-CD1 4.34Å; I49-L113 HydrophobicContact CB-CD1 4.16Å; I49-L113 HydrophobicContact CB-CD2 4.28Å; I49-L113 HydrophobicContact CG2-CD1 4.08Å; I49-L113 HydrophobicContact CG2-CD2 3.63Å; A50-L113 HydrophobicContact CB-CD2 4.16Å; K53-L113 HydrophobicContact CD-CD2 3.79Å; L106-L113 HydrophobicContact CD1-CD2 4.32Å; L106-L113 HydrophobicContact CD1-CG 4.03Å; L106-L113 HydrophobicContact CD2-CD2 3.84Å; L106-L113 HydrophobicContact CD2-CG 4.34Å; D110-L113 HydrophobicContact CB-CB 3.91Å; D110-L113 VanDerWaalsContact CG-CB 3.42Å; D110-L113 PolarHBondContact O-N 2.76Å; D110-L113 WeakPolarHBondContact OD1-CB 3.46Å; D110-L113 PolarHBondContact OD1-N 2.86Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 3.19Å; L113-N116 PolarHBondContact O-N 2.91Å; L113-V117 HydrophobicContact CD1-CG2 4.2Å; L113-V117 HydrophobicContact CG-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CB 3.47Å; L113-V117 VanDerWaalsContact O-CG2 3.28Å; L113-V117 WeakPolarHBondContact O-CG2 3.26Å; L113-V117 PolarHBondContact O-N 3.39Å |
| 114 | R | 94.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 59.8 Ų | 59.8 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.7 | -49.6 | 174.6 | -169.8 | -89.8 | -69.3 | -172 | 3.1 | 111 | V103 L106 D110 T111 E112 N116 V117 E118 | V103-R114 HydrophobicContact CG1-CG 3.9Å; V103-R114 VanDerWaalsContact O-CG 3.25Å; V103-R114 WeakPolarHBondContact O-CG 3.5Å; L106-R114 HydrophobicContact CB-CB 3.58Å; L106-R114 HydrophobicContact CB-CG 3.89Å; D110-R114 WeakPolarHBondContact O-CB 3.44Å; D110-R114 PolarHBondContact O-N 3.2Å; T111-R114 WeakPolarHBondContact O-CB 3.38Å; T111-R114 PolarHBondContact O-N 3.19Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.92Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-V117 PolarHBondContact O-N 2.99Å; R114-E118 WeakPolarHBondContact O-CB 3.42Å; R114-E118 PolarHBondContact O-N 3.43Å |
| 115 | D | 96.5 | Very high | 92 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | -178.1 | -69.7 | -15.1 | 0 | 0 | 0 | 111.5 | T111 E112 L113 E118 K119 | T111-D115 PolarHBondContact O-N 3.11Å; E112-D115 PolarHBondContact O-N 3.47Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 3.19Å; D115-E118 PolarHBondContact O-N 2.94Å; D115-K119 WeakPolarHBondContact O-CB 3.48Å; D115-K119 VanDerWaalsContact O-CG 3.23Å; D115-K119 WeakPolarHBondContact O-CG 3.33Å; D115-K119 PolarHBondContact O-N 3.12Å |
| 116 | N | 96.3 | Very high | 92.4 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 175 | -74.9 | -32.2 | 0 | 0 | 0 | 112.5 | Y46 E112 L113 R114 S120 | Y46-N116 HydrophobicContact CD1-CB 3.9Å; Y46-N116 HydrophobicContact CD2-CB 3.88Å; Y46-N116 HydrophobicContact CE1-CB 3.9Å; Y46-N116 HydrophobicContact CE2-CB 3.86Å; Y46-N116 HydrophobicContact CG-CB 3.9Å; E112-N116 PolarHBondContact O-N 3.07Å; E112-N116 PolarHBondContact O-ND2 2.87Å; L113-N116 PolarHBondContact O-N 2.91Å; R114-N116 VanDerWaalsContact C-N 3.34Å; N116-S120 PolarHBondContact O-N 3.27Å |
| 117 | V | 92.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 109.6 | A50 F99 V103 L106 L113 R114 K119 S120 R121 | A50-V117 HydrophobicContact CB-CG2 3.93Å; F99-V117 HydrophobicContact CE1-CG1 4.36Å; F99-V117 HydrophobicContact CE2-CG1 3.94Å; F99-V117 HydrophobicContact CZ-CG1 3.75Å; F99-V117 VanDerWaalsContact CZ-O 3.24Å; F99-V117 WeakPolarHBondContact CZ-O 3.48Å; V103-V117 HydrophobicContact CG2-CG1 3.97Å; L106-V117 HydrophobicContact CD1-CB 4.23Å; L106-V117 HydrophobicContact CD1-CG2 3.84Å; L113-V117 HydrophobicContact CD1-CG2 4.2Å; L113-V117 HydrophobicContact CG-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CB 3.47Å; L113-V117 VanDerWaalsContact O-CG2 3.28Å; L113-V117 WeakPolarHBondContact O-CG2 3.26Å; L113-V117 PolarHBondContact O-N 3.39Å; R114-V117 PolarHBondContact O-N 2.99Å; V117-K119 VanDerWaalsContact C-N 3.33Å; V117-K119 PolarHBondContact O-N 3.49Å; V117-S120 WeakPolarHBondContact CA-OG 3.38Å; V117-S120 CarbonylContact O-C 3.58Å; V117-S120 WeakPolarHBondContact O-CA 3.44Å; V117-S120 WeakPolarHBondContact O-CB 3.37Å; V117-S120 PolarHBondContact O-N 2.91Å; V117-S120 PolarHBondContact O-OG 3.01Å; V117-R121 PolarHBondContact O-N 3.3Å |
| 118 | E | 93.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -43.4 | -180 | -171.1 | 60 | -146.6 | 0 | 0 | 112.1 | V103 R114 D115 S120 R121 | V103-E118 VanDerWaalsContact CG1-OE2 3.28Å; V103-E118 WeakPolarHBondContact CG1-OE2 3.29Å; V103-E118 WeakPolarHBondContact CG2-OE2 3.31Å; R114-E118 WeakPolarHBondContact O-CB 3.42Å; R114-E118 PolarHBondContact O-N 3.43Å; D115-E118 PolarHBondContact O-N 2.94Å; E118-S120 PolarHBondContact O-N 3.47Å; E118-R121 VanDerWaalsContact CD-NH2 3.3Å; E118-R121 VanDerWaalsContact O-CB 3.22Å; E118-R121 WeakPolarHBondContact O-CB 3.26Å; E118-R121 PolarHBondContact O-N 3.45Å; E118-R121 VanDerWaalsContact O-N 3.12Å; E118-R121 IonicContact OE1-CZ 2.71Å; E118-R121 VanDerWaalsContact OE1-CZ 3.27Å; E118-R121 IonicContact OE1-NE 2.86Å; E118-R121 PolarHBondContact OE1-NE 3.14Å; E118-R121 IonicContact OE1-NH2 3.33Å; E118-R121 PolarHBondContact OE1-NH2 2.62Å; E118-R121 IonicContact OE2-CZ 3.35Å; E118-R121 IonicContact OE2-NE 3.48Å; E118-R121 IonicContact OE2-NH2 3.63Å; E118-R121 PolarHBondContact OE2-NH2 2.83Å |
| 119 | K | 93.5 | Very high | 92.7 | Very high | 162 Ų | 162 | 40.8 Ų | 40.8 | 70% | 0.704 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.2 | -29.4 | 173.6 | -74.2 | 169.6 | -174.7 | 172 | 0 | 113 | D115 V117 R121 | D115-K119 WeakPolarHBondContact O-CB 3.48Å; D115-K119 VanDerWaalsContact O-CG 3.23Å; D115-K119 WeakPolarHBondContact O-CG 3.33Å; D115-K119 PolarHBondContact O-N 3.12Å; V117-K119 VanDerWaalsContact C-N 3.33Å; V117-K119 PolarHBondContact O-N 3.49Å; K119-R121 VanDerWaalsContact C-N 3.3Å; K119-R121 PolarHBondContact O-N 2.89Å |
| 120 | S | 93.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 8.3 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 114.5 | S43 N116 V117 E118 A122 D123 T124 | S43-S120 WeakPolarHBondContact OG-CB 3.39Å; N116-S120 PolarHBondContact O-N 3.27Å; V117-S120 WeakPolarHBondContact CA-OG 3.38Å; V117-S120 CarbonylContact O-C 3.58Å; V117-S120 WeakPolarHBondContact O-CA 3.44Å; V117-S120 WeakPolarHBondContact O-CB 3.37Å; V117-S120 PolarHBondContact O-N 2.91Å; V117-S120 PolarHBondContact O-OG 3.01Å; E118-S120 PolarHBondContact O-N 3.47Å; S120-A122 PolarHBondContact O-N 3.48Å; S120-D123 PolarHBondContact O-N 2.96Å; S120-T124 WeakPolarHBondContact O-CB 3.21Å; S120-T124 PolarHBondContact O-N 2.97Å; S120-T124 PolarHBondContact O-OG1 3.4Å |
| 121 | R | 93 | Very high | 92.7 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 18% | 0.181 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | -175.9 | -178.6 | -178.6 | -71.6 | -90.7 | -0.5 | 113.2 | Y96 F99 D100 V117 E118 K119 T124 A125 L183 | Y96-R121 HydrophobicContact CE2-CG 4.4Å; F99-R121 HydrophobicContact CD1-CG 4.25Å; F99-R121 VanDerWaalsContact CD1-CZ 3.43Å; F99-R121 HydrophobicContact CE1-CB 3.71Å; F99-R121 HydrophobicContact CE1-CG 3.8Å; F99-R121 VanDerWaalsContact CZ-CA 3.42Å; F99-R121 HydrophobicContact CZ-CB 3.63Å; F99-R121 HydrophobicContact CZ-CG 4.08Å; D100-R121 IonicContact OD1-CZ 2.88Å; D100-R121 IonicContact OD1-NH1 3.27Å; D100-R121 PolarHBondContact OD1-NH1 3.11Å; D100-R121 IonicContact OD1-NH2 2.91Å; D100-R121 PolarHBondContact OD1-NH2 3.09Å; D100-R121 IonicContact OD2-NH1 3.76Å; V117-R121 PolarHBondContact O-N 3.3Å; E118-R121 VanDerWaalsContact CD-NH2 3.3Å; E118-R121 VanDerWaalsContact O-CB 3.22Å; E118-R121 WeakPolarHBondContact O-CB 3.26Å; E118-R121 PolarHBondContact O-N 3.45Å; E118-R121 VanDerWaalsContact O-N 3.12Å; E118-R121 IonicContact OE1-CZ 2.71Å; E118-R121 VanDerWaalsContact OE1-CZ 3.27Å; E118-R121 IonicContact OE1-NE 2.86Å; E118-R121 PolarHBondContact OE1-NE 3.14Å; E118-R121 IonicContact OE1-NH2 3.33Å; E118-R121 PolarHBondContact OE1-NH2 2.62Å; E118-R121 IonicContact OE2-CZ 3.35Å; E118-R121 IonicContact OE2-NE 3.48Å; E118-R121 IonicContact OE2-NH2 3.63Å; E118-R121 PolarHBondContact OE2-NH2 2.83Å; K119-R121 VanDerWaalsContact C-N 3.3Å; K119-R121 PolarHBondContact O-N 2.89Å; R121-T124 PolarHBondContact O-N 3.21Å; R121-A125 WeakPolarHBondContact O-CB 3.47Å; R121-A125 PolarHBondContact O-N 2.83Å; R121-L183 HydrophobicContact CG-CD2 4.04Å |
| 122 | A | 93.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 13% | 0.132 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S120 T124 A125 Y126 L183 L189 V193 F197 | S120-A122 PolarHBondContact O-N 3.48Å; A122-T124 PolarHBondContact O-N 2.76Å; A122-A125 WeakPolarHBondContact O-CB 3.24Å; A122-A125 PolarHBondContact O-N 3.11Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 3.38Å; A122-L183 HydrophobicContact CB-CD1 4.32Å; A122-L189 HydrophobicContact CB-CD2 3.72Å; A122-V193 HydrophobicContact CB-CG1 4.03Å; A122-F197 HydrophobicContact CB-CZ 4.3Å |
| 123 | D | 93.9 | Very high | 92 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 178.3 | -61.8 | 3 | 0 | 0 | 0 | 111.3 | R39 L40 S43 S120 M127 | R39-D123 WeakPolarHBondContact CG-OD2 3.45Å; R39-D123 IonicContact CZ-OD1 3.82Å; R39-D123 IonicContact NE-OD1 3.1Å; R39-D123 PolarHBondContact NE-OD1 2.89Å; R39-D123 IonicContact NE-OD2 2.77Å; R39-D123 PolarHBondContact NE-OD2 2.88Å; R39-D123 IonicContact NH2-OD1 2.81Å; R39-D123 PolarHBondContact NH2-OD1 3.49Å; R39-D123 VanDerWaalsContact NH2-OD1 3.11Å; L40-D123 HydrophobicContact CD2-CB 3.88Å; S43-D123 WeakPolarHBondContact CB-OD2 3.37Å; S43-D123 PolarHBondContact OG-OD2 3.13Å; S120-D123 PolarHBondContact O-N 2.96Å; D123-M127 HydrophobicContact CB-CE 4.38Å; D123-M127 WeakPolarHBondContact O-CB 3.24Å; D123-M127 WeakPolarHBondContact O-CE 3.36Å; D123-M127 VanDerWaalsContact O-CG 3.29Å; D123-M127 WeakPolarHBondContact O-CG 3.4Å; D123-M127 PolarHBondContact O-N 3.39Å |
| 124 | T | 90.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.1 | -40.2 | 179 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | V47 F95 Y96 F99 S120 R121 A122 Y126 M127 S128 | V47-T124 HydrophobicContact CG2-CG2 4.2Å; F95-T124 HydrophobicContact CD1-CG2 4.05Å; F95-T124 HydrophobicContact CE1-CG2 3.6Å; Y96-T124 HydrophobicContact CD2-CG2 4.13Å; F99-T124 HydrophobicContact CD2-CG2 3.76Å; F99-T124 HydrophobicContact CE2-CG2 3.79Å; S120-T124 WeakPolarHBondContact O-CB 3.21Å; S120-T124 PolarHBondContact O-N 2.97Å; S120-T124 PolarHBondContact O-OG1 3.4Å; R121-T124 PolarHBondContact O-N 3.21Å; A122-T124 PolarHBondContact O-N 2.76Å; T124-Y126 VanDerWaalsContact C-N 3.35Å; T124-M127 PolarHBondContact O-N 2.92Å; T124-S128 VanDerWaalsContact O-CB 3.31Å; T124-S128 WeakPolarHBondContact O-CB 3.21Å; T124-S128 PolarHBondContact O-N 3.26Å |
| 125 | A | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y96 R121 A122 S128 D129 N179 L180 L183 | Y96-A125 HydrophobicContact CD2-CB 4.06Å; Y96-A125 HydrophobicContact CE1-CB 4.22Å; Y96-A125 HydrophobicContact CE2-CB 3.48Å; Y96-A125 VanDerWaalsContact CE2-CB 3.48Å; R121-A125 WeakPolarHBondContact O-CB 3.47Å; R121-A125 PolarHBondContact O-N 2.83Å; A122-A125 WeakPolarHBondContact O-CB 3.24Å; A122-A125 PolarHBondContact O-N 3.11Å; A125-S128 WeakPolarHBondContact O-CB 3.36Å; A125-S128 PolarHBondContact O-N 3.37Å; A125-D129 PolarHBondContact O-N 3.37Å; A125-N179 HydrophobicContact CB-CB 3.88Å; A125-L180 HydrophobicContact CB-CD2 4.01Å; A125-L183 HydrophobicContact CB-CD1 3.4Å; A125-L183 HydrophobicContact CB-CG 4.33Å |
| 126 | Y | 93.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.5 | -55.4 | 175.9 | 173.4 | -95.2 | 0 | 0 | 0 | 111.1 | L40 A122 T124 S128 D129 Y130 L180 F197 H200 F201 | L40-Y126 HydrophobicContact CD1-CD1 3.94Å; L40-Y126 HydrophobicContact CD1-CE1 3.61Å; L40-Y126 HydrophobicContact CD2-CD1 3.85Å; L40-Y126 HydrophobicContact CD2-CE1 4.38Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 3.38Å; T124-Y126 VanDerWaalsContact C-N 3.35Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 3.12Å; Y126-D129 PolarHBondContact O-N 3.37Å; Y126-D129 VanDerWaalsContact O-N 3.16Å; Y126-Y130 HydrophobicContact CE1-CG 4.46Å; Y126-Y130 VanDerWaalsContact O-CB 3.27Å; Y126-Y130 WeakPolarHBondContact O-CB 3.2Å; Y126-Y130 PolarHBondContact O-N 3.3Å; Y126-L180 HydrophobicContact CD2-CD1 3.91Å; Y126-F197 HydrophobicContact CD1-CD1 4.07Å; Y126-F197 HydrophobicContact CD1-CE1 4.22Å; Y126-F197 HydrophobicContact CD1-CG 4.46Å; Y126-F197 HydrophobicContact CD2-CB 3.84Å; Y126-F197 AromaticContact CD2-CD1 3.92Å; Y126-F197 HydrophobicContact CD2-CD1 3.92Å; Y126-F197 AromaticContact CD2-CD2 3.55Å; Y126-F197 HydrophobicContact CD2-CD2 3.55Å; Y126-F197 HydrophobicContact CD2-CE1 4.39Å; Y126-F197 HydrophobicContact CD2-CE2 4.05Å; Y126-F197 AromaticContact CD2-CG 3.48Å; Y126-F197 HydrophobicContact CD2-CG 3.48Å; Y126-F197 VanDerWaalsContact CD2-CG 3.48Å; Y126-F197 HydrophobicContact CD2-CZ 4.45Å; Y126-F197 HydrophobicContact CE1-CD1 4.45Å; Y126-F197 HydrophobicContact CE2-CB 3.67Å; Y126-F197 HydrophobicContact CE2-CD1 4.3Å; Y126-F197 HydrophobicContact CE2-CD2 4.27Å; Y126-F197 AromaticContact CE2-CG 3.83Å; Y126-F197 HydrophobicContact CE2-CG 3.83Å; Y126-F197 AromaticContact CG-CD1 3.81Å; Y126-F197 HydrophobicContact CG-CD1 3.81Å; Y126-F197 AromaticContact CG-CD2 3.96Å; Y126-F197 HydrophobicContact CG-CD2 3.96Å; Y126-F197 AromaticContact CG-CE1 3.91Å; Y126-F197 HydrophobicContact CG-CE1 3.91Å; Y126-F197 HydrophobicContact CG-CE2 4.04Å; Y126-F197 AromaticContact CG-CG 3.85Å; Y126-F197 HydrophobicContact CG-CG 3.85Å; Y126-F197 HydrophobicContact CG-CZ 4.03Å; Y126-H200 AromaticContact CE1-CE1 3.98Å; Y126-H200 AromaticContact CE1-ND1 3.4Å; Y126-H200 WeakPolarHBondContact CE1-ND1 3.43Å; Y126-H200 AromaticContact CZ-ND1 3.5Å; Y126-H200 PolarHBondContact OH-ND1 2.9Å; Y126-F201 HydrophobicContact CE2-CD2 4.42Å; Y126-F201 HydrophobicContact CE2-CE1 4.28Å; Y126-F201 AromaticContact CE2-CE2 3.59Å; Y126-F201 HydrophobicContact CE2-CE2 3.59Å; Y126-F201 AromaticContact CE2-CZ 3.48Å; Y126-F201 HydrophobicContact CE2-CZ 3.48Å; Y126-F201 VanDerWaalsContact CE2-CZ 3.48Å; Y126-F201 AromaticContact CZ-CZ 3.84Å; Y126-F201 WeakPolarHBondContact OH-CE1 3.34Å; Y126-F201 WeakPolarHBondContact OH-CZ 3.39Å |
| 127 | M | 90.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.1 | -42.2 | -179.7 | -76.5 | -174 | -73.4 | 0 | 0 | 111.2 | L36 L40 L44 D123 T124 D129 Y130 Y131 | L36-M127 HydrophobicContact CD1-SD 4.49Å; L40-M127 HydrophobicContact CB-SD 4.33Å; L40-M127 HydrophobicContact CD2-CG 4.16Å; L44-M127 HydrophobicContact CB-CE 4.36Å; L44-M127 HydrophobicContact CB-SD 4.16Å; D123-M127 HydrophobicContact CB-CE 4.38Å; D123-M127 WeakPolarHBondContact O-CB 3.24Å; D123-M127 WeakPolarHBondContact O-CE 3.36Å; D123-M127 VanDerWaalsContact O-CG 3.29Å; D123-M127 WeakPolarHBondContact O-CG 3.4Å; D123-M127 PolarHBondContact O-N 3.39Å; T124-M127 PolarHBondContact O-N 2.92Å; M127-D129 PolarHBondContact O-N 2.95Å; M127-Y130 PolarHBondContact O-N 3.09Å; M127-Y131 HydrophobicContact CB-CD2 4.13Å; M127-Y131 HydrophobicContact CB-CE2 4.17Å; M127-Y131 HydrophobicContact CG-CE2 4.43Å; M127-Y131 VanDerWaalsContact O-CB 3.31Å; M127-Y131 WeakPolarHBondContact O-CB 3.39Å; M127-Y131 WeakPolarHBondContact O-CD2 3.5Å; M127-Y131 PolarHBondContact O-N 3.48Å |
| 128 | S | 87.5 | Confident | 90.5 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | P92 A93 T124 A125 Y126 L132 N179 | P92-S128 WeakPolarHBondContact CB-O 3.19Å; P92-S128 PolarHBondContact O-OG 2.82Å; A93-S128 PolarHBondContact N-OG 2.91Å; T124-S128 VanDerWaalsContact O-CB 3.31Å; T124-S128 WeakPolarHBondContact O-CB 3.21Å; T124-S128 PolarHBondContact O-N 3.26Å; A125-S128 WeakPolarHBondContact O-CB 3.36Å; A125-S128 PolarHBondContact O-N 3.37Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 3.12Å; S128-L132 PolarHBondContact O-N 3.24Å; S128-L132 VanDerWaalsContact O-N 3.14Å; S128-N179 PolarHBondContact OG-ND2 2.8Å |
| 129 | D | 90.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 179.8 | -78.6 | -19.6 | 0 | 0 | 0 | 112.4 | A125 Y126 M127 L132 K133 F177 H178 N179 L180 | A125-D129 PolarHBondContact O-N 3.37Å; Y126-D129 PolarHBondContact O-N 3.37Å; Y126-D129 VanDerWaalsContact O-N 3.16Å; M127-D129 PolarHBondContact O-N 2.95Å; D129-L132 WeakPolarHBondContact O-CB 3.38Å; D129-L132 PolarHBondContact O-N 3.03Å; D129-K133 PolarHBondContact O-N 3.3Å; D129-F177 HydrophobicContact CB-CB 4.1Å; D129-F177 HydrophobicContact CB-CD1 3.73Å; D129-F177 HydrophobicContact CB-CG 4.25Å; D129-F177 WeakPolarHBondContact OD2-CA 3.4Å; D129-F177 WeakPolarHBondContact OD2-CB 3.16Å; D129-H178 PolarHBondContact OD2-N 2.92Å; D129-N179 PolarHBondContact OD1-N 3.1Å; D129-N179 PolarHBondContact OD1-ND2 3.45Å; D129-N179 WeakPolarHBondContact OD2-CA 3.43Å; D129-N179 WeakPolarHBondContact OD2-CB 3.43Å; D129-N179 PolarHBondContact OD2-N 3.45Å; D129-L180 PolarHBondContact OD2-N 3.23Å |
| 130 | Y | 89 | Confident | 90 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 177.3 | 150 | -99.7 | 0 | 0 | 0 | 112.2 | A33 L36 Y126 M127 L132 K133 F134 L204 | A33-Y130 VanDerWaalsContact C-OH 3.27Å; A33-Y130 WeakPolarHBondContact CA-OH 3.44Å; A33-Y130 PolarHBondContact O-OH 2.96Å; L36-Y130 HydrophobicContact CD2-CE1 4.46Å; Y126-Y130 HydrophobicContact CE1-CG 4.46Å; Y126-Y130 VanDerWaalsContact O-CB 3.27Å; Y126-Y130 WeakPolarHBondContact O-CB 3.2Å; Y126-Y130 PolarHBondContact O-N 3.3Å; M127-Y130 PolarHBondContact O-N 3.09Å; Y130-L132 PolarHBondContact O-N 2.99Å; Y130-K133 WeakPolarHBondContact O-CB 3.46Å; Y130-K133 PolarHBondContact O-N 3.11Å; Y130-F134 AromaticContact CD2-CD2 3.71Å; Y130-F134 HydrophobicContact CD2-CD2 3.71Å; Y130-F134 AromaticContact CD2-CE2 3.74Å; Y130-F134 HydrophobicContact CD2-CE2 3.74Å; Y130-F134 AromaticContact CE2-CD2 3.24Å; Y130-F134 HydrophobicContact CE2-CD2 3.24Å; Y130-F134 AromaticContact CE2-CE2 3.04Å; Y130-F134 HydrophobicContact CE2-CE2 3.04Å; Y130-F134 HydrophobicContact CE2-CG 4.28Å; Y130-F134 AromaticContact CE2-CZ 3.9Å; Y130-F134 HydrophobicContact CE2-CZ 3.9Å; Y130-F134 AromaticContact CZ-CD2 3.77Å; Y130-F134 AromaticContact CZ-CE2 3.79Å; Y130-F134 PolarHBondContact O-N 2.84Å; Y130-L204 HydrophobicContact CD2-CD1 3.98Å; Y130-L204 HydrophobicContact CE2-CD1 3.36Å; Y130-L204 HydrophobicContact CE2-CD2 4.23Å; Y130-L204 HydrophobicContact CE2-CG 4.44Å |
| 131 | Y | 86.7 | Confident | 89.9 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.7 | -29.2 | 178.8 | -81.4 | -60.7 | 0 | 0 | 0 | 112 | A33 I75 L76 F81 M127 K133 F134 N135 | A33-Y131 HydrophobicContact CB-CE1 4.38Å; A33-Y131 VanDerWaalsContact O-CE1 3.25Å; A33-Y131 WeakPolarHBondContact O-CE1 3.48Å; A33-Y131 PolarHBondContact O-OH 2.86Å; A33-Y131 VanDerWaalsContact O-OH 3.12Å; I75-Y131 HydrophobicContact CG2-CD1 3.68Å; I75-Y131 HydrophobicContact CG2-CD2 4.27Å; I75-Y131 HydrophobicContact CG2-CE1 4.16Å; I75-Y131 HydrophobicContact CG2-CG 3.71Å; L76-Y131 HydrophobicContact CD2-CD2 3.34Å; L76-Y131 HydrophobicContact CD2-CE2 3.04Å; L76-Y131 HydrophobicContact CD2-CG 4.41Å; L76-Y131 HydrophobicContact CG-CE2 4.4Å; F81-Y131 HydrophobicContact CE2-CD1 4.1Å; F81-Y131 HydrophobicContact CE2-CE1 4.17Å; F81-Y131 AromaticContact CZ-CD1 3.82Å; F81-Y131 HydrophobicContact CZ-CD1 3.82Å; F81-Y131 HydrophobicContact CZ-CE1 4.31Å; M127-Y131 HydrophobicContact CB-CD2 4.13Å; M127-Y131 HydrophobicContact CB-CE2 4.17Å; M127-Y131 HydrophobicContact CG-CE2 4.43Å; M127-Y131 VanDerWaalsContact O-CB 3.31Å; M127-Y131 WeakPolarHBondContact O-CB 3.39Å; M127-Y131 WeakPolarHBondContact O-CD2 3.5Å; M127-Y131 PolarHBondContact O-N 3.48Å; Y131-K133 VanDerWaalsContact C-N 3.34Å; Y131-F134 PolarHBondContact O-N 2.86Å; Y131-N135 WeakPolarHBondContact O-CB 3.32Å; Y131-N135 PolarHBondContact O-N 2.72Å |
| 132 | L | 86.6 | Confident | 89.6 | Confident | 49 Ų | 49 | 19.4 Ų | 19.4 | 26% | 0.257 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 170.4 | -173 | 66.2 | 0 | 0 | 0 | 111 | Q89 S128 D129 Y130 N135 E136 | Q89-L132 WeakPolarHBondContact O-CD1 3.46Å; S128-L132 PolarHBondContact O-N 3.24Å; S128-L132 VanDerWaalsContact O-N 3.14Å; D129-L132 WeakPolarHBondContact O-CB 3.38Å; D129-L132 PolarHBondContact O-N 3.03Å; Y130-L132 PolarHBondContact O-N 2.99Å; L132-N135 PolarHBondContact O-N 2.97Å; L132-E136 WeakPolarHBondContact O-CG 3.25Å; L132-E136 PolarHBondContact O-N 3.21Å |
| 133 | K | 90.9 | Very high | 89.2 | Confident | 34 Ų | 34 | 20 Ų | 20 | 15% | 0.148 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.4 | -62.1 | -52.2 | 176.8 | -164.8 | 0 | 113 | D129 Y130 Y131 N135 E136 M137 F158 F165 Q176 F177 | D129-K133 PolarHBondContact O-N 3.3Å; Y130-K133 WeakPolarHBondContact O-CB 3.46Å; Y130-K133 PolarHBondContact O-N 3.11Å; Y131-K133 VanDerWaalsContact C-N 3.34Å; K133-N135 VanDerWaalsContact C-N 3.27Å; K133-N135 PolarHBondContact O-N 2.9Å; K133-E136 VanDerWaalsContact CD-OE2 3.3Å; K133-E136 WeakPolarHBondContact CD-OE2 3.23Å; K133-E136 IonicContact NZ-OE1 2.7Å; K133-E136 PolarHBondContact NZ-OE1 3.32Å; K133-E136 IonicContact NZ-OE2 3.16Å; K133-E136 PolarHBondContact NZ-OE2 2.89Å; K133-E136 WeakPolarHBondContact O-CB 3.32Å; K133-E136 PolarHBondContact O-N 3.01Å; K133-M137 PolarHBondContact O-N 3.24Å; K133-M137 VanDerWaalsContact O-N 3.07Å; K133-F158 HydrophobicContact CB-CE2 4.05Å; K133-F158 HydrophobicContact CB-CZ 4.18Å; K133-F158 VanDerWaalsContact O-CE2 3.28Å; K133-F158 WeakPolarHBondContact O-CE2 3.46Å; K133-F165 HydrophobicContact CB-CE2 4.3Å; K133-F165 HydrophobicContact CD-CZ 4.2Å; K133-F165 HydrophobicContact CG-CE2 3.98Å; K133-F165 HydrophobicContact CG-CZ 4.14Å; K133-Q176 WeakPolarHBondContact CE-O 3.41Å; K133-F177 HydrophobicContact CG-CE1 4.09Å |
| 134 | F | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 174.2 | -91.6 | -100.5 | 0 | 0 | 0 | 112.2 | Q29 V32 A33 F81 Y130 Y131 M137 N138 F158 L162 L204 | Q29-F134 HydrophobicContact CG-CD1 4.25Å; Q29-F134 PolarHBondContact NE2-O 3.37Å; V32-F134 HydrophobicContact CB-CE1 4.07Å; V32-F134 HydrophobicContact CG1-CE1 3.75Å; V32-F134 HydrophobicContact CG1-CZ 3.74Å; A33-F134 HydrophobicContact CB-CD1 3.56Å; A33-F134 HydrophobicContact CB-CE1 4.03Å; A33-F134 HydrophobicContact CB-CG 4.15Å; F81-F134 HydrophobicContact CE1-CB 4.04Å; F81-F134 HydrophobicContact CZ-CB 4.17Å; Y130-F134 AromaticContact CD2-CD2 3.71Å; Y130-F134 HydrophobicContact CD2-CD2 3.71Å; Y130-F134 AromaticContact CD2-CE2 3.74Å; Y130-F134 HydrophobicContact CD2-CE2 3.74Å; Y130-F134 AromaticContact CE2-CD2 3.24Å; Y130-F134 HydrophobicContact CE2-CD2 3.24Å; Y130-F134 AromaticContact CE2-CE2 3.04Å; Y130-F134 HydrophobicContact CE2-CE2 3.04Å; Y130-F134 HydrophobicContact CE2-CG 4.28Å; Y130-F134 AromaticContact CE2-CZ 3.9Å; Y130-F134 HydrophobicContact CE2-CZ 3.9Å; Y130-F134 AromaticContact CZ-CD2 3.77Å; Y130-F134 AromaticContact CZ-CE2 3.79Å; Y130-F134 PolarHBondContact O-N 2.84Å; Y131-F134 PolarHBondContact O-N 2.86Å; F134-M137 PolarHBondContact O-N 3.01Å; F134-N138 WeakPolarHBondContact O-CB 3.41Å; F134-N138 PolarHBondContact O-N 3.17Å; F134-F158 HydrophobicContact CD2-CE1 4.01Å; F134-F158 AromaticContact CD2-CZ 3.66Å; F134-F158 HydrophobicContact CD2-CZ 3.66Å; F134-F158 HydrophobicContact CE1-CE1 4.21Å; F134-F158 AromaticContact CE2-CE1 3.52Å; F134-F158 HydrophobicContact CE2-CE1 3.52Å; F134-F158 AromaticContact CE2-CZ 3.63Å; F134-F158 HydrophobicContact CE2-CZ 3.63Å; F134-F158 HydrophobicContact CG-CE1 4.5Å; F134-F158 HydrophobicContact CG-CZ 4.18Å; F134-F158 AromaticContact CZ-CE1 3.68Å; F134-F158 HydrophobicContact CZ-CE1 3.68Å; F134-F158 HydrophobicContact CZ-CZ 4.21Å; F134-L162 HydrophobicContact CE2-CD2 4.45Å; F134-L204 HydrophobicContact CZ-CD2 4.31Å |
| 135 | N | 84.6 | Confident | 88 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 175.6 | -177.5 | 70.7 | 0 | 0 | 0 | 112.3 | Q89 Y131 L132 K133 M137 N138 L139 | Q89-N135 WeakPolarHBondContact CA-ND2 3.49Å; Y131-N135 WeakPolarHBondContact O-CB 3.32Å; Y131-N135 PolarHBondContact O-N 2.72Å; L132-N135 PolarHBondContact O-N 2.97Å; K133-N135 VanDerWaalsContact C-N 3.27Å; K133-N135 PolarHBondContact O-N 2.9Å; N135-M137 VanDerWaalsContact C-N 3.31Å; N135-M137 PolarHBondContact O-N 3.44Å; N135-N138 WeakPolarHBondContact O-CB 3.16Å; N135-N138 PolarHBondContact O-N 2.92Å; N135-L139 WeakPolarHBondContact O-CG 3.39Å; N135-L139 PolarHBondContact O-N 3.47Å |
| 136 | E | 88.4 | Confident | 87.8 | Confident | 72 Ų | 72 | 34.8 Ų | 34.8 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -55.7 | -46.7 | 172.2 | -72 | 168.6 | -162.3 | 0 | 0 | 111.1 | L132 K133 L139 Q140 | L132-E136 WeakPolarHBondContact O-CG 3.25Å; L132-E136 PolarHBondContact O-N 3.21Å; K133-E136 VanDerWaalsContact CD-OE2 3.3Å; K133-E136 WeakPolarHBondContact CD-OE2 3.23Å; K133-E136 IonicContact NZ-OE1 2.7Å; K133-E136 PolarHBondContact NZ-OE1 3.32Å; K133-E136 IonicContact NZ-OE2 3.16Å; K133-E136 PolarHBondContact NZ-OE2 2.89Å; K133-E136 WeakPolarHBondContact O-CB 3.32Å; K133-E136 PolarHBondContact O-N 3.01Å; E136-L139 PolarHBondContact O-N 3.48Å; E136-Q140 PolarHBondContact O-N 3.18Å |
| 137 | M | 91.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 174.7 | -174.6 | -160.6 | -180 | 0 | 0 | 111.6 | Q29 K133 F134 N135 L139 Q140 L141 V154 V155 F158 M208 | Q29-M137 HydrophobicContact CG-SD 3.95Å; K133-M137 PolarHBondContact O-N 3.24Å; K133-M137 VanDerWaalsContact O-N 3.07Å; F134-M137 PolarHBondContact O-N 3.01Å; N135-M137 VanDerWaalsContact C-N 3.31Å; N135-M137 PolarHBondContact O-N 3.44Å; M137-L139 VanDerWaalsContact C-N 3.26Å; M137-L139 PolarHBondContact O-N 3.14Å; M137-Q140 WeakPolarHBondContact O-CB 3.16Å; M137-Q140 PolarHBondContact O-N 3.34Å; M137-L141 HydrophobicContact CE-CD1 3.68Å; M137-L141 HydrophobicContact CE-CG 4.46Å; M137-L141 HydrophobicContact CG-CD1 4.16Å; M137-L141 HydrophobicContact CG-CG 4.37Å; M137-L141 WeakPolarHBondContact O-CG 3.32Å; M137-L141 PolarHBondContact O-N 3.38Å; M137-L141 HydrophobicContact SD-CD1 4.31Å; M137-V154 HydrophobicContact CG-CG1 3.95Å; M137-V155 HydrophobicContact CE-CB 4.28Å; M137-V155 HydrophobicContact CE-CG2 3.71Å; M137-F158 HydrophobicContact CB-CD2 3.67Å; M137-F158 HydrophobicContact CB-CE2 3.84Å; M137-F158 HydrophobicContact CB-CG 4.19Å; M137-F158 HydrophobicContact CB-CZ 4.48Å; M137-F158 HydrophobicContact CE-CB 4.22Å; M137-F158 HydrophobicContact CE-CG 4.45Å; M137-F158 HydrophobicContact CG-CB 4.18Å; M137-F158 HydrophobicContact CG-CD2 3.96Å; M137-F158 HydrophobicContact CG-CG 3.97Å; M137-F158 HydrophobicContact SD-CB 4.01Å; M137-F158 HydrophobicContact SD-CD1 3.68Å; M137-F158 HydrophobicContact SD-CD2 4.11Å; M137-F158 HydrophobicContact SD-CE1 4.13Å; M137-F158 HydrophobicContact SD-CG 3.64Å; M137-M208 HydrophobicContact CE-CE 3.5Å; M137-M208 VanDerWaalsContact CE-CE 3.5Å; M137-M208 HydrophobicContact SD-CE 4.02Å |
| 138 | N | 87.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.6 | -39 | 179.8 | -175.1 | 45.9 | 0 | 0 | 0 | 112 | I26 F81 F134 N135 Q140 L141 Q142 | I26-N138 WeakPolarHBondContact CD1-OD1 3.29Å; F81-N138 HydrophobicContact CD1-CB 4.27Å; F81-N138 PolarHBondContact O-ND2 3.43Å; F81-N138 PolarHBondContact O-OD1 3.03Å; F134-N138 WeakPolarHBondContact O-CB 3.41Å; F134-N138 PolarHBondContact O-N 3.17Å; N135-N138 WeakPolarHBondContact O-CB 3.16Å; N135-N138 PolarHBondContact O-N 2.92Å; N138-Q140 VanDerWaalsContact C-N 3.33Å; N138-Q140 PolarHBondContact O-N 3.26Å; N138-L141 CarbonylContact O-C 3.55Å; N138-L141 PolarHBondContact O-N 2.83Å; N138-Q142 PolarHBondContact ND2-NE2 3.31Å; N138-Q142 VanDerWaalsContact ND2-NE2 3.11Å; N138-Q142 WeakPolarHBondContact O-CB 3.35Å; N138-Q142 VanDerWaalsContact O-CG 3.31Å; N138-Q142 WeakPolarHBondContact O-CG 3.24Å; N138-Q142 PolarHBondContact O-N 3.44Å; N138-Q142 PolarHBondContact OD1-NE2 3.17Å |
| 139 | L | 86.4 | Confident | 87.8 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 176.3 | -68.3 | 172.7 | 0 | 0 | 0 | 112.3 | Q89 N135 E136 M137 Q142 G143 | Q89-L139 HydrophobicContact CG-CD1 4.25Å; Q89-L139 HydrophobicContact CG-CD2 4.47Å; Q89-L139 VanDerWaalsContact NE2-CD2 3.28Å; N135-L139 WeakPolarHBondContact O-CG 3.39Å; N135-L139 PolarHBondContact O-N 3.47Å; E136-L139 PolarHBondContact O-N 3.48Å; M137-L139 VanDerWaalsContact C-N 3.26Å; M137-L139 PolarHBondContact O-N 3.14Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-G143 PolarHBondContact O-N 3.09Å |
| 140 | Q | 91.1 | Very high | 88 | Confident | 99 Ų | 99 | 44.2 Ų | 44.2 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.8 | -63.8 | 176.5 | 26 | 0 | 0 | 110.8 | E136 M137 N138 Q142 G143 V154 | E136-Q140 PolarHBondContact O-N 3.18Å; M137-Q140 WeakPolarHBondContact O-CB 3.16Å; M137-Q140 PolarHBondContact O-N 3.34Å; N138-Q140 VanDerWaalsContact C-N 3.33Å; N138-Q140 PolarHBondContact O-N 3.26Å; Q140-Q142 PolarHBondContact O-N 2.86Å; Q140-G143 PolarHBondContact O-N 3.46Å; Q140-V154 HydrophobicContact CB-CG1 3.85Å; Q140-V154 HydrophobicContact CB-CG2 3.92Å |
| 141 | L | 90.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -12.8 | 177.9 | -65.4 | -178.5 | 0 | 0 | 0 | 114.4 | V25 I26 Q29 M137 N138 L146 T151 V154 V155 | V25-L141 HydrophobicContact CG1-CD1 3.62Å; V25-L141 HydrophobicContact CG1-CD2 3.84Å; V25-L141 HydrophobicContact CG1-CG 4.22Å; I26-L141 HydrophobicContact CD1-CB 3.49Å; I26-L141 VanDerWaalsContact CD1-CB 3.49Å; I26-L141 HydrophobicContact CD1-CD1 4.44Å; Q29-L141 HydrophobicContact CB-CD1 4.22Å; Q29-L141 HydrophobicContact CG-CD1 4.34Å; M137-L141 HydrophobicContact CE-CD1 3.68Å; M137-L141 HydrophobicContact CE-CG 4.46Å; M137-L141 HydrophobicContact CG-CD1 4.16Å; M137-L141 HydrophobicContact CG-CG 4.37Å; M137-L141 WeakPolarHBondContact O-CG 3.32Å; M137-L141 PolarHBondContact O-N 3.38Å; M137-L141 HydrophobicContact SD-CD1 4.31Å; N138-L141 CarbonylContact O-C 3.55Å; N138-L141 PolarHBondContact O-N 2.83Å; L141-L146 HydrophobicContact CD2-CD1 4.41Å; L141-L146 WeakPolarHBondContact O-CD2 3.33Å; L141-T151 HydrophobicContact CD2-CG2 4.07Å; L141-V154 HydrophobicContact CD2-CB 3.95Å; L141-V154 HydrophobicContact CD2-CG1 3.62Å; L141-V154 HydrophobicContact CG-CG1 3.94Å; L141-V155 HydrophobicContact CD2-CG2 4.44Å |
| 142 | Q | 86 | Confident | 88.6 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -0.6 | 174.8 | -69.9 | -176.5 | 18.6 | 0 | 0 | 112.6 | I26 F81 R84 N138 L139 Q140 | I26-Q142 HydrophobicContact CD1-CG 3.62Å; I26-Q142 HydrophobicContact CG1-CG 4.28Å; F81-Q142 PolarHBondContact O-NE2 3.04Å; F81-Q142 VanDerWaalsContact O-NE2 3.07Å; R84-Q142 VanDerWaalsContact CB-OE1 3.32Å; R84-Q142 PolarHBondContact NH1-O 3.16Å; R84-Q142 PolarHBondContact NH2-O 3.14Å; N138-Q142 PolarHBondContact ND2-NE2 3.31Å; N138-Q142 VanDerWaalsContact ND2-NE2 3.11Å; N138-Q142 WeakPolarHBondContact O-CB 3.35Å; N138-Q142 VanDerWaalsContact O-CG 3.31Å; N138-Q142 WeakPolarHBondContact O-CG 3.24Å; N138-Q142 PolarHBondContact O-N 3.44Å; N138-Q142 PolarHBondContact OD1-NE2 3.17Å; L139-Q142 PolarHBondContact O-N 3.04Å; Q140-Q142 PolarHBondContact O-N 2.86Å |
| 143 | G | 85.1 | Confident | 89.1 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | trans | -57.7 | 142.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L139 Q140 Q145 L146 | L139-G143 PolarHBondContact O-N 3.09Å; Q140-G143 PolarHBondContact O-N 3.46Å; G143-Q145 PolarHBondContact O-N 3.23Å; G143-L146 VanDerWaalsContact O-CB 3.3Å; G143-L146 WeakPolarHBondContact O-CB 3.16Å; G143-L146 PolarHBondContact O-N 2.68Å; G143-L146 VanDerWaalsContact O-N 3.08Å | ||
| 144 | D | 79.1 | Confident | 89.3 | Confident | 130 Ų | 130 | 47.8 Ų | 47.8 | 70% | 0.695 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14 | -172.7 | -55.1 | -21 | 0 | 0 | 0 | 113.2 | R84 | R84-D144 IonicContact CZ-OD1 2.68Å; R84-D144 VanDerWaalsContact CZ-OD1 3.27Å; R84-D144 IonicContact NH1-OD1 2.92Å; R84-D144 PolarHBondContact NH1-OD1 3.05Å; R84-D144 IonicContact NH2-OD1 2.63Å; R84-D144 PolarHBondContact NH2-OD1 2.86Å |
| 145 | Q | 80.7 | Confident | 89.7 | Confident | 128 Ų | 128 | 47.8 Ų | 47.8 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 18.4 | 179.9 | -62.8 | -62.6 | -34.9 | 0 | 0 | 112.4 | G143 K150 | G143-Q145 PolarHBondContact O-N 3.23Å; Q145-K150 WeakPolarHBondContact O-CD 3.31Å; Q145-K150 PolarHBondContact O-NZ 2.92Å |
| 146 | L | 87.1 | Confident | 90.3 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | trans | -72 | 128.7 | -178.3 | -165 | 84.3 | 0 | 0 | 0 | 111 | L141 G143 K150 T151 | L141-L146 HydrophobicContact CD2-CD1 4.41Å; L141-L146 WeakPolarHBondContact O-CD2 3.33Å; G143-L146 VanDerWaalsContact O-CB 3.3Å; G143-L146 WeakPolarHBondContact O-CB 3.16Å; G143-L146 PolarHBondContact O-N 2.68Å; G143-L146 VanDerWaalsContact O-N 3.08Å; L146-K150 HydrophobicContact CD1-CB 4.27Å; L146-T151 WeakPolarHBondContact CD2-OG1 3.3Å; L146-T151 WeakPolarHBondContact CG-OG1 3.49Å | ||
| 147 | N | 89.4 | Confident | 90.8 | Very high | 39 Ų | 39 | 50 Ų | 50 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | trans | -127.8 | 175.9 | 168.1 | 61.9 | 34.1 | 0 | 0 | 0 | 109 | I149 K150 T151 Y259 T260 | N147-I149 VanDerWaalsContact C-N 3.27Å; N147-I149 PolarHBondContact O-N 3.33Å; N147-I149 WeakPolarHBondContact OD1-CB 3.33Å; N147-I149 PolarHBondContact OD1-N 2.91Å; N147-K150 PolarHBondContact O-N 3.26Å; N147-K150 WeakPolarHBondContact OD1-CG 3.02Å; N147-K150 PolarHBondContact OD1-N 3.38Å; N147-T151 WeakPolarHBondContact O-CB 3.4Å; N147-T151 PolarHBondContact O-N 2.96Å; N147-T151 PolarHBondContact O-OG1 3.01Å; N147-Y259 PolarHBondContact ND2-OH 2.99Å; N147-T260 PolarHBondContact ND2-OG1 3.27Å; N147-T260 VanDerWaalsContact ND2-OG1 3.16Å | ||
| 148 | L | 90.9 | Very high | 91 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.3 | -34 | -178 | -72.3 | 175.7 | 0 | 0 | 0 | 112.8 | V22 T151 K152 M218 | V22-L148 HydrophobicContact CB-CD2 4.45Å; V22-L148 HydrophobicContact CG1-CD2 4.39Å; V22-L148 HydrophobicContact CG2-CD1 4.42Å; V22-L148 HydrophobicContact CG2-CD2 4.04Å; L148-T151 WeakPolarHBondContact O-CB 3.4Å; L148-T151 PolarHBondContact O-N 3.47Å; L148-K152 PolarHBondContact O-N 3.24Å; L148-M218 HydrophobicContact CB-CE 3.86Å; L148-M218 HydrophobicContact CB-SD 3.94Å; L148-M218 HydrophobicContact CD1-SD 4.14Å |
| 149 | I | 92.1 | Very high | 91.5 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -53.8 | 177.1 | -62.5 | 172.6 | 0 | 0 | 0 | 110.1 | N147 T151 K152 T153 I220 V224 L225 Y259 | N147-I149 VanDerWaalsContact C-N 3.27Å; N147-I149 PolarHBondContact O-N 3.33Å; N147-I149 WeakPolarHBondContact OD1-CB 3.33Å; N147-I149 PolarHBondContact OD1-N 2.91Å; I149-T151 VanDerWaalsContact C-N 3.28Å; I149-T151 PolarHBondContact O-N 3.37Å; I149-K152 WeakPolarHBondContact O-CB 3.11Å; I149-K152 PolarHBondContact O-N 3.44Å; I149-K152 VanDerWaalsContact O-N 3.16Å; I149-T153 PolarHBondContact O-N 3.44Å; I149-T153 PolarHBondContact O-OG1 3.05Å; I149-I220 HydrophobicContact CB-CD1 4.14Å; I149-I220 HydrophobicContact CD1-CG2 3.8Å; I149-I220 HydrophobicContact CG1-CD1 3.81Å; I149-I220 HydrophobicContact CG1-CG1 4.04Å; I149-I220 HydrophobicContact CG1-CG2 4.04Å; I149-I220 HydrophobicContact CG2-CD1 3.89Å; I149-V224 HydrophobicContact CD1-CG1 4.07Å; I149-L225 HydrophobicContact CD1-CD2 3.9Å; I149-L225 HydrophobicContact CG2-CD2 4.32Å; I149-Y259 HydrophobicContact CD1-CE2 3.88Å |
| 150 | K | 93.1 | Very high | 92 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 176.6 | -70 | 176.7 | -172.2 | 171.9 | 0 | 111.8 | Q145 L146 N147 T153 V154 | Q145-K150 WeakPolarHBondContact O-CD 3.31Å; Q145-K150 PolarHBondContact O-NZ 2.92Å; L146-K150 HydrophobicContact CD1-CB 4.27Å; N147-K150 PolarHBondContact O-N 3.26Å; N147-K150 WeakPolarHBondContact OD1-CG 3.02Å; N147-K150 PolarHBondContact OD1-N 3.38Å; K150-T153 WeakPolarHBondContact O-CB 3.31Å; K150-T153 PolarHBondContact O-N 3.2Å; K150-V154 VanDerWaalsContact O-CG2 3.29Å; K150-V154 WeakPolarHBondContact O-CG2 3.25Å; K150-V154 PolarHBondContact O-N 3.24Å |
| 151 | T | 94.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.9 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | V25 L141 L146 N147 L148 I149 T153 V154 V155 I215 | V25-T151 HydrophobicContact CB-CG2 4.23Å; V25-T151 HydrophobicContact CG1-CG2 3.55Å; V25-T151 HydrophobicContact CG2-CG2 3.67Å; L141-T151 HydrophobicContact CD2-CG2 4.07Å; L146-T151 WeakPolarHBondContact CD2-OG1 3.3Å; L146-T151 WeakPolarHBondContact CG-OG1 3.49Å; N147-T151 WeakPolarHBondContact O-CB 3.4Å; N147-T151 PolarHBondContact O-N 2.96Å; N147-T151 PolarHBondContact O-OG1 3.01Å; L148-T151 WeakPolarHBondContact O-CB 3.4Å; L148-T151 PolarHBondContact O-N 3.47Å; I149-T151 VanDerWaalsContact C-N 3.28Å; I149-T151 PolarHBondContact O-N 3.37Å; T151-T153 VanDerWaalsContact C-N 3.31Å; T151-T153 PolarHBondContact O-N 2.92Å; T151-V154 PolarHBondContact O-N 3.49Å; T151-V155 HydrophobicContact CG2-CG2 4.21Å; T151-V155 WeakPolarHBondContact O-CB 3.17Å; T151-V155 VanDerWaalsContact O-CG2 3.26Å; T151-V155 WeakPolarHBondContact O-CG2 3.42Å; T151-V155 PolarHBondContact O-N 3.21Å; T151-I215 HydrophobicContact CG2-CD1 3.82Å; T151-I215 HydrophobicContact CG2-CG2 4.33Å |
| 152 | K | 95.6 | Very high | 92.6 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 22% | 0.222 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 175.8 | 177.1 | 175.7 | 172.3 | 150.5 | 0 | 111.1 | L148 I149 K156 I215 L216 M218 I220 | L148-K152 PolarHBondContact O-N 3.24Å; I149-K152 WeakPolarHBondContact O-CB 3.11Å; I149-K152 PolarHBondContact O-N 3.44Å; I149-K152 VanDerWaalsContact O-N 3.16Å; K152-K156 WeakPolarHBondContact O-CB 3.28Å; K152-K156 PolarHBondContact O-N 3.34Å; K152-I215 HydrophobicContact CB-CG2 3.74Å; K152-I215 VanDerWaalsContact CD-O 3.32Å; K152-I215 WeakPolarHBondContact CD-O 3.49Å; K152-I215 HydrophobicContact CG-CG2 4.41Å; K152-I215 WeakPolarHBondContact CG-O 3.21Å; K152-L216 WeakPolarHBondContact CE-O 3.4Å; K152-L216 PolarHBondContact NZ-O 2.95Å; K152-M218 HydrophobicContact CB-CE 4.37Å; K152-M218 HydrophobicContact CD-CE 4.33Å; K152-M218 PolarHBondContact NZ-O 2.84Å; K152-I220 HydrophobicContact CD-CD1 3.97Å |
| 153 | T | 95.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 55% | 0.546 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 177.2 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | I149 K150 T151 V155 K156 A157 | I149-T153 PolarHBondContact O-N 3.44Å; I149-T153 PolarHBondContact O-OG1 3.05Å; K150-T153 WeakPolarHBondContact O-CB 3.31Å; K150-T153 PolarHBondContact O-N 3.2Å; T151-T153 VanDerWaalsContact C-N 3.31Å; T151-T153 PolarHBondContact O-N 2.92Å; T153-V155 PolarHBondContact O-N 2.63Å; T153-K156 PolarHBondContact O-N 3.12Å; T153-A157 VanDerWaalsContact O-CB 3.26Å; T153-A157 WeakPolarHBondContact O-CB 3.23Å; T153-A157 PolarHBondContact O-N 2.83Å |
| 154 | V | 96.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | -178.9 | 171.1 | 0 | 0 | 0 | 0 | 111 | M137 Q140 L141 K150 T151 F158 | M137-V154 HydrophobicContact CG-CG1 3.95Å; Q140-V154 HydrophobicContact CB-CG1 3.85Å; Q140-V154 HydrophobicContact CB-CG2 3.92Å; L141-V154 HydrophobicContact CD2-CB 3.95Å; L141-V154 HydrophobicContact CD2-CG1 3.62Å; L141-V154 HydrophobicContact CG-CG1 3.94Å; K150-V154 VanDerWaalsContact O-CG2 3.29Å; K150-V154 WeakPolarHBondContact O-CG2 3.25Å; K150-V154 PolarHBondContact O-N 3.24Å; T151-V154 PolarHBondContact O-N 3.49Å; V154-F158 WeakPolarHBondContact O-CB 3.47Å; V154-F158 PolarHBondContact O-N 2.97Å |
| 155 | V | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -49.5 | 179.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | M137 L141 T151 T153 A157 F158 I159 M208 Y212 L216 | M137-V155 HydrophobicContact CE-CB 4.28Å; M137-V155 HydrophobicContact CE-CG2 3.71Å; L141-V155 HydrophobicContact CD2-CG2 4.44Å; T151-V155 HydrophobicContact CG2-CG2 4.21Å; T151-V155 WeakPolarHBondContact O-CB 3.17Å; T151-V155 VanDerWaalsContact O-CG2 3.26Å; T151-V155 WeakPolarHBondContact O-CG2 3.42Å; T151-V155 PolarHBondContact O-N 3.21Å; T153-V155 PolarHBondContact O-N 2.63Å; V155-A157 PolarHBondContact O-N 2.92Å; V155-F158 PolarHBondContact O-N 2.88Å; V155-F158 VanDerWaalsContact O-N 3.17Å; V155-I159 HydrophobicContact CG1-CD1 3.83Å; V155-I159 HydrophobicContact CG1-CG1 4.43Å; V155-I159 WeakPolarHBondContact O-CG1 3.21Å; V155-I159 PolarHBondContact O-N 3.29Å; V155-M208 HydrophobicContact CG1-CE 4.23Å; V155-Y212 HydrophobicContact CB-CD1 4.41Å; V155-Y212 HydrophobicContact CG1-CD1 3.79Å; V155-Y212 HydrophobicContact CG1-CD2 3.99Å; V155-Y212 HydrophobicContact CG1-CE1 4.35Å; V155-Y212 HydrophobicContact CG1-CG 3.56Å; V155-Y212 HydrophobicContact CG2-CD1 3.79Å; V155-Y212 HydrophobicContact CG2-CE1 3.68Å; V155-Y212 HydrophobicContact CG2-CG 4.37Å; V155-L216 HydrophobicContact CG1-CD2 4.21Å |
| 156 | K | 97.6 | Very high | 94.7 | Very high | 94 Ų | 94 | 42.4 Ų | 42.4 | 41% | 0.409 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 179.7 | -179.2 | 62 | 170.4 | 76.7 | 0 | 111.4 | K152 T153 F158 I159 D160 L216 | K152-K156 WeakPolarHBondContact O-CB 3.28Å; K152-K156 PolarHBondContact O-N 3.34Å; T153-K156 PolarHBondContact O-N 3.12Å; K156-F158 VanDerWaalsContact C-N 3.25Å; K156-F158 PolarHBondContact O-N 3.13Å; K156-I159 PolarHBondContact O-N 2.9Å; K156-D160 IonicContact NZ-OD1 3.11Å; K156-D160 PolarHBondContact NZ-OD1 3.12Å; K156-D160 IonicContact NZ-OD2 3.47Å; K156-D160 PolarHBondContact NZ-OD2 2.76Å; K156-D160 VanDerWaalsContact O-CG 3.27Å; K156-D160 PolarHBondContact O-N 3.35Å; K156-L216 HydrophobicContact CB-CD2 4.08Å; K156-L216 HydrophobicContact CD-CD2 4.09Å |
| 157 | A | 97.9 | Very high | 95 | Very high | 41 Ų | 41 | 45 Ų | 45 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.4 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T153 V155 K161 | T153-A157 VanDerWaalsContact O-CB 3.26Å; T153-A157 WeakPolarHBondContact O-CB 3.23Å; T153-A157 PolarHBondContact O-N 2.83Å; V155-A157 PolarHBondContact O-N 2.92Å; A157-K161 WeakPolarHBondContact O-CB 3.5Å; A157-K161 WeakPolarHBondContact O-CG 3.46Å; A157-K161 PolarHBondContact O-N 2.95Å; A157-K161 VanDerWaalsContact O-N 3.09Å |
| 158 | F | 97.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.5 | -40.9 | 176.4 | -165.4 | -93.9 | 0 | 0 | 0 | 112.5 | K133 F134 M137 V154 V155 K156 D160 K161 L162 M208 | K133-F158 HydrophobicContact CB-CE2 4.05Å; K133-F158 HydrophobicContact CB-CZ 4.18Å; K133-F158 VanDerWaalsContact O-CE2 3.28Å; K133-F158 WeakPolarHBondContact O-CE2 3.46Å; F134-F158 HydrophobicContact CD2-CE1 4.01Å; F134-F158 AromaticContact CD2-CZ 3.66Å; F134-F158 HydrophobicContact CD2-CZ 3.66Å; F134-F158 HydrophobicContact CE1-CE1 4.21Å; F134-F158 AromaticContact CE2-CE1 3.52Å; F134-F158 HydrophobicContact CE2-CE1 3.52Å; F134-F158 AromaticContact CE2-CZ 3.63Å; F134-F158 HydrophobicContact CE2-CZ 3.63Å; F134-F158 HydrophobicContact CG-CE1 4.5Å; F134-F158 HydrophobicContact CG-CZ 4.18Å; F134-F158 AromaticContact CZ-CE1 3.68Å; F134-F158 HydrophobicContact CZ-CE1 3.68Å; F134-F158 HydrophobicContact CZ-CZ 4.21Å; M137-F158 HydrophobicContact CB-CD2 3.67Å; M137-F158 HydrophobicContact CB-CE2 3.84Å; M137-F158 HydrophobicContact CB-CG 4.19Å; M137-F158 HydrophobicContact CB-CZ 4.48Å; M137-F158 HydrophobicContact CE-CB 4.22Å; M137-F158 HydrophobicContact CE-CG 4.45Å; M137-F158 HydrophobicContact CG-CB 4.18Å; M137-F158 HydrophobicContact CG-CD2 3.96Å; M137-F158 HydrophobicContact CG-CG 3.97Å; M137-F158 HydrophobicContact SD-CB 4.01Å; M137-F158 HydrophobicContact SD-CD1 3.68Å; M137-F158 HydrophobicContact SD-CD2 4.11Å; M137-F158 HydrophobicContact SD-CE1 4.13Å; M137-F158 HydrophobicContact SD-CG 3.64Å; V154-F158 WeakPolarHBondContact O-CB 3.47Å; V154-F158 PolarHBondContact O-N 2.97Å; V155-F158 PolarHBondContact O-N 2.88Å; V155-F158 VanDerWaalsContact O-N 3.17Å; K156-F158 VanDerWaalsContact C-N 3.25Å; K156-F158 PolarHBondContact O-N 3.13Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-D160 PolarHBondContact O-N 3.05Å; F158-K161 WeakPolarHBondContact O-CB 3.25Å; F158-K161 PolarHBondContact O-N 3.37Å; F158-L162 HydrophobicContact CD1-CD1 4.24Å; F158-L162 HydrophobicContact CD1-CG 4.25Å; F158-L162 HydrophobicContact CE1-CD1 4.17Å; F158-L162 HydrophobicContact CE1-CD2 3.95Å; F158-L162 HydrophobicContact CE1-CG 4.08Å; F158-L162 HydrophobicContact CZ-CD2 4.44Å; F158-L162 WeakPolarHBondContact O-CG 3.44Å; F158-L162 PolarHBondContact O-N 3.36Å; F158-M208 HydrophobicContact CD1-CE 4.05Å |
| 159 | I | 97.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 174.2 | -70.7 | 173.2 | 0 | 0 | 0 | 110.3 | V155 K156 K161 L162 A163 H205 M208 L216 | V155-I159 HydrophobicContact CG1-CD1 3.83Å; V155-I159 HydrophobicContact CG1-CG1 4.43Å; V155-I159 WeakPolarHBondContact O-CG1 3.21Å; V155-I159 PolarHBondContact O-N 3.29Å; K156-I159 PolarHBondContact O-N 2.9Å; I159-K161 VanDerWaalsContact C-N 3.27Å; I159-K161 PolarHBondContact O-N 3.05Å; I159-L162 WeakPolarHBondContact O-CB 3.2Å; I159-L162 PolarHBondContact O-N 2.93Å; I159-A163 PolarHBondContact O-N 3.02Å; I159-H205 VanDerWaalsContact CG2-CD2 3.46Å; I159-H205 WeakPolarHBondContact CG2-CD2 3.43Å; I159-H205 WeakPolarHBondContact CG2-NE2 3.33Å; I159-H205 PolarHBondContact O-CD2 3.36Å; I159-M208 HydrophobicContact CD1-CB 3.85Å; I159-M208 HydrophobicContact CG1-CB 3.64Å; I159-M208 HydrophobicContact CG1-CE 4.1Å; I159-M208 HydrophobicContact CG1-CG 4.36Å; I159-L216 HydrophobicContact CD1-CD1 3.65Å; I159-L216 HydrophobicContact CD1-CD2 4.15Å; I159-L216 HydrophobicContact CD1-CG 4.43Å |
| 160 | D | 97.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 178.5 | -63.8 | -21.3 | 0 | 0 | 0 | 111.8 | K156 F158 L162 A163 I164 | K156-D160 IonicContact NZ-OD1 3.11Å; K156-D160 PolarHBondContact NZ-OD1 3.12Å; K156-D160 IonicContact NZ-OD2 3.47Å; K156-D160 PolarHBondContact NZ-OD2 2.76Å; K156-D160 VanDerWaalsContact O-CG 3.27Å; K156-D160 PolarHBondContact O-N 3.35Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-D160 PolarHBondContact O-N 3.05Å; D160-L162 VanDerWaalsContact C-N 3.33Å; D160-L162 PolarHBondContact O-N 2.94Å; D160-A163 PolarHBondContact O-N 3.42Å; D160-I164 PolarHBondContact O-N 3.22Å |
| 161 | K | 96.8 | Very high | 94.6 | Very high | 90 Ų | 90 | 45.8 Ų | 45.8 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 173.8 | -77 | 169.9 | -176.4 | 178.7 | 0 | 112.7 | A157 F158 I159 A163 I164 F165 | A157-K161 WeakPolarHBondContact O-CB 3.5Å; A157-K161 WeakPolarHBondContact O-CG 3.46Å; A157-K161 PolarHBondContact O-N 2.95Å; A157-K161 VanDerWaalsContact O-N 3.09Å; F158-K161 WeakPolarHBondContact O-CB 3.25Å; F158-K161 PolarHBondContact O-N 3.37Å; I159-K161 VanDerWaalsContact C-N 3.27Å; I159-K161 PolarHBondContact O-N 3.05Å; K161-A163 VanDerWaalsContact C-N 3.29Å; K161-A163 PolarHBondContact O-N 2.95Å; K161-I164 PolarHBondContact O-N 3.41Å; K161-F165 HydrophobicContact CB-CE1 4.1Å; K161-F165 HydrophobicContact CB-CE2 4.07Å; K161-F165 HydrophobicContact CB-CZ 3.78Å; K161-F165 HydrophobicContact CD-CZ 4.46Å; K161-F165 HydrophobicContact CG-CZ 4.41Å; K161-F165 WeakPolarHBondContact O-CB 3.47Å; K161-F165 WeakPolarHBondContact O-CD1 3.41Å; K161-F165 WeakPolarHBondContact O-CD2 3.35Å; K161-F165 WeakPolarHBondContact O-CG 3.48Å; K161-F165 PolarHBondContact O-N 3.45Å |
| 162 | L | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.4 | -67.2 | 172 | 0 | 0 | 0 | 111.6 | F134 F158 I159 D160 F165 G166 F201 L204 H205 M208 | F134-L162 HydrophobicContact CE2-CD2 4.45Å; F158-L162 HydrophobicContact CD1-CD1 4.24Å; F158-L162 HydrophobicContact CD1-CG 4.25Å; F158-L162 HydrophobicContact CE1-CD1 4.17Å; F158-L162 HydrophobicContact CE1-CD2 3.95Å; F158-L162 HydrophobicContact CE1-CG 4.08Å; F158-L162 HydrophobicContact CZ-CD2 4.44Å; F158-L162 WeakPolarHBondContact O-CG 3.44Å; F158-L162 PolarHBondContact O-N 3.36Å; I159-L162 WeakPolarHBondContact O-CB 3.2Å; I159-L162 PolarHBondContact O-N 2.93Å; D160-L162 VanDerWaalsContact C-N 3.33Å; D160-L162 PolarHBondContact O-N 2.94Å; L162-F165 HydrophobicContact CD2-CD2 4.24Å; L162-F165 PolarHBondContact O-N 2.86Å; L162-G166 PolarHBondContact O-N 3.26Å; L162-F201 HydrophobicContact CD2-CD1 3.87Å; L162-F201 HydrophobicContact CD2-CE1 4.31Å; L162-L204 HydrophobicContact CD1-CB 4.1Å; L162-H205 HydrophobicContact CB-CB 4.29Å; L162-H205 HydrophobicContact CD1-CB 4.46Å; L162-M208 HydrophobicContact CD1-CG 4.09Å |
| 163 | A | 93.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I159 D160 K161 F165 G166 Q167 | I159-A163 PolarHBondContact O-N 3.02Å; D160-A163 PolarHBondContact O-N 3.42Å; K161-A163 VanDerWaalsContact C-N 3.29Å; K161-A163 PolarHBondContact O-N 2.95Å; A163-F165 VanDerWaalsContact C-N 3.32Å; A163-F165 PolarHBondContact O-N 3.09Å; A163-G166 PolarHBondContact O-N 2.98Å; A163-Q167 WeakPolarHBondContact O-CG 3.38Å; A163-Q167 PolarHBondContact O-N 3.34Å |
| 164 | I | 94.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 177.1 | -63.8 | 169.8 | 0 | 0 | 0 | 110.9 | D160 K161 G166 Q167 N168 | D160-I164 PolarHBondContact O-N 3.22Å; K161-I164 PolarHBondContact O-N 3.41Å; I164-G166 VanDerWaalsContact C-N 3.31Å; I164-G166 PolarHBondContact O-N 3.3Å; I164-Q167 PolarHBondContact O-N 2.98Å; I164-N168 VanDerWaalsContact O-CB 3.3Å; I164-N168 WeakPolarHBondContact O-CB 3.47Å; I164-N168 VanDerWaalsContact O-CG 3.27Å; I164-N168 PolarHBondContact O-N 2.96Å; I164-N168 PolarHBondContact O-OD1 3.13Å |
| 165 | F | 95.3 | Very high | 91.8 | Very high | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 178.6 | -67.4 | -14.7 | 0 | 0 | 0 | 112.4 | K133 K161 L162 A163 L169 Q176 F177 F201 | K133-F165 HydrophobicContact CB-CE2 4.3Å; K133-F165 HydrophobicContact CD-CZ 4.2Å; K133-F165 HydrophobicContact CG-CE2 3.98Å; K133-F165 HydrophobicContact CG-CZ 4.14Å; K161-F165 HydrophobicContact CB-CE1 4.1Å; K161-F165 HydrophobicContact CB-CE2 4.07Å; K161-F165 HydrophobicContact CB-CZ 3.78Å; K161-F165 HydrophobicContact CD-CZ 4.46Å; K161-F165 HydrophobicContact CG-CZ 4.41Å; K161-F165 WeakPolarHBondContact O-CB 3.47Å; K161-F165 WeakPolarHBondContact O-CD1 3.41Å; K161-F165 WeakPolarHBondContact O-CD2 3.35Å; K161-F165 WeakPolarHBondContact O-CG 3.48Å; K161-F165 PolarHBondContact O-N 3.45Å; L162-F165 HydrophobicContact CD2-CD2 4.24Å; L162-F165 PolarHBondContact O-N 2.86Å; A163-F165 VanDerWaalsContact C-N 3.32Å; A163-F165 PolarHBondContact O-N 3.09Å; F165-L169 WeakPolarHBondContact O-CB 3.44Å; F165-L169 PolarHBondContact O-N 3.31Å; F165-L169 VanDerWaalsContact O-N 3.11Å; F165-Q176 HydrophobicContact CD1-CG 3.8Å; F165-Q176 HydrophobicContact CE1-CB 4.3Å; F165-Q176 HydrophobicContact CE1-CG 3.88Å; F165-F177 HydrophobicContact CB-CE2 4.08Å; F165-F177 HydrophobicContact CB-CZ 3.77Å; F165-F177 HydrophobicContact CD1-CZ 4.03Å; F165-F177 HydrophobicContact CD2-CE1 4.38Å; F165-F177 AromaticContact CD2-CZ 3.8Å; F165-F177 HydrophobicContact CD2-CZ 3.8Å; F165-F177 HydrophobicContact CE2-CZ 4.39Å; F165-F177 HydrophobicContact CG-CE1 4.46Å; F165-F177 HydrophobicContact CG-CE2 4.27Å; F165-F177 AromaticContact CG-CZ 3.59Å; F165-F177 HydrophobicContact CG-CZ 3.59Å; F165-F201 HydrophobicContact CB-CD1 4.22Å; F165-F201 HydrophobicContact CB-CD2 4.13Å; F165-F201 HydrophobicContact CB-CE1 4.03Å; F165-F201 HydrophobicContact CB-CE2 3.92Å; F165-F201 HydrophobicContact CB-CG 4.28Å; F165-F201 HydrophobicContact CB-CZ 3.89Å; F165-F201 HydrophobicContact CD2-CD1 4.5Å; F165-F201 AromaticContact CD2-CE1 4Å; F165-F201 HydrophobicContact CD2-CE1 4Å; F165-F201 HydrophobicContact CD2-CZ 4.38Å |
| 166 | G | 92.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -52.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L162 A163 I164 N168 L169 E170 | L162-G166 PolarHBondContact O-N 3.26Å; A163-G166 PolarHBondContact O-N 2.98Å; I164-G166 VanDerWaalsContact C-N 3.31Å; I164-G166 PolarHBondContact O-N 3.3Å; G166-N168 PolarHBondContact O-N 2.74Å; G166-L169 WeakPolarHBondContact O-CB 3.5Å; G166-L169 PolarHBondContact O-N 3.48Å; G166-E170 PolarHBondContact O-N 3.32Å; G166-E170 VanDerWaalsContact O-N 3.1Å |
| 167 | Q | 92.7 | Very high | 91 | Very high | 115 Ų | 115 | 53 Ų | 53 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | -178.9 | -68 | 171.9 | 0 | 0 | 0 | 112.9 | A163 I164 L169 E170 S171 | A163-Q167 WeakPolarHBondContact O-CG 3.38Å; A163-Q167 PolarHBondContact O-N 3.34Å; I164-Q167 PolarHBondContact O-N 2.98Å; Q167-L169 VanDerWaalsContact C-N 3.29Å; Q167-L169 PolarHBondContact O-N 3.04Å; Q167-E170 PolarHBondContact O-N 2.93Å; Q167-S171 PolarHBondContact O-N 2.99Å; Q167-S171 PolarHBondContact O-OG 3.31Å |
| 168 | N | 92.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -31.8 | 177.1 | -74 | 13.5 | 0 | 0 | 0 | 111.8 | I164 G166 E172 E173 Q176 | I164-N168 VanDerWaalsContact O-CB 3.3Å; I164-N168 WeakPolarHBondContact O-CB 3.47Å; I164-N168 VanDerWaalsContact O-CG 3.27Å; I164-N168 PolarHBondContact O-N 2.96Å; I164-N168 PolarHBondContact O-OD1 3.13Å; G166-N168 PolarHBondContact O-N 2.74Å; N168-E172 CarbonylContact O-C 3.59Å; N168-E172 PolarHBondContact O-N 3.28Å; N168-E173 CarbonylContact O-C 3.57Å; N168-E173 PolarHBondContact O-N 2.83Å; N168-Q176 VanDerWaalsContact CB-NE2 3.26Å; N168-Q176 PolarHBondContact ND2-OE1 3.31Å |
| 169 | L | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.5 | -160.4 | 85.7 | 0 | 0 | 0 | 111.2 | F165 G166 Q167 E172 Q174 F177 L180 T194 F197 | F165-L169 WeakPolarHBondContact O-CB 3.44Å; F165-L169 PolarHBondContact O-N 3.31Å; F165-L169 VanDerWaalsContact O-N 3.11Å; G166-L169 WeakPolarHBondContact O-CB 3.5Å; G166-L169 PolarHBondContact O-N 3.48Å; Q167-L169 VanDerWaalsContact C-N 3.29Å; Q167-L169 PolarHBondContact O-N 3.04Å; L169-E172 PolarHBondContact O-N 3.16Å; L169-Q174 VanDerWaalsContact CD1-CD 3.41Å; L169-Q174 HydrophobicContact CD1-CG 3.79Å; L169-Q174 PolarHBondContact O-NE2 3.25Å; L169-F177 HydrophobicContact CD1-CD2 4.36Å; L169-L180 HydrophobicContact CD1-CD1 3.91Å; L169-T194 HydrophobicContact CD2-CG2 4.04Å; L169-T194 WeakPolarHBondContact CD2-O 3.43Å; L169-T194 HydrophobicContact CG-CG2 4.09Å; L169-F197 HydrophobicContact CD2-CB 3.32Å; L169-F197 HydrophobicContact CD2-CD2 4.08Å; L169-F197 HydrophobicContact CD2-CG 4.23Å |
| 170 | E | 87.3 | Confident | 89.9 | Confident | 120 Ų | 120 | 56.7 Ų | 56.7 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66 | -39 | 175.9 | -64.6 | -176.8 | 150.4 | 0 | 0 | 112.8 | G166 Q167 E172 C198 | G166-E170 PolarHBondContact O-N 3.32Å; G166-E170 VanDerWaalsContact O-N 3.1Å; Q167-E170 PolarHBondContact O-N 2.93Å; E170-E172 PolarHBondContact O-N 3.46Å; E170-C198 WeakPolarHBondContact CG-SG 3.4Å |
| 171 | S | 86.7 | Confident | 89.5 | Confident | 82 Ų | 82 | 56 Ų | 56 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3.1 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | Q167 E173 | Q167-S171 PolarHBondContact O-N 2.99Å; Q167-S171 PolarHBondContact O-OG 3.31Å; S171-E173 PolarHBondContact O-N 2.8Å; S171-E173 VanDerWaalsContact O-N 3.14Å |
| 172 | E | 81.9 | Confident | 89 | Confident | 108 Ų | 108 | 54.4 Ų | 54.4 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 22.6 | -172.8 | -42.7 | -173 | 158.1 | 0 | 0 | 115.8 | N168 L169 E170 Q174 K184 | N168-E172 CarbonylContact O-C 3.59Å; N168-E172 PolarHBondContact O-N 3.28Å; L169-E172 PolarHBondContact O-N 3.16Å; E170-E172 PolarHBondContact O-N 3.46Å; E172-Q174 PolarHBondContact O-N 3.41Å; E172-K184 HydrophobicContact CB-CD 4.48Å; E172-K184 PolarHBondContact O-NZ 3.5Å; E172-K184 WeakPolarHBondContact OE2-CE 3.05Å; E172-K184 IonicContact OE2-NZ 3.03Å; E172-K184 PolarHBondContact OE2-NZ 3.01Å |
| 173 | E | 83.2 | Confident | 88.5 | Confident | 121 Ų | 121 | 55.4 Ų | 55.4 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | trans | -92.8 | 61.1 | 177.9 | -64.5 | -161.7 | 155.6 | 0 | 0 | 111.3 | N168 S171 H175 | N168-E173 CarbonylContact O-C 3.57Å; N168-E173 PolarHBondContact O-N 2.83Å; S171-E173 PolarHBondContact O-N 2.8Å; S171-E173 VanDerWaalsContact O-N 3.14Å; E173-H175 PolarHBondContact O-N 3.33Å | ||
| 174 | Q | 79 | Confident | 88 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | trans | -87.6 | 34.1 | -166.4 | -54.3 | 176.6 | -6.3 | 0 | 0 | 113.1 | L169 E172 Q176 F177 | L169-Q174 VanDerWaalsContact CD1-CD 3.41Å; L169-Q174 HydrophobicContact CD1-CG 3.79Å; L169-Q174 PolarHBondContact O-NE2 3.25Å; E172-Q174 PolarHBondContact O-N 3.41Å; Q174-Q176 PolarHBondContact O-N 3.27Å; Q174-Q176 VanDerWaalsContact O-N 3.15Å; Q174-F177 PolarHBondContact O-N 3.46Å | ||
| 175 | H | 81 | Confident | 87.4 | Confident | 140 Ų | 140 | 59.9 Ų | 59.9 | 65% | 0.648 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.3 | -172.9 | 66.8 | 72.3 | 0 | 0 | 0 | 113.1 | E173 F177 | E173-H175 PolarHBondContact O-N 3.33Å; H175-F177 PolarHBondContact O-N 3.22Å |
| 176 | Q | 86.5 | Confident | 86.5 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -13.1 | 175.6 | 63.4 | -90.8 | 5.6 | 0 | 0 | 114.3 | K133 F165 N168 Q174 | K133-Q176 WeakPolarHBondContact CE-O 3.41Å; F165-Q176 HydrophobicContact CD1-CG 3.8Å; F165-Q176 HydrophobicContact CE1-CB 4.3Å; F165-Q176 HydrophobicContact CE1-CG 3.88Å; N168-Q176 VanDerWaalsContact CB-NE2 3.26Å; N168-Q176 PolarHBondContact ND2-OE1 3.31Å; Q174-Q176 PolarHBondContact O-N 3.27Å; Q174-Q176 VanDerWaalsContact O-N 3.15Å |
| 177 | F | 90.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | trans | -119.6 | 94.4 | -173.1 | -61.3 | -44.3 | 0 | 0 | 0 | 110.1 | D129 K133 F165 L169 Q174 H175 N179 L180 N181 F201 | D129-F177 HydrophobicContact CB-CB 4.1Å; D129-F177 HydrophobicContact CB-CD1 3.73Å; D129-F177 HydrophobicContact CB-CG 4.25Å; D129-F177 WeakPolarHBondContact OD2-CA 3.4Å; D129-F177 WeakPolarHBondContact OD2-CB 3.16Å; K133-F177 HydrophobicContact CG-CE1 4.09Å; F165-F177 HydrophobicContact CB-CE2 4.08Å; F165-F177 HydrophobicContact CB-CZ 3.77Å; F165-F177 HydrophobicContact CD1-CZ 4.03Å; F165-F177 HydrophobicContact CD2-CE1 4.38Å; F165-F177 AromaticContact CD2-CZ 3.8Å; F165-F177 HydrophobicContact CD2-CZ 3.8Å; F165-F177 HydrophobicContact CE2-CZ 4.39Å; F165-F177 HydrophobicContact CG-CE1 4.46Å; F165-F177 HydrophobicContact CG-CE2 4.27Å; F165-F177 AromaticContact CG-CZ 3.59Å; F165-F177 HydrophobicContact CG-CZ 3.59Å; L169-F177 HydrophobicContact CD1-CD2 4.36Å; Q174-F177 PolarHBondContact O-N 3.46Å; H175-F177 PolarHBondContact O-N 3.22Å; F177-N179 PolarHBondContact O-N 3.22Å; F177-L180 HydrophobicContact CB-CB 3.96Å; F177-L180 HydrophobicContact CB-CD1 3.9Å; F177-L180 HydrophobicContact CB-CG 4.2Å; F177-L180 HydrophobicContact CD2-CD1 3.98Å; F177-L180 HydrophobicContact CG-CD1 4.07Å; F177-N181 VanDerWaalsContact O-CB 3.23Å; F177-N181 WeakPolarHBondContact O-CB 3.17Å; F177-N181 PolarHBondContact O-N 3.49Å; F177-F201 HydrophobicContact CE1-CZ 4.27Å; F177-F201 AromaticContact CE2-CE2 3.99Å; F177-F201 HydrophobicContact CE2-CE2 3.99Å; F177-F201 AromaticContact CE2-CZ 3.8Å; F177-F201 HydrophobicContact CE2-CZ 3.8Å; F177-F201 HydrophobicContact CZ-CE1 4.19Å; F177-F201 HydrophobicContact CZ-CE2 4.03Å; F177-F201 AromaticContact CZ-CZ 3.38Å; F177-F201 HydrophobicContact CZ-CZ 3.38Å | ||
| 178 | H | 89.4 | Confident | 85.1 | Confident | 124 Ų | 124 | 64.9 Ų | 64.9 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | -173 | -179.6 | 77.3 | 0 | 0 | 0 | 112.4 | D129 N182 | D129-H178 PolarHBondContact OD2-N 2.92Å; H178-N182 PolarHBondContact CD2-ND2 3.46Å; H178-N182 PolarHBondContact NE2-ND2 3.33Å; H178-N182 PolarHBondContact O-N 3.32Å; H178-N182 VanDerWaalsContact O-N 3.07Å; H178-N182 PolarHBondContact O-ND2 3.39Å |
| 179 | N | 89.1 | Confident | 84.9 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.059 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.8 | -40.4 | -176.3 | -60 | -53 | 0 | 0 | 0 | 111.3 | Y96 A125 S128 D129 F177 N182 L183 | Y96-N179 HydrophobicContact CD1-CB 3.7Å; Y96-N179 VanDerWaalsContact CD1-CG 3.46Å; Y96-N179 WeakPolarHBondContact CD1-OD1 3.44Å; Y96-N179 HydrophobicContact CE1-CB 3.84Å; Y96-N179 HydrophobicContact CG-CB 4.26Å; A125-N179 HydrophobicContact CB-CB 3.88Å; S128-N179 PolarHBondContact OG-ND2 2.8Å; D129-N179 PolarHBondContact OD1-N 3.1Å; D129-N179 PolarHBondContact OD1-ND2 3.45Å; D129-N179 WeakPolarHBondContact OD2-CA 3.43Å; D129-N179 WeakPolarHBondContact OD2-CB 3.43Å; D129-N179 PolarHBondContact OD2-N 3.45Å; F177-N179 PolarHBondContact O-N 3.22Å; N179-N182 PolarHBondContact O-N 3.18Å; N179-L183 PolarHBondContact O-N 2.87Å |
| 180 | L | 90.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 174.4 | -64.9 | 175.6 | 0 | 0 | 0 | 112.4 | A125 Y126 D129 L169 F177 N182 L183 K184 L189 F197 | A125-L180 HydrophobicContact CB-CD2 4.01Å; Y126-L180 HydrophobicContact CD2-CD1 3.91Å; D129-L180 PolarHBondContact OD2-N 3.23Å; L169-L180 HydrophobicContact CD1-CD1 3.91Å; F177-L180 HydrophobicContact CB-CB 3.96Å; F177-L180 HydrophobicContact CB-CD1 3.9Å; F177-L180 HydrophobicContact CB-CG 4.2Å; F177-L180 HydrophobicContact CD2-CD1 3.98Å; F177-L180 HydrophobicContact CG-CD1 4.07Å; L180-N182 VanDerWaalsContact C-N 3.29Å; L180-N182 PolarHBondContact O-N 3.48Å; L180-L183 WeakPolarHBondContact O-CB 3.31Å; L180-L183 PolarHBondContact O-N 3.19Å; L180-L183 VanDerWaalsContact O-N 3.11Å; L180-K184 PolarHBondContact O-N 3.48Å; L180-L189 HydrophobicContact CD2-CD1 4.2Å; L180-F197 HydrophobicContact CD2-CE2 4.02Å |
| 181 | N | 88.5 | Confident | 84.9 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 177 | -166.6 | 20.6 | 0 | 0 | 0 | 111.8 | F177 K184 K185 | F177-N181 VanDerWaalsContact O-CB 3.23Å; F177-N181 WeakPolarHBondContact O-CB 3.17Å; F177-N181 PolarHBondContact O-N 3.49Å; N181-K184 PolarHBondContact O-N 3.05Å; N181-K185 WeakPolarHBondContact O-CG 3.27Å; N181-K185 PolarHBondContact O-N 3.05Å |
| 182 | N | 86.6 | Confident | 85.3 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 173 | -70.7 | -20.1 | 0 | 0 | 0 | 112.2 | H178 N179 L180 K185 N186 | H178-N182 PolarHBondContact CD2-ND2 3.46Å; H178-N182 PolarHBondContact NE2-ND2 3.33Å; H178-N182 PolarHBondContact O-N 3.32Å; H178-N182 VanDerWaalsContact O-N 3.07Å; H178-N182 PolarHBondContact O-ND2 3.39Å; N179-N182 PolarHBondContact O-N 3.18Å; L180-N182 VanDerWaalsContact C-N 3.29Å; L180-N182 PolarHBondContact O-N 3.48Å; N182-K185 PolarHBondContact O-N 2.66Å; N182-N186 PolarHBondContact O-ND2 3.4Å |
| 183 | L | 85.9 | Confident | 85.8 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 173 | -79.9 | 177.8 | 0 | 0 | 0 | 112.4 | Y96 R121 A122 A125 N179 L180 K185 N186 G187 | Y96-L183 WeakPolarHBondContact OH-CD2 3.35Å; Y96-L183 WeakPolarHBondContact OH-CG 3.44Å; R121-L183 HydrophobicContact CG-CD2 4.04Å; A122-L183 HydrophobicContact CB-CD1 4.32Å; A125-L183 HydrophobicContact CB-CD1 3.4Å; A125-L183 HydrophobicContact CB-CG 4.33Å; N179-L183 PolarHBondContact O-N 2.87Å; L180-L183 WeakPolarHBondContact O-CB 3.31Å; L180-L183 PolarHBondContact O-N 3.19Å; L180-L183 VanDerWaalsContact O-N 3.11Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.38Å; L183-N186 CarbonylContact O-C 3.6Å; L183-N186 WeakPolarHBondContact O-CA 3.41Å; L183-N186 PolarHBondContact O-N 3.33Å; L183-G187 PolarHBondContact O-N 2.81Å |
| 184 | K | 82.4 | Confident | 86.3 | Confident | 65 Ų | 65 | 60 Ų | 60 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 177.5 | -171.6 | -174.5 | -179.6 | -176.7 | 0 | 111.2 | E172 L180 N181 N186 G187 G188 | E172-K184 HydrophobicContact CB-CD 4.48Å; E172-K184 PolarHBondContact O-NZ 3.5Å; E172-K184 WeakPolarHBondContact OE2-CE 3.05Å; E172-K184 IonicContact OE2-NZ 3.03Å; E172-K184 PolarHBondContact OE2-NZ 3.01Å; L180-K184 PolarHBondContact O-N 3.48Å; N181-K184 PolarHBondContact O-N 3.05Å; K184-N186 PolarHBondContact O-N 2.85Å; K184-N186 VanDerWaalsContact O-N 3.12Å; K184-G187 PolarHBondContact O-N 3.45Å; K184-G188 PolarHBondContact O-N 2.98Å |
| 185 | K | 81.6 | Confident | 87.1 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 67% | 0.665 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.4 | 176.6 | -68.4 | 174 | -176.4 | 175.4 | 0 | 113.8 | N181 N182 L183 | N181-K185 WeakPolarHBondContact O-CG 3.27Å; N181-K185 PolarHBondContact O-N 3.05Å; N182-K185 PolarHBondContact O-N 2.66Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.38Å |
| 186 | N | 78.2 | Confident | 87.8 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 10.7 | -177 | -66.6 | -19.7 | 0 | 0 | 0 | 114 | N182 L183 K184 | N182-N186 PolarHBondContact O-ND2 3.4Å; L183-N186 CarbonylContact O-C 3.6Å; L183-N186 WeakPolarHBondContact O-CA 3.41Å; L183-N186 PolarHBondContact O-N 3.33Å; K184-N186 PolarHBondContact O-N 2.85Å; K184-N186 VanDerWaalsContact O-N 3.12Å |
| 187 | G | 76.8 | Confident | 88.2 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 75% | 0.753 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.4 | 10.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L183 K184 | L183-G187 PolarHBondContact O-N 2.81Å; K184-G187 PolarHBondContact O-N 3.45Å |
| 188 | G | 79.4 | Confident | 88.5 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | trans | 71.3 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K184 | K184-G188 PolarHBondContact O-N 2.98Š| ||
| 189 | L | 86.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | trans | -108.1 | 134.2 | 171 | -68.3 | 171.2 | 0 | 0 | 0 | 108.1 | A122 L180 V193 T194 F197 | A122-L189 HydrophobicContact CB-CD2 3.72Å; L180-L189 HydrophobicContact CD2-CD1 4.2Å; L189-V193 HydrophobicContact CD2-CG1 4.49Å; L189-T194 WeakPolarHBondContact CB-OG1 3.22Å; L189-F197 HydrophobicContact CD1-CE2 4.26Å | ||
| 190 | P | 89.2 | Confident | 89.2 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | trans | -60.5 | 146 | 172.8 | -16.8 | 27.7 | 0 | 0 | 0 | 111 | D192 V193 T194 | P190-D192 WeakPolarHBondContact CB-OD1 3.02Å; P190-D192 PolarHBondContact O-N 3.4Å; P190-D192 VanDerWaalsContact O-N 3.17Å; P190-V193 HydrophobicContact CB-CG2 3.98Å; P190-V193 HydrophobicContact CG-CG2 3.92Å; P190-V193 WeakPolarHBondContact O-CA 3.42Å; P190-V193 VanDerWaalsContact O-CB 3.31Å; P190-V193 WeakPolarHBondContact O-CB 3.35Å; P190-V193 PolarHBondContact O-N 3.28Å; P190-T194 PolarHBondContact O-N 2.93Å; P190-T194 VanDerWaalsContact O-N 3.08Å; P190-T194 PolarHBondContact O-OG1 3.31Å | ||
| 191 | D | 90.2 | Very high | 89.5 | Confident | 128 Ų | 128 | 58.9 Ų | 58.9 | 68% | 0.684 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.7 | -35.4 | -173.6 | -67.2 | -11.8 | 0 | 0 | 0 | 113.5 | V193 T194 R195 | D191-V193 VanDerWaalsContact C-N 3.29Å; D191-V193 PolarHBondContact O-N 3.4Å; D191-T194 PolarHBondContact O-N 2.93Å; D191-R195 WeakPolarHBondContact O-CB 3.42Å; D191-R195 PolarHBondContact O-N 3.4Å |
| 192 | D | 93 | Very high | 90 | Very high | 101 Ų | 101 | 59.6 Ų | 59.6 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 176.7 | 71.7 | -73.6 | 0 | 0 | 0 | 112.1 | R39 P190 S196 | R39-D192 IonicContact NH1-OD2 2.86Å; R39-D192 PolarHBondContact NH1-OD2 3.29Å; R39-D192 VanDerWaalsContact NH1-OD2 3.1Å; P190-D192 WeakPolarHBondContact CB-OD1 3.02Å; P190-D192 PolarHBondContact O-N 3.4Å; P190-D192 VanDerWaalsContact O-N 3.17Å; D192-S196 WeakPolarHBondContact O-CB 3.29Å; D192-S196 PolarHBondContact O-N 3.33Å |
| 193 | V | 93.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.9 | -48.2 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | A122 L189 P190 D191 R195 S196 F197 | A122-V193 HydrophobicContact CB-CG1 4.03Å; L189-V193 HydrophobicContact CD2-CG1 4.49Å; P190-V193 HydrophobicContact CB-CG2 3.98Å; P190-V193 HydrophobicContact CG-CG2 3.92Å; P190-V193 WeakPolarHBondContact O-CA 3.42Å; P190-V193 VanDerWaalsContact O-CB 3.31Å; P190-V193 WeakPolarHBondContact O-CB 3.35Å; P190-V193 PolarHBondContact O-N 3.28Å; D191-V193 VanDerWaalsContact C-N 3.29Å; D191-V193 PolarHBondContact O-N 3.4Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.99Å; V193-S196 WeakPolarHBondContact O-CB 3.5Å; V193-S196 PolarHBondContact O-N 3.21Å; V193-F197 HydrophobicContact CG1-CD2 4.32Å; V193-F197 HydrophobicContact CG1-CE1 3.93Å; V193-F197 HydrophobicContact CG1-CE2 3.6Å; V193-F197 HydrophobicContact CG1-CZ 3.36Å; V193-F197 WeakPolarHBondContact O-CG 3.39Å; V193-F197 PolarHBondContact O-N 2.88Å; V193-F197 VanDerWaalsContact O-N 3.07Å |
| 194 | T | 93.4 | Very high | 91 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | L169 L189 P190 D191 S196 F197 C198 | L169-T194 HydrophobicContact CD2-CG2 4.04Å; L169-T194 WeakPolarHBondContact CD2-O 3.43Å; L169-T194 HydrophobicContact CG-CG2 4.09Å; L189-T194 WeakPolarHBondContact CB-OG1 3.22Å; P190-T194 PolarHBondContact O-N 2.93Å; P190-T194 VanDerWaalsContact O-N 3.08Å; P190-T194 PolarHBondContact O-OG1 3.31Å; D191-T194 PolarHBondContact O-N 2.93Å; T194-S196 PolarHBondContact O-N 3.2Å; T194-F197 PolarHBondContact O-N 3.03Å; T194-F197 VanDerWaalsContact O-N 3.15Å; T194-C198 PolarHBondContact O-N 3.05Å; T194-C198 PolarHBondContact O-SG 3.03Å; T194-C198 VanDerWaalsContact O-SG 3.33Å |
| 195 | R | 95 | Very high | 91.8 | Very high | 156 Ų | 156 | 57.5 Ų | 57.5 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 177.2 | -175.1 | 153.3 | -70.8 | 128.9 | 4.5 | 112.2 | D191 V193 F197 C198 D199 | D191-R195 WeakPolarHBondContact O-CB 3.42Å; D191-R195 PolarHBondContact O-N 3.4Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.99Å; R195-F197 VanDerWaalsContact C-N 3.25Å; R195-F197 PolarHBondContact O-N 3.45Å; R195-C198 WeakPolarHBondContact O-CB 3.35Å; R195-C198 PolarHBondContact O-N 3.37Å; R195-C198 VanDerWaalsContact O-N 3.14Å; R195-D199 VanDerWaalsContact O-CG 3.23Å; R195-D199 PolarHBondContact O-N 3.07Å |
| 196 | S | 96.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 113 | R39 D192 V193 T194 H200 | R39-S196 WeakPolarHBondContact CD-OG 3.34Å; D192-S196 WeakPolarHBondContact O-CB 3.29Å; D192-S196 PolarHBondContact O-N 3.33Å; V193-S196 WeakPolarHBondContact O-CB 3.5Å; V193-S196 PolarHBondContact O-N 3.21Å; T194-S196 PolarHBondContact O-N 3.2Å; S196-H200 WeakPolarHBondContact O-CB 3Å; S196-H200 PolarHBondContact O-N 2.89Å; S196-H200 VanDerWaalsContact O-N 3.1Å |
| 197 | F | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.3 | -36.8 | 176.1 | -64.9 | -10.9 | 0 | 0 | 0 | 112.4 | L40 A122 Y126 L169 L180 L189 V193 T194 R195 H200 F201 | L40-F197 HydrophobicContact CD2-CD1 4.36Å; L40-F197 HydrophobicContact CD2-CE1 3.92Å; A122-F197 HydrophobicContact CB-CZ 4.3Å; Y126-F197 HydrophobicContact CD1-CD1 4.07Å; Y126-F197 HydrophobicContact CD1-CE1 4.22Å; Y126-F197 HydrophobicContact CD1-CG 4.46Å; Y126-F197 HydrophobicContact CD2-CB 3.84Å; Y126-F197 AromaticContact CD2-CD1 3.92Å; Y126-F197 HydrophobicContact CD2-CD1 3.92Å; Y126-F197 AromaticContact CD2-CD2 3.55Å; Y126-F197 HydrophobicContact CD2-CD2 3.55Å; Y126-F197 HydrophobicContact CD2-CE1 4.39Å; Y126-F197 HydrophobicContact CD2-CE2 4.05Å; Y126-F197 AromaticContact CD2-CG 3.48Å; Y126-F197 HydrophobicContact CD2-CG 3.48Å; Y126-F197 VanDerWaalsContact CD2-CG 3.48Å; Y126-F197 HydrophobicContact CD2-CZ 4.45Å; Y126-F197 HydrophobicContact CE1-CD1 4.45Å; Y126-F197 HydrophobicContact CE2-CB 3.67Å; Y126-F197 HydrophobicContact CE2-CD1 4.3Å; Y126-F197 HydrophobicContact CE2-CD2 4.27Å; Y126-F197 AromaticContact CE2-CG 3.83Å; Y126-F197 HydrophobicContact CE2-CG 3.83Å; Y126-F197 AromaticContact CG-CD1 3.81Å; Y126-F197 HydrophobicContact CG-CD1 3.81Å; Y126-F197 AromaticContact CG-CD2 3.96Å; Y126-F197 HydrophobicContact CG-CD2 3.96Å; Y126-F197 AromaticContact CG-CE1 3.91Å; Y126-F197 HydrophobicContact CG-CE1 3.91Å; Y126-F197 HydrophobicContact CG-CE2 4.04Å; Y126-F197 AromaticContact CG-CG 3.85Å; Y126-F197 HydrophobicContact CG-CG 3.85Å; Y126-F197 HydrophobicContact CG-CZ 4.03Å; L169-F197 HydrophobicContact CD2-CB 3.32Å; L169-F197 HydrophobicContact CD2-CD2 4.08Å; L169-F197 HydrophobicContact CD2-CG 4.23Å; L180-F197 HydrophobicContact CD2-CE2 4.02Å; L189-F197 HydrophobicContact CD1-CE2 4.26Å; V193-F197 HydrophobicContact CG1-CD2 4.32Å; V193-F197 HydrophobicContact CG1-CE1 3.93Å; V193-F197 HydrophobicContact CG1-CE2 3.6Å; V193-F197 HydrophobicContact CG1-CZ 3.36Å; V193-F197 WeakPolarHBondContact O-CG 3.39Å; V193-F197 PolarHBondContact O-N 2.88Å; V193-F197 VanDerWaalsContact O-N 3.07Å; T194-F197 PolarHBondContact O-N 3.03Å; T194-F197 VanDerWaalsContact O-N 3.15Å; R195-F197 VanDerWaalsContact C-N 3.25Å; R195-F197 PolarHBondContact O-N 3.45Å; F197-H200 WeakPolarHBondContact O-CB 3.39Å; F197-H200 PolarHBondContact O-N 2.73Å; F197-F201 VanDerWaalsContact O-CD2 3.27Å; F197-F201 WeakPolarHBondContact O-CD2 3.43Å; F197-F201 PolarHBondContact O-N 2.7Å |
| 198 | C | 95.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 172 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | E170 T194 R195 H200 F201 S202 | E170-C198 WeakPolarHBondContact CG-SG 3.4Å; T194-C198 PolarHBondContact O-N 3.05Å; T194-C198 PolarHBondContact O-SG 3.03Å; T194-C198 VanDerWaalsContact O-SG 3.33Å; R195-C198 WeakPolarHBondContact O-CB 3.35Å; R195-C198 PolarHBondContact O-N 3.37Å; R195-C198 VanDerWaalsContact O-N 3.14Å; C198-H200 PolarHBondContact O-N 2.93Å; C198-F201 WeakPolarHBondContact O-CB 3.24Å; C198-F201 PolarHBondContact O-N 3.15Å; C198-S202 PolarHBondContact O-N 3.43Å; C198-S202 PolarHBondContact O-OG 2.86Å |
| 199 | D | 97 | Very high | 95.2 | Very high | 98 Ų | 98 | 46.7 Ų | 46.7 | 52% | 0.524 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.3 | -39 | 176.7 | -66.4 | -21.1 | 0 | 0 | 0 | 111 | R195 S202 M203 | R195-D199 VanDerWaalsContact O-CG 3.23Å; R195-D199 PolarHBondContact O-N 3.07Å; D199-S202 PolarHBondContact O-N 3.33Å; D199-M203 WeakPolarHBondContact O-CB 3.4Å; D199-M203 PolarHBondContact O-N 3.02Å |
| 200 | H | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 174.8 | -173.2 | -113.8 | 0 | 0 | 0 | 112.3 | R35 L40 Y126 S196 F197 C198 M203 L204 | R35-H200 PolarHBondContact O-NE2 3.3Å; L40-H200 HydrophobicContact CD1-CB 4.23Å; Y126-H200 AromaticContact CE1-CE1 3.98Å; Y126-H200 AromaticContact CE1-ND1 3.4Å; Y126-H200 WeakPolarHBondContact CE1-ND1 3.43Å; Y126-H200 AromaticContact CZ-ND1 3.5Å; Y126-H200 PolarHBondContact OH-ND1 2.9Å; S196-H200 WeakPolarHBondContact O-CB 3Å; S196-H200 PolarHBondContact O-N 2.89Å; S196-H200 VanDerWaalsContact O-N 3.1Å; F197-H200 WeakPolarHBondContact O-CB 3.39Å; F197-H200 PolarHBondContact O-N 2.73Å; C198-H200 PolarHBondContact O-N 2.93Å; H200-M203 WeakPolarHBondContact CD2-CE 3.25Å; H200-M203 PolarHBondContact O-N 2.96Å; H200-L204 VanDerWaalsContact CE1-CD1 3.48Å; H200-L204 WeakPolarHBondContact CE1-CD1 3.36Å; H200-L204 WeakPolarHBondContact O-CD1 3.29Å; H200-L204 VanDerWaalsContact O-CG 3.22Å; H200-L204 WeakPolarHBondContact O-CG 3.48Å; H200-L204 PolarHBondContact O-N 3.18Å |
| 201 | F | 97.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.3 | -75 | -53.3 | 0 | 0 | 0 | 112.8 | Y126 L162 F165 F177 F197 C198 L204 H205 | Y126-F201 HydrophobicContact CE2-CD2 4.42Å; Y126-F201 HydrophobicContact CE2-CE1 4.28Å; Y126-F201 AromaticContact CE2-CE2 3.59Å; Y126-F201 HydrophobicContact CE2-CE2 3.59Å; Y126-F201 AromaticContact CE2-CZ 3.48Å; Y126-F201 HydrophobicContact CE2-CZ 3.48Å; Y126-F201 VanDerWaalsContact CE2-CZ 3.48Å; Y126-F201 AromaticContact CZ-CZ 3.84Å; Y126-F201 WeakPolarHBondContact OH-CE1 3.34Å; Y126-F201 WeakPolarHBondContact OH-CZ 3.39Å; L162-F201 HydrophobicContact CD2-CD1 3.87Å; L162-F201 HydrophobicContact CD2-CE1 4.31Å; F165-F201 HydrophobicContact CB-CD1 4.22Å; F165-F201 HydrophobicContact CB-CD2 4.13Å; F165-F201 HydrophobicContact CB-CE1 4.03Å; F165-F201 HydrophobicContact CB-CE2 3.92Å; F165-F201 HydrophobicContact CB-CG 4.28Å; F165-F201 HydrophobicContact CB-CZ 3.89Å; F165-F201 HydrophobicContact CD2-CD1 4.5Å; F165-F201 AromaticContact CD2-CE1 4Å; F165-F201 HydrophobicContact CD2-CE1 4Å; F165-F201 HydrophobicContact CD2-CZ 4.38Å; F177-F201 HydrophobicContact CE1-CZ 4.27Å; F177-F201 AromaticContact CE2-CE2 3.99Å; F177-F201 HydrophobicContact CE2-CE2 3.99Å; F177-F201 AromaticContact CE2-CZ 3.8Å; F177-F201 HydrophobicContact CE2-CZ 3.8Å; F177-F201 HydrophobicContact CZ-CE1 4.19Å; F177-F201 HydrophobicContact CZ-CE2 4.03Å; F177-F201 AromaticContact CZ-CZ 3.38Å; F177-F201 HydrophobicContact CZ-CZ 3.38Å; F197-F201 VanDerWaalsContact O-CD2 3.27Å; F197-F201 WeakPolarHBondContact O-CD2 3.43Å; F197-F201 PolarHBondContact O-N 2.7Å; C198-F201 WeakPolarHBondContact O-CB 3.24Å; C198-F201 PolarHBondContact O-N 3.15Å; F201-L204 HydrophobicContact CD1-CD1 4.31Å; F201-L204 PolarHBondContact O-N 3.35Å; F201-H205 WeakPolarHBondContact O-CB 3.49Å; F201-H205 PolarHBondContact O-N 3.23Å |
| 202 | S | 97.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 47.1 Ų | 47.1 | 46% | 0.462 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.2 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | C198 D199 L204 H205 E206 | C198-S202 PolarHBondContact O-N 3.43Å; C198-S202 PolarHBondContact O-OG 2.86Å; D199-S202 PolarHBondContact O-N 3.33Å; S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L204 PolarHBondContact O-N 3.17Å; S202-H205 WeakPolarHBondContact O-CB 3.22Å; S202-H205 PolarHBondContact O-N 3.32Å; S202-E206 WeakPolarHBondContact O-CG 3.4Å; S202-E206 PolarHBondContact O-N 2.99Å |
| 203 | M | 97.4 | Very high | 96.3 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.1 | -178.1 | -164.1 | 64.4 | 0 | 0 | 112.2 | R35 D199 H200 D207 | R35-M203 HydrophobicContact CB-CE 4.17Å; R35-M203 HydrophobicContact CG-CE 3.58Å; R35-M203 HydrophobicContact CG-SD 3.92Å; R35-M203 VanDerWaalsContact NE-CG 3.27Å; R35-M203 PolarHBondContact NE-SD 3.34Å; R35-M203 VanDerWaalsContact NE-SD 3.37Å; D199-M203 WeakPolarHBondContact O-CB 3.4Å; D199-M203 PolarHBondContact O-N 3.02Å; H200-M203 WeakPolarHBondContact CD2-CE 3.25Å; H200-M203 PolarHBondContact O-N 2.96Å; M203-D207 WeakPolarHBondContact O-CB 3.4Å; M203-D207 PolarHBondContact O-N 3.26Å |
| 204 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 176.6 | -69.7 | 164.6 | 0 | 0 | 0 | 111.9 | V32 R35 Y130 F134 L162 H200 F201 S202 D207 M208 | V32-L204 HydrophobicContact CG1-CD2 3.78Å; V32-L204 WeakPolarHBondContact O-CD2 3.32Å; R35-L204 HydrophobicContact CB-CD2 4.26Å; Y130-L204 HydrophobicContact CD2-CD1 3.98Å; Y130-L204 HydrophobicContact CE2-CD1 3.36Å; Y130-L204 HydrophobicContact CE2-CD2 4.23Å; Y130-L204 HydrophobicContact CE2-CG 4.44Å; F134-L204 HydrophobicContact CZ-CD2 4.31Å; L162-L204 HydrophobicContact CD1-CB 4.1Å; H200-L204 VanDerWaalsContact CE1-CD1 3.48Å; H200-L204 WeakPolarHBondContact CE1-CD1 3.36Å; H200-L204 WeakPolarHBondContact O-CD1 3.29Å; H200-L204 VanDerWaalsContact O-CG 3.22Å; H200-L204 WeakPolarHBondContact O-CG 3.48Å; H200-L204 PolarHBondContact O-N 3.18Å; F201-L204 HydrophobicContact CD1-CD1 4.31Å; F201-L204 PolarHBondContact O-N 3.35Å; S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L204 PolarHBondContact O-N 3.17Å; L204-D207 PolarHBondContact O-N 3.48Å; L204-M208 WeakPolarHBondContact O-CB 3.46Å; L204-M208 WeakPolarHBondContact O-CG 3.28Å; L204-M208 PolarHBondContact O-N 2.95Å |
| 205 | H | 97.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60 | -48.2 | 176.5 | 173.3 | -80 | 0 | 0 | 0 | 110.8 | I159 L162 F201 S202 M208 C209 | I159-H205 VanDerWaalsContact CG2-CD2 3.46Å; I159-H205 WeakPolarHBondContact CG2-CD2 3.43Å; I159-H205 WeakPolarHBondContact CG2-NE2 3.33Å; I159-H205 PolarHBondContact O-CD2 3.36Å; L162-H205 HydrophobicContact CB-CB 4.29Å; L162-H205 HydrophobicContact CD1-CB 4.46Å; F201-H205 WeakPolarHBondContact O-CB 3.49Å; F201-H205 PolarHBondContact O-N 3.23Å; S202-H205 WeakPolarHBondContact O-CB 3.22Å; S202-H205 PolarHBondContact O-N 3.32Å; H205-M208 PolarHBondContact O-N 3.37Å; H205-C209 WeakPolarHBondContact O-CB 3.44Å; H205-C209 PolarHBondContact O-N 3.2Å; H205-C209 PolarHBondContact O-SG 3.28Å; H205-C209 VanDerWaalsContact O-SG 3.35Å |
| 206 | E | 97.6 | Very high | 96.2 | Very high | 125 Ų | 125 | 39.1 Ų | 39.1 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -59.8 | -48.4 | 175.7 | -71 | 172.5 | -173.2 | 0 | 0 | 112.1 | S202 M208 C209 E210 | S202-E206 WeakPolarHBondContact O-CG 3.4Å; S202-E206 PolarHBondContact O-N 2.99Å; E206-M208 VanDerWaalsContact C-N 3.3Å; E206-M208 PolarHBondContact O-N 2.94Å; E206-C209 PolarHBondContact O-N 3.34Å; E206-E210 PolarHBondContact O-N 3.49Å |
| 207 | D | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 179.6 | -164.5 | 55.6 | 0 | 0 | 0 | 112 | V32 R35 M203 L204 R211 | V32-D207 WeakPolarHBondContact CA-OD2 3.14Å; V32-D207 WeakPolarHBondContact CG2-OD2 3.42Å; R35-D207 IonicContact CZ-OD1 2.94Å; R35-D207 VanDerWaalsContact NH1-CG 3.25Å; R35-D207 IonicContact NH1-OD1 3.28Å; R35-D207 PolarHBondContact NH1-OD1 3.42Å; M203-D207 WeakPolarHBondContact O-CB 3.4Å; M203-D207 PolarHBondContact O-N 3.26Å; L204-D207 PolarHBondContact O-N 3.48Å; D207-R211 VanDerWaalsContact O-CB 3.32Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 VanDerWaalsContact O-CG 3.23Å; D207-R211 WeakPolarHBondContact O-CG 3.34Å; D207-R211 PolarHBondContact O-N 3.11Å; D207-R211 IonicContact OD1-CZ 3.27Å; D207-R211 IonicContact OD1-NE 3.39Å; D207-R211 PolarHBondContact OD1-NE 3.36Å; D207-R211 IonicContact OD1-NH2 3.08Å; D207-R211 PolarHBondContact OD1-NH2 3.29Å; D207-R211 IonicContact OD2-CZ 2.79Å; D207-R211 IonicContact OD2-NE 2.7Å; D207-R211 PolarHBondContact OD2-NE 2.87Å; D207-R211 IonicContact OD2-NH2 2.8Å; D207-R211 PolarHBondContact OD2-NH2 3.39Å |
| 208 | M | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -48 | 174.1 | -74 | -73.6 | -73.7 | 0 | 0 | 111.5 | V32 M137 V155 F158 I159 L162 L204 H205 E206 E210 R211 Y212 | V32-M208 HydrophobicContact CB-CG 4.43Å; V32-M208 HydrophobicContact CB-SD 3.88Å; V32-M208 HydrophobicContact CG1-CG 3.64Å; V32-M208 HydrophobicContact CG1-SD 3.66Å; V32-M208 HydrophobicContact CG2-CG 4.17Å; V32-M208 HydrophobicContact CG2-SD 3.57Å; V32-M208 VanDerWaalsContact CG2-SD 3.57Å; M137-M208 HydrophobicContact CE-CE 3.5Å; M137-M208 VanDerWaalsContact CE-CE 3.5Å; M137-M208 HydrophobicContact SD-CE 4.02Å; V155-M208 HydrophobicContact CG1-CE 4.23Å; F158-M208 HydrophobicContact CD1-CE 4.05Å; I159-M208 HydrophobicContact CD1-CB 3.85Å; I159-M208 HydrophobicContact CG1-CB 3.64Å; I159-M208 HydrophobicContact CG1-CE 4.1Å; I159-M208 HydrophobicContact CG1-CG 4.36Å; L162-M208 HydrophobicContact CD1-CG 4.09Å; L204-M208 WeakPolarHBondContact O-CB 3.46Å; L204-M208 WeakPolarHBondContact O-CG 3.28Å; L204-M208 PolarHBondContact O-N 2.95Å; H205-M208 PolarHBondContact O-N 3.37Å; E206-M208 VanDerWaalsContact C-N 3.3Å; E206-M208 PolarHBondContact O-N 2.94Å; M208-E210 VanDerWaalsContact C-N 3.28Å; M208-E210 PolarHBondContact O-N 2.89Å; M208-R211 PolarHBondContact O-N 3.25Å; M208-Y212 HydrophobicContact CE-CD2 3.96Å; M208-Y212 HydrophobicContact CE-CE2 3.71Å; M208-Y212 VanDerWaalsContact O-CB 3.32Å; M208-Y212 WeakPolarHBondContact O-CB 3.42Å; M208-Y212 WeakPolarHBondContact O-CD2 3.36Å; M208-Y212 PolarHBondContact O-N 3.32Å; M208-Y212 HydrophobicContact SD-CD2 3.88Å; M208-Y212 HydrophobicContact SD-CE2 3.53Å; M208-Y212 VanDerWaalsContact SD-CE2 3.53Å |
| 209 | C | 97.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 177.9 | -76.7 | 0 | 0 | 0 | 0 | 111.7 | H205 E206 G213 | H205-C209 WeakPolarHBondContact O-CB 3.44Å; H205-C209 PolarHBondContact O-N 3.2Å; H205-C209 PolarHBondContact O-SG 3.28Å; H205-C209 VanDerWaalsContact O-SG 3.35Å; E206-C209 PolarHBondContact O-N 3.34Å; C209-G213 WeakPolarHBondContact O-CA 3.33Å; C209-G213 PolarHBondContact O-N 2.86Å; C209-G213 VanDerWaalsContact O-N 3.11Å |
| 210 | E | 96.1 | Very high | 95 | Very high | 150 Ų | 150 | 48.2 Ų | 48.2 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.3 | -53.8 | 177 | -172.3 | -173 | 173.2 | 0 | 0 | 111.7 | E206 M208 Y212 G213 | E206-E210 PolarHBondContact O-N 3.49Å; M208-E210 VanDerWaalsContact C-N 3.28Å; M208-E210 PolarHBondContact O-N 2.89Å; E210-Y212 VanDerWaalsContact C-N 3.28Å; E210-Y212 PolarHBondContact O-N 3.15Å; E210-G213 PolarHBondContact O-N 3.43Å |
| 211 | R | 94.8 | Very high | 94.5 | Very high | 85 Ų | 85 | 50.5 Ų | 50.5 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -26.6 | -173.5 | -70.8 | 179.3 | -166.5 | -64.8 | -16.3 | 113.8 | R28 V32 D207 M208 | R28-R211 VanDerWaalsContact CD-O 3.29Å; R28-R211 WeakPolarHBondContact CD-O 3.4Å; R28-R211 PolarHBondContact NE-O 3.46Å; R28-R211 VanDerWaalsContact NE-O 3.09Å; R28-R211 PolarHBondContact NH1-O 3.17Å; V32-R211 VanDerWaalsContact CG2-CD 3.45Å; D207-R211 VanDerWaalsContact O-CB 3.32Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 VanDerWaalsContact O-CG 3.23Å; D207-R211 WeakPolarHBondContact O-CG 3.34Å; D207-R211 PolarHBondContact O-N 3.11Å; D207-R211 IonicContact OD1-CZ 3.27Å; D207-R211 IonicContact OD1-NE 3.39Å; D207-R211 PolarHBondContact OD1-NE 3.36Å; D207-R211 IonicContact OD1-NH2 3.08Å; D207-R211 PolarHBondContact OD1-NH2 3.29Å; D207-R211 IonicContact OD2-CZ 2.79Å; D207-R211 IonicContact OD2-NE 2.7Å; D207-R211 PolarHBondContact OD2-NE 2.87Å; D207-R211 IonicContact OD2-NH2 2.8Å; D207-R211 PolarHBondContact OD2-NH2 3.39Å; M208-R211 PolarHBondContact O-N 3.25Å |
| 212 | Y | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 10.9 | 179.9 | -70.7 | -83.4 | 0 | 0 | 0 | 113.6 | V25 R28 Q29 V155 M208 E210 D214 I215 L216 | V25-Y212 HydrophobicContact CG1-CE1 3.71Å; V25-Y212 PolarHBondContact O-OH 3.44Å; R28-Y212 HydrophobicContact CB-CE1 4.05Å; R28-Y212 HydrophobicContact CB-CE2 3.93Å; Q29-Y212 WeakPolarHBondContact CA-OH 3.42Å; Q29-Y212 WeakPolarHBondContact CB-OH 3.23Å; Q29-Y212 PolarHBondContact N-OH 2.88Å; V155-Y212 HydrophobicContact CB-CD1 4.41Å; V155-Y212 HydrophobicContact CG1-CD1 3.79Å; V155-Y212 HydrophobicContact CG1-CD2 3.99Å; V155-Y212 HydrophobicContact CG1-CE1 4.35Å; V155-Y212 HydrophobicContact CG1-CG 3.56Å; V155-Y212 HydrophobicContact CG2-CD1 3.79Å; V155-Y212 HydrophobicContact CG2-CE1 3.68Å; V155-Y212 HydrophobicContact CG2-CG 4.37Å; M208-Y212 HydrophobicContact CE-CD2 3.96Å; M208-Y212 HydrophobicContact CE-CE2 3.71Å; M208-Y212 VanDerWaalsContact O-CB 3.32Å; M208-Y212 WeakPolarHBondContact O-CB 3.42Å; M208-Y212 WeakPolarHBondContact O-CD2 3.36Å; M208-Y212 PolarHBondContact O-N 3.32Å; M208-Y212 HydrophobicContact SD-CD2 3.88Å; M208-Y212 HydrophobicContact SD-CE2 3.53Å; M208-Y212 VanDerWaalsContact SD-CE2 3.53Å; E210-Y212 VanDerWaalsContact C-N 3.28Å; E210-Y212 PolarHBondContact O-N 3.15Å; Y212-D214 PolarHBondContact O-N 3.44Å; Y212-D214 VanDerWaalsContact O-N 3.1Å; Y212-I215 HydrophobicContact CD1-CD1 3.94Å; Y212-I215 HydrophobicContact CD1-CG1 4.47Å; Y212-I215 HydrophobicContact CE1-CD1 4.31Å; Y212-I215 PolarHBondContact O-N 2.82Å; Y212-L216 WeakPolarHBondContact O-CG 3.44Å; Y212-L216 PolarHBondContact O-N 3.33Å |
| 213 | G | 94.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -50.6 | -40.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C209 E210 L216 S217 | C209-G213 WeakPolarHBondContact O-CA 3.33Å; C209-G213 PolarHBondContact O-N 2.86Å; C209-G213 VanDerWaalsContact O-N 3.11Å; E210-G213 PolarHBondContact O-N 3.43Å; G213-L216 PolarHBondContact O-N 2.89Å; G213-S217 VanDerWaalsContact O-CB 3.25Å; G213-S217 WeakPolarHBondContact O-CB 3.38Å; G213-S217 PolarHBondContact O-N 3.43Å; G213-S217 PolarHBondContact O-OG 3.35Å |
| 214 | D | 91.5 | Very high | 93 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -42 | 176.7 | 60.4 | -18.6 | 0 | 0 | 0 | 113.9 | R28 Y212 S217 M218 | R28-D214 IonicContact CZ-OD1 3.86Å; R28-D214 IonicContact CZ-OD2 2.83Å; R28-D214 VanDerWaalsContact NH1-CG 3.31Å; R28-D214 IonicContact NH1-OD1 3.69Å; R28-D214 PolarHBondContact NH1-OD1 3.46Å; R28-D214 IonicContact NH1-OD2 2.87Å; R28-D214 PolarHBondContact NH1-OD2 3.48Å; R28-D214 VanDerWaalsContact NH1-OD2 3.08Å; R28-D214 IonicContact NH2-OD1 2.76Å; R28-D214 PolarHBondContact NH2-OD1 3.32Å; R28-D214 IonicContact NH2-OD2 2.66Å; R28-D214 PolarHBondContact NH2-OD2 3.03Å; Y212-D214 PolarHBondContact O-N 3.44Å; Y212-D214 VanDerWaalsContact O-N 3.1Å; D214-S217 PolarHBondContact O-OG 3.45Å; D214-M218 PolarHBondContact O-N 2.63Å |
| 215 | I | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.2 | -39.2 | 177.1 | -61 | -169.1 | 0 | 0 | 0 | 110.1 | V22 V25 T151 K152 Y212 M218 | V22-I215 HydrophobicContact CG1-CD1 3.64Å; V22-I215 HydrophobicContact CG1-CG1 3.75Å; V25-I215 HydrophobicContact CG2-CD1 3.85Å; T151-I215 HydrophobicContact CG2-CD1 3.82Å; T151-I215 HydrophobicContact CG2-CG2 4.33Å; K152-I215 HydrophobicContact CB-CG2 3.74Å; K152-I215 VanDerWaalsContact CD-O 3.32Å; K152-I215 WeakPolarHBondContact CD-O 3.49Å; K152-I215 HydrophobicContact CG-CG2 4.41Å; K152-I215 WeakPolarHBondContact CG-O 3.21Å; Y212-I215 HydrophobicContact CD1-CD1 3.94Å; Y212-I215 HydrophobicContact CD1-CG1 4.47Å; Y212-I215 HydrophobicContact CE1-CD1 4.31Å; Y212-I215 PolarHBondContact O-N 2.82Å; I215-M218 WeakPolarHBondContact O-CB 3.3Å; I215-M218 PolarHBondContact O-N 3.37Å |
| 216 | L | 95.2 | Very high | 92 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -41.6 | -179.9 | -66.3 | 171.6 | 0 | 0 | 0 | 111.5 | K152 V155 K156 I159 Y212 G213 M218 | K152-L216 WeakPolarHBondContact CE-O 3.4Å; K152-L216 PolarHBondContact NZ-O 2.95Å; V155-L216 HydrophobicContact CG1-CD2 4.21Å; K156-L216 HydrophobicContact CB-CD2 4.08Å; K156-L216 HydrophobicContact CD-CD2 4.09Å; I159-L216 HydrophobicContact CD1-CD1 3.65Å; I159-L216 HydrophobicContact CD1-CD2 4.15Å; I159-L216 HydrophobicContact CD1-CG 4.43Å; Y212-L216 WeakPolarHBondContact O-CG 3.44Å; Y212-L216 PolarHBondContact O-N 3.33Å; G213-L216 PolarHBondContact O-N 2.89Å; L216-M218 VanDerWaalsContact C-N 3.29Å; L216-M218 PolarHBondContact O-N 3.17Å |
| 217 | S | 93.4 | Very high | 91.5 | Very high | 86 Ų | 86 | 51 Ų | 51 | 60% | 0.601 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -78.4 | -10.2 | 178.9 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | G213 D214 M219 | G213-S217 VanDerWaalsContact O-CB 3.25Å; G213-S217 WeakPolarHBondContact O-CB 3.38Å; G213-S217 PolarHBondContact O-N 3.43Å; G213-S217 PolarHBondContact O-OG 3.35Å; D214-S217 PolarHBondContact O-OG 3.45Å; S217-M219 PolarHBondContact O-N 3.46Å; S217-M219 VanDerWaalsContact O-N 3.11Å |
| 218 | M | 90.7 | Very high | 91 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | trans | -58.7 | 116.4 | -179.6 | -174.9 | -177.7 | 67.1 | 0 | 0 | 110.7 | L20 L148 K152 D214 I215 L216 I220 | L20-M218 HydrophobicContact CD2-CG 4.23Å; L20-M218 HydrophobicContact CD2-SD 4.01Å; L148-M218 HydrophobicContact CB-CE 3.86Å; L148-M218 HydrophobicContact CB-SD 3.94Å; L148-M218 HydrophobicContact CD1-SD 4.14Å; K152-M218 HydrophobicContact CB-CE 4.37Å; K152-M218 HydrophobicContact CD-CE 4.33Å; K152-M218 PolarHBondContact NZ-O 2.84Å; D214-M218 PolarHBondContact O-N 2.63Å; I215-M218 WeakPolarHBondContact O-CB 3.3Å; I215-M218 PolarHBondContact O-N 3.37Å; L216-M218 VanDerWaalsContact C-N 3.29Å; L216-M218 PolarHBondContact O-N 3.17Å; M218-I220 HydrophobicContact CE-CD1 4.17Å; M218-I220 HydrophobicContact CE-CG1 3.9Å | ||
| 219 | M | 88.2 | Confident | 90.3 | Very high | 165 Ų | 165 | 57.3 Ų | 57.3 | 81% | 0.813 | 31% | 0.311 | S | S | * | . | trans | -73.4 | 130.6 | 170.8 | -68.9 | -62.6 | -66.8 | 0 | 0 | 108.9 | S217 | S217-M219 PolarHBondContact O-N 3.46Å; S217-M219 VanDerWaalsContact O-N 3.11Å | ||
| 220 | I | 88.4 | Confident | 89.1 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | trans | -107.1 | 110.2 | 173.8 | -61.1 | 162.2 | 0 | 0 | 0 | 105.1 | I149 K152 M218 D222 L225 | I149-I220 HydrophobicContact CB-CD1 4.14Å; I149-I220 HydrophobicContact CD1-CG2 3.8Å; I149-I220 HydrophobicContact CG1-CD1 3.81Å; I149-I220 HydrophobicContact CG1-CG1 4.04Å; I149-I220 HydrophobicContact CG1-CG2 4.04Å; I149-I220 HydrophobicContact CG2-CD1 3.89Å; K152-I220 HydrophobicContact CD-CD1 3.97Å; M218-I220 HydrophobicContact CE-CD1 4.17Å; M218-I220 HydrophobicContact CE-CG1 3.9Å; I220-D222 PolarHBondContact O-N 3.12Å; I220-L225 HydrophobicContact CG2-CD1 4.15Å; I220-L225 HydrophobicContact CG2-CD2 4.34Å; I220-L225 HydrophobicContact CG2-CG 4.04Å | ||
| 221 | P | 85.7 | Confident | 88.2 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | trans | -61.3 | 136.3 | 176.6 | -20.8 | 32.2 | 0 | 0 | 0 | 110.3 | W223 V224 | P221-W223 HydrophobicContact CB-CG 4.2Å; P221-W223 VanDerWaalsContact CB-NE1 3.26Å; P221-W223 PolarHBondContact O-N 2.84Å; P221-V224 HydrophobicContact CB-CG2 4.18Å; P221-V224 HydrophobicContact CG-CG2 4.28Å; P221-V224 WeakPolarHBondContact O-CB 3.32Å; P221-V224 PolarHBondContact O-N 3.22Å | ||
| 222 | D | 86.6 | Confident | 87.3 | Confident | 97 Ų | 97 | 50.8 Ų | 50.8 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.6 | -34.4 | -176.5 | -67.4 | -30.2 | 0 | 0 | 0 | 111.8 | I220 V224 L225 D226 C230 | I220-D222 PolarHBondContact O-N 3.12Å; D222-V224 PolarHBondContact O-N 3.11Å; D222-V224 VanDerWaalsContact O-N 3.16Å; D222-L225 PolarHBondContact O-N 2.94Å; D222-D226 PolarHBondContact O-N 3Å; D222-C230 HydrophobicContact CB-CB 3.99Å |
| 223 | W | 86.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 54 Ų | 54 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -21.7 | 177.4 | 75.1 | -99.9 | 0 | 0 | 0 | 113.7 | P221 L225 D226 P227 C230 V234 W263 L275 | P221-W223 HydrophobicContact CB-CG 4.2Å; P221-W223 VanDerWaalsContact CB-NE1 3.26Å; P221-W223 PolarHBondContact O-N 2.84Å; W223-L225 VanDerWaalsContact C-N 3.34Å; W223-D226 CarbonylContact O-C 3.55Å; W223-P227 WeakPolarHBondContact O-CA 3.34Å; W223-P227 WeakPolarHBondContact O-CB 3.22Å; W223-P227 VanDerWaalsContact O-CD 3.26Å; W223-P227 WeakPolarHBondContact O-CD 3.24Å; W223-C230 WeakPolarHBondContact CB-O 3.25Å; W223-V234 HydrophobicContact CB-CG2 4.2Å; W223-V234 HydrophobicContact CD2-CG2 3.93Å; W223-V234 HydrophobicContact CG-CG2 3.62Å; W223-W263 HydrophobicContact CE3-CH2 4.01Å; W223-W263 HydrophobicContact CE3-CZ2 4.04Å; W223-W263 AromaticContact CZ3-CH2 3.65Å; W223-W263 HydrophobicContact CZ3-CH2 3.65Å; W223-W263 AromaticContact CZ3-CZ2 3.94Å; W223-W263 HydrophobicContact CZ3-CZ2 3.94Å; W223-W263 HydrophobicContact CZ3-CZ3 4.45Å; W223-L275 HydrophobicContact CH2-CD2 4.12Å; W223-L275 HydrophobicContact CZ3-CD2 4.09Å |
| 224 | V | 87.8 | Confident | 85.7 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.8 | -30.9 | 174.1 | 176 | 0 | 0 | 0 | 0 | 111 | I149 P221 D222 W263 | I149-V224 HydrophobicContact CD1-CG1 4.07Å; P221-V224 HydrophobicContact CB-CG2 4.18Å; P221-V224 HydrophobicContact CG-CG2 4.28Å; P221-V224 WeakPolarHBondContact O-CB 3.32Å; P221-V224 PolarHBondContact O-N 3.22Å; D222-V224 PolarHBondContact O-N 3.11Å; D222-V224 VanDerWaalsContact O-N 3.16Å; V224-W263 PolarHBondContact O-NE1 3.08Å |
| 225 | L | 88.4 | Confident | 85.2 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -87.2 | -38.2 | 178.6 | -62.1 | 177.9 | 0 | 0 | 0 | 111.6 | I149 I220 D222 W223 Y259 | I149-L225 HydrophobicContact CD1-CD2 3.9Å; I149-L225 HydrophobicContact CG2-CD2 4.32Å; I220-L225 HydrophobicContact CG2-CD1 4.15Å; I220-L225 HydrophobicContact CG2-CD2 4.34Å; I220-L225 HydrophobicContact CG2-CG 4.04Å; D222-L225 PolarHBondContact O-N 2.94Å; W223-L225 VanDerWaalsContact C-N 3.34Å; L225-Y259 HydrophobicContact CD2-CD1 4.13Å; L225-Y259 HydrophobicContact CD2-CE1 4.05Å; L225-Y259 HydrophobicContact CD2-CG 4.41Å |
| 226 | D | 87.1 | Confident | 84.6 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | trans | -137.2 | 80.5 | 178.3 | -168.2 | -3.4 | 0 | 0 | 0 | 111.3 | D222 W223 F228 T229 | D222-D226 PolarHBondContact O-N 3Å; W223-D226 CarbonylContact O-C 3.55Å; D226-F228 PolarHBondContact O-N 3.05Å; D226-F228 VanDerWaalsContact O-N 3.1Å; D226-F228 PolarHBondContact OD1-N 3.37Å; D226-T229 PolarHBondContact O-N 3.23Å; D226-T229 WeakPolarHBondContact OD2-CB 3.48Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.48Å; D226-T229 PolarHBondContact OD2-OG1 3.35Å | ||
| 227 | P | 86.3 | Confident | 84 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.6 | 178.6 | 18.7 | -30.8 | 0 | 0 | 0 | 114 | W223 M245 Q246 I255 F262 W263 | W223-P227 WeakPolarHBondContact O-CA 3.34Å; W223-P227 WeakPolarHBondContact O-CB 3.22Å; W223-P227 VanDerWaalsContact O-CD 3.26Å; W223-P227 WeakPolarHBondContact O-CD 3.24Å; P227-M245 HydrophobicContact CB-CE 3.37Å; P227-M245 HydrophobicContact CB-SD 4.03Å; P227-M245 HydrophobicContact CG-CE 4.5Å; P227-Q246 WeakPolarHBondContact O-CG 3.27Å; P227-Q246 PolarHBondContact O-NE2 3.14Å; P227-I255 HydrophobicContact CG-CD1 3.33Å; P227-F262 HydrophobicContact CG-CD1 4.29Å; P227-F262 HydrophobicContact CG-CE1 3.81Å; P227-F262 HydrophobicContact CG-CZ 4.44Å; P227-W263 HydrophobicContact CB-CH2 3.91Å; P227-W263 HydrophobicContact CB-CZ2 3.71Å; P227-W263 HydrophobicContact CG-CH2 4.28Å; P227-W263 HydrophobicContact CG-CZ2 3.74Å |
| 228 | F | 86.7 | Confident | 83.4 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -15.1 | -173.4 | -66.1 | -82.1 | 0 | 0 | 0 | 114.1 | D226 M245 L251 K252 I255 F262 | D226-F228 PolarHBondContact O-N 3.05Å; D226-F228 VanDerWaalsContact O-N 3.1Å; D226-F228 PolarHBondContact OD1-N 3.37Å; F228-M245 HydrophobicContact CE1-CG 4.46Å; F228-M245 WeakPolarHBondContact CE1-O 3.39Å; F228-L251 HydrophobicContact CE1-CB 4.08Å; F228-L251 HydrophobicContact CZ-CB 3.71Å; F228-K252 HydrophobicContact CD1-CD 4.41Å; F228-K252 HydrophobicContact CD1-CG 3.54Å; F228-K252 HydrophobicContact CE1-CG 3.64Å; F228-K252 HydrophobicContact CG-CG 4.09Å; F228-K252 HydrophobicContact CZ-CG 4.29Å; F228-I255 HydrophobicContact CD2-CB 4.39Å; F228-I255 HydrophobicContact CD2-CD1 4.01Å; F228-I255 HydrophobicContact CD2-CG2 3.83Å; F228-I255 HydrophobicContact CE2-CB 3.86Å; F228-I255 HydrophobicContact CE2-CD1 3.89Å; F228-I255 HydrophobicContact CE2-CG2 3.67Å; F228-F262 HydrophobicContact CE2-CE2 4.09Å; F228-F262 AromaticContact CE2-CZ 3.94Å; F228-F262 HydrophobicContact CE2-CZ 3.94Å; F228-F262 HydrophobicContact CZ-CE2 4.02Å; F228-F262 AromaticContact CZ-CZ 3.87Å; F228-F262 HydrophobicContact CZ-CZ 3.87Å |
| 229 | T | 80.8 | Confident | 83.1 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -15.7 | -172.3 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | D226 | D226-T229 PolarHBondContact O-N 3.23Å; D226-T229 WeakPolarHBondContact OD2-CB 3.48Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.48Å; D226-T229 PolarHBondContact OD2-OG1 3.35Å |
| 230 | C | 72.1 | Confident | 83.1 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | trans | -132.7 | 128.2 | -175.1 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | D222 W223 A232 | D222-C230 HydrophobicContact CB-CB 3.99Å; W223-C230 WeakPolarHBondContact CB-O 3.25Å; C230-A232 WeakPolarHBondContact SG-CB 3.42Å; C230-A232 PolarHBondContact SG-N 3.3Å; C230-A232 VanDerWaalsContact SG-N 3.36Å | ||
| 231 | L | 77.7 | Confident | 83.2 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | trans | -106 | 2.2 | 166.3 | -68.5 | 171.1 | 0 | 0 | 0 | 111.9 | G233 V234 P242 I243 | L231-G233 PolarHBondContact O-N 2.91Å; L231-V234 HydrophobicContact CD2-CG2 4.39Å; L231-V234 WeakPolarHBondContact O-CG2 3.3Å; L231-V234 PolarHBondContact O-N 3.26Å; L231-V234 VanDerWaalsContact O-N 3.16Å; L231-P242 HydrophobicContact CD2-CB 3.67Å; L231-P242 HydrophobicContact CD2-CG 3.98Å; L231-I243 HydrophobicContact CD1-CD1 4.35Å; L231-I243 HydrophobicContact CD1-CG1 3.69Å; L231-I243 HydrophobicContact CD2-CG1 4.43Å | ||
| 232 | A | 76.6 | Confident | 83.3 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 51% | 0.512 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 128.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | C230 V234 | C230-A232 WeakPolarHBondContact SG-CB 3.42Å; C230-A232 PolarHBondContact SG-N 3.3Å; C230-A232 VanDerWaalsContact SG-N 3.36Å; A232-V234 VanDerWaalsContact C-N 3.35Å |
| 233 | G | 76.8 | Confident | 83.3 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 2.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L231 | L231-G233 PolarHBondContact O-N 2.91Š|
| 234 | V | 79.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | trans | -74.2 | 125.7 | 167.1 | -177.4 | 0 | 0 | 0 | 0 | 109 | W223 L231 A232 N238 Q239 P242 | W223-V234 HydrophobicContact CB-CG2 4.2Å; W223-V234 HydrophobicContact CD2-CG2 3.93Å; W223-V234 HydrophobicContact CG-CG2 3.62Å; L231-V234 HydrophobicContact CD2-CG2 4.39Å; L231-V234 WeakPolarHBondContact O-CG2 3.3Å; L231-V234 PolarHBondContact O-N 3.26Å; L231-V234 VanDerWaalsContact O-N 3.16Å; A232-V234 VanDerWaalsContact C-N 3.35Å; V234-N238 HydrophobicContact CG1-CB 4.25Å; V234-N238 WeakPolarHBondContact CG1-O 3.36Å; V234-Q239 HydrophobicContact CB-CG 4.31Å; V234-Q239 HydrophobicContact CG1-CG 3.94Å; V234-Q239 PolarHBondContact O-NE2 3.11Å; V234-P242 HydrophobicContact CG1-CG 3.89Å; V234-P242 HydrophobicContact CG2-CG 4.37Å | ||
| 235 | E | 80.4 | Confident | 83.7 | Confident | 133 Ų | 133 | 60.2 Ų | 60.2 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | trans | -59.9 | 140.9 | 175 | -69 | -174.1 | 166.5 | 0 | 0 | 111.2 | A237 N238 Q239 | E235-A237 PolarHBondContact O-N 2.58Å; E235-N238 PolarHBondContact O-N 3.39Å; E235-Q239 PolarHBondContact O-N 3.28Å | ||
| 236 | A | 81.7 | Confident | 83.7 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 69% | 0.686 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -52.9 | -34.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N238 | A236-N238 PolarHBondContact O-N 2.98Š|
| 237 | A | 82.6 | Confident | 83.8 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -66.2 | -20.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E235 | E235-A237 PolarHBondContact O-N 2.58Š|
| 238 | N | 81.2 | Confident | 84 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -117.2 | 17.7 | -173.5 | -59.6 | -27.4 | 0 | 0 | 0 | 112.1 | V234 E235 A236 P242 | V234-N238 HydrophobicContact CG1-CB 4.25Å; V234-N238 WeakPolarHBondContact CG1-O 3.36Å; E235-N238 PolarHBondContact O-N 3.39Å; A236-N238 PolarHBondContact O-N 2.98Å; N238-P242 WeakPolarHBondContact O-CD 3.28Å; N238-P242 WeakPolarHBondContact O-CG 3.39Å |
| 239 | Q | 84 | Confident | 84.1 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -77.7 | -24.3 | -176.9 | -74.6 | -178.7 | -13.3 | 0 | 0 | 114.1 | V234 E235 P242 I243 | V234-Q239 HydrophobicContact CB-CG 4.31Å; V234-Q239 HydrophobicContact CG1-CG 3.94Å; V234-Q239 PolarHBondContact O-NE2 3.11Å; E235-Q239 PolarHBondContact O-N 3.28Å; Q239-P242 WeakPolarHBondContact O-CD 3.44Å; Q239-I243 WeakPolarHBondContact O-CD1 3.37Å; Q239-I243 VanDerWaalsContact O-CG1 3.22Å; Q239-I243 WeakPolarHBondContact O-CG1 3.41Å; Q239-I243 PolarHBondContact O-N 3.28Å |
| 240 | E | 88.4 | Confident | 84.5 | Confident | 126 Ų | 126 | 67.9 Ų | 67.9 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.5 | -54.4 | -177 | -66 | 177.3 | 176.4 | 0 | 0 | 112.2 | I243 E244 | E240-I243 WeakPolarHBondContact O-CB 3.37Å; E240-I243 PolarHBondContact O-N 3.39Å; E240-I243 VanDerWaalsContact O-N 3.09Å; E240-E244 PolarHBondContact O-N 3.19Å |
| 241 | E | 90.2 | Very high | 85.3 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | -178.7 | -69.7 | -173.3 | -173.4 | 0 | 0 | 114.5 | I243 E244 M245 Y272 P273 R274 L275 | E241-I243 VanDerWaalsContact C-N 3.32Å; E241-I243 PolarHBondContact O-N 3.1Å; E241-E244 PolarHBondContact O-N 3.01Å; E241-M245 WeakPolarHBondContact O-CB 3.49Å; E241-M245 PolarHBondContact O-N 2.87Å; E241-Y272 HydrophobicContact CB-CD1 4.01Å; E241-Y272 HydrophobicContact CG-CD1 4.45Å; E241-Y272 WeakPolarHBondContact OE2-CA 3.46Å; E241-Y272 WeakPolarHBondContact OE2-CB 3.42Å; E241-P273 WeakPolarHBondContact OE1-CD 3.49Å; E241-R274 VanDerWaalsContact CD-CB 3.47Å; E241-R274 VanDerWaalsContact OE1-CB 3.32Å; E241-R274 WeakPolarHBondContact OE1-CB 3Å; E241-R274 WeakPolarHBondContact OE1-CD 3.35Å; E241-R274 WeakPolarHBondContact OE1-CG 3.33Å; E241-R274 PolarHBondContact OE1-N 3.45Å; E241-R274 VanDerWaalsContact OE1-N 3.16Å; E241-R274 WeakPolarHBondContact OE2-CA 3.46Å; E241-R274 WeakPolarHBondContact OE2-CB 3.47Å; E241-R274 PolarHBondContact OE2-N 2.92Å; E241-L275 HydrophobicContact CB-CD1 4.19Å; E241-L275 HydrophobicContact CB-CG 4.08Å; E241-L275 PolarHBondContact OE2-N 3.17Å |
| 242 | P | 87.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.013 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.5 | -26.9 | 175.8 | 20.2 | -24 | 0 | 0 | 0 | 113 | L231 V234 N238 Q239 M245 Q246 L275 | L231-P242 HydrophobicContact CD2-CB 3.67Å; L231-P242 HydrophobicContact CD2-CG 3.98Å; V234-P242 HydrophobicContact CG1-CG 3.89Å; V234-P242 HydrophobicContact CG2-CG 4.37Å; N238-P242 WeakPolarHBondContact O-CD 3.28Å; N238-P242 WeakPolarHBondContact O-CG 3.39Å; Q239-P242 WeakPolarHBondContact O-CD 3.44Å; P242-M245 HydrophobicContact CB-CE 4.12Å; P242-Q246 VanDerWaalsContact O-CB 3.29Å; P242-Q246 WeakPolarHBondContact O-CB 3.34Å; P242-Q246 WeakPolarHBondContact O-CG 3.49Å; P242-Q246 PolarHBondContact O-N 2.98Å; P242-L275 HydrophobicContact CB-CD1 4.28Å; P242-L275 HydrophobicContact CG-CD2 4.14Å |
| 243 | I | 88 | Confident | 86.2 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 46% | 0.456 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 169.7 | -69.1 | 165.4 | 0 | 0 | 0 | 110.4 | L231 Q239 E240 E241 Q246 A247 | L231-I243 HydrophobicContact CD1-CD1 4.35Å; L231-I243 HydrophobicContact CD1-CG1 3.69Å; L231-I243 HydrophobicContact CD2-CG1 4.43Å; Q239-I243 WeakPolarHBondContact O-CD1 3.37Å; Q239-I243 VanDerWaalsContact O-CG1 3.22Å; Q239-I243 WeakPolarHBondContact O-CG1 3.41Å; Q239-I243 PolarHBondContact O-N 3.28Å; E240-I243 WeakPolarHBondContact O-CB 3.37Å; E240-I243 PolarHBondContact O-N 3.39Å; E240-I243 VanDerWaalsContact O-N 3.09Å; E241-I243 VanDerWaalsContact C-N 3.32Å; E241-I243 PolarHBondContact O-N 3.1Å; I243-Q246 WeakPolarHBondContact O-CB 3.39Å; I243-Q246 PolarHBondContact O-N 3.49Å; I243-A247 PolarHBondContact O-N 3.39Å |
| 244 | E | 90.6 | Very high | 86.7 | Confident | 116 Ų | 116 | 68 Ų | 68 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.6 | -69.3 | 178.7 | 179.7 | 0 | 0 | 111.8 | E240 E241 A247 N248 Y272 | E240-E244 PolarHBondContact O-N 3.19Å; E241-E244 PolarHBondContact O-N 3.01Å; E244-A247 PolarHBondContact O-N 3.37Å; E244-N248 PolarHBondContact O-N 2.86Å; E244-Y272 HydrophobicContact CB-CE1 4.04Å |
| 245 | M | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.2 | -177 | -178.1 | 47.5 | 0 | 0 | 111.7 | P227 F228 E241 P242 A247 N248 L251 F262 W263 Y272 L275 | P227-M245 HydrophobicContact CB-CE 3.37Å; P227-M245 HydrophobicContact CB-SD 4.03Å; P227-M245 HydrophobicContact CG-CE 4.5Å; F228-M245 HydrophobicContact CE1-CG 4.46Å; F228-M245 WeakPolarHBondContact CE1-O 3.39Å; E241-M245 WeakPolarHBondContact O-CB 3.49Å; E241-M245 PolarHBondContact O-N 2.87Å; P242-M245 HydrophobicContact CB-CE 4.12Å; M245-A247 VanDerWaalsContact C-N 3.28Å; M245-A247 PolarHBondContact O-N 3.37Å; M245-N248 WeakPolarHBondContact O-CB 3.46Å; M245-N248 PolarHBondContact O-N 3.11Å; M245-N248 VanDerWaalsContact O-N 3.08Å; M245-L251 HydrophobicContact CG-CD1 4.14Å; M245-F262 HydrophobicContact CG-CZ 4.46Å; M245-F262 HydrophobicContact SD-CE1 3.87Å; M245-F262 HydrophobicContact SD-CZ 3.81Å; M245-W263 HydrophobicContact CE-CH2 3.79Å; M245-W263 HydrophobicContact CE-CZ3 4.39Å; M245-W263 HydrophobicContact SD-CH2 3.98Å; M245-W263 HydrophobicContact SD-CZ3 4.11Å; M245-Y272 WeakPolarHBondContact CA-OH 3.5Å; M245-Y272 HydrophobicContact CB-CD1 4.21Å; M245-Y272 HydrophobicContact CB-CD2 4.27Å; M245-Y272 HydrophobicContact CB-CE1 3.78Å; M245-Y272 HydrophobicContact CB-CE2 3.85Å; M245-Y272 HydrophobicContact CB-CG 4.44Å; M245-Y272 HydrophobicContact CG-CD2 4.3Å; M245-Y272 HydrophobicContact CG-CE2 3.84Å; M245-Y272 HydrophobicContact SD-CD2 4.37Å; M245-Y272 HydrophobicContact SD-CE2 4.43Å; M245-L275 HydrophobicContact CE-CD1 3.77Å; M245-L275 HydrophobicContact SD-CD1 4.35Å |
| 246 | Q | 89.6 | Confident | 87.1 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 176.3 | -82.9 | 173 | 6.7 | 0 | 0 | 112.8 | P227 P242 I243 N248 | P227-Q246 WeakPolarHBondContact O-CG 3.27Å; P227-Q246 PolarHBondContact O-NE2 3.14Å; P242-Q246 VanDerWaalsContact O-CB 3.29Å; P242-Q246 WeakPolarHBondContact O-CB 3.34Å; P242-Q246 WeakPolarHBondContact O-CG 3.49Å; P242-Q246 PolarHBondContact O-N 2.98Å; I243-Q246 WeakPolarHBondContact O-CB 3.39Å; I243-Q246 PolarHBondContact O-N 3.49Å; Q246-N248 VanDerWaalsContact C-N 3.27Å; Q246-N248 PolarHBondContact O-N 3.48Å |
| 247 | A | 89.7 | Confident | 87.1 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 60% | 0.595 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -75.3 | -14.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I243 E244 M245 E249 | I243-A247 PolarHBondContact O-N 3.39Å; E244-A247 PolarHBondContact O-N 3.37Å; M245-A247 VanDerWaalsContact C-N 3.28Å; M245-A247 PolarHBondContact O-N 3.37Å; A247-E249 PolarHBondContact O-N 3.28Å; A247-E249 VanDerWaalsContact O-N 3.11Å |
| 248 | N | 89.7 | Confident | 87.3 | Confident | 39 Ų | 39 | 68.3 Ų | 68.3 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | trans | -80.2 | 93.9 | -178.9 | -167.9 | -22.2 | 0 | 0 | 0 | 111.6 | E244 M245 Q246 E250 L251 Y272 | E244-N248 PolarHBondContact O-N 2.86Å; M245-N248 WeakPolarHBondContact O-CB 3.46Å; M245-N248 PolarHBondContact O-N 3.11Å; M245-N248 VanDerWaalsContact O-N 3.08Å; Q246-N248 VanDerWaalsContact C-N 3.27Å; Q246-N248 PolarHBondContact O-N 3.48Å; N248-E250 PolarHBondContact O-N 2.87Å; N248-E250 WeakPolarHBondContact OD1-CB 3.33Å; N248-E250 PolarHBondContact OD1-N 2.88Å; N248-E250 VanDerWaalsContact OD1-N 3.09Å; N248-L251 HydrophobicContact CB-CB 4.45Å; N248-L251 HydrophobicContact CB-CD1 3.94Å; N248-L251 HydrophobicContact CB-CG 4.11Å; N248-L251 WeakPolarHBondContact ND2-CD1 3.47Å; N248-L251 PolarHBondContact O-N 2.91Å; N248-Y272 PolarHBondContact ND2-OH 3.37Å | ||
| 249 | E | 88.7 | Confident | 87.7 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.3 | 178.6 | -63.9 | -63.2 | 157.9 | 0 | 0 | 113.6 | A247 L251 K252 P253 | A247-E249 PolarHBondContact O-N 3.28Å; A247-E249 VanDerWaalsContact O-N 3.11Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 3.28Å; E249-K252 IonicContact OE1-NZ 3.17Å; E249-K252 PolarHBondContact OE1-NZ 3.14Å; E249-K252 VanDerWaalsContact OE2-CD 3.29Å; E249-K252 WeakPolarHBondContact OE2-CD 3.41Å; E249-K252 WeakPolarHBondContact OE2-CE 3.43Å; E249-K252 IonicContact OE2-NZ 3.84Å; E249-K252 PolarHBondContact OE2-NZ 2.81Å; E249-P253 WeakPolarHBondContact O-CD 3.39Å |
| 250 | E | 89.2 | Confident | 87.9 | Confident | 155 Ų | 155 | 65.6 Ų | 65.6 | 72% | 0.724 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23 | 178.9 | -58.6 | -170.8 | 169.8 | 0 | 0 | 112.4 | N248 P253 | N248-E250 PolarHBondContact O-N 2.87Å; N248-E250 WeakPolarHBondContact OD1-CB 3.33Å; N248-E250 PolarHBondContact OD1-N 2.88Å; N248-E250 VanDerWaalsContact OD1-N 3.09Å; E250-P253 WeakPolarHBondContact O-CD 3.39Å |
| 251 | L | 89.1 | Confident | 87.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -23.8 | -179.9 | -63.5 | -179 | 0 | 0 | 0 | 113.4 | F228 M245 N248 E249 K254 I255 F262 I268 Y272 | F228-L251 HydrophobicContact CE1-CB 4.08Å; F228-L251 HydrophobicContact CZ-CB 3.71Å; M245-L251 HydrophobicContact CG-CD1 4.14Å; N248-L251 HydrophobicContact CB-CB 4.45Å; N248-L251 HydrophobicContact CB-CD1 3.94Å; N248-L251 HydrophobicContact CB-CG 4.11Å; N248-L251 WeakPolarHBondContact ND2-CD1 3.47Å; N248-L251 PolarHBondContact O-N 2.91Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 3.28Å; L251-K254 HydrophobicContact CD2-CD 3.9Å; L251-K254 WeakPolarHBondContact O-CB 3.49Å; L251-K254 PolarHBondContact O-N 3.34Å; L251-I255 PolarHBondContact O-N 2.81Å; L251-F262 HydrophobicContact CB-CE2 4.2Å; L251-I268 HydrophobicContact CD1-CD1 3.71Å; L251-I268 HydrophobicContact CD2-CD1 3.74Å; L251-I268 HydrophobicContact CG-CD1 4.29Å; L251-Y272 HydrophobicContact CD1-CE2 3.59Å; L251-Y272 WeakPolarHBondContact CD1-OH 3.38Å |
| 252 | K | 86.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.2 | -179.4 | -69 | -175.5 | -170.8 | 166.6 | 0 | 114.4 | F228 E249 K254 I255 | F228-K252 HydrophobicContact CD1-CD 4.41Å; F228-K252 HydrophobicContact CD1-CG 3.54Å; F228-K252 HydrophobicContact CE1-CG 3.64Å; F228-K252 HydrophobicContact CG-CG 4.09Å; F228-K252 HydrophobicContact CZ-CG 4.29Å; E249-K252 IonicContact OE1-NZ 3.17Å; E249-K252 PolarHBondContact OE1-NZ 3.14Å; E249-K252 VanDerWaalsContact OE2-CD 3.29Å; E249-K252 WeakPolarHBondContact OE2-CD 3.41Å; E249-K252 WeakPolarHBondContact OE2-CE 3.43Å; E249-K252 IonicContact OE2-NZ 3.84Å; E249-K252 PolarHBondContact OE2-NZ 2.81Å; K252-K254 VanDerWaalsContact C-N 3.29Å; K252-K254 PolarHBondContact O-N 3.1Å; K252-I255 WeakPolarHBondContact O-CG2 3.4Å |
| 253 | P | 86.9 | Confident | 88.1 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.8 | 174.1 | -23 | 34.5 | 0 | 0 | 0 | 113 | E249 E250 K256 | E249-P253 WeakPolarHBondContact O-CD 3.39Å; E250-P253 WeakPolarHBondContact O-CD 3.39Å; P253-K256 WeakPolarHBondContact O-CB 3.45Å; P253-K256 PolarHBondContact O-N 3.35Å |
| 254 | K | 85.9 | Confident | 88.1 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -69 | -37.2 | -174.3 | -64.3 | -177.4 | 167 | -166.2 | 0 | 112.6 | L251 K252 K256 G257 F262 E265 E267 | L251-K254 HydrophobicContact CD2-CD 3.9Å; L251-K254 WeakPolarHBondContact O-CB 3.49Å; L251-K254 PolarHBondContact O-N 3.34Å; K252-K254 VanDerWaalsContact C-N 3.29Å; K252-K254 PolarHBondContact O-N 3.1Å; K254-K256 PolarHBondContact O-N 3.35Å; K254-K256 VanDerWaalsContact O-N 3.13Å; K254-G257 PolarHBondContact O-N 3.02Å; K254-F262 HydrophobicContact CB-CD2 4.22Å; K254-E265 WeakPolarHBondContact CD-OE2 3.23Å; K254-E265 IonicContact NZ-OE2 2.72Å; K254-E265 PolarHBondContact NZ-OE2 3.15Å; K254-E267 IonicContact NZ-OE1 2.6Å; K254-E267 IonicContact NZ-OE2 3.65Å; K254-E267 PolarHBondContact NZ-OE2 3.23Å |
| 255 | I | 86.9 | Confident | 88 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -66.1 | -16.9 | 178.4 | -162.4 | 158.6 | 0 | 0 | 0 | 113.8 | P227 F228 L251 K252 G257 G258 F262 | P227-I255 HydrophobicContact CG-CD1 3.33Å; F228-I255 HydrophobicContact CD2-CB 4.39Å; F228-I255 HydrophobicContact CD2-CD1 4.01Å; F228-I255 HydrophobicContact CD2-CG2 3.83Å; F228-I255 HydrophobicContact CE2-CB 3.86Å; F228-I255 HydrophobicContact CE2-CD1 3.89Å; F228-I255 HydrophobicContact CE2-CG2 3.67Å; L251-I255 PolarHBondContact O-N 2.81Å; K252-I255 WeakPolarHBondContact O-CG2 3.4Å; I255-G257 PolarHBondContact O-N 3.45Å; I255-G257 VanDerWaalsContact O-N 3.12Å; I255-G258 WeakPolarHBondContact O-CA 3.28Å; I255-G258 PolarHBondContact O-N 3.04Å; I255-F262 HydrophobicContact CB-CB 4.48Å; I255-F262 HydrophobicContact CB-CD2 3.97Å; I255-F262 HydrophobicContact CB-CE2 4.44Å; I255-F262 HydrophobicContact CB-CG 4.19Å; I255-F262 HydrophobicContact CD1-CD1 4.16Å; I255-F262 HydrophobicContact CD1-CG 4.25Å; I255-F262 HydrophobicContact CG1-CB 4.22Å; I255-F262 HydrophobicContact CG1-CD2 4.44Å; I255-F262 HydrophobicContact CG1-CG 4.15Å |
| 256 | K | 83 | Confident | 88 | Confident | 185 Ų | 185 | 68.4 Ų | 68.4 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -60.7 | -20.9 | 172.6 | -62.6 | -175.9 | 177.7 | 179.1 | 0 | 112.6 | P253 K254 G258 | P253-K256 WeakPolarHBondContact O-CB 3.45Å; P253-K256 PolarHBondContact O-N 3.35Å; K254-K256 PolarHBondContact O-N 3.35Å; K254-K256 VanDerWaalsContact O-N 3.13Å; K256-G258 PolarHBondContact O-N 3.2Å |
| 257 | G | 82 | Confident | 88.1 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 64% | 0.639 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -72.7 | -5.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K254 I255 S261 | K254-G257 PolarHBondContact O-N 3.02Å; I255-G257 PolarHBondContact O-N 3.45Å; I255-G257 VanDerWaalsContact O-N 3.12Å; G257-S261 PolarHBondContact O-OG 2.98Å |
| 258 | G | 87.3 | Confident | 88.2 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 32% | 0.32 | 35% | 0.35 | S | S | . | . | trans | 105.7 | 147.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I255 K256 T260 S261 F262 | I255-G258 WeakPolarHBondContact O-CA 3.28Å; I255-G258 PolarHBondContact O-N 3.04Å; K256-G258 PolarHBondContact O-N 3.2Å; G258-T260 PolarHBondContact O-N 3.23Å; G258-T260 VanDerWaalsContact O-N 3.16Å; G258-S261 PolarHBondContact O-N 3.37Å; G258-S261 PolarHBondContact O-OG 3.24Å; G258-F262 PolarHBondContact O-N 3Å; G258-F262 VanDerWaalsContact O-N 3.16Å | ||
| 259 | Y | 88.7 | Confident | 88.1 | Confident | 48 Ų | 48 | 73 Ų | 73 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.6 | -34.3 | -180 | 70 | -92.6 | 0 | 0 | 0 | 112.9 | N147 I149 L225 F262 W263 | N147-Y259 PolarHBondContact ND2-OH 2.99Å; I149-Y259 HydrophobicContact CD1-CE2 3.88Å; L225-Y259 HydrophobicContact CD2-CD1 4.13Å; L225-Y259 HydrophobicContact CD2-CE1 4.05Å; L225-Y259 HydrophobicContact CD2-CG 4.41Å; Y259-F262 PolarHBondContact O-N 3.5Å; Y259-W263 PolarHBondContact O-N 3.44Å |
| 260 | T | 88 | Confident | 88.2 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 17% | 0.166 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.3 | -45.7 | -176.2 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | N147 G258 L264 | N147-T260 PolarHBondContact ND2-OG1 3.27Å; N147-T260 VanDerWaalsContact ND2-OG1 3.16Å; G258-T260 PolarHBondContact O-N 3.23Å; G258-T260 VanDerWaalsContact O-N 3.16Å; T260-L264 HydrophobicContact CG2-CD1 4.14Å; T260-L264 WeakPolarHBondContact O-CD1 3.38Å; T260-L264 VanDerWaalsContact O-CG 3.23Å; T260-L264 WeakPolarHBondContact O-CG 3.22Å; T260-L264 PolarHBondContact O-N 3.07Å |
| 261 | S | 87.9 | Confident | 88.3 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.1 | 38.6 | 0 | 0 | 0 | 0 | 110.5 | G257 G258 W263 L264 E265 | G257-S261 PolarHBondContact O-OG 2.98Å; G258-S261 PolarHBondContact O-N 3.37Å; G258-S261 PolarHBondContact O-OG 3.24Å; S261-W263 PolarHBondContact O-N 2.87Å; S261-L264 PolarHBondContact O-N 3.21Å; S261-L264 VanDerWaalsContact O-N 3.12Å; S261-E265 PolarHBondContact O-N 3.33Å |
| 262 | F | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -52.5 | -55.9 | 176.7 | 178.4 | -98.9 | 0 | 0 | 0 | 112.4 | P227 F228 M245 L251 K254 I255 G258 Y259 L264 E265 I268 | P227-F262 HydrophobicContact CG-CD1 4.29Å; P227-F262 HydrophobicContact CG-CE1 3.81Å; P227-F262 HydrophobicContact CG-CZ 4.44Å; F228-F262 HydrophobicContact CE2-CE2 4.09Å; F228-F262 AromaticContact CE2-CZ 3.94Å; F228-F262 HydrophobicContact CE2-CZ 3.94Å; F228-F262 HydrophobicContact CZ-CE2 4.02Å; F228-F262 AromaticContact CZ-CZ 3.87Å; F228-F262 HydrophobicContact CZ-CZ 3.87Å; M245-F262 HydrophobicContact CG-CZ 4.46Å; M245-F262 HydrophobicContact SD-CE1 3.87Å; M245-F262 HydrophobicContact SD-CZ 3.81Å; L251-F262 HydrophobicContact CB-CE2 4.2Å; K254-F262 HydrophobicContact CB-CD2 4.22Å; I255-F262 HydrophobicContact CB-CB 4.48Å; I255-F262 HydrophobicContact CB-CD2 3.97Å; I255-F262 HydrophobicContact CB-CE2 4.44Å; I255-F262 HydrophobicContact CB-CG 4.19Å; I255-F262 HydrophobicContact CD1-CD1 4.16Å; I255-F262 HydrophobicContact CD1-CG 4.25Å; I255-F262 HydrophobicContact CG1-CB 4.22Å; I255-F262 HydrophobicContact CG1-CD2 4.44Å; I255-F262 HydrophobicContact CG1-CG 4.15Å; G258-F262 PolarHBondContact O-N 3Å; G258-F262 VanDerWaalsContact O-N 3.16Å; Y259-F262 PolarHBondContact O-N 3.5Å; F262-L264 PolarHBondContact O-N 3.45Å; F262-L264 VanDerWaalsContact O-N 3.17Å; F262-E265 WeakPolarHBondContact O-CB 3.39Å; F262-E265 PolarHBondContact O-N 2.89Å; F262-E265 VanDerWaalsContact O-N 3.11Å; F262-I268 HydrophobicContact CD2-CD1 4.39Å; F262-I268 HydrophobicContact CE1-CD1 4.29Å; F262-I268 HydrophobicContact CE1-CG1 4.47Å; F262-I268 HydrophobicContact CE1-CG2 4.5Å; F262-I268 HydrophobicContact CE2-CD1 3.65Å; F262-I268 HydrophobicContact CE2-CG1 4.21Å; F262-I268 HydrophobicContact CZ-CD1 3.59Å; F262-I268 HydrophobicContact CZ-CG1 4.19Å; F262-I268 WeakPolarHBondContact O-CG1 3.44Å |
| 263 | W | 90.1 | Very high | 88.4 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.3 | -14.9 | -179.1 | -66.6 | 122.4 | 0 | 0 | 0 | 114.6 | W223 V224 P227 M245 Y259 S261 I268 L275 | W223-W263 HydrophobicContact CE3-CH2 4.01Å; W223-W263 HydrophobicContact CE3-CZ2 4.04Å; W223-W263 AromaticContact CZ3-CH2 3.65Å; W223-W263 HydrophobicContact CZ3-CH2 3.65Å; W223-W263 AromaticContact CZ3-CZ2 3.94Å; W223-W263 HydrophobicContact CZ3-CZ2 3.94Å; W223-W263 HydrophobicContact CZ3-CZ3 4.45Å; V224-W263 PolarHBondContact O-NE1 3.08Å; P227-W263 HydrophobicContact CB-CH2 3.91Å; P227-W263 HydrophobicContact CB-CZ2 3.71Å; P227-W263 HydrophobicContact CG-CH2 4.28Å; P227-W263 HydrophobicContact CG-CZ2 3.74Å; M245-W263 HydrophobicContact CE-CH2 3.79Å; M245-W263 HydrophobicContact CE-CZ3 4.39Å; M245-W263 HydrophobicContact SD-CH2 3.98Å; M245-W263 HydrophobicContact SD-CZ3 4.11Å; Y259-W263 PolarHBondContact O-N 3.44Å; S261-W263 PolarHBondContact O-N 2.87Å; W263-I268 HydrophobicContact CE3-CG2 3.91Å; W263-I268 HydrophobicContact CZ3-CG2 4.08Å; W263-L275 HydrophobicContact CZ3-CD1 4.39Å |
| 264 | L | 88.7 | Confident | 88.2 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -91.8 | -8.4 | 176.4 | -70.4 | 174.7 | 0 | 0 | 0 | 112.9 | T260 S261 F262 Q266 | T260-L264 HydrophobicContact CG2-CD1 4.14Å; T260-L264 WeakPolarHBondContact O-CD1 3.38Å; T260-L264 VanDerWaalsContact O-CG 3.23Å; T260-L264 WeakPolarHBondContact O-CG 3.22Å; T260-L264 PolarHBondContact O-N 3.07Å; S261-L264 PolarHBondContact O-N 3.21Å; S261-L264 VanDerWaalsContact O-N 3.12Å; F262-L264 PolarHBondContact O-N 3.45Å; F262-L264 VanDerWaalsContact O-N 3.17Å; L264-Q266 PolarHBondContact O-N 3.42Å |
| 265 | E | 89.8 | Confident | 87.8 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | trans | -64.4 | 129.9 | 175.1 | -72.6 | -170.4 | -149.2 | 0 | 0 | 110.6 | K254 S261 F262 E267 I268 | K254-E265 WeakPolarHBondContact CD-OE2 3.23Å; K254-E265 IonicContact NZ-OE2 2.72Å; K254-E265 PolarHBondContact NZ-OE2 3.15Å; S261-E265 PolarHBondContact O-N 3.33Å; F262-E265 WeakPolarHBondContact O-CB 3.39Å; F262-E265 PolarHBondContact O-N 2.89Å; F262-E265 VanDerWaalsContact O-N 3.11Å; E265-E267 PolarHBondContact O-N 3.27Å; E265-I268 HydrophobicContact CB-CG1 4.01Å; E265-I268 PolarHBondContact O-N 3.47Å | ||
| 266 | Q | 89.9 | Confident | 87.9 | Confident | 145 Ų | 145 | 77.7 Ų | 77.7 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.8 | -32.6 | -178.5 | -174.3 | 169.9 | -0.8 | 0 | 0 | 112.2 | L264 R269 Q270 | L264-Q266 PolarHBondContact O-N 3.42Å; Q266-R269 PolarHBondContact O-N 2.99Å; Q266-Q270 WeakPolarHBondContact O-CG 3.31Å; Q266-Q270 PolarHBondContact O-N 3.1Å |
| 267 | E | 91.5 | Very high | 88.2 | Confident | 80 Ų | 80 | 72 Ų | 72 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.7 | -172.2 | -177.1 | 158.8 | 0 | 0 | 112 | K254 E265 R269 Q270 L271 | K254-E267 IonicContact NZ-OE1 2.6Å; K254-E267 IonicContact NZ-OE2 3.65Å; K254-E267 PolarHBondContact NZ-OE2 3.23Å; E265-E267 PolarHBondContact O-N 3.27Å; E267-R269 VanDerWaalsContact C-N 3.33Å; E267-R269 PolarHBondContact O-N 3.02Å; E267-Q270 PolarHBondContact O-N 3Å; E267-Q270 VanDerWaalsContact O-N 3.08Å; E267-L271 HydrophobicContact CG-CD1 3.85Å; E267-L271 HydrophobicContact CG-CG 4.36Å; E267-L271 WeakPolarHBondContact O-CG 3.5Å; E267-L271 PolarHBondContact O-N 2.92Å |
| 268 | I | 91.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 179 | -61.3 | -58.8 | 0 | 0 | 0 | 110.7 | L251 F262 W263 E265 Q270 L271 Y272 | L251-I268 HydrophobicContact CD1-CD1 3.71Å; L251-I268 HydrophobicContact CD2-CD1 3.74Å; L251-I268 HydrophobicContact CG-CD1 4.29Å; F262-I268 HydrophobicContact CD2-CD1 4.39Å; F262-I268 HydrophobicContact CE1-CD1 4.29Å; F262-I268 HydrophobicContact CE1-CG1 4.47Å; F262-I268 HydrophobicContact CE1-CG2 4.5Å; F262-I268 HydrophobicContact CE2-CD1 3.65Å; F262-I268 HydrophobicContact CE2-CG1 4.21Å; F262-I268 HydrophobicContact CZ-CD1 3.59Å; F262-I268 HydrophobicContact CZ-CG1 4.19Å; F262-I268 WeakPolarHBondContact O-CG1 3.44Å; W263-I268 HydrophobicContact CE3-CG2 3.91Å; W263-I268 HydrophobicContact CZ3-CG2 4.08Å; E265-I268 HydrophobicContact CB-CG1 4.01Å; E265-I268 PolarHBondContact O-N 3.47Å; I268-Q270 VanDerWaalsContact C-N 3.25Å; I268-Q270 PolarHBondContact O-N 3.12Å; I268-L271 PolarHBondContact O-N 3.32Å; I268-Y272 HydrophobicContact CD1-CE2 4.42Å; I268-Y272 HydrophobicContact CG2-CD2 4.24Å; I268-Y272 WeakPolarHBondContact O-CD2 3.49Å; I268-Y272 PolarHBondContact O-N 2.77Å |
| 269 | R | 88.7 | Confident | 88.6 | Confident | 162 Ų | 162 | 75 Ų | 75 | 61% | 0.611 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.5 | -26.2 | 177.4 | -71 | -175.6 | 179.6 | 172.9 | -0.3 | 114.1 | Q266 E267 | Q266-R269 PolarHBondContact O-N 2.99Å; E267-R269 VanDerWaalsContact C-N 3.33Å; E267-R269 PolarHBondContact O-N 3.02Å |
| 270 | Q | 90.8 | Very high | 88.6 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 64% | 0.64 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -83.3 | -39.2 | 179.5 | -74.8 | 178.8 | -13.3 | 0 | 0 | 111.8 | Q266 E267 I268 | Q266-Q270 WeakPolarHBondContact O-CG 3.31Å; Q266-Q270 PolarHBondContact O-N 3.1Å; E267-Q270 PolarHBondContact O-N 3Å; E267-Q270 VanDerWaalsContact O-N 3.08Å; I268-Q270 VanDerWaalsContact C-N 3.25Å; I268-Q270 PolarHBondContact O-N 3.12Å |
| 271 | L | 90.8 | Very high | 88.6 | Confident | 80 Ų | 80 | 80 Ų | 80 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.3 | -36 | 179.4 | -68 | 175.8 | 0 | 0 | 0 | 112.2 | E267 I268 P273 | E267-L271 HydrophobicContact CG-CD1 3.85Å; E267-L271 HydrophobicContact CG-CG 4.36Å; E267-L271 WeakPolarHBondContact O-CG 3.5Å; E267-L271 PolarHBondContact O-N 2.92Å; I268-L271 PolarHBondContact O-N 3.32Å; L271-P273 VanDerWaalsContact C-CD 3.49Å; L271-P273 WeakPolarHBondContact O-CD 3.39Å |
| 272 | Y | 90.6 | Very high | 88.6 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | trans | -127.3 | 71.1 | -174.4 | -46.3 | -68.8 | 0 | 0 | 0 | 110.8 | E241 E244 M245 N248 L251 I268 R274 L275 | E241-Y272 HydrophobicContact CB-CD1 4.01Å; E241-Y272 HydrophobicContact CG-CD1 4.45Å; E241-Y272 WeakPolarHBondContact OE2-CA 3.46Å; E241-Y272 WeakPolarHBondContact OE2-CB 3.42Å; E244-Y272 HydrophobicContact CB-CE1 4.04Å; M245-Y272 WeakPolarHBondContact CA-OH 3.5Å; M245-Y272 HydrophobicContact CB-CD1 4.21Å; M245-Y272 HydrophobicContact CB-CD2 4.27Å; M245-Y272 HydrophobicContact CB-CE1 3.78Å; M245-Y272 HydrophobicContact CB-CE2 3.85Å; M245-Y272 HydrophobicContact CB-CG 4.44Å; M245-Y272 HydrophobicContact CG-CD2 4.3Å; M245-Y272 HydrophobicContact CG-CE2 3.84Å; M245-Y272 HydrophobicContact SD-CD2 4.37Å; M245-Y272 HydrophobicContact SD-CE2 4.43Å; N248-Y272 PolarHBondContact ND2-OH 3.37Å; L251-Y272 HydrophobicContact CD1-CE2 3.59Å; L251-Y272 WeakPolarHBondContact CD1-OH 3.38Å; I268-Y272 HydrophobicContact CD1-CE2 4.42Å; I268-Y272 HydrophobicContact CG2-CD2 4.24Å; I268-Y272 WeakPolarHBondContact O-CD2 3.49Å; I268-Y272 PolarHBondContact O-N 2.77Å; Y272-R274 VanDerWaalsContact C-N 3.28Å; Y272-R274 PolarHBondContact O-N 3.25Å; Y272-L275 HydrophobicContact CG-CD1 4.3Å; Y272-L275 PolarHBondContact O-N 3.48Å | ||
| 273 | P | 87.1 | Confident | 88.5 | Confident | 95 Ų | 95 | 88.1 Ų | 88.1 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.9 | -172.6 | 29.8 | -37.3 | 0 | 0 | 0 | 115 | E241 L271 | E241-P273 WeakPolarHBondContact OE1-CD 3.49Å; L271-P273 VanDerWaalsContact C-CD 3.49Å; L271-P273 WeakPolarHBondContact O-CD 3.39Å |
| 274 | R | 82.3 | Confident | 88.3 | Confident | 144 Ų | 144 | 91.6 Ų | 91.6 | 54% | 0.543 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7.1 | 173.7 | -59.5 | 173 | -177.5 | 177.3 | 8.3 | 112.5 | E241 Y272 | E241-R274 VanDerWaalsContact CD-CB 3.47Å; E241-R274 VanDerWaalsContact OE1-CB 3.32Å; E241-R274 WeakPolarHBondContact OE1-CB 3Å; E241-R274 WeakPolarHBondContact OE1-CD 3.35Å; E241-R274 WeakPolarHBondContact OE1-CG 3.33Å; E241-R274 PolarHBondContact OE1-N 3.45Å; E241-R274 VanDerWaalsContact OE1-N 3.16Å; E241-R274 WeakPolarHBondContact OE2-CA 3.46Å; E241-R274 WeakPolarHBondContact OE2-CB 3.47Å; E241-R274 PolarHBondContact OE2-N 2.92Å; Y272-R274 VanDerWaalsContact C-N 3.28Å; Y272-R274 PolarHBondContact O-N 3.25Å |
| 275 | L | 78.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 90.1 Ų | 90.1 | 39% | 0.387 | 42% | 0.419 | S | S | . | . | trans | -91.2 | 0 | 175.2 | -65.9 | -175.8 | 0 | 0 | 0 | 113.9 | W223 E241 P242 M245 W263 Y272 | W223-L275 HydrophobicContact CH2-CD2 4.12Å; W223-L275 HydrophobicContact CZ3-CD2 4.09Å; E241-L275 HydrophobicContact CB-CD1 4.19Å; E241-L275 HydrophobicContact CB-CG 4.08Å; E241-L275 PolarHBondContact OE2-N 3.17Å; P242-L275 HydrophobicContact CB-CD1 4.28Å; P242-L275 HydrophobicContact CG-CD2 4.14Å; M245-L275 HydrophobicContact CE-CD1 3.77Å; M245-L275 HydrophobicContact SD-CD1 4.35Å; W263-L275 HydrophobicContact CZ3-CD1 4.39Å; Y272-L275 HydrophobicContact CG-CD1 4.3Å; Y272-L275 PolarHBondContact O-N 3.48Å |
Retrieved 275 of 275 residues in 591.1 ms
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