| 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 | 45.3 | Very low | 69 | Low | 241 Ų | 241 | 107.5 Ų | 107.5 | 100% | 1.187 | 59% | 0.586 | S | S | * | * | 0 | 109.5 | 0 | -81.4 | 169.8 | 147.9 | 0 | 0 | 107.7 | |||||
| 2 | I | 49.2 | Very low | 69.9 | Low | 130 Ų | 130 | 112 Ų | 112 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | trans | -66.3 | 126.3 | 175.1 | -60.6 | 168.4 | 0 | 0 | 0 | 106.6 | C4 A6 A7 | I2-C4 PolarHBondContact O-N 2.84Å; I2-A6 HydrophobicContact CG2-CB 3.9Å; I2-A7 HydrophobicContact CG2-CB 4.1Å | ||
| 3 | P | 68.6 | Low | 70.6 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | trans | -58.6 | 135.1 | 178.8 | 20.9 | -28.9 | 0 | 0 | 0 | 109.1 | R5 A6 A7 | P3-R5 PolarHBondContact O-N 3.31Å; P3-A6 HydrophobicContact CG-CB 3.89Å; P3-A6 WeakPolarHBondContact O-CB 3.31Å; P3-A6 PolarHBondContact O-N 3.11Å; P3-A7 PolarHBondContact O-N 3.17Å | ||
| 4 | C | 67 | Low | 71.6 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 71% | 0.709 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -50.9 | -32.9 | -171.4 | -157.6 | 0 | 0 | 0 | 0 | 112.7 | I2 A7 L8 | I2-C4 PolarHBondContact O-N 2.84Å; C4-A7 PolarHBondContact O-N 3.49Å; C4-L8 WeakPolarHBondContact O-CB 3.29Å; C4-L8 PolarHBondContact O-N 3.31Å |
| 5 | R | 70.9 | Confident | 72.5 | Confident | 214 Ų | 214 | 99.9 Ų | 99.9 | 81% | 0.808 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 174.6 | -160.6 | 175.1 | -176.3 | -175.9 | -0 | 113.1 | P3 L8 T9 | P3-R5 PolarHBondContact O-N 3.31Å; R5-L8 PolarHBondContact O-N 3.06Å; R5-T9 PolarHBondContact O-N 3.17Å; R5-T9 PolarHBondContact O-OG1 2.84Å |
| 6 | A | 72.9 | Confident | 73.3 | Confident | 46 Ų | 46 | 95.5 Ų | 95.5 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I2 P3 L8 F10 | I2-A6 HydrophobicContact CG2-CB 3.9Å; P3-A6 HydrophobicContact CG-CB 3.89Å; P3-A6 WeakPolarHBondContact O-CB 3.31Å; P3-A6 PolarHBondContact O-N 3.11Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-F10 VanDerWaalsContact O-CB 3.25Å; A6-F10 WeakPolarHBondContact O-CB 3.35Å; A6-F10 PolarHBondContact O-N 3.3Å |
| 7 | A | 72.9 | Confident | 74 | Confident | 45 Ų | 45 | 96.1 Ų | 96.1 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I2 P3 C4 F10 A11 | I2-A7 HydrophobicContact CG2-CB 4.1Å; P3-A7 PolarHBondContact O-N 3.17Å; C4-A7 PolarHBondContact O-N 3.49Å; A7-F10 PolarHBondContact O-N 3.37Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 3.33Å |
| 8 | L | 74.8 | Confident | 74.5 | Confident | 91 Ų | 91 | 93.2 Ų | 93.2 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.7 | -38.8 | 179.3 | -143.2 | 143.6 | 0 | 0 | 0 | 111.8 | C4 R5 A6 A11 R12 | C4-L8 WeakPolarHBondContact O-CB 3.29Å; C4-L8 PolarHBondContact O-N 3.31Å; R5-L8 PolarHBondContact O-N 3.06Å; A6-L8 VanDerWaalsContact C-N 3.34Å; L8-A11 PolarHBondContact O-N 3.13Å; L8-R12 WeakPolarHBondContact O-CB 3.22Å; L8-R12 VanDerWaalsContact O-CG 3.32Å; L8-R12 WeakPolarHBondContact O-CG 3.39Å; L8-R12 PolarHBondContact O-N 3Å |
| 9 | T | 76.6 | Confident | 74.6 | Confident | 77 Ų | 77 | 94.3 Ų | 94.3 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 171.3 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | R5 A11 R12 C13 | R5-T9 PolarHBondContact O-N 3.17Å; R5-T9 PolarHBondContact O-OG1 2.84Å; T9-A11 PolarHBondContact O-N 3.36Å; T9-R12 WeakPolarHBondContact O-CB 2.92Å; T9-R12 PolarHBondContact O-N 3.45Å; T9-C13 PolarHBondContact O-N 3.28Å; T9-C13 PolarHBondContact O-SG 3.09Å |
| 10 | F | 81.4 | Confident | 74.5 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 45% | 0.447 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.2 | -178 | -99.9 | 0 | 0 | 0 | 112.1 | A6 A7 R12 C13 L14 F599 I603 | A6-F10 VanDerWaalsContact O-CB 3.25Å; A6-F10 WeakPolarHBondContact O-CB 3.35Å; A6-F10 PolarHBondContact O-N 3.3Å; A7-F10 PolarHBondContact O-N 3.37Å; F10-R12 VanDerWaalsContact C-N 3.3Å; F10-R12 PolarHBondContact O-N 3.49Å; F10-C13 WeakPolarHBondContact O-CB 3.28Å; F10-C13 PolarHBondContact O-N 3.49Å; F10-C13 VanDerWaalsContact O-N 3.15Å; F10-L14 HydrophobicContact CD1-CD1 4.13Å; F10-L14 HydrophobicContact CE1-CD1 3.7Å; F10-L14 HydrophobicContact CE1-CG 4.45Å; F10-L14 HydrophobicContact CZ-CD1 4.24Å; F10-L14 WeakPolarHBondContact O-CG 3.42Å; F10-L14 PolarHBondContact O-N 3.2Å; F10-F599 HydrophobicContact CZ-CD1 4.32Å; F10-F599 AromaticContact CZ-CE1 3.89Å; F10-F599 HydrophobicContact CZ-CE1 3.89Å; F10-I603 HydrophobicContact CD2-CD1 4.02Å; F10-I603 HydrophobicContact CE2-CD1 3.61Å; F10-I603 HydrophobicContact CZ-CD1 4.4Å |
| 11 | A | 79.4 | Confident | 74 | Confident | 42 Ų | 42 | 89.4 Ų | 89.4 | 35% | 0.347 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A7 L8 T9 L14 I15 | A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 3.33Å; L8-A11 PolarHBondContact O-N 3.13Å; T9-A11 PolarHBondContact O-N 3.36Å; A11-L14 PolarHBondContact O-N 3.15Å; A11-I15 WeakPolarHBondContact O-CG1 3.44Å; A11-I15 PolarHBondContact O-N 3.19Å |
| 12 | R | 79.3 | Confident | 74.6 | Confident | 161 Ų | 161 | 82.1 Ų | 82.1 | 61% | 0.608 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.3 | -39.2 | 174.1 | -78.7 | 178.1 | -176.8 | -176.3 | 2.2 | 112.2 | L8 T9 F10 L14 I15 R16 | L8-R12 WeakPolarHBondContact O-CB 3.22Å; L8-R12 VanDerWaalsContact O-CG 3.32Å; L8-R12 WeakPolarHBondContact O-CG 3.39Å; L8-R12 PolarHBondContact O-N 3Å; T9-R12 WeakPolarHBondContact O-CB 2.92Å; T9-R12 PolarHBondContact O-N 3.45Å; F10-R12 VanDerWaalsContact C-N 3.3Å; F10-R12 PolarHBondContact O-N 3.49Å; R12-L14 VanDerWaalsContact C-N 3.28Å; R12-L14 PolarHBondContact O-N 3.41Å; R12-I15 PolarHBondContact O-N 2.84Å; R12-R16 WeakPolarHBondContact O-CG 3.07Å; R12-R16 PolarHBondContact O-N 3.44Å |
| 13 | C | 79.9 | Confident | 75 | Confident | 17 Ų | 17 | 81.6 Ų | 81.6 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 176.4 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | T9 F10 I15 R16 I603 | T9-C13 PolarHBondContact O-N 3.28Å; T9-C13 PolarHBondContact O-SG 3.09Å; F10-C13 WeakPolarHBondContact O-CB 3.28Å; F10-C13 PolarHBondContact O-N 3.49Å; F10-C13 VanDerWaalsContact O-N 3.15Å; C13-I15 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.11Å; C13-R16 WeakPolarHBondContact O-CG 3.36Å; C13-R16 VanDerWaalsContact SG-CZ 3.58Å; C13-R16 PolarHBondContact SG-NH2 3.11Å; C13-I603 HydrophobicContact CB-CD1 4.24Å; C13-I603 HydrophobicContact CB-CG1 4.24Å |
| 14 | L | 83.9 | Confident | 74.8 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.8 | -22 | -176.9 | -60.2 | 176.2 | 0 | 0 | 0 | 114 | F10 A11 R12 L110 Y598 F599 I603 | F10-L14 HydrophobicContact CD1-CD1 4.13Å; F10-L14 HydrophobicContact CE1-CD1 3.7Å; F10-L14 HydrophobicContact CE1-CG 4.45Å; F10-L14 HydrophobicContact CZ-CD1 4.24Å; F10-L14 WeakPolarHBondContact O-CG 3.42Å; F10-L14 PolarHBondContact O-N 3.2Å; A11-L14 PolarHBondContact O-N 3.15Å; R12-L14 VanDerWaalsContact C-N 3.28Å; R12-L14 PolarHBondContact O-N 3.41Å; L14-L110 HydrophobicContact CB-CB 4.15Å; L14-L110 HydrophobicContact CB-CD2 4.43Å; L14-L110 HydrophobicContact CD1-CD2 4.4Å; L14-L110 HydrophobicContact CD2-CB 4.32Å; L14-L110 HydrophobicContact CD2-CD1 4.38Å; L14-L110 HydrophobicContact CD2-CD2 4.39Å; L14-L110 WeakPolarHBondContact O-CB 3.37Å; L14-L110 PolarHBondContact O-N 3.14Å; L14-Y598 HydrophobicContact CD2-CE1 3.72Å; L14-F599 HydrophobicContact CD2-CE1 4.17Å; L14-I603 HydrophobicContact CD2-CD1 4.07Å |
| 15 | I | 85.6 | Confident | 74.6 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 56% | 0.564 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 7.8 | -173.8 | -53.4 | 166.5 | 0 | 0 | 0 | 111.2 | A11 R12 C13 R17 | A11-I15 WeakPolarHBondContact O-CG1 3.44Å; A11-I15 PolarHBondContact O-N 3.19Å; R12-I15 PolarHBondContact O-N 2.84Å; C13-I15 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.11Å; I15-R17 PolarHBondContact O-N 3.47Å |
| 16 | R | 84.5 | Confident | 74.1 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | trans | -55.5 | 134.7 | 176.1 | -71.4 | 173.5 | -179.9 | 158.5 | -7.3 | 110.4 | R12 C13 G108 E109 G609 | R12-R16 WeakPolarHBondContact O-CG 3.07Å; R12-R16 PolarHBondContact O-N 3.44Å; C13-R16 WeakPolarHBondContact O-CG 3.36Å; C13-R16 VanDerWaalsContact SG-CZ 3.58Å; C13-R16 PolarHBondContact SG-NH2 3.11Å; R16-G108 CarbonylContact O-C 3.35Å; R16-G108 WeakPolarHBondContact O-CA 3.32Å; R16-E109 HydrophobicContact CB-CB 4.2Å; R16-E109 PolarHBondContact O-N 3.19Å; R16-G609 VanDerWaalsContact NH1-CA 3.26Å | ||
| 17 | R | 85.8 | Confident | 73.8 | Confident | 106 Ų | 106 | 77.1 Ų | 77.1 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | trans | -113.7 | 139.1 | 178.2 | -66.7 | -178.6 | -177 | -179.8 | -1.9 | 109.3 | I15 Y104 T106 V107 | I15-R17 PolarHBondContact O-N 3.47Å; R17-Y104 WeakPolarHBondContact CA-O 3.45Å; R17-T106 PolarHBondContact NE-O 3.18Å; R17-T106 PolarHBondContact NH1-O 3.32Å; R17-T106 PolarHBondContact NH2-O 2.81Å; R17-V107 PolarHBondContact NE-O 3.02Å | ||
| 18 | K | 82.8 | Confident | 73.8 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 19% | 0.191 | 39% | 0.39 | C | S | . | . | trans | -76.8 | 130.8 | 175.6 | -177.8 | 162.5 | -176.8 | 173.8 | 0 | 110.1 | V20 L101 Y104 V105 D370 | K18-V20 HydrophobicContact CG-CG2 4.39Å; K18-L101 HydrophobicContact CD-CD1 3.91Å; K18-Y104 HydrophobicContact CB-CD1 4.03Å; K18-Y104 HydrophobicContact CB-CD2 3.9Å; K18-Y104 HydrophobicContact CB-CE1 4.34Å; K18-Y104 HydrophobicContact CB-CE2 4.21Å; K18-Y104 HydrophobicContact CB-CG 3.81Å; K18-Y104 HydrophobicContact CD-CD1 4.07Å; K18-Y104 HydrophobicContact CD-CE1 4.31Å; K18-Y104 PolarHBondContact N-O 2.68Å; K18-V105 HydrophobicContact CB-CG2 4.44Å; K18-D370 IonicContact NZ-OD1 2.72Å; K18-D370 PolarHBondContact NZ-OD1 2.95Å; K18-D370 IonicContact NZ-OD2 3.41Å; K18-D370 PolarHBondContact NZ-OD2 3.46Å | ||
| 19 | I | 77.2 | Confident | 74 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 59% | 0.585 | 39% | 0.394 | S | S | * | . | trans | -97.4 | 118.6 | 176.6 | -57.3 | 174.3 | 0 | 0 | 0 | 108.2 | T21 | I19-T21 HydrophobicContact CG2-CG2 4.38Š| ||
| 20 | V | 72.3 | Confident | 74.2 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | trans | -103.1 | 107 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | K18 L25 V105 | K18-V20 HydrophobicContact CG-CG2 4.39Å; V20-L25 HydrophobicContact CG1-CD1 4.39Å; V20-L25 HydrophobicContact CG1-CD2 3.51Å; V20-L25 HydrophobicContact CG1-CG 3.68Å; V20-V105 HydrophobicContact CG2-CG2 3.68Å | ||
| 21 | T | 63.9 | Low | 74 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | trans | -85.9 | 164.5 | 174.5 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | I19 D23 N24 L25 | I19-T21 HydrophobicContact CG2-CG2 4.38Å; T21-D23 VanDerWaalsContact C-N 3.35Å; T21-D23 PolarHBondContact O-N 3.4Å; T21-N24 WeakPolarHBondContact O-CB 3.38Å; T21-N24 PolarHBondContact O-N 3.11Å; T21-N24 WeakPolarHBondContact OG1-CB 3.3Å; T21-N24 VanDerWaalsContact OG1-CG 3.29Å; T21-N24 PolarHBondContact OG1-N 3.45Å; T21-N24 PolarHBondContact OG1-ND2 3.42Å; T21-L25 PolarHBondContact O-N 3.22Å; T21-L25 VanDerWaalsContact O-N 3.09Å | ||
| 22 | L | 58.4 | Low | 74.3 | Confident | 88 Ų | 88 | 76.6 Ų | 76.6 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 179.7 | -167.4 | 63.3 | 0 | 0 | 0 | 112.1 | N24 L25 E26 Y440 | L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.61Å; L22-L25 HydrophobicContact CD1-CD1 4.33Å; L22-L25 WeakPolarHBondContact O-CB 3.47Å; L22-L25 PolarHBondContact O-N 2.81Å; L22-E26 PolarHBondContact O-N 2.83Å; L22-Y440 HydrophobicContact CB-CE1 4.12Å; L22-Y440 HydrophobicContact CD1-CE1 4.27Å; L22-Y440 HydrophobicContact CD2-CE1 4.5Å |
| 23 | D | 57.1 | Low | 74.6 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 176.4 | -55.3 | -32.4 | 0 | 0 | 0 | 110.6 | T21 L25 E26 D27 | T21-D23 VanDerWaalsContact C-N 3.35Å; T21-D23 PolarHBondContact O-N 3.4Å; D23-L25 PolarHBondContact O-N 3.09Å; D23-E26 PolarHBondContact O-N 2.86Å; D23-E26 VanDerWaalsContact O-N 3.15Å; D23-D27 PolarHBondContact O-N 2.85Å |
| 24 | N | 64.4 | Low | 75 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -29.6 | 174.2 | -80.6 | -19.3 | 0 | 0 | 0 | 112.2 | T21 L22 K95 | T21-N24 WeakPolarHBondContact O-CB 3.38Å; T21-N24 PolarHBondContact O-N 3.11Å; T21-N24 WeakPolarHBondContact OG1-CB 3.3Å; T21-N24 VanDerWaalsContact OG1-CG 3.29Å; T21-N24 PolarHBondContact OG1-N 3.45Å; T21-N24 PolarHBondContact OG1-ND2 3.42Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.61Å; N24-K95 WeakPolarHBondContact O-CE 3.28Å; N24-K95 PolarHBondContact O-NZ 3.48Å |
| 25 | L | 62.8 | Low | 75.4 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.5 | -31 | 177.8 | -73.3 | 170 | 0 | 0 | 0 | 113 | V20 T21 L22 D23 P94 K95 | V20-L25 HydrophobicContact CG1-CD1 4.39Å; V20-L25 HydrophobicContact CG1-CD2 3.51Å; V20-L25 HydrophobicContact CG1-CG 3.68Å; T21-L25 PolarHBondContact O-N 3.22Å; T21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 HydrophobicContact CD1-CD1 4.33Å; L22-L25 WeakPolarHBondContact O-CB 3.47Å; L22-L25 PolarHBondContact O-N 2.81Å; D23-L25 PolarHBondContact O-N 3.09Å; L25-P94 HydrophobicContact CD2-CG 4.4Å; L25-K95 HydrophobicContact CD2-CG 3.86Å |
| 26 | E | 60.4 | Low | 75.8 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 64% | 0.64 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -84.8 | -31.2 | -178 | -64.3 | -165.5 | 166 | 0 | 0 | 112.9 | L22 D23 T28 R32 | L22-E26 PolarHBondContact O-N 2.83Å; D23-E26 PolarHBondContact O-N 2.86Å; D23-E26 VanDerWaalsContact O-N 3.15Å; E26-T28 PolarHBondContact O-N 3.4Å; E26-T28 VanDerWaalsContact O-N 3.14Å; E26-R32 PolarHBondContact O-NH2 2.63Å |
| 27 | D | 67.2 | Low | 76.2 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | trans | -67.5 | 107.3 | 177.6 | -84 | -25.5 | 0 | 0 | 0 | 112.2 | D23 K95 | D23-D27 PolarHBondContact O-N 2.85Å; D27-K95 PolarHBondContact O-NZ 3.48Å | ||
| 28 | T | 72.4 | Confident | 76.6 | Confident | 45 Ų | 45 | 68 Ų | 68 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | trans | -122.8 | 121.8 | 176.6 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | E26 L30 E279 | E26-T28 PolarHBondContact O-N 3.4Å; E26-T28 VanDerWaalsContact O-N 3.14Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact OG1-O 2.91Å; T28-E279 HydrophobicContact CG2-CB 4.17Å; T28-E279 HydrophobicContact CG2-CG 4.15Å | ||
| 29 | K | 77.9 | Confident | 77 | Confident | 129 Ų | 129 | 65.9 Ų | 65.9 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -76.8 | -21.1 | 170.7 | -66.9 | 173.1 | -177.5 | 162.6 | 0 | 112.3 | Y365 E369 I380 | K29-Y365 WeakPolarHBondContact CD-OH 3.32Å; K29-E369 IonicContact NZ-OE1 3.84Å; K29-E369 PolarHBondContact NZ-OE1 3.19Å; K29-I380 HydrophobicContact CB-CD1 3.74Å; K29-I380 HydrophobicContact CD-CD1 4.33Å |
| 30 | L | 80.8 | Confident | 77.9 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -86.2 | 160.9 | 177.5 | -58 | 178.7 | 0 | 0 | 0 | 112.2 | T28 E279 E280 I380 K385 | T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact OG1-O 2.91Å; L30-E279 HydrophobicContact CB-CB 4.34Å; L30-E279 HydrophobicContact CD1-CB 4.18Å; L30-E279 WeakPolarHBondContact CD1-OE2 3.43Å; L30-E280 HydrophobicContact CB-CG 3.81Å; L30-E280 HydrophobicContact CD1-CG 4.08Å; L30-I380 HydrophobicContact CD2-CD1 4.21Å; L30-K385 WeakPolarHBondContact CD2-O 3.44Å |
| 31 | C | 78.4 | Confident | 78.9 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | -89 | 120 | -177.8 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | C33 E280 K385 | C31-C33 VanDerWaalsContact C-N 3.29Å; C31-C33 PolarHBondContact O-N 2.77Å; C31-C33 PolarHBondContact O-SG 2.64Å; C31-C33 VanDerWaalsContact O-SG 3.4Å; C31-E280 WeakPolarHBondContact O-CA 3.44Å; C31-K385 HydrophobicContact CB-CD 4.11Å | ||
| 32 | R | 84.5 | Confident | 80.3 | Confident | 106 Ų | 106 | 59 Ų | 59 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | trans | -70.7 | 77.9 | 173.3 | -69.5 | -174.1 | -171.6 | -177 | 4.4 | 112.3 | E26 E279 E280 | E26-R32 PolarHBondContact O-NH2 2.63Å; R32-E279 VanDerWaalsContact CG-O 3.22Å; R32-E279 WeakPolarHBondContact CG-O 3.3Å; R32-E280 CarbonylContact C-O 3.35Å; R32-E280 VanDerWaalsContact CA-O 3.32Å; R32-E280 WeakPolarHBondContact CA-O 3.5Å | ||
| 33 | C | 86.7 | Confident | 82 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | trans | -112.6 | -16 | -174 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | C31 E280 | C31-C33 VanDerWaalsContact C-N 3.29Å; C31-C33 PolarHBondContact O-N 2.77Å; C31-C33 PolarHBondContact O-SG 2.64Å; C31-C33 VanDerWaalsContact O-SG 3.4Å; C33-E280 PolarHBondContact N-O 3.02Å | ||
| 34 | L | 88.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 137.8 | -175.2 | -60.4 | 174.5 | 0 | 0 | 0 | 112.5 | D38 L39 V184 A188 T277 E280 V281 R282 F358 | L34-D38 HydrophobicContact CB-CB 4.49Å; L34-D38 HydrophobicContact CD2-CB 4.04Å; L34-L39 HydrophobicContact CD1-CD2 4.37Å; L34-V184 HydrophobicContact CD2-CG1 4.27Å; L34-A188 HydrophobicContact CD2-CB 3.82Å; L34-T277 HydrophobicContact CD1-CG2 4.32Å; L34-E280 WeakPolarHBondContact CB-O 3.38Å; L34-E280 HydrophobicContact CD1-CB 3.85Å; L34-E280 HydrophobicContact CG-CB 4.24Å; L34-E280 PolarHBondContact N-O 2.75Å; L34-V281 HydrophobicContact CB-CG2 4.05Å; L34-V281 HydrophobicContact CD1-CG2 4.44Å; L34-R282 PolarHBondContact O-N 3.3Å; L34-R282 VanDerWaalsContact O-N 3.11Å; L34-F358 HydrophobicContact CD1-CZ 4.31Å |
| 35 | S | 92.8 | Very high | 85.1 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | trans | -100.8 | 168.1 | 172.8 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | M37 D38 L39 | S35-M37 PolarHBondContact O-N 3.21Å; S35-D38 VanDerWaalsContact CB-OD2 3.3Å; S35-D38 WeakPolarHBondContact CB-OD2 3.25Å; S35-D38 PolarHBondContact N-OD2 3.28Å; S35-D38 WeakPolarHBondContact O-CB 3.48Å; S35-D38 PolarHBondContact O-N 3.34Å; S35-D38 PolarHBondContact OG-N 3.27Å; S35-D38 PolarHBondContact OG-OD2 2.91Å; S35-L39 PolarHBondContact O-N 3.33Å | ||
| 36 | T | 93.4 | Very high | 86.5 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 31% | 0.307 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.6 | -36 | 175.7 | -47.9 | 0 | 0 | 0 | 0 | 112.6 | D38 L39 I40 A287 I290 | T36-D38 VanDerWaalsContact C-N 3.34Å; T36-L39 WeakPolarHBondContact O-CB 3.35Å; T36-L39 PolarHBondContact O-N 3.36Å; T36-I40 HydrophobicContact CG2-CD1 4.3Å; T36-I40 WeakPolarHBondContact O-CG1 3.1Å; T36-I40 PolarHBondContact O-N 3.37Å; T36-A287 HydrophobicContact CG2-CB 4.26Å; T36-A287 WeakPolarHBondContact OG1-CB 2.75Å; T36-I290 HydrophobicContact CG2-CB 4.19Å; T36-I290 HydrophobicContact CG2-CG2 3.83Å |
| 37 | M | 92.9 | Very high | 88 | Confident | 127 Ų | 127 | 38.2 Ų | 38.2 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -68.5 | -35.1 | 176.6 | -67.6 | -57.7 | -65.7 | 0 | 0 | 112.1 | S35 L39 I40 A41 | S35-M37 PolarHBondContact O-N 3.21Å; M37-L39 VanDerWaalsContact C-N 3.3Å; M37-I40 PolarHBondContact O-N 3.25Å; M37-I40 HydrophobicContact SD-CD1 4.22Å; M37-A41 WeakPolarHBondContact O-CB 2.99Å; M37-A41 PolarHBondContact O-N 3.09Å |
| 38 | D | 92.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.8 | -53.4 | -45.7 | 0 | 0 | 0 | 110.4 | L34 S35 T36 A41 L42 K192 | L34-D38 HydrophobicContact CB-CB 4.49Å; L34-D38 HydrophobicContact CD2-CB 4.04Å; S35-D38 VanDerWaalsContact CB-OD2 3.3Å; S35-D38 WeakPolarHBondContact CB-OD2 3.25Å; S35-D38 PolarHBondContact N-OD2 3.28Å; S35-D38 WeakPolarHBondContact O-CB 3.48Å; S35-D38 PolarHBondContact O-N 3.34Å; S35-D38 PolarHBondContact OG-N 3.27Å; S35-D38 PolarHBondContact OG-OD2 2.91Å; T36-D38 VanDerWaalsContact C-N 3.34Å; D38-A41 PolarHBondContact O-N 3.02Å; D38-L42 VanDerWaalsContact O-CB 3.22Å; D38-L42 WeakPolarHBondContact O-CB 3.44Å; D38-L42 PolarHBondContact O-N 2.83Å; D38-K192 WeakPolarHBondContact OD1-CE 3.45Å; D38-K192 IonicContact OD1-NZ 2.68Å; D38-K192 PolarHBondContact OD1-NZ 3.49Å |
| 39 | L | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.9 | -64.1 | -175.7 | 0 | 0 | 0 | 113.1 | L34 S35 T36 M37 L42 G43 I274 T277 V281 A287 I288 | L34-L39 HydrophobicContact CD1-CD2 4.37Å; S35-L39 PolarHBondContact O-N 3.33Å; T36-L39 WeakPolarHBondContact O-CB 3.35Å; T36-L39 PolarHBondContact O-N 3.36Å; M37-L39 VanDerWaalsContact C-N 3.3Å; L39-L42 PolarHBondContact O-N 3.08Å; L39-G43 PolarHBondContact O-N 2.96Å; L39-I274 HydrophobicContact CB-CG2 4.13Å; L39-I274 HydrophobicContact CD1-CG2 4.04Å; L39-I274 HydrophobicContact CD2-CG2 4.2Å; L39-I274 HydrophobicContact CG-CG2 4.35Å; L39-I274 WeakPolarHBondContact O-CD1 3.36Å; L39-T277 VanDerWaalsContact CD2-OG1 3.23Å; L39-T277 WeakPolarHBondContact CD2-OG1 3.39Å; L39-V281 HydrophobicContact CD1-CG1 3.98Å; L39-V281 HydrophobicContact CD1-CG2 3.73Å; L39-V281 HydrophobicContact CD2-CG2 3.68Å; L39-V281 HydrophobicContact CG-CG2 4.06Å; L39-A287 HydrophobicContact CD1-CB 3.81Å; L39-I288 HydrophobicContact CD1-CG1 4.4Å |
| 40 | I | 95.2 | Very high | 90.4 | Very high | 30 Ų | 30 | 24.6 Ų | 24.6 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.6 | -66.3 | 165.1 | 0 | 0 | 0 | 109.5 | T36 M37 L42 G43 V44 T294 | T36-I40 HydrophobicContact CG2-CD1 4.3Å; T36-I40 WeakPolarHBondContact O-CG1 3.1Å; T36-I40 PolarHBondContact O-N 3.37Å; M37-I40 PolarHBondContact O-N 3.25Å; M37-I40 HydrophobicContact SD-CD1 4.22Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.29Å; I40-G43 PolarHBondContact O-N 3.16Å; I40-V44 HydrophobicContact CG2-CG2 4.13Å; I40-V44 WeakPolarHBondContact O-CB 3.5Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.49Å; I40-V44 PolarHBondContact O-N 2.82Å; I40-T294 HydrophobicContact CD1-CG2 4.11Å; I40-T294 HydrophobicContact CG1-CG2 4.41Å; I40-T294 HydrophobicContact CG2-CG2 4.3Å |
| 41 | A | 94.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 9% | 0.091 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M37 D38 G45 N191 K192 T195 | M37-A41 WeakPolarHBondContact O-CB 2.99Å; M37-A41 PolarHBondContact O-N 3.09Å; D38-A41 PolarHBondContact O-N 3.02Å; A41-G45 WeakPolarHBondContact O-CA 3.33Å; A41-G45 PolarHBondContact O-N 2.97Å; A41-N191 PolarHBondContact O-ND2 3.37Å; A41-K192 HydrophobicContact CB-CB 4.4Å; A41-T195 HydrophobicContact CB-CG2 4.41Å; A41-T195 PolarHBondContact O-OG1 3.24Å; A41-T195 VanDerWaalsContact O-OG1 3.13Å |
| 42 | L | 92.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 7% | 0.068 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 175.3 | -173.3 | 70.7 | 0 | 0 | 0 | 111.4 | D38 L39 I40 S46 N191 T277 F358 | D38-L42 VanDerWaalsContact O-CB 3.22Å; D38-L42 WeakPolarHBondContact O-CB 3.44Å; D38-L42 PolarHBondContact O-N 2.83Å; L39-L42 PolarHBondContact O-N 3.08Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.29Å; L42-S46 WeakPolarHBondContact O-CB 3.45Å; L42-S46 PolarHBondContact O-N 3.17Å; L42-S46 PolarHBondContact O-OG 2.96Å; L42-S46 VanDerWaalsContact O-OG 3.06Å; L42-N191 WeakPolarHBondContact CA-ND2 3.27Å; L42-N191 PolarHBondContact N-ND2 2.76Å; L42-T277 HydrophobicContact CD2-CG2 3.75Å; L42-F358 HydrophobicContact CD1-CB 4.49Å; L42-F358 HydrophobicContact CD1-CD1 4.24Å; L42-F358 HydrophobicContact CD1-CG 4.33Å; L42-F358 HydrophobicContact CD2-CD1 4.02Å; L42-F358 HydrophobicContact CD2-CE1 4.08Å |
| 43 | G | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.6 | -56 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L39 I40 G45 S46 T47 | L39-G43 PolarHBondContact O-N 2.96Å; I40-G43 PolarHBondContact O-N 3.16Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 3.42Å; G43-S46 PolarHBondContact O-N 3.31Å; G43-S46 PolarHBondContact O-OG 3.28Å; G43-T47 WeakPolarHBondContact O-CB 3.49Å; G43-T47 PolarHBondContact O-N 2.67Å; G43-T47 PolarHBondContact O-OG1 3.07Å |
| 44 | V | 94.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 111 | I40 T47 L48 T195 I199 V298 | I40-V44 HydrophobicContact CG2-CG2 4.13Å; I40-V44 WeakPolarHBondContact O-CB 3.5Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.49Å; I40-V44 PolarHBondContact O-N 2.82Å; V44-T47 PolarHBondContact O-N 3.35Å; V44-L48 HydrophobicContact CG1-CD1 3.43Å; V44-L48 VanDerWaalsContact CG1-CD1 3.43Å; V44-L48 HydrophobicContact CG1-CG 4.04Å; V44-L48 VanDerWaalsContact O-CB 3.24Å; V44-L48 WeakPolarHBondContact O-CB 3.45Å; V44-L48 PolarHBondContact O-N 3.33Å; V44-T195 HydrophobicContact CB-CG2 3.98Å; V44-T195 HydrophobicContact CG1-CG2 3.83Å; V44-I199 HydrophobicContact CG1-CD1 4.07Å; V44-I199 HydrophobicContact CG1-CG1 4.2Å; V44-V298 HydrophobicContact CG1-CG1 4.07Å; V44-V298 HydrophobicContact CG2-CB 4.08Å; V44-V298 HydrophobicContact CG2-CG1 4.01Å |
| 45 | G | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A41 G43 S352 | A41-G45 WeakPolarHBondContact O-CA 3.33Å; A41-G45 PolarHBondContact O-N 2.97Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 3.42Å; G45-S352 WeakPolarHBondContact O-CA 3.34Å; G45-S352 WeakPolarHBondContact O-CB 3.37Å; G45-S352 PolarHBondContact O-N 3.04Å |
| 46 | S | 91.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 14.1 Ų | 14.1 | 5% | 0.049 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.2 | 68.7 | 0 | 0 | 0 | 0 | 112 | L42 G43 G270 C273 S352 | L42-S46 WeakPolarHBondContact O-CB 3.45Å; L42-S46 PolarHBondContact O-N 3.17Å; L42-S46 PolarHBondContact O-OG 2.96Å; L42-S46 VanDerWaalsContact O-OG 3.06Å; G43-S46 PolarHBondContact O-N 3.31Å; G43-S46 PolarHBondContact O-OG 3.28Å; S46-G270 VanDerWaalsContact OG-C 3.28Å; S46-G270 WeakPolarHBondContact OG-CA 3.36Å; S46-G270 PolarHBondContact OG-O 2.85Å; S46-G270 VanDerWaalsContact OG-O 3.06Å; S46-C273 PolarHBondContact OG-SG 3.23Å; S46-S352 PolarHBondContact O-OG 3.27Å |
| 47 | T | 92 | Very high | 91.2 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -84.7 | -40.1 | -174.5 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | G43 V44 G49 A267 V269 F271 C299 Y303 | G43-T47 WeakPolarHBondContact O-CB 3.49Å; G43-T47 PolarHBondContact O-N 2.67Å; G43-T47 PolarHBondContact O-OG1 3.07Å; V44-T47 PolarHBondContact O-N 3.35Å; T47-G49 VanDerWaalsContact C-N 3.32Å; T47-G49 PolarHBondContact O-N 2.99Å; T47-A267 WeakPolarHBondContact CG2-O 3.42Å; T47-V269 PolarHBondContact OG1-O 2.88Å; T47-F271 PolarHBondContact OG1-N 3.39Å; T47-C299 HydrophobicContact CG2-CB 3.93Å; T47-C299 VanDerWaalsContact CG2-SG 3.57Å; T47-Y303 HydrophobicContact CG2-CE2 4.2Å; T47-Y303 PolarHBondContact O-OH 3.39Å |
| 48 | L | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -83.3 | 72 | 176.7 | -66.4 | -178.7 | 0 | 0 | 0 | 111.9 | V44 N198 L202 C299 A302 Y303 | V44-L48 HydrophobicContact CG1-CD1 3.43Å; V44-L48 VanDerWaalsContact CG1-CD1 3.43Å; V44-L48 HydrophobicContact CG1-CG 4.04Å; V44-L48 VanDerWaalsContact O-CB 3.24Å; V44-L48 WeakPolarHBondContact O-CB 3.45Å; V44-L48 PolarHBondContact O-N 3.33Å; L48-N198 PolarHBondContact O-ND2 3.42Å; L48-L202 HydrophobicContact CB-CD1 4.48Å; L48-L202 HydrophobicContact CD1-CD1 3.72Å; L48-L202 HydrophobicContact CD2-CD1 4.37Å; L48-L202 HydrophobicContact CG-CD1 4.43Å; L48-C299 HydrophobicContact CD2-CB 4.19Å; L48-C299 HydrophobicContact CG-CB 4.48Å; L48-A302 HydrophobicContact CD1-CB 4.14Å; L48-A302 HydrophobicContact CD2-CB 3.91Å; L48-Y303 HydrophobicContact CD2-CD2 4.13Å; L48-Y303 HydrophobicContact CD2-CE2 3.67Å |
| 49 | G | 89 | Confident | 90.8 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -124.7 | -128 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T47 G51 V52 | T47-G49 VanDerWaalsContact C-N 3.32Å; T47-G49 PolarHBondContact O-N 2.99Å; G49-G51 PolarHBondContact O-N 3.33Å; G49-G51 VanDerWaalsContact O-N 3.08Å; G49-V52 PolarHBondContact O-N 2.82Å |
| 50 | A | 87.2 | Confident | 90.8 | Very high | 4 Ų | 4 | 6.2 Ų | 6.2 | 3% | 0.033 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.8 | -26.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V52 V54 L55 V130 A133 L349 | A50-V52 PolarHBondContact O-N 3.46Å; A50-V54 WeakPolarHBondContact O-CB 3.35Å; A50-V54 PolarHBondContact O-N 2.68Å; A50-L55 PolarHBondContact O-N 2.96Å; A50-L55 VanDerWaalsContact O-N 3.07Å; A50-V130 HydrophobicContact CB-CG2 4.49Å; A50-A133 HydrophobicContact CB-CB 3.76Å; A50-L349 HydrophobicContact CB-CD2 3.86Å |
| 51 | G | 87.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 2% | 0.021 | 4% | 0.037 | C | C | . | . | I | π-helix | trans | -55.7 | -48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G49 L55 A56 | G49-G51 PolarHBondContact O-N 3.33Å; G49-G51 VanDerWaalsContact O-N 3.08Å; G51-L55 WeakPolarHBondContact O-CB 3.36Å; G51-A56 PolarHBondContact O-N 3.06Å; G51-A56 VanDerWaalsContact O-N 3.09Å |
| 52 | V | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -85.2 | -34.3 | -171.7 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | G49 A50 L202 Y303 V306 | G49-V52 PolarHBondContact O-N 2.82Å; A50-V52 PolarHBondContact O-N 3.46Å; V52-L202 HydrophobicContact CG1-CD1 4.47Å; V52-L202 HydrophobicContact CG1-CD2 3.93Å; V52-L202 HydrophobicContact CG2-CD2 4.06Å; V52-Y303 VanDerWaalsContact CA-CE1 3.45Å; V52-Y303 HydrophobicContact CB-CD1 3.77Å; V52-Y303 HydrophobicContact CB-CE1 3.32Å; V52-Y303 HydrophobicContact CG2-CD1 3.88Å; V52-Y303 HydrophobicContact CG2-CE1 3.98Å; V52-Y303 VanDerWaalsContact N-CE1 3.33Å; V52-V306 HydrophobicContact CG2-CB 3.93Å; V52-V306 HydrophobicContact CG2-CG1 3.86Å; V52-V306 HydrophobicContact CG2-CG2 4.29Å |
| 53 | Y | 89.9 | Confident | 90 | Very high | 6 Ų | 6 | 10.2 Ų | 10.2 | 2% | 0.024 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -88.7 | -26.6 | -173.1 | -72.9 | -80 | 0 | 0 | 0 | 114.2 | N198 L202 P324 L325 A348 | Y53-N198 WeakPolarHBondContact CE2-OD1 3.43Å; Y53-N198 PolarHBondContact OH-OD1 3Å; Y53-L202 HydrophobicContact CE1-CD2 4.13Å; Y53-L202 HydrophobicContact CE2-CD2 3.99Å; Y53-L202 WeakPolarHBondContact OH-CD2 3.43Å; Y53-L202 WeakPolarHBondContact OH-CG 3.49Å; Y53-P324 VanDerWaalsContact O-CD 3.24Å; Y53-P324 WeakPolarHBondContact O-CD 3.37Å; Y53-P324 VanDerWaalsContact O-CG 3.22Å; Y53-P324 WeakPolarHBondContact O-CG 3.41Å; Y53-L325 HydrophobicContact CD1-CD1 3.57Å; Y53-L325 HydrophobicContact CE1-CD1 4.02Å; Y53-L325 HydrophobicContact CG-CD1 4.36Å; Y53-A348 HydrophobicContact CD2-CB 3.88Å; Y53-A348 HydrophobicContact CE2-CB 3.24Å |
| 54 | V | 87.1 | Confident | 89.9 | Confident | 8 Ų | 8 | 10.3 Ų | 10.3 | 5% | 0.048 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -121 | -60.1 | -175 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | A50 A56 G57 E58 A133 E321 L407 | A50-V54 WeakPolarHBondContact O-CB 3.35Å; A50-V54 PolarHBondContact O-N 2.68Å; V54-A56 VanDerWaalsContact C-N 3.28Å; V54-A56 PolarHBondContact O-N 2.84Å; V54-G57 PolarHBondContact O-N 3.26Å; V54-E58 PolarHBondContact O-N 3.05Å; V54-A133 HydrophobicContact CG2-CB 4.37Å; V54-E321 WeakPolarHBondContact CG1-O 3.46Å; V54-L407 HydrophobicContact CG1-CD2 4.25Å |
| 55 | L | 85.6 | Confident | 89.8 | Confident | 9 Ų | 9 | 10.2 Ų | 10.2 | 5% | 0.047 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -62.2 | -34.2 | -171.2 | -171.4 | 67.9 | 0 | 0 | 0 | 113.1 | A50 G51 G57 E58 V59 T263 Y266 | A50-L55 PolarHBondContact O-N 2.96Å; A50-L55 VanDerWaalsContact O-N 3.07Å; G51-L55 WeakPolarHBondContact O-CB 3.36Å; L55-G57 PolarHBondContact O-N 3.47Å; L55-E58 PolarHBondContact O-N 2.73Å; L55-V59 HydrophobicContact CD1-CG2 3.84Å; L55-V59 HydrophobicContact CG-CG2 3.83Å; L55-V59 WeakPolarHBondContact O-CB 3.17Å; L55-V59 WeakPolarHBondContact O-CG2 2.86Å; L55-V59 PolarHBondContact O-N 3.43Å; L55-T263 HydrophobicContact CD1-CG2 3.81Å; L55-T263 HydrophobicContact CD2-CG2 4.22Å; L55-T263 HydrophobicContact CG-CG2 4.35Å; L55-Y266 HydrophobicContact CD2-CD1 3.61Å; L55-Y266 HydrophobicContact CD2-CE1 4.47Å; L55-Y266 HydrophobicContact CD2-CG 4.29Å |
| 56 | A | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.7 | -33.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | G51 V54 A60 I68 F72 | G51-A56 PolarHBondContact O-N 3.06Å; G51-A56 VanDerWaalsContact O-N 3.09Å; V54-A56 VanDerWaalsContact C-N 3.28Å; V54-A56 PolarHBondContact O-N 2.84Å; A56-A60 WeakPolarHBondContact O-CB 3.44Å; A56-A60 PolarHBondContact O-N 3.34Å; A56-I68 HydrophobicContact CB-CD1 4.37Å; A56-I68 WeakPolarHBondContact O-CD1 3.4Å; A56-F72 HydrophobicContact CB-CE2 4.17Å; A56-F72 HydrophobicContact CB-CZ 4.31Å |
| 57 | G | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -75.1 | -47.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V54 L55 V59 A60 K61 | V54-G57 PolarHBondContact O-N 3.26Å; L55-G57 PolarHBondContact O-N 3.47Å; G57-V59 PolarHBondContact O-N 3.05Å; G57-A60 PolarHBondContact O-N 3.06Å; G57-K61 WeakPolarHBondContact O-CB 3.39Å; G57-K61 PolarHBondContact O-N 3.18Å |
| 58 | E | 87.3 | Confident | 90.4 | Very high | 31 Ų | 31 | 9.7 Ų | 9.7 | 15% | 0.145 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.1 | -51.2 | 178.6 | -173.9 | -173.5 | 167.1 | 0 | 0 | 111.3 | V54 L55 A60 K61 A62 K408 | V54-E58 PolarHBondContact O-N 3.05Å; L55-E58 PolarHBondContact O-N 2.73Å; E58-A60 PolarHBondContact O-N 2.75Å; E58-K61 PolarHBondContact O-N 3.39Å; E58-A62 WeakPolarHBondContact O-CB 3.22Å; E58-A62 PolarHBondContact O-N 3.25Å; E58-K408 IonicContact OE1-NZ 3.42Å; E58-K408 PolarHBondContact OE1-NZ 3.32Å |
| 59 | V | 89.9 | Confident | 90.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.6 | -34.1 | -177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | L55 G57 K61 D63 S64 I68 T263 | L55-V59 HydrophobicContact CD1-CG2 3.84Å; L55-V59 HydrophobicContact CG-CG2 3.83Å; L55-V59 WeakPolarHBondContact O-CB 3.17Å; L55-V59 WeakPolarHBondContact O-CG2 2.86Å; L55-V59 PolarHBondContact O-N 3.43Å; G57-V59 PolarHBondContact O-N 3.05Å; V59-K61 VanDerWaalsContact C-N 3.34Å; V59-D63 HydrophobicContact CG1-CB 4.33Å; V59-D63 PolarHBondContact O-N 2.72Å; V59-D63 VanDerWaalsContact O-N 3.1Å; V59-S64 PolarHBondContact O-N 3.35Å; V59-S64 PolarHBondContact O-OG 2.65Å; V59-I68 HydrophobicContact CB-CD1 4.05Å; V59-I68 HydrophobicContact CG1-CD1 4.13Å; V59-I68 HydrophobicContact CG1-CG1 4.38Å; V59-T263 HydrophobicContact CG2-CG2 3.62Å |
| 60 | A | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -67.6 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A56 G57 E58 G65 I68 T311 L319 | A56-A60 WeakPolarHBondContact O-CB 3.44Å; A56-A60 PolarHBondContact O-N 3.34Å; G57-A60 PolarHBondContact O-N 3.06Å; E58-A60 PolarHBondContact O-N 2.75Å; A60-G65 WeakPolarHBondContact O-CA 3.23Å; A60-G65 PolarHBondContact O-N 2.89Å; A60-I68 HydrophobicContact CB-CB 4.39Å; A60-I68 HydrophobicContact CB-CD1 3.86Å; A60-I68 HydrophobicContact CB-CG2 4.24Å; A60-T311 HydrophobicContact CB-CG2 4.12Å; A60-L319 HydrophobicContact CB-CD1 3.6Å |
| 61 | K | 92 | Very high | 91.2 | Very high | 42 Ų | 42 | 11.9 Ų | 11.9 | 18% | 0.183 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -74.4 | -43.1 | 180 | -171.3 | -168.9 | -169 | 176 | 0 | 113.1 | G57 E58 V59 Y252 Y316 L319 E321 | G57-K61 WeakPolarHBondContact O-CB 3.39Å; G57-K61 PolarHBondContact O-N 3.18Å; E58-K61 PolarHBondContact O-N 3.39Å; V59-K61 VanDerWaalsContact C-N 3.34Å; K61-Y252 PolarHBondContact O-OH 2.88Å; K61-Y316 WeakPolarHBondContact CA-O 3.43Å; K61-Y316 WeakPolarHBondContact CG-O 3.22Å; K61-L319 HydrophobicContact CB-CB 4.36Å; K61-L319 VanDerWaalsContact CD-O 3.29Å; K61-L319 WeakPolarHBondContact CD-O 3.44Å; K61-L319 WeakPolarHBondContact CE-O 3.34Å; K61-L319 PolarHBondContact NZ-O 2.99Å; K61-E321 HydrophobicContact CD-CG 4.04Å; K61-E321 IonicContact NZ-OE1 2.83Å; K61-E321 PolarHBondContact NZ-OE1 3.07Å |
| 62 | A | 87.1 | Confident | 91.5 | Very high | 49 Ų | 49 | 11.8 Ų | 11.8 | 41% | 0.405 | 7% | 0.069 | S | C | . | . | I | π-helix | trans | -93.4 | -39.2 | -168 | 0 | 0 | 0 | 0 | 0 | 113.9 | E58 | E58-A62 WeakPolarHBondContact O-CB 3.22Å; E58-A62 PolarHBondContact O-N 3.25Å |
| 63 | D | 86.9 | Confident | 91.7 | Very high | 47 Ų | 47 | 14.9 Ų | 14.9 | 25% | 0.251 | 9% | 0.085 | S | C | . | . | I | π-helix | trans | -119.3 | -41.5 | -162.4 | -57.7 | -42.1 | 0 | 0 | 0 | 114.2 | V59 Y252 G256 | V59-D63 HydrophobicContact CG1-CB 4.33Å; V59-D63 PolarHBondContact O-N 2.72Å; V59-D63 VanDerWaalsContact O-N 3.1Å; D63-Y252 WeakPolarHBondContact O-CB 3.42Å; D63-Y252 WeakPolarHBondContact O-CD2 3.08Å; D63-Y252 VanDerWaalsContact O-CG 3.23Å; D63-G256 CarbonylContact O-C 3.49Å; D63-G256 VanDerWaalsContact O-C 3.26Å; D63-G256 VanDerWaalsContact O-CA 3.23Å; D63-G256 WeakPolarHBondContact O-CA 3.41Å |
| 64 | S | 90.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -118.9 | -29.9 | -165.9 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | V59 S67 I68 | V59-S64 PolarHBondContact O-N 3.35Å; V59-S64 PolarHBondContact O-OG 2.65Å; S64-S67 PolarHBondContact O-OG 3.36Å; S64-I68 WeakPolarHBondContact OG-CA 3.42Å; S64-I68 VanDerWaalsContact OG-CB 3.29Å; S64-I68 WeakPolarHBondContact OG-CB 3.45Å |
| 65 | G | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | 66.2 | -146.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A60 S67 I68 | A60-G65 WeakPolarHBondContact O-CA 3.23Å; A60-G65 PolarHBondContact O-N 2.89Å; G65-S67 PolarHBondContact O-N 3.43Å; G65-I68 WeakPolarHBondContact O-CB 3.45Å; G65-I68 WeakPolarHBondContact O-CG2 3.44Å; G65-I68 PolarHBondContact O-N 3.21Å |
| 66 | P | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -59.1 | -23 | 174.6 | -27.1 | 37.6 | 0 | 0 | 0 | 114.8 | I68 W218 F249 Y316 | P66-I68 PolarHBondContact O-N 3.28Å; P66-I68 VanDerWaalsContact O-N 3.12Å; P66-W218 HydrophobicContact CB-CB 4.45Å; P66-W218 HydrophobicContact CB-CD2 4.27Å; P66-W218 HydrophobicContact CB-CG 3.86Å; P66-W218 HydrophobicContact CG-CG 4.27Å; P66-F249 HydrophobicContact CB-CD2 3.67Å; P66-F249 HydrophobicContact CB-CE2 4.04Å; P66-F249 HydrophobicContact CB-CG 4.45Å; P66-F249 WeakPolarHBondContact O-CE2 3.49Å; P66-Y316 HydrophobicContact CG-CD1 4.27Å |
| 67 | S | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -71.4 | -0.9 | 178.1 | 75.8 | 0 | 0 | 0 | 0 | 113.8 | S64 G65 V69 V70 S71 F249 T257 | S64-S67 PolarHBondContact O-OG 3.36Å; G65-S67 PolarHBondContact O-N 3.43Å; S67-V69 PolarHBondContact O-N 3.43Å; S67-V70 WeakPolarHBondContact O-CA 3.38Å; S67-V70 WeakPolarHBondContact O-CB 3.24Å; S67-V70 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-N 2.82Å; S67-F249 WeakPolarHBondContact CB-O 3.39Å; S67-F249 PolarHBondContact N-O 3.45Å; S67-T257 WeakPolarHBondContact CB-OG1 3.44Å; S67-T257 PolarHBondContact OG-OG1 2.84Å |
| 68 | I | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -50.4 | -30.3 | 170.1 | -168 | 168.7 | 0 | 0 | 0 | 112.8 | A56 V59 A60 S64 G65 P66 V70 S71 F72 T311 | A56-I68 HydrophobicContact CB-CD1 4.37Å; A56-I68 WeakPolarHBondContact O-CD1 3.4Å; V59-I68 HydrophobicContact CB-CD1 4.05Å; V59-I68 HydrophobicContact CG1-CD1 4.13Å; V59-I68 HydrophobicContact CG1-CG1 4.38Å; A60-I68 HydrophobicContact CB-CB 4.39Å; A60-I68 HydrophobicContact CB-CD1 3.86Å; A60-I68 HydrophobicContact CB-CG2 4.24Å; S64-I68 WeakPolarHBondContact OG-CA 3.42Å; S64-I68 VanDerWaalsContact OG-CB 3.29Å; S64-I68 WeakPolarHBondContact OG-CB 3.45Å; G65-I68 WeakPolarHBondContact O-CB 3.45Å; G65-I68 WeakPolarHBondContact O-CG2 3.44Å; G65-I68 PolarHBondContact O-N 3.21Å; P66-I68 PolarHBondContact O-N 3.28Å; P66-I68 VanDerWaalsContact O-N 3.12Å; I68-V70 VanDerWaalsContact C-N 3.29Å; I68-V70 PolarHBondContact O-N 3.35Å; I68-S71 WeakPolarHBondContact O-CB 3.41Å; I68-S71 PolarHBondContact O-N 2.83Å; I68-S71 VanDerWaalsContact O-N 3.15Å; I68-F72 HydrophobicContact CD1-CD2 4.25Å; I68-F72 HydrophobicContact CD1-CE2 3.68Å; I68-F72 HydrophobicContact CG1-CD2 3.73Å; I68-F72 HydrophobicContact CG1-CE2 3.68Å; I68-F72 WeakPolarHBondContact O-CD2 3.01Å; I68-F72 PolarHBondContact O-N 3.42Å; I68-T311 HydrophobicContact CG2-CG2 3.79Å |
| 69 | V | 95.7 | Very high | 92.6 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | S67 L73 W218 F304 A308 | S67-V69 PolarHBondContact O-N 3.43Å; V69-L73 PolarHBondContact O-N 2.73Å; V69-L73 VanDerWaalsContact O-N 3.15Å; V69-W218 HydrophobicContact CG2-CZ2 4.46Å; V69-F304 HydrophobicContact CG1-CD1 4.43Å; V69-F304 HydrophobicContact CG1-CD2 3.53Å; V69-F304 HydrophobicContact CG1-CE1 4.08Å; V69-F304 HydrophobicContact CG1-CE2 3.12Å; V69-F304 HydrophobicContact CG1-CG 4.18Å; V69-F304 HydrophobicContact CG1-CZ 3.42Å; V69-F304 VanDerWaalsContact CG1-CZ 3.42Å; V69-A308 HydrophobicContact CG2-CB 3.85Å |
| 70 | V | 95.4 | Very high | 92.7 | Very high | 43 Ų | 43 | 22.7 Ų | 22.7 | 26% | 0.261 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -73.3 | -38.1 | 173.9 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | S67 I68 F72 L73 I74 F249 T257 | S67-V70 WeakPolarHBondContact O-CA 3.38Å; S67-V70 WeakPolarHBondContact O-CB 3.24Å; S67-V70 PolarHBondContact O-N 2.91Å; I68-V70 VanDerWaalsContact C-N 3.29Å; I68-V70 PolarHBondContact O-N 3.35Å; V70-F72 PolarHBondContact O-N 3.4Å; V70-L73 WeakPolarHBondContact O-CB 3.49Å; V70-L73 PolarHBondContact O-N 3.26Å; V70-I74 HydrophobicContact CG1-CD1 4.03Å; V70-I74 HydrophobicContact CG1-CG1 4.44Å; V70-I74 WeakPolarHBondContact O-CG1 3.37Å; V70-I74 PolarHBondContact O-N 3.01Å; V70-F249 HydrophobicContact CG2-CE1 3.96Å; V70-F249 HydrophobicContact CG2-CZ 4.13Å; V70-T257 HydrophobicContact CB-CG2 4.01Å; V70-T257 HydrophobicContact CG1-CG2 4.07Å |
| 71 | S | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 112 | S67 I68 L73 I74 A75 T257 | S67-S71 PolarHBondContact O-N 2.82Å; I68-S71 WeakPolarHBondContact O-CB 3.41Å; I68-S71 PolarHBondContact O-N 2.83Å; I68-S71 VanDerWaalsContact O-N 3.15Å; S71-L73 PolarHBondContact O-N 3.21Å; S71-I74 PolarHBondContact O-N 3.15Å; S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 3Å; S71-T257 PolarHBondContact OG-O 2.87Å |
| 72 | F | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.5 | -33.7 | 175 | -85.4 | -63.5 | 0 | 0 | 0 | 113.1 | A56 I68 V70 A76 C264 A267 F268 Y303 S307 | A56-F72 HydrophobicContact CB-CE2 4.17Å; A56-F72 HydrophobicContact CB-CZ 4.31Å; I68-F72 HydrophobicContact CD1-CD2 4.25Å; I68-F72 HydrophobicContact CD1-CE2 3.68Å; I68-F72 HydrophobicContact CG1-CD2 3.73Å; I68-F72 HydrophobicContact CG1-CE2 3.68Å; I68-F72 WeakPolarHBondContact O-CD2 3.01Å; I68-F72 PolarHBondContact O-N 3.42Å; V70-F72 PolarHBondContact O-N 3.4Å; F72-A76 WeakPolarHBondContact O-CB 3.36Å; F72-A76 PolarHBondContact O-N 3.16Å; F72-C264 HydrophobicContact CD1-CB 3.79Å; F72-C264 HydrophobicContact CE1-CB 3.74Å; F72-C264 HydrophobicContact CG-CB 4.31Å; F72-C264 HydrophobicContact CZ-CB 4.22Å; F72-C264 VanDerWaalsContact CZ-SG 3.57Å; F72-A267 HydrophobicContact CE1-CB 3.67Å; F72-A267 HydrophobicContact CZ-CB 4.42Å; F72-F268 AromaticContact CD1-CE2 3.87Å; F72-F268 HydrophobicContact CD1-CE2 3.87Å; F72-Y303 HydrophobicContact CD1-CD1 4.02Å; F72-Y303 AromaticContact CD1-CG 3.99Å; F72-Y303 HydrophobicContact CD1-CG 3.99Å; F72-Y303 AromaticContact CE1-CD1 3.46Å; F72-Y303 HydrophobicContact CE1-CD1 3.46Å; F72-Y303 VanDerWaalsContact CE1-CD1 3.46Å; F72-Y303 HydrophobicContact CE1-CE1 4.01Å; F72-Y303 AromaticContact CE1-CG 3.89Å; F72-Y303 HydrophobicContact CE1-CG 3.89Å; F72-Y303 AromaticContact CZ-CD1 3.77Å; F72-Y303 HydrophobicContact CZ-CD1 3.77Å; F72-Y303 HydrophobicContact CZ-CE1 4.32Å; F72-S307 WeakPolarHBondContact CD2-OG 3.42Å; F72-S307 WeakPolarHBondContact CE2-OG 3.41Å |
| 73 | L | 94.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 19.6 Ų | 19.6 | 34% | 0.34 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 173.3 | 177.1 | 64.3 | 0 | 0 | 0 | 111.5 | V69 V70 S71 A76 L77 F300 | V69-L73 PolarHBondContact O-N 2.73Å; V69-L73 VanDerWaalsContact O-N 3.15Å; V70-L73 WeakPolarHBondContact O-CB 3.49Å; V70-L73 PolarHBondContact O-N 3.26Å; S71-L73 PolarHBondContact O-N 3.21Å; L73-A76 PolarHBondContact O-N 3.03Å; L73-L77 HydrophobicContact CG-CD1 4.43Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 2.72Å; L73-F300 HydrophobicContact CD1-CE2 3.72Å; L73-F300 HydrophobicContact CD1-CZ 3.64Å |
| 74 | I | 91.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 18.7 Ų | 18.7 | 28% | 0.282 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.5 | -66.1 | 167.3 | 0 | 0 | 0 | 110.3 | V70 S71 A76 L77 A78 A261 | V70-I74 HydrophobicContact CG1-CD1 4.03Å; V70-I74 HydrophobicContact CG1-CG1 4.44Å; V70-I74 WeakPolarHBondContact O-CG1 3.37Å; V70-I74 PolarHBondContact O-N 3.01Å; S71-I74 PolarHBondContact O-N 3.15Å; I74-A76 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 3.43Å; I74-A78 PolarHBondContact O-N 2.89Å; I74-A78 VanDerWaalsContact O-N 3.09Å; I74-A261 HydrophobicContact CB-CB 3.98Å; I74-A261 HydrophobicContact CG2-CB 3.92Å |
| 75 | A | 91.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | S71 L77 A78 S79 C264 F268 | S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 3Å; A75-L77 PolarHBondContact O-N 3.15Å; A75-A78 WeakPolarHBondContact O-CB 3.38Å; A75-A78 PolarHBondContact O-N 3.4Å; A75-S79 PolarHBondContact O-N 3.42Å; A75-S79 PolarHBondContact O-OG 3.43Å; A75-C264 HydrophobicContact CB-CB 4.04Å; A75-F268 HydrophobicContact CB-CD2 3.88Å; A75-F268 HydrophobicContact CB-CE2 3.94Å |
| 76 | A | 93.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F72 L73 I74 A78 S79 V80 F268 F300 | F72-A76 WeakPolarHBondContact O-CB 3.36Å; F72-A76 PolarHBondContact O-N 3.16Å; L73-A76 PolarHBondContact O-N 3.03Å; I74-A76 PolarHBondContact O-N 3.37Å; A76-A78 VanDerWaalsContact C-N 3.34Å; A76-A78 PolarHBondContact O-N 3.2Å; A76-S79 PolarHBondContact O-N 3.45Å; A76-V80 WeakPolarHBondContact O-CB 3.19Å; A76-V80 VanDerWaalsContact O-CG2 3.27Å; A76-V80 WeakPolarHBondContact O-CG2 3.36Å; A76-V80 PolarHBondContact O-N 3.15Å; A76-F268 HydrophobicContact CB-CE1 3.95Å; A76-F268 HydrophobicContact CB-CE2 3.84Å; A76-F268 HydrophobicContact CB-CZ 3.46Å; A76-F268 VanDerWaalsContact CB-CZ 3.46Å; A76-F300 HydrophobicContact CB-CB 4.1Å; A76-F300 HydrophobicContact CB-CD2 3.34Å; A76-F300 HydrophobicContact CB-CE2 4.03Å; A76-F300 HydrophobicContact CB-CG 3.91Å |
| 77 | L | 91.8 | Very high | 93.5 | Very high | 103 Ų | 103 | 18.6 Ų | 18.6 | 54% | 0.539 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.1 | -71.2 | 171.6 | 0 | 0 | 0 | 111.1 | L73 I74 A75 S79 V80 M81 | L73-L77 HydrophobicContact CG-CD1 4.43Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 2.72Å; I74-L77 PolarHBondContact O-N 3.43Å; A75-L77 PolarHBondContact O-N 3.15Å; L77-S79 PolarHBondContact O-N 3.03Å; L77-V80 PolarHBondContact O-N 3.37Å; L77-M81 WeakPolarHBondContact O-CE 3.26Å; L77-M81 WeakPolarHBondContact O-CG 3.26Å; L77-M81 PolarHBondContact O-N 3.49Å |
| 78 | A | 90.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I74 A75 A76 M81 A82 F265 V571 | I74-A78 PolarHBondContact O-N 2.89Å; I74-A78 VanDerWaalsContact O-N 3.09Å; A75-A78 WeakPolarHBondContact O-CB 3.38Å; A75-A78 PolarHBondContact O-N 3.4Å; A76-A78 VanDerWaalsContact C-N 3.34Å; A76-A78 PolarHBondContact O-N 3.2Å; A78-M81 PolarHBondContact O-N 2.68Å; A78-A82 PolarHBondContact O-N 3.14Å; A78-F265 HydrophobicContact CB-CD2 4.19Å; A78-F265 HydrophobicContact CB-CE2 4.18Å; A78-V571 HydrophobicContact CB-CG1 3.6Å |
| 79 | S | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.6 | -34.5 | -177.9 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | A75 A76 L77 M81 A82 G83 F265 F268 | A75-S79 PolarHBondContact O-N 3.42Å; A75-S79 PolarHBondContact O-OG 3.43Å; A76-S79 PolarHBondContact O-N 3.45Å; L77-S79 PolarHBondContact O-N 3.03Å; S79-M81 VanDerWaalsContact C-N 3.35Å; S79-A82 PolarHBondContact O-N 3.37Å; S79-G83 PolarHBondContact O-N 3.29Å; S79-F265 VanDerWaalsContact OG-CE2 3.3Å; S79-F265 WeakPolarHBondContact OG-CE2 3Å; S79-F268 WeakPolarHBondContact OG-CB 3.3Å |
| 80 | V | 93.4 | Very high | 92.6 | Very high | 54 Ų | 54 | 18.1 Ų | 18.1 | 33% | 0.327 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.4 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | A76 L77 A82 G83 L84 L296 | A76-V80 WeakPolarHBondContact O-CB 3.19Å; A76-V80 VanDerWaalsContact O-CG2 3.27Å; A76-V80 WeakPolarHBondContact O-CG2 3.36Å; A76-V80 PolarHBondContact O-N 3.15Å; L77-V80 PolarHBondContact O-N 3.37Å; V80-A82 PolarHBondContact O-N 2.8Å; V80-G83 PolarHBondContact O-N 3.28Å; V80-L84 HydrophobicContact CG1-CD1 4.02Å; V80-L84 HydrophobicContact CG1-CG 4.3Å; V80-L84 VanDerWaalsContact O-CG 3.23Å; V80-L84 WeakPolarHBondContact O-CG 3.47Å; V80-L84 PolarHBondContact O-N 2.73Å; V80-L296 HydrophobicContact CG2-CB 4.36Å |
| 81 | M | 93.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 16.3 Ų | 16.3 | 13% | 0.128 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 178.3 | -66.2 | -178.5 | -65.1 | 0 | 0 | 112.2 | L77 A78 S79 C85 L564 F567 V571 | L77-M81 WeakPolarHBondContact O-CE 3.26Å; L77-M81 WeakPolarHBondContact O-CG 3.26Å; L77-M81 PolarHBondContact O-N 3.49Å; A78-M81 PolarHBondContact O-N 2.68Å; S79-M81 VanDerWaalsContact C-N 3.35Å; M81-C85 PolarHBondContact O-N 3.46Å; M81-C85 PolarHBondContact O-SG 3.12Å; M81-L564 HydrophobicContact CB-CD2 3.99Å; M81-L564 HydrophobicContact CB-CG 4.49Å; M81-L564 HydrophobicContact CG-CD2 4.31Å; M81-L564 HydrophobicContact CG-CG 4.29Å; M81-F567 HydrophobicContact CE-CD1 3.66Å; M81-F567 HydrophobicContact CE-CE1 3.71Å; M81-F567 HydrophobicContact SD-CD1 3.41Å; M81-F567 WeakPolarHBondContact SD-CD1 3.39Å; M81-F567 HydrophobicContact SD-CE1 3.91Å; M81-V571 HydrophobicContact CE-CG2 4.22Å |
| 82 | A | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A78 S79 V80 L84 C85 Y86 F271 Y422 | A78-A82 PolarHBondContact O-N 3.14Å; S79-A82 PolarHBondContact O-N 3.37Å; V80-A82 PolarHBondContact O-N 2.8Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.03Å; A82-C85 WeakPolarHBondContact O-CA 3.11Å; A82-C85 WeakPolarHBondContact O-CB 3.34Å; A82-C85 PolarHBondContact O-N 3.22Å; A82-Y86 WeakPolarHBondContact O-CD2 3.25Å; A82-Y86 PolarHBondContact O-N 3.42Å; A82-F271 HydrophobicContact CB-CZ 4.11Å; A82-Y422 HydrophobicContact CB-CD2 3.53Å; A82-Y422 HydrophobicContact CB-CE2 4.23Å; A82-Y422 HydrophobicContact CB-CG 3.93Å |
| 83 | G | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.4 | -39.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S79 V80 C85 Y86 A87 F271 I292 | S79-G83 PolarHBondContact O-N 3.29Å; V80-G83 PolarHBondContact O-N 3.28Å; G83-C85 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 3.5Å; G83-Y86 PolarHBondContact O-N 3.24Å; G83-A87 WeakPolarHBondContact O-CB 3.14Å; G83-A87 PolarHBondContact O-N 3.09Å; G83-F271 VanDerWaalsContact CA-CE2 3.46Å; G83-I292 WeakPolarHBondContact O-CG2 3.23Å |
| 84 | L | 94.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 16.4 Ų | 16.4 | 14% | 0.141 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 174.5 | -65.7 | 167.6 | 0 | 0 | 0 | 111.4 | V80 A82 A87 E88 V293 F556 V558 L564 | V80-L84 HydrophobicContact CG1-CD1 4.02Å; V80-L84 HydrophobicContact CG1-CG 4.3Å; V80-L84 VanDerWaalsContact O-CG 3.23Å; V80-L84 WeakPolarHBondContact O-CG 3.47Å; V80-L84 PolarHBondContact O-N 2.73Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.03Å; L84-A87 PolarHBondContact O-N 3.2Å; L84-E88 PolarHBondContact O-N 3.5Å; L84-E88 VanDerWaalsContact O-N 3.09Å; L84-V293 HydrophobicContact CD2-CG2 3.97Å; L84-F556 HydrophobicContact CD2-CE1 4.28Å; L84-F556 HydrophobicContact CD2-CZ 3.58Å; L84-V558 HydrophobicContact CB-CG2 4.36Å; L84-V558 WeakPolarHBondContact O-CG2 3.05Å; L84-L564 HydrophobicContact CD1-CD1 3.83Å |
| 85 | C | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | M81 A82 G83 E88 F89 V425 V429 | M81-C85 PolarHBondContact O-N 3.46Å; M81-C85 PolarHBondContact O-SG 3.12Å; A82-C85 WeakPolarHBondContact O-CA 3.11Å; A82-C85 WeakPolarHBondContact O-CB 3.34Å; A82-C85 PolarHBondContact O-N 3.22Å; G83-C85 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 3.5Å; C85-E88 PolarHBondContact O-N 2.89Å; C85-F89 PolarHBondContact O-N 3.1Å; C85-F89 VanDerWaalsContact O-N 3.15Å; C85-V425 HydrophobicContact CB-CG1 4.28Å; C85-V429 HydrophobicContact CB-CG2 4.02Å; C85-V429 WeakPolarHBondContact O-CG2 3.21Å |
| 86 | Y | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 173.2 | -87.8 | -98.1 | 0 | 0 | 0 | 112.6 | A82 G83 E88 F89 G90 S98 A99 Y102 F271 D272 A275 Y422 V425 | A82-Y86 WeakPolarHBondContact O-CD2 3.25Å; A82-Y86 PolarHBondContact O-N 3.42Å; G83-Y86 PolarHBondContact O-N 3.24Å; Y86-E88 PolarHBondContact O-N 2.68Å; Y86-F89 PolarHBondContact O-N 3.45Å; Y86-G90 PolarHBondContact O-N 3.45Å; Y86-S98 WeakPolarHBondContact CE1-OG 3.49Å; Y86-A99 HydrophobicContact CE1-CB 4.17Å; Y86-A99 WeakPolarHBondContact OH-CB 3.46Å; Y86-Y102 HydrophobicContact CD1-CE2 4.13Å; Y86-F271 AromaticContact CD2-CE2 3.83Å; Y86-F271 HydrophobicContact CD2-CE2 3.83Å; Y86-F271 HydrophobicContact CD2-CZ 4.3Å; Y86-F271 HydrophobicContact CE2-CE2 4.39Å; Y86-F271 AromaticContact CG-CE2 3.94Å; Y86-F271 HydrophobicContact CG-CE2 3.94Å; Y86-D272 HydrophobicContact CD1-CB 4.24Å; Y86-D272 HydrophobicContact CE1-CB 3.81Å; Y86-A275 HydrophobicContact CD1-CB 3.93Å; Y86-Y422 AromaticContact CE2-CD1 3.4Å; Y86-Y422 HydrophobicContact CE2-CD1 3.4Å; Y86-Y422 AromaticContact CE2-CE1 3.81Å; Y86-Y422 HydrophobicContact CE2-CE1 3.81Å; Y86-Y422 HydrophobicContact CE2-CG 4.09Å; Y86-Y422 AromaticContact CZ-CD1 3.67Å; Y86-Y422 AromaticContact CZ-CE1 3.86Å; Y86-Y422 VanDerWaalsContact OH-CD1 3.25Å; Y86-Y422 WeakPolarHBondContact OH-CD1 3.35Å; Y86-V425 HydrophobicContact CD2-CB 4.16Å; Y86-V425 HydrophobicContact CD2-CG1 3.76Å; Y86-V425 HydrophobicContact CD2-CG2 4.44Å; Y86-V425 HydrophobicContact CE1-CG2 4.02Å; Y86-V425 HydrophobicContact CE2-CB 3.75Å; Y86-V425 HydrophobicContact CE2-CG1 3.88Å; Y86-V425 HydrophobicContact CE2-CG2 3.77Å; Y86-V425 HydrophobicContact CG-CG1 4.1Å |
| 87 | A | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G83 L84 A91 P289 I292 F556 | G83-A87 WeakPolarHBondContact O-CB 3.14Å; G83-A87 PolarHBondContact O-N 3.09Å; L84-A87 PolarHBondContact O-N 3.2Å; A87-A91 WeakPolarHBondContact O-CB 3.45Å; A87-A91 PolarHBondContact O-N 3.08Å; A87-P289 HydrophobicContact CB-CB 4.06Å; A87-P289 HydrophobicContact CB-CG 4.49Å; A87-I292 HydrophobicContact CB-CD1 4.3Å; A87-F556 HydrophobicContact CB-CD1 3.68Å; A87-F556 HydrophobicContact CB-CE1 3.67Å; A87-F556 HydrophobicContact CB-CG 4.43Å; A87-F556 HydrophobicContact CB-CZ 4.4Å |
| 88 | E | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.6 | 174.9 | 173 | 158.7 | 0 | 0 | 111.8 | L84 C85 Y86 A91 R92 R433 F556 V558 | L84-E88 PolarHBondContact O-N 3.5Å; L84-E88 VanDerWaalsContact O-N 3.09Å; C85-E88 PolarHBondContact O-N 2.89Å; Y86-E88 PolarHBondContact O-N 2.68Å; E88-A91 PolarHBondContact O-N 3.39Å; E88-R92 WeakPolarHBondContact O-CG 3.35Å; E88-R92 PolarHBondContact O-N 3.06Å; E88-R92 VanDerWaalsContact O-N 3.17Å; E88-R92 IonicContact OE1-CZ 2.73Å; E88-R92 IonicContact OE1-NE 2.7Å; E88-R92 PolarHBondContact OE1-NE 3.02Å; E88-R92 VanDerWaalsContact OE1-NE 3.14Å; E88-R92 IonicContact OE1-NH2 2.67Å; E88-R92 PolarHBondContact OE1-NH2 3.09Å; E88-R433 IonicContact OE1-CZ 3.16Å; E88-R433 IonicContact OE1-NE 3.35Å; E88-R433 PolarHBondContact OE1-NE 3.2Å; E88-R433 IonicContact OE1-NH2 2.96Å; E88-R433 PolarHBondContact OE1-NH2 2.93Å; E88-R433 IonicContact OE2-CZ 3.56Å; E88-R433 IonicContact OE2-NE 2.87Å; E88-R433 PolarHBondContact OE2-NE 3.08Å; E88-R433 IonicContact OE2-NH2 2.76Å; E88-R433 PolarHBondContact OE2-NH2 3.29Å; E88-F556 HydrophobicContact CB-CD1 4.09Å; E88-F556 HydrophobicContact CB-CE1 4.48Å; E88-V558 HydrophobicContact CB-CG2 3.56Å; E88-V558 HydrophobicContact CG-CG2 4.4Å; E88-V558 WeakPolarHBondContact OE2-CB 3.4Å; E88-V558 VanDerWaalsContact OE2-CG2 3.26Å; E88-V558 WeakPolarHBondContact OE2-CG2 3.21Å; E88-V558 PolarHBondContact OE2-N 3.16Å |
| 89 | F | 88.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | -177 | -144.5 | -60.1 | 0 | 0 | 0 | 111.5 | C85 Y86 A91 R92 V93 Y102 T106 C428 V429 L432 | C85-F89 PolarHBondContact O-N 3.1Å; C85-F89 VanDerWaalsContact O-N 3.15Å; Y86-F89 PolarHBondContact O-N 3.45Å; F89-A91 VanDerWaalsContact C-N 3.26Å; F89-A91 PolarHBondContact O-N 3.31Å; F89-R92 WeakPolarHBondContact O-CB 3.48Å; F89-R92 PolarHBondContact O-N 2.82Å; F89-V93 HydrophobicContact CD1-CB 4.25Å; F89-V93 HydrophobicContact CD1-CG2 4.14Å; F89-V93 HydrophobicContact CE1-CB 4.12Å; F89-V93 HydrophobicContact CE1-CG2 3.69Å; F89-V93 PolarHBondContact O-N 3.15Å; F89-Y102 HydrophobicContact CB-CD1 4.43Å; F89-Y102 HydrophobicContact CB-CD2 3.76Å; F89-Y102 HydrophobicContact CB-CE1 4.44Å; F89-Y102 HydrophobicContact CB-CE2 3.79Å; F89-Y102 HydrophobicContact CB-CG 4.11Å; F89-Y102 AromaticContact CD1-CD1 3.03Å; F89-Y102 HydrophobicContact CD1-CD1 3.03Å; F89-Y102 AromaticContact CD1-CD2 3.8Å; F89-Y102 HydrophobicContact CD1-CD2 3.8Å; F89-Y102 AromaticContact CD1-CE1 3.5Å; F89-Y102 HydrophobicContact CD1-CE1 3.5Å; F89-Y102 HydrophobicContact CD1-CE2 4.2Å; F89-Y102 AromaticContact CD1-CG 3.21Å; F89-Y102 HydrophobicContact CD1-CG 3.21Å; F89-Y102 HydrophobicContact CD2-CD2 4.37Å; F89-Y102 HydrophobicContact CD2-CG 4.14Å; F89-Y102 AromaticContact CE1-CD1 3.3Å; F89-Y102 HydrophobicContact CE1-CD1 3.3Å; F89-Y102 HydrophobicContact CE1-CE1 4.14Å; F89-Y102 AromaticContact CE1-CG 3.54Å; F89-Y102 HydrophobicContact CE1-CG 3.54Å; F89-Y102 HydrophobicContact CE2-CG 4.41Å; F89-Y102 AromaticContact CG-CD1 3.84Å; F89-Y102 HydrophobicContact CG-CD1 3.84Å; F89-Y102 AromaticContact CG-CD2 3.7Å; F89-Y102 HydrophobicContact CG-CD2 3.7Å; F89-Y102 HydrophobicContact CG-CE1 4.28Å; F89-Y102 HydrophobicContact CG-CE2 4.16Å; F89-Y102 AromaticContact CG-CG 3.54Å; F89-Y102 HydrophobicContact CG-CG 3.54Å; F89-Y102 HydrophobicContact CZ-CD1 4.28Å; F89-Y102 HydrophobicContact CZ-CG 4.13Å; F89-T106 HydrophobicContact CE2-CG2 3.82Å; F89-T106 HydrophobicContact CZ-CG2 3.7Å; F89-C428 HydrophobicContact CD2-CB 4.19Å; F89-C428 HydrophobicContact CE2-CB 3.68Å; F89-V429 HydrophobicContact CB-CG2 4.29Å; F89-V429 HydrophobicContact CD2-CG2 3.87Å; F89-L432 HydrophobicContact CD2-CD2 4.25Å; F89-L432 HydrophobicContact CE1-CD2 4.46Å; F89-L432 HydrophobicContact CE2-CB 4.48Å; F89-L432 HydrophobicContact CE2-CD2 3.79Å; F89-L432 HydrophobicContact CZ-CD2 3.93Å |
| 90 | G | 87.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.4 | -29.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y86 R92 Y102 | Y86-G90 PolarHBondContact O-N 3.45Å; G90-R92 VanDerWaalsContact C-N 3.34Å; G90-Y102 WeakPolarHBondContact CA-OH 3.36Å; G90-Y102 PolarHBondContact N-OH 3.42Å |
| 91 | A | 86.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 7.7 Ų | 7.7 | 4% | 0.041 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -71.2 | -28.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A87 E88 F89 Q285 P289 F556 | A87-A91 WeakPolarHBondContact O-CB 3.45Å; A87-A91 PolarHBondContact O-N 3.08Å; E88-A91 PolarHBondContact O-N 3.39Å; F89-A91 VanDerWaalsContact C-N 3.26Å; F89-A91 PolarHBondContact O-N 3.31Å; A91-Q285 WeakPolarHBondContact CB-O 3.16Å; A91-Q285 WeakPolarHBondContact O-CG 3.24Å; A91-P289 HydrophobicContact CB-CG 3.81Å; A91-F556 HydrophobicContact CB-CB 4.31Å |
| 92 | R | 85.1 | Confident | 88.6 | Confident | 39 Ų | 39 | 6.5 Ų | 6.5 | 15% | 0.147 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -84.7 | -44.1 | -179.2 | -74.4 | 176.5 | -177.2 | -133.4 | 0.9 | 113.1 | E88 F89 G90 P94 L432 V554 | E88-R92 WeakPolarHBondContact O-CG 3.35Å; E88-R92 PolarHBondContact O-N 3.06Å; E88-R92 VanDerWaalsContact O-N 3.17Å; E88-R92 IonicContact OE1-CZ 2.73Å; E88-R92 IonicContact OE1-NE 2.7Å; E88-R92 PolarHBondContact OE1-NE 3.02Å; E88-R92 VanDerWaalsContact OE1-NE 3.14Å; E88-R92 IonicContact OE1-NH2 2.67Å; E88-R92 PolarHBondContact OE1-NH2 3.09Å; F89-R92 WeakPolarHBondContact O-CB 3.48Å; F89-R92 PolarHBondContact O-N 2.82Å; G90-R92 VanDerWaalsContact C-N 3.34Å; R92-P94 VanDerWaalsContact C-CD 3.48Å; R92-P94 WeakPolarHBondContact O-CD 3.21Å; R92-L432 VanDerWaalsContact CD-CD2 3.43Å; R92-V554 HydrophobicContact CG-CB 4.2Å; R92-V554 HydrophobicContact CG-CG1 3.65Å; R92-V554 HydrophobicContact CG-CG2 4.38Å |
| 93 | V | 84.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 6.5 Ų | 6.5 | 9% | 0.091 | 3% | 0.032 | C | C | . | . | trans | -124.6 | 78.4 | -175.5 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | F89 K95 L101 Y102 | F89-V93 HydrophobicContact CD1-CB 4.25Å; F89-V93 HydrophobicContact CD1-CG2 4.14Å; F89-V93 HydrophobicContact CE1-CB 4.12Å; F89-V93 HydrophobicContact CE1-CG2 3.69Å; F89-V93 PolarHBondContact O-N 3.15Å; V93-K95 HydrophobicContact CG1-CB 4.31Å; V93-K95 PolarHBondContact O-N 3.36Å; V93-L101 HydrophobicContact CG1-CD2 3.73Å; V93-L101 HydrophobicContact CG1-CG 4.28Å; V93-Y102 HydrophobicContact CB-CE1 4.5Å | ||
| 94 | P | 82.5 | Confident | 88.4 | Confident | 12 Ų | 12 | 6.5 Ų | 6.5 | 8% | 0.078 | 3% | 0.032 | C | C | . | . | trans | -77.4 | 57 | -175.7 | 33.6 | -39.1 | 0 | 0 | 0 | 112.4 | L25 R92 G278 P284 | L25-P94 HydrophobicContact CD2-CG 4.4Å; R92-P94 VanDerWaalsContact C-CD 3.48Å; R92-P94 WeakPolarHBondContact O-CD 3.21Å; P94-G278 CarbonylContact O-C 3.54Å; P94-P284 HydrophobicContact CB-CB 3.49Å; P94-P284 VanDerWaalsContact CB-CB 3.49Å; P94-P284 HydrophobicContact CB-CG 3.43Å; P94-P284 VanDerWaalsContact CB-CG 3.43Å; P94-P284 HydrophobicContact CG-CG 4.15Å | ||
| 95 | K | 84.5 | Confident | 88.1 | Confident | 26 Ų | 26 | 6.4 Ų | 6.4 | 11% | 0.113 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -119.8 | 159.5 | -177.4 | -81.2 | -74.4 | -177.4 | 166.5 | 0 | 111.5 | N24 L25 D27 V93 L101 E279 | N24-K95 WeakPolarHBondContact O-CE 3.28Å; N24-K95 PolarHBondContact O-NZ 3.48Å; L25-K95 HydrophobicContact CD2-CG 3.86Å; D27-K95 PolarHBondContact O-NZ 3.48Å; V93-K95 HydrophobicContact CG1-CB 4.31Å; V93-K95 PolarHBondContact O-N 3.36Å; K95-L101 HydrophobicContact CB-CD2 3.25Å; K95-L101 HydrophobicContact CG-CD2 4.31Å; K95-E279 HydrophobicContact CD-CG 3.85Å; K95-E279 WeakPolarHBondContact CD-OE1 3.27Å; K95-E279 IonicContact NZ-OE1 3.82Å |
| 96 | T | 81.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 6.4 Ų | 6.4 | 3% | 0.031 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 142 | 178.3 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | E279 R362 | T96-E279 VanDerWaalsContact CB-CD 3.48Å; T96-E279 WeakPolarHBondContact CB-OE2 3.4Å; T96-E279 PolarHBondContact N-OE1 3.44Å; T96-E279 VanDerWaalsContact N-OE1 3.07Å; T96-E279 WeakPolarHBondContact OG1-CB 3.4Å; T96-E279 VanDerWaalsContact OG1-CG 3.3Å; T96-E279 WeakPolarHBondContact OG1-CG 3.24Å; T96-E279 PolarHBondContact OG1-OE2 2.93Å; T96-R362 HydrophobicContact CG2-CB 3.6Å; T96-R362 HydrophobicContact CG2-CG 4.24Å; T96-R362 WeakPolarHBondContact CG2-O 3.36Å |
| 97 | G | 74.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 119.6 | -11.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A99 Y100 | G97-A99 PolarHBondContact O-N 3.35Å; G97-Y100 WeakPolarHBondContact O-CB 3.45Å; G97-Y100 PolarHBondContact O-N 3.45Å; G97-Y100 VanDerWaalsContact O-N 3.11Å |
| 98 | S | 87.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -130.3 | 171.7 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | Y86 Y100 L101 Y102 A275 T276 | Y86-S98 WeakPolarHBondContact CE1-OG 3.49Å; S98-Y100 PolarHBondContact O-N 2.87Å; S98-Y100 VanDerWaalsContact O-N 3.14Å; S98-L101 PolarHBondContact O-N 2.96Å; S98-L101 VanDerWaalsContact O-N 3.08Å; S98-Y102 WeakPolarHBondContact O-CD1 3.49Å; S98-Y102 WeakPolarHBondContact O-CD2 3.18Å; S98-Y102 WeakPolarHBondContact O-CE1 3.32Å; S98-Y102 PolarHBondContact O-N 2.85Å; S98-A275 WeakPolarHBondContact OG-CB 3.36Å; S98-T276 WeakPolarHBondContact CB-OG1 3.48Å |
| 99 | A | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -55.1 | -32.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y86 G97 Y102 T103 T115 L119 V425 | Y86-A99 HydrophobicContact CE1-CB 4.17Å; Y86-A99 WeakPolarHBondContact OH-CB 3.46Å; G97-A99 PolarHBondContact O-N 3.35Å; A99-Y102 PolarHBondContact O-N 3.28Å; A99-T103 WeakPolarHBondContact O-CB 3.48Å; A99-T103 PolarHBondContact O-N 3.23Å; A99-T103 PolarHBondContact O-OG1 3.45Å; A99-T115 HydrophobicContact CB-CG2 3.61Å; A99-L119 HydrophobicContact CB-CD1 3.96Å; A99-V425 HydrophobicContact CB-CG2 3.36Å |
| 100 | Y | 94.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 9.6 Ų | 9.6 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.3 | -53.4 | 175.2 | 158.8 | -102.1 | 0 | 0 | 0 | 110.8 | G97 S98 Y102 T103 Y104 A112 A366 M367 D370 L372 | G97-Y100 WeakPolarHBondContact O-CB 3.45Å; G97-Y100 PolarHBondContact O-N 3.45Å; G97-Y100 VanDerWaalsContact O-N 3.11Å; S98-Y100 PolarHBondContact O-N 2.87Å; S98-Y100 VanDerWaalsContact O-N 3.14Å; Y100-Y102 VanDerWaalsContact C-N 3.32Å; Y100-Y102 PolarHBondContact O-N 3.42Å; Y100-T103 PolarHBondContact O-N 3.2Å; Y100-Y104 HydrophobicContact CE1-CD1 4.31Å; Y100-Y104 HydrophobicContact CE2-CD1 4.2Å; Y100-Y104 AromaticContact CZ-CD1 3.7Å; Y100-Y104 PolarHBondContact O-N 3.44Å; Y100-Y104 VanDerWaalsContact OH-CD1 3.3Å; Y100-Y104 WeakPolarHBondContact OH-CD1 3.35Å; Y100-Y104 VanDerWaalsContact OH-CE1 3.29Å; Y100-Y104 WeakPolarHBondContact OH-CE1 3.45Å; Y100-A112 HydrophobicContact CD2-CB 3.98Å; Y100-A112 VanDerWaalsContact CD2-O 3.28Å; Y100-A112 WeakPolarHBondContact CD2-O 3.09Å; Y100-A112 HydrophobicContact CE2-CB 3.81Å; Y100-A366 HydrophobicContact CD1-CB 4.35Å; Y100-A366 HydrophobicContact CE1-CB 4.3Å; Y100-M367 HydrophobicContact CD1-CG 4.12Å; Y100-M367 HydrophobicContact CD2-CG 3.79Å; Y100-M367 HydrophobicContact CD2-SD 4.36Å; Y100-M367 HydrophobicContact CE1-CG 4.01Å; Y100-M367 HydrophobicContact CE2-CE 4.5Å; Y100-M367 HydrophobicContact CE2-CG 3.7Å; Y100-M367 HydrophobicContact CG-CG 4.01Å; Y100-D370 VanDerWaalsContact CE1-OD2 3.31Å; Y100-D370 WeakPolarHBondContact CE1-OD2 3.48Å; Y100-D370 VanDerWaalsContact OH-CB 3.32Å; Y100-D370 WeakPolarHBondContact OH-CB 3.12Å; Y100-D370 PolarHBondContact OH-OD2 3.41Å; Y100-L372 HydrophobicContact CE2-CD1 3.72Å; Y100-L372 VanDerWaalsContact OH-CD1 3.23Å; Y100-L372 WeakPolarHBondContact OH-CD1 3.48Å |
| 101 | L | 90.5 | Very high | 87.7 | Confident | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | -179.1 | -179.1 | 63.9 | 0 | 0 | 0 | 111 | K18 V93 K95 S98 T103 Y104 V105 | K18-L101 HydrophobicContact CD-CD1 3.91Å; V93-L101 HydrophobicContact CG1-CD2 3.73Å; V93-L101 HydrophobicContact CG1-CG 4.28Å; K95-L101 HydrophobicContact CB-CD2 3.25Å; K95-L101 HydrophobicContact CG-CD2 4.31Å; S98-L101 PolarHBondContact O-N 2.96Å; S98-L101 VanDerWaalsContact O-N 3.08Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 2.99Å; L101-Y104 PolarHBondContact O-N 3.44Å; L101-Y104 VanDerWaalsContact O-N 3.16Å; L101-V105 HydrophobicContact CD1-CG2 4.18Å; L101-V105 HydrophobicContact CG-CG2 4.48Å; L101-V105 WeakPolarHBondContact O-CG2 3.37Å; L101-V105 PolarHBondContact O-N 2.83Å |
| 102 | Y | 90.6 | Very high | 88 | Confident | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | -179.7 | -56.5 | -13.3 | 0 | 0 | 0 | 111.4 | Y86 F89 G90 V93 S98 A99 Y100 T106 V425 | Y86-Y102 HydrophobicContact CD1-CE2 4.13Å; F89-Y102 HydrophobicContact CB-CD1 4.43Å; F89-Y102 HydrophobicContact CB-CD2 3.76Å; F89-Y102 HydrophobicContact CB-CE1 4.44Å; F89-Y102 HydrophobicContact CB-CE2 3.79Å; F89-Y102 HydrophobicContact CB-CG 4.11Å; F89-Y102 AromaticContact CD1-CD1 3.03Å; F89-Y102 HydrophobicContact CD1-CD1 3.03Å; F89-Y102 AromaticContact CD1-CD2 3.8Å; F89-Y102 HydrophobicContact CD1-CD2 3.8Å; F89-Y102 AromaticContact CD1-CE1 3.5Å; F89-Y102 HydrophobicContact CD1-CE1 3.5Å; F89-Y102 HydrophobicContact CD1-CE2 4.2Å; F89-Y102 AromaticContact CD1-CG 3.21Å; F89-Y102 HydrophobicContact CD1-CG 3.21Å; F89-Y102 HydrophobicContact CD2-CD2 4.37Å; F89-Y102 HydrophobicContact CD2-CG 4.14Å; F89-Y102 AromaticContact CE1-CD1 3.3Å; F89-Y102 HydrophobicContact CE1-CD1 3.3Å; F89-Y102 HydrophobicContact CE1-CE1 4.14Å; F89-Y102 AromaticContact CE1-CG 3.54Å; F89-Y102 HydrophobicContact CE1-CG 3.54Å; F89-Y102 HydrophobicContact CE2-CG 4.41Å; F89-Y102 AromaticContact CG-CD1 3.84Å; F89-Y102 HydrophobicContact CG-CD1 3.84Å; F89-Y102 AromaticContact CG-CD2 3.7Å; F89-Y102 HydrophobicContact CG-CD2 3.7Å; F89-Y102 HydrophobicContact CG-CE1 4.28Å; F89-Y102 HydrophobicContact CG-CE2 4.16Å; F89-Y102 AromaticContact CG-CG 3.54Å; F89-Y102 HydrophobicContact CG-CG 3.54Å; F89-Y102 HydrophobicContact CZ-CD1 4.28Å; F89-Y102 HydrophobicContact CZ-CG 4.13Å; G90-Y102 WeakPolarHBondContact CA-OH 3.36Å; G90-Y102 PolarHBondContact N-OH 3.42Å; V93-Y102 HydrophobicContact CB-CE1 4.5Å; S98-Y102 WeakPolarHBondContact O-CD1 3.49Å; S98-Y102 WeakPolarHBondContact O-CD2 3.18Å; S98-Y102 WeakPolarHBondContact O-CE1 3.32Å; S98-Y102 PolarHBondContact O-N 2.85Å; A99-Y102 PolarHBondContact O-N 3.28Å; Y100-Y102 VanDerWaalsContact C-N 3.32Å; Y100-Y102 PolarHBondContact O-N 3.42Å; Y102-T106 PolarHBondContact O-N 3.35Å; Y102-T106 PolarHBondContact O-OG1 2.72Å; Y102-V425 HydrophobicContact CD2-CG1 4.2Å; Y102-V425 HydrophobicContact CD2-CG2 4.09Å |
| 103 | T | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.4 | -35.2 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | A99 Y100 L101 V105 T106 V107 G108 W111 T115 | A99-T103 WeakPolarHBondContact O-CB 3.48Å; A99-T103 PolarHBondContact O-N 3.23Å; A99-T103 PolarHBondContact O-OG1 3.45Å; Y100-T103 PolarHBondContact O-N 3.2Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 2.99Å; T103-V105 PolarHBondContact O-N 2.85Å; T103-T106 PolarHBondContact O-N 3.47Å; T103-V107 HydrophobicContact CG2-CB 3.89Å; T103-V107 HydrophobicContact CG2-CG2 4.06Å; T103-V107 WeakPolarHBondContact O-CA 3.38Å; T103-V107 PolarHBondContact O-N 3.26Å; T103-G108 PolarHBondContact O-N 3.05Å; T103-G108 VanDerWaalsContact O-N 3.07Å; T103-W111 VanDerWaalsContact CG2-C 3.44Å; T103-W111 HydrophobicContact CG2-CB 3.56Å; T103-T115 PolarHBondContact OG1-OG1 3.2Å |
| 104 | Y | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 179.6 | -153.4 | 169.9 | 0 | 0 | 0 | 112.6 | R17 K18 Y100 L101 E109 A112 D370 L372 | R17-Y104 WeakPolarHBondContact CA-O 3.45Å; K18-Y104 HydrophobicContact CB-CD1 4.03Å; K18-Y104 HydrophobicContact CB-CD2 3.9Å; K18-Y104 HydrophobicContact CB-CE1 4.34Å; K18-Y104 HydrophobicContact CB-CE2 4.21Å; K18-Y104 HydrophobicContact CB-CG 3.81Å; K18-Y104 HydrophobicContact CD-CD1 4.07Å; K18-Y104 HydrophobicContact CD-CE1 4.31Å; K18-Y104 PolarHBondContact N-O 2.68Å; Y100-Y104 HydrophobicContact CE1-CD1 4.31Å; Y100-Y104 HydrophobicContact CE2-CD1 4.2Å; Y100-Y104 AromaticContact CZ-CD1 3.7Å; Y100-Y104 PolarHBondContact O-N 3.44Å; Y100-Y104 VanDerWaalsContact OH-CD1 3.3Å; Y100-Y104 WeakPolarHBondContact OH-CD1 3.35Å; Y100-Y104 VanDerWaalsContact OH-CE1 3.29Å; Y100-Y104 WeakPolarHBondContact OH-CE1 3.45Å; L101-Y104 PolarHBondContact O-N 3.44Å; L101-Y104 VanDerWaalsContact O-N 3.16Å; Y104-E109 HydrophobicContact CD2-CB 4.35Å; Y104-E109 HydrophobicContact CE2-CB 3.64Å; Y104-E109 HydrophobicContact CE2-CG 3.9Å; Y104-E109 PolarHBondContact OH-OE2 3.13Å; Y104-A112 VanDerWaalsContact CB-CB 3.47Å; Y104-A112 HydrophobicContact CD1-CB 4.17Å; Y104-A112 HydrophobicContact CD2-CB 4.08Å; Y104-A112 HydrophobicContact CG-CB 3.66Å; Y104-D370 HydrophobicContact CE1-CB 4.11Å; Y104-L372 HydrophobicContact CE1-CD1 4.16Å |
| 105 | V | 87.2 | Confident | 89.5 | Confident | 24 Ų | 24 | 12.5 Ų | 12.5 | 15% | 0.145 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -72.3 | -35.5 | 178.8 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | K18 V20 L101 T103 | K18-V105 HydrophobicContact CB-CG2 4.44Å; V20-V105 HydrophobicContact CG2-CG2 3.68Å; L101-V105 HydrophobicContact CD1-CG2 4.18Å; L101-V105 HydrophobicContact CG-CG2 4.48Å; L101-V105 WeakPolarHBondContact O-CG2 3.37Å; L101-V105 PolarHBondContact O-N 2.83Å; T103-V105 PolarHBondContact O-N 2.85Å |
| 106 | T | 86.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -99.7 | -43.6 | -170.1 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | R17 F89 Y102 T103 C428 L432 | R17-T106 PolarHBondContact NE-O 3.18Å; R17-T106 PolarHBondContact NH1-O 3.32Å; R17-T106 PolarHBondContact NH2-O 2.81Å; F89-T106 HydrophobicContact CE2-CG2 3.82Å; F89-T106 HydrophobicContact CZ-CG2 3.7Å; Y102-T106 PolarHBondContact O-N 3.35Å; Y102-T106 PolarHBondContact O-OG1 2.72Å; T103-T106 PolarHBondContact O-N 3.47Å; T106-C428 HydrophobicContact CG2-CB 4.26Å; T106-C428 WeakPolarHBondContact OG1-CB 3.45Å; T106-C428 PolarHBondContact OG1-SG 3.46Å; T106-L432 HydrophobicContact CG2-CB 4.09Å; T106-L432 HydrophobicContact CG2-CD1 4.03Å |
| 107 | V | 88.3 | Confident | 90.6 | Very high | 33 Ų | 33 | 12 Ų | 12 | 20% | 0.2 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -59.3 | -172.4 | -175 | 0 | 0 | 0 | 0 | 110 | R17 T103 W111 I431 | R17-V107 PolarHBondContact NE-O 3.02Å; T103-V107 HydrophobicContact CG2-CB 3.89Å; T103-V107 HydrophobicContact CG2-CG2 4.06Å; T103-V107 WeakPolarHBondContact O-CA 3.38Å; T103-V107 PolarHBondContact O-N 3.26Å; V107-W111 HydrophobicContact CB-CB 4.22Å; V107-W111 HydrophobicContact CG1-CB 3.73Å; V107-W111 VanDerWaalsContact CG1-CD1 3.46Å; V107-W111 HydrophobicContact CG1-CG 3.64Å; V107-I431 HydrophobicContact CG2-CD1 4.32Å |
| 108 | G | 89.2 | Confident | 91.5 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | trans | 145.6 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R16 T103 W111 A112 | R16-G108 CarbonylContact O-C 3.35Å; R16-G108 WeakPolarHBondContact O-CA 3.32Å; T103-G108 PolarHBondContact O-N 3.05Å; T103-G108 VanDerWaalsContact O-N 3.07Å; G108-W111 PolarHBondContact O-N 3.32Å; G108-A112 WeakPolarHBondContact O-CB 3.16Å; G108-A112 PolarHBondContact O-N 3.29Å | ||
| 109 | E | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | -167.5 | -170.3 | -178.5 | 112.8 | 0 | 0 | 114 | R16 Y104 W111 A112 F113 L372 Y598 S606 | R16-E109 HydrophobicContact CB-CB 4.2Å; R16-E109 PolarHBondContact O-N 3.19Å; Y104-E109 HydrophobicContact CD2-CB 4.35Å; Y104-E109 HydrophobicContact CE2-CB 3.64Å; Y104-E109 HydrophobicContact CE2-CG 3.9Å; Y104-E109 PolarHBondContact OH-OE2 3.13Å; E109-W111 PolarHBondContact O-N 3.11Å; E109-A112 WeakPolarHBondContact O-CB 3.48Å; E109-A112 PolarHBondContact O-N 3.1Å; E109-F113 PolarHBondContact O-N 3.14Å; E109-L372 HydrophobicContact CG-CD1 4.26Å; E109-L372 HydrophobicContact CG-CD2 3.79Å; E109-Y598 HydrophobicContact CG-CE2 4.33Å; E109-Y598 PolarHBondContact OE1-OH 3.09Å; E109-S606 WeakPolarHBondContact OE2-CB 3.38Å; E109-S606 PolarHBondContact OE2-OG 3.44Å |
| 110 | L | 91.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 12.7 Ų | 12.7 | 18% | 0.178 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | -178.3 | 177.2 | 64.6 | 0 | 0 | 0 | 111.3 | L14 A112 F113 I114 F595 Y598 | L14-L110 HydrophobicContact CB-CB 4.15Å; L14-L110 HydrophobicContact CB-CD2 4.43Å; L14-L110 HydrophobicContact CD1-CD2 4.4Å; L14-L110 HydrophobicContact CD2-CB 4.32Å; L14-L110 HydrophobicContact CD2-CD1 4.38Å; L14-L110 HydrophobicContact CD2-CD2 4.39Å; L14-L110 WeakPolarHBondContact O-CB 3.37Å; L14-L110 PolarHBondContact O-N 3.14Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-F113 PolarHBondContact O-N 3.06Å; L110-I114 HydrophobicContact CD1-CD1 4.32Å; L110-I114 HydrophobicContact CG-CD1 4.08Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.16Å; L110-I114 PolarHBondContact O-N 3.08Å; L110-F595 HydrophobicContact CD1-CE1 4.15Å; L110-Y598 HydrophobicContact CD1-CD1 4.08Å; L110-Y598 HydrophobicContact CD1-CE1 3.74Å |
| 111 | W | 91.9 | Very high | 91.7 | Very high | 119 Ų | 119 | 12.8 Ų | 12.8 | 45% | 0.451 | 6% | 0.06 | S | C | . | . | H | α-helix | trans | -68.8 | -33.9 | 178 | -74.5 | 103.3 | 0 | 0 | 0 | 111.8 | T103 V107 G108 E109 I114 T115 M420 L424 | T103-W111 VanDerWaalsContact CG2-C 3.44Å; T103-W111 HydrophobicContact CG2-CB 3.56Å; V107-W111 HydrophobicContact CB-CB 4.22Å; V107-W111 HydrophobicContact CG1-CB 3.73Å; V107-W111 VanDerWaalsContact CG1-CD1 3.46Å; V107-W111 HydrophobicContact CG1-CG 3.64Å; G108-W111 PolarHBondContact O-N 3.32Å; E109-W111 PolarHBondContact O-N 3.11Å; W111-I114 HydrophobicContact CE3-CD1 4.33Å; W111-T115 WeakPolarHBondContact O-CB 3.29Å; W111-T115 PolarHBondContact O-N 3.49Å; W111-T115 PolarHBondContact O-OG1 3.37Å; W111-M420 HydrophobicContact CZ3-CE 4.32Å; W111-L424 HydrophobicContact CE3-CD1 4.38Å; W111-L424 HydrophobicContact CE3-CD2 4.03Å; W111-L424 HydrophobicContact CZ3-CD2 4.32Å |
| 112 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.5 | -52.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y100 Y104 G108 E109 L110 I114 T115 G116 | Y100-A112 HydrophobicContact CD2-CB 3.98Å; Y100-A112 VanDerWaalsContact CD2-O 3.28Å; Y100-A112 WeakPolarHBondContact CD2-O 3.09Å; Y100-A112 HydrophobicContact CE2-CB 3.81Å; Y104-A112 VanDerWaalsContact CB-CB 3.47Å; Y104-A112 HydrophobicContact CD1-CB 4.17Å; Y104-A112 HydrophobicContact CD2-CB 4.08Å; Y104-A112 HydrophobicContact CG-CB 3.66Å; G108-A112 WeakPolarHBondContact O-CB 3.16Å; G108-A112 PolarHBondContact O-N 3.29Å; E109-A112 WeakPolarHBondContact O-CB 3.48Å; E109-A112 PolarHBondContact O-N 3.1Å; L110-A112 VanDerWaalsContact C-N 3.32Å; A112-I114 VanDerWaalsContact C-N 3.34Å; A112-I114 PolarHBondContact O-N 3.39Å; A112-T115 CarbonylContact O-C 3.55Å; A112-T115 WeakPolarHBondContact O-CA 3.31Å; A112-T115 WeakPolarHBondContact O-CB 3.3Å; A112-T115 PolarHBondContact O-N 3.4Å; A112-G116 PolarHBondContact O-N 3.21Å |
| 113 | F | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -54.3 | -49.5 | 177.7 | 179 | -92.5 | 0 | 0 | 0 | 111.7 | E109 L110 T115 G116 W117 M367 L372 L373 G594 Y598 | E109-F113 PolarHBondContact O-N 3.14Å; L110-F113 PolarHBondContact O-N 3.06Å; F113-T115 VanDerWaalsContact C-N 3.31Å; F113-T115 PolarHBondContact O-N 3.45Å; F113-G116 PolarHBondContact O-N 3.43Å; F113-W117 HydrophobicContact CE1-CB 4.14Å; F113-W117 HydrophobicContact CE1-CG 4.3Å; F113-W117 HydrophobicContact CZ-CB 4.3Å; F113-W117 HydrophobicContact CZ-CD2 4.36Å; F113-W117 HydrophobicContact CZ-CE3 4.38Å; F113-W117 HydrophobicContact CZ-CG 4.33Å; F113-W117 VanDerWaalsContact O-CB 3.23Å; F113-W117 WeakPolarHBondContact O-CB 3.41Å; F113-W117 PolarHBondContact O-N 3.03Å; F113-M367 HydrophobicContact CD2-CE 3.63Å; F113-M367 HydrophobicContact CE2-CE 3.89Å; F113-M367 HydrophobicContact CG-CE 4.42Å; F113-L372 HydrophobicContact CB-CD1 4.43Å; F113-L372 HydrophobicContact CD2-CB 4.25Å; F113-L373 HydrophobicContact CE2-CD2 4.26Å; F113-G594 VanDerWaalsContact CE1-O 3.28Å; F113-G594 WeakPolarHBondContact CE1-O 3.35Å; F113-G594 WeakPolarHBondContact CZ-O 3.49Å; F113-Y598 HydrophobicContact CB-CD2 3.92Å; F113-Y598 HydrophobicContact CB-CE2 4.12Å; F113-Y598 HydrophobicContact CD1-CD2 4.08Å; F113-Y598 AromaticContact CD1-CG 3.99Å; F113-Y598 HydrophobicContact CD1-CG 3.99Å; F113-Y598 AromaticContact CD2-CD2 3.62Å; F113-Y598 HydrophobicContact CD2-CD2 3.62Å; F113-Y598 HydrophobicContact CD2-CE2 4.49Å; F113-Y598 HydrophobicContact CD2-CG 4.22Å; F113-Y598 HydrophobicContact CE1-CG 4.3Å; F113-Y598 HydrophobicContact CE2-CD2 4.19Å; F113-Y598 HydrophobicContact CE2-CG 4.5Å; F113-Y598 AromaticContact CG-CD2 3.56Å; F113-Y598 HydrophobicContact CG-CD2 3.56Å; F113-Y598 HydrophobicContact CG-CE2 4.27Å; F113-Y598 AromaticContact CG-CG 3.96Å; F113-Y598 HydrophobicContact CG-CG 3.96Å |
| 114 | I | 94.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 13.1 Ų | 13.1 | 7% | 0.072 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 177.2 | -67.5 | 166.7 | 0 | 0 | 0 | 110.7 | L110 W111 A112 N118 M420 M591 F595 | L110-I114 HydrophobicContact CD1-CD1 4.32Å; L110-I114 HydrophobicContact CG-CD1 4.08Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.16Å; L110-I114 PolarHBondContact O-N 3.08Å; W111-I114 HydrophobicContact CE3-CD1 4.33Å; A112-I114 VanDerWaalsContact C-N 3.34Å; A112-I114 PolarHBondContact O-N 3.39Å; I114-N118 WeakPolarHBondContact O-CB 3.42Å; I114-N118 PolarHBondContact O-N 3.38Å; I114-N118 PolarHBondContact O-ND2 3.21Å; I114-M420 HydrophobicContact CG2-CE 3.24Å; I114-M420 HydrophobicContact CG2-SD 4.49Å; I114-M591 HydrophobicContact CB-CE 4.33Å; I114-M591 HydrophobicContact CG1-CE 4.02Å; I114-M591 HydrophobicContact CG2-CE 3.84Å; I114-F595 HydrophobicContact CD1-CE1 3.94Å; I114-F595 HydrophobicContact CD1-CZ 3.92Å; I114-F595 HydrophobicContact CG1-CE1 3.73Å; I114-F595 HydrophobicContact CG1-CZ 3.91Å |
| 115 | T | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 178.4 | -52 | 0 | 0 | 0 | 0 | 111.6 | A99 T103 W111 A112 F113 N118 L119 A421 L424 | A99-T115 HydrophobicContact CB-CG2 3.61Å; T103-T115 PolarHBondContact OG1-OG1 3.2Å; W111-T115 WeakPolarHBondContact O-CB 3.29Å; W111-T115 PolarHBondContact O-N 3.49Å; W111-T115 PolarHBondContact O-OG1 3.37Å; A112-T115 CarbonylContact O-C 3.55Å; A112-T115 WeakPolarHBondContact O-CA 3.31Å; A112-T115 WeakPolarHBondContact O-CB 3.3Å; A112-T115 PolarHBondContact O-N 3.4Å; F113-T115 VanDerWaalsContact C-N 3.31Å; F113-T115 PolarHBondContact O-N 3.45Å; T115-N118 PolarHBondContact O-N 2.74Å; T115-L119 WeakPolarHBondContact O-CG 3.28Å; T115-L119 PolarHBondContact O-N 3.33Å; T115-A421 HydrophobicContact CG2-CB 4.45Å; T115-L424 VanDerWaalsContact OG1-CD1 3.24Å; T115-L424 WeakPolarHBondContact OG1-CD1 3.41Å |
| 116 | G | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A112 F113 N118 L119 I120 M367 | A112-G116 PolarHBondContact O-N 3.21Å; F113-G116 PolarHBondContact O-N 3.43Å; G116-N118 VanDerWaalsContact C-N 3.29Å; G116-N118 PolarHBondContact O-N 3.16Å; G116-L119 PolarHBondContact O-N 2.9Å; G116-I120 WeakPolarHBondContact O-CG1 3.23Å; G116-I120 PolarHBondContact O-N 3.27Å; G116-M367 VanDerWaalsContact C-SD 3.57Å |
| 117 | W | 94.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 12 Ų | 12 | 8% | 0.076 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 175.3 | -170.2 | -112.9 | 0 | 0 | 0 | 112.3 | F113 I120 L121 L373 W590 I593 I597 | F113-W117 HydrophobicContact CE1-CB 4.14Å; F113-W117 HydrophobicContact CE1-CG 4.3Å; F113-W117 HydrophobicContact CZ-CB 4.3Å; F113-W117 HydrophobicContact CZ-CD2 4.36Å; F113-W117 HydrophobicContact CZ-CE3 4.38Å; F113-W117 HydrophobicContact CZ-CG 4.33Å; F113-W117 VanDerWaalsContact O-CB 3.23Å; F113-W117 WeakPolarHBondContact O-CB 3.41Å; F113-W117 PolarHBondContact O-N 3.03Å; W117-I120 HydrophobicContact CE3-CD1 4.3Å; W117-L121 PolarHBondContact O-N 3.5Å; W117-L121 VanDerWaalsContact O-N 3.1Å; W117-L373 HydrophobicContact CZ3-CD2 4.45Å; W117-W590 AromaticContact CD1-CD1 3.53Å; W117-W590 AromaticContact CD1-NE1 3.21Å; W117-W590 HydrophobicContact CD2-CZ2 4.24Å; W117-W590 AromaticContact CD2-NE1 3.87Å; W117-W590 AromaticContact CE2-CE2 3.42Å; W117-W590 VanDerWaalsContact CE2-CE2 3.42Å; W117-W590 AromaticContact CE2-CZ2 3.67Å; W117-W590 AromaticContact CE2-NE1 3.32Å; W117-W590 VanDerWaalsContact CE2-NE1 3.32Å; W117-W590 AromaticContact CG-NE1 3.8Å; W117-W590 HydrophobicContact CH2-CH2 4.1Å; W117-W590 AromaticContact CH2-CZ2 3.85Å; W117-W590 HydrophobicContact CH2-CZ2 3.85Å; W117-W590 HydrophobicContact CZ2-CD2 4.09Å; W117-W590 AromaticContact CZ2-CE2 3.54Å; W117-W590 HydrophobicContact CZ2-CE3 4.44Å; W117-W590 AromaticContact CZ2-CH2 3.89Å; W117-W590 HydrophobicContact CZ2-CH2 3.89Å; W117-W590 AromaticContact CZ2-CZ2 3.46Å; W117-W590 HydrophobicContact CZ2-CZ2 3.46Å; W117-W590 VanDerWaalsContact CZ2-CZ2 3.46Å; W117-W590 HydrophobicContact CZ2-CZ3 4.36Å; W117-W590 AromaticContact CZ2-NE1 3.95Å; W117-W590 HydrophobicContact CZ3-CZ2 4.39Å; W117-W590 AromaticContact NE1-CD1 3.2Å; W117-W590 AromaticContact NE1-CD2 3.93Å; W117-W590 AromaticContact NE1-CE2 3.43Å; W117-W590 AromaticContact NE1-CG 3.83Å; W117-W590 AromaticContact NE1-NE1 2.89Å; W117-W590 PolarHBondContact NE1-O 3.47Å; W117-W590 PolarHBondContact O-NE1 3.19Å; W117-I593 HydrophobicContact CH2-CG2 4.45Å; W117-I593 HydrophobicContact CZ2-CB 4.38Å; W117-I593 HydrophobicContact CZ2-CG2 3.97Å; W117-I597 HydrophobicContact CH2-CD1 3.72Å; W117-I597 HydrophobicContact CZ2-CD1 4.34Å; W117-I597 HydrophobicContact CZ3-CD1 4.17Å |
| 118 | N | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -72 | -36.3 | 173.2 | -73.3 | -19.3 | 0 | 0 | 0 | 113.1 | I114 T115 G116 L121 S122 M420 F587 M591 | I114-N118 WeakPolarHBondContact O-CB 3.42Å; I114-N118 PolarHBondContact O-N 3.38Å; I114-N118 PolarHBondContact O-ND2 3.21Å; T115-N118 PolarHBondContact O-N 2.74Å; G116-N118 VanDerWaalsContact C-N 3.29Å; G116-N118 PolarHBondContact O-N 3.16Å; N118-L121 WeakPolarHBondContact O-CB 3.32Å; N118-L121 PolarHBondContact O-N 3.04Å; N118-S122 WeakPolarHBondContact O-CB 3.18Å; N118-S122 PolarHBondContact O-N 3.44Å; N118-M420 PolarHBondContact ND2-SD 2.84Å; N118-F587 VanDerWaalsContact OD1-CE2 3.29Å; N118-F587 WeakPolarHBondContact OD1-CE2 3.38Å; N118-F587 WeakPolarHBondContact OD1-CZ 3.49Å; N118-M591 PolarHBondContact OD1-SD 3.48Å |
| 119 | L | 92.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.021 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 172.9 | -75.5 | -179.1 | 0 | 0 | 0 | 111.4 | A99 T115 G116 L121 S122 Y123 V363 A421 | A99-L119 HydrophobicContact CB-CD1 3.96Å; T115-L119 WeakPolarHBondContact O-CG 3.28Å; T115-L119 PolarHBondContact O-N 3.33Å; G116-L119 PolarHBondContact O-N 2.9Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 2.92Å; L119-S122 PolarHBondContact O-N 2.6Å; L119-Y123 HydrophobicContact CB-CE2 4.29Å; L119-Y123 WeakPolarHBondContact O-CD2 3.47Å; L119-Y123 PolarHBondContact O-N 3.32Å; L119-V363 HydrophobicContact CB-CG1 4.25Å; L119-V363 HydrophobicContact CD1-CG1 4.47Å; L119-V363 HydrophobicContact CD1-CG2 4.33Å; L119-A421 HydrophobicContact CD2-CB 4.1Å |
| 120 | I | 93.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 10.5 Ų | 10.5 | 6% | 0.056 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 174.8 | -67.6 | 166 | 0 | 0 | 0 | 109.8 | G116 W117 S122 Y123 V124 V363 I364 M367 L373 W590 | G116-I120 WeakPolarHBondContact O-CG1 3.23Å; G116-I120 PolarHBondContact O-N 3.27Å; W117-I120 HydrophobicContact CE3-CD1 4.3Å; I120-S122 PolarHBondContact O-N 2.61Å; I120-Y123 PolarHBondContact O-N 3.22Å; I120-V124 HydrophobicContact CG2-CG2 4.25Å; I120-V124 WeakPolarHBondContact O-CB 3.4Å; I120-V124 WeakPolarHBondContact O-CG2 3.4Å; I120-V124 PolarHBondContact O-N 3.27Å; I120-V363 HydrophobicContact CG1-CG1 4.08Å; I120-I364 HydrophobicContact CD1-CG1 3.72Å; I120-I364 HydrophobicContact CG1-CG1 3.79Å; I120-I364 HydrophobicContact CG2-CD1 4.47Å; I120-M367 HydrophobicContact CD1-SD 3.64Å; I120-L373 HydrophobicContact CD1-CD1 3.93Å; I120-W590 HydrophobicContact CG2-CZ2 4.38Å |
| 121 | L | 90.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -55.2 | -52.1 | 174.7 | -175.6 | 59.9 | 0 | 0 | 0 | 111.6 | W117 N118 L119 Y123 V124 I125 M413 F587 W590 | W117-L121 PolarHBondContact O-N 3.5Å; W117-L121 VanDerWaalsContact O-N 3.1Å; N118-L121 WeakPolarHBondContact O-CB 3.32Å; N118-L121 PolarHBondContact O-N 3.04Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 2.92Å; L121-Y123 VanDerWaalsContact C-N 3.34Å; L121-Y123 PolarHBondContact O-N 2.96Å; L121-V124 PolarHBondContact O-N 2.82Å; L121-I125 HydrophobicContact CD1-CD1 3.52Å; L121-I125 HydrophobicContact CD1-CG1 3.9Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.49Å; L121-I125 VanDerWaalsContact CG-CD1 3.49Å; L121-I125 HydrophobicContact CG-CG1 4.24Å; L121-I125 WeakPolarHBondContact O-CB 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.47Å; L121-I125 PolarHBondContact O-N 3.46Å; L121-M413 HydrophobicContact CD1-CE 4.2Å; L121-M413 HydrophobicContact CD2-CG 4.46Å; L121-F587 HydrophobicContact CD2-CD2 3.96Å; L121-F587 HydrophobicContact CD2-CE2 4.27Å; L121-W590 HydrophobicContact CB-CD2 4.45Å; L121-W590 HydrophobicContact CB-CZ2 4.16Å; L121-W590 HydrophobicContact CD1-CD2 3.57Å; L121-W590 HydrophobicContact CD1-CE3 3.98Å; L121-W590 HydrophobicContact CD1-CG 3.79Å; L121-W590 HydrophobicContact CD1-CZ2 4.15Å; L121-W590 HydrophobicContact CD1-CZ3 4.43Å; L121-W590 HydrophobicContact CD2-CB 4.3Å; L121-W590 HydrophobicContact CD2-CD2 4.47Å; L121-W590 HydrophobicContact CD2-CG 3.85Å; L121-W590 HydrophobicContact CG-CD2 4.34Å; L121-W590 HydrophobicContact CG-CG 4.22Å |
| 122 | S | 90.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 4.2 Ų | 4.2 | 2% | 0.021 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | -176.1 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | N118 L119 I120 G126 M414 T418 | N118-S122 WeakPolarHBondContact O-CB 3.18Å; N118-S122 PolarHBondContact O-N 3.44Å; L119-S122 PolarHBondContact O-N 2.6Å; I120-S122 PolarHBondContact O-N 2.61Å; S122-G126 PolarHBondContact O-N 3.38Å; S122-M414 WeakPolarHBondContact O-CE 3.07Å; S122-M414 WeakPolarHBondContact OG-CE 3.24Å; S122-M414 WeakPolarHBondContact OG-CG 3.12Å; S122-T418 PolarHBondContact OG-OG1 3.47Å |
| 123 | Y | 92.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 4.5 Ų | 4.5 | 3% | 0.031 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -69.7 | -38 | 178.4 | -63.4 | -50.9 | 0 | 0 | 0 | 113.3 | L119 I120 L121 I125 G126 T127 D272 P359 M360 V363 | L119-Y123 HydrophobicContact CB-CE2 4.29Å; L119-Y123 WeakPolarHBondContact O-CD2 3.47Å; L119-Y123 PolarHBondContact O-N 3.32Å; I120-Y123 PolarHBondContact O-N 3.22Å; L121-Y123 VanDerWaalsContact C-N 3.34Å; L121-Y123 PolarHBondContact O-N 2.96Å; Y123-I125 VanDerWaalsContact C-N 3.33Å; Y123-G126 PolarHBondContact O-N 3.47Å; Y123-T127 WeakPolarHBondContact O-CB 3.42Å; Y123-T127 PolarHBondContact O-N 3.23Å; Y123-T127 PolarHBondContact O-OG1 3.45Å; Y123-D272 WeakPolarHBondContact CE1-OD2 3.37Å; Y123-D272 PolarHBondContact OH-OD2 3.05Å; Y123-P359 HydrophobicContact CD1-CG 3.62Å; Y123-P359 HydrophobicContact CD2-CB 4.4Å; Y123-P359 HydrophobicContact CD2-CG 4.19Å; Y123-P359 HydrophobicContact CE1-CB 4.06Å; Y123-P359 HydrophobicContact CE1-CG 3.37Å; Y123-P359 HydrophobicContact CE2-CB 3.83Å; Y123-P359 HydrophobicContact CE2-CG 3.92Å; Y123-P359 HydrophobicContact CG-CG 4.05Å; Y123-M360 HydrophobicContact CD2-CB 4.34Å; Y123-M360 HydrophobicContact CG-CB 4.32Å; Y123-M360 WeakPolarHBondContact O-CE 3.43Å; Y123-V363 HydrophobicContact CE2-CG2 4.02Å |
| 124 | V | 93.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.018 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 177.7 | 162.9 | 0 | 0 | 0 | 0 | 109.8 | I120 L121 S128 M360 V397 A398 M401 | I120-V124 HydrophobicContact CG2-CG2 4.25Å; I120-V124 WeakPolarHBondContact O-CB 3.4Å; I120-V124 WeakPolarHBondContact O-CG2 3.4Å; I120-V124 PolarHBondContact O-N 3.27Å; L121-V124 PolarHBondContact O-N 2.82Å; V124-S128 WeakPolarHBondContact O-CB 3.35Å; V124-S128 PolarHBondContact O-N 3.4Å; V124-S128 PolarHBondContact O-OG 3.15Å; V124-M360 HydrophobicContact CB-CE 4.47Å; V124-M360 HydrophobicContact CG2-CE 4.04Å; V124-M360 HydrophobicContact CG2-CG 4.49Å; V124-M360 HydrophobicContact CG2-SD 3.73Å; V124-V397 HydrophobicContact CG1-CG1 3.88Å; V124-A398 HydrophobicContact CG1-CB 4.2Å; V124-M401 HydrophobicContact CG1-CG 4Å |
| 125 | I | 90.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 176.8 | -64.8 | 170.3 | 0 | 0 | 0 | 110.9 | L121 Y123 T127 S128 S129 L410 M413 M414 | L121-I125 HydrophobicContact CD1-CD1 3.52Å; L121-I125 HydrophobicContact CD1-CG1 3.9Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.49Å; L121-I125 VanDerWaalsContact CG-CD1 3.49Å; L121-I125 HydrophobicContact CG-CG1 4.24Å; L121-I125 WeakPolarHBondContact O-CB 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.47Å; L121-I125 PolarHBondContact O-N 3.46Å; Y123-I125 VanDerWaalsContact C-N 3.33Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 2.91Å; I125-S128 CarbonylContact O-C 3.02Å; I125-S128 WeakPolarHBondContact O-CA 3.3Å; I125-S128 WeakPolarHBondContact O-CB 3.39Å; I125-S128 PolarHBondContact O-N 2.99Å; I125-S129 WeakPolarHBondContact O-CB 3.23Å; I125-S129 PolarHBondContact O-N 3.14Å; I125-S129 PolarHBondContact O-OG 2.98Å; I125-L410 VanDerWaalsContact CG2-C 3.5Å; I125-L410 HydrophobicContact CG2-CB 3.75Å; I125-L410 HydrophobicContact CG2-CD2 4Å; I125-L410 HydrophobicContact CG2-CG 4.5Å; I125-L410 WeakPolarHBondContact CG2-O 3.45Å; I125-M413 HydrophobicContact CD1-CB 3.82Å; I125-M413 HydrophobicContact CD1-CE 3.19Å; I125-M413 HydrophobicContact CD1-CG 3.52Å; I125-M413 HydrophobicContact CD1-SD 4.06Å; I125-M413 HydrophobicContact CG1-CE 3.44Å; I125-M413 VanDerWaalsContact CG1-CE 3.44Å; I125-M414 HydrophobicContact CB-CB 4.26Å; I125-M414 HydrophobicContact CG2-CB 3.74Å; I125-M414 HydrophobicContact CG2-CG 4.4Å |
| 126 | G | 90.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -58.6 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | S122 Y123 S129 V130 | S122-G126 PolarHBondContact O-N 3.38Å; Y123-G126 PolarHBondContact O-N 3.47Å; G126-S129 WeakPolarHBondContact CA-OG 3.49Å; G126-S129 PolarHBondContact O-OG 3.22Å; G126-V130 WeakPolarHBondContact O-CB 3.37Å; G126-V130 WeakPolarHBondContact O-CG2 3.25Å; G126-V130 PolarHBondContact O-N 2.8Å |
| 127 | T | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 171.9 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | Y123 I125 A131 I173 L353 I357 M360 A398 | Y123-T127 WeakPolarHBondContact O-CB 3.42Å; Y123-T127 PolarHBondContact O-N 3.23Å; Y123-T127 PolarHBondContact O-OG1 3.45Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 2.91Å; T127-A131 VanDerWaalsContact O-CB 3.31Å; T127-A131 WeakPolarHBondContact O-CB 3.45Å; T127-A131 PolarHBondContact O-N 3.21Å; T127-I173 HydrophobicContact CG2-CD1 4.29Å; T127-I173 HydrophobicContact CG2-CG1 4.07Å; T127-I173 HydrophobicContact CG2-CG2 4.04Å; T127-L353 HydrophobicContact CG2-CD1 3.71Å; T127-L353 WeakPolarHBondContact O-CD1 3.41Å; T127-I357 HydrophobicContact CG2-CD1 3.76Å; T127-I357 HydrophobicContact CG2-CG1 3.36Å; T127-I357 WeakPolarHBondContact OG1-CG1 3.29Å; T127-M360 WeakPolarHBondContact OG1-CE 3.14Å; T127-A398 HydrophobicContact CG2-CB 3.63Å |
| 128 | S | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | -177.7 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | V124 I125 A131 R132 A398 M401 | V124-S128 WeakPolarHBondContact O-CB 3.35Å; V124-S128 PolarHBondContact O-N 3.4Å; V124-S128 PolarHBondContact O-OG 3.15Å; I125-S128 CarbonylContact O-C 3.02Å; I125-S128 WeakPolarHBondContact O-CA 3.3Å; I125-S128 WeakPolarHBondContact O-CB 3.39Å; I125-S128 PolarHBondContact O-N 2.99Å; S128-A131 PolarHBondContact O-N 3.3Å; S128-R132 WeakPolarHBondContact O-CB 3.45Å; S128-R132 WeakPolarHBondContact O-CG 3.46Å; S128-R132 PolarHBondContact O-N 3.39Å; S128-A398 WeakPolarHBondContact OG-CA 3.42Å; S128-A398 PolarHBondContact OG-O 3.36Å; S128-M401 WeakPolarHBondContact OG-CB 3.47Å |
| 129 | S | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | -179.8 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | I125 G126 A131 R132 A133 Y266 L407 | I125-S129 WeakPolarHBondContact O-CB 3.23Å; I125-S129 PolarHBondContact O-N 3.14Å; I125-S129 PolarHBondContact O-OG 2.98Å; G126-S129 WeakPolarHBondContact CA-OG 3.49Å; G126-S129 PolarHBondContact O-OG 3.22Å; S129-A131 VanDerWaalsContact C-N 3.35Å; S129-A131 PolarHBondContact O-N 2.96Å; S129-R132 PolarHBondContact O-N 3.19Å; S129-A133 WeakPolarHBondContact O-CB 3.44Å; S129-A133 PolarHBondContact O-N 3.11Å; S129-Y266 PolarHBondContact OG-OH 2.85Å; S129-L407 VanDerWaalsContact O-CD1 3.23Å; S129-L407 WeakPolarHBondContact O-CD1 3.27Å |
| 130 | V | 91.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111 | A50 G126 A133 W134 L349 L353 | A50-V130 HydrophobicContact CB-CG2 4.49Å; G126-V130 WeakPolarHBondContact O-CB 3.37Å; G126-V130 WeakPolarHBondContact O-CG2 3.25Å; G126-V130 PolarHBondContact O-N 2.8Å; V130-A133 PolarHBondContact O-N 3.29Å; V130-W134 WeakPolarHBondContact O-CB 3.49Å; V130-W134 PolarHBondContact O-N 3.32Å; V130-L349 HydrophobicContact CG1-CB 4.4Å; V130-L349 HydrophobicContact CG1-CD2 4.12Å; V130-L349 VanDerWaalsContact CG1-O 3.24Å; V130-L349 WeakPolarHBondContact CG1-O 3.18Å; V130-L353 HydrophobicContact CB-CD1 4.36Å; V130-L353 HydrophobicContact CG1-CB 3.88Å |
| 131 | A | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T127 S128 S129 W134 S135 A169 I173 L353 | T127-A131 VanDerWaalsContact O-CB 3.31Å; T127-A131 WeakPolarHBondContact O-CB 3.45Å; T127-A131 PolarHBondContact O-N 3.21Å; S128-A131 PolarHBondContact O-N 3.3Å; S129-A131 VanDerWaalsContact C-N 3.35Å; S129-A131 PolarHBondContact O-N 2.96Å; A131-W134 WeakPolarHBondContact O-CB 3.44Å; A131-W134 PolarHBondContact O-N 3.2Å; A131-S135 PolarHBondContact O-N 3.48Å; A131-A169 HydrophobicContact CB-CB 4.1Å; A131-I173 HydrophobicContact CB-CD1 3.61Å; A131-I173 HydrophobicContact CB-CG1 3.56Å; A131-L353 HydrophobicContact CB-CD1 4.17Å; A131-L353 HydrophobicContact CB-CD2 4.09Å |
| 132 | R | 88.8 | Confident | 89.3 | Confident | 21 Ų | 21 | 16.9 Ų | 16.9 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 172.8 | -76.8 | -77.6 | -72.2 | 163.9 | -5.1 | 111.9 | S128 S129 W134 S135 G136 D166 A402 D406 L410 | S128-R132 WeakPolarHBondContact O-CB 3.45Å; S128-R132 WeakPolarHBondContact O-CG 3.46Å; S128-R132 PolarHBondContact O-N 3.39Å; S129-R132 PolarHBondContact O-N 3.19Å; R132-W134 VanDerWaalsContact C-N 3.31Å; R132-W134 PolarHBondContact O-N 3.06Å; R132-S135 PolarHBondContact O-N 3.11Å; R132-G136 PolarHBondContact O-N 3.4Å; R132-D166 WeakPolarHBondContact CD-OD2 3.5Å; R132-D166 IonicContact CZ-OD2 3.46Å; R132-D166 IonicContact NH1-OD2 3.23Å; R132-D166 PolarHBondContact NH1-OD2 3.35Å; R132-A402 WeakPolarHBondContact CD-O 3.42Å; R132-A402 HydrophobicContact CG-CB 4.3Å; R132-D406 IonicContact CZ-OD1 3.64Å; R132-D406 IonicContact NH2-OD1 2.81Å; R132-D406 PolarHBondContact NH2-OD1 3.18Å; R132-L410 HydrophobicContact CG-CD1 4.45Å |
| 133 | A | 88.9 | Confident | 88.9 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A50 V54 S129 V130 T137 L349 L407 | A50-A133 HydrophobicContact CB-CB 3.76Å; V54-A133 HydrophobicContact CG2-CB 4.37Å; S129-A133 WeakPolarHBondContact O-CB 3.44Å; S129-A133 PolarHBondContact O-N 3.11Å; V130-A133 PolarHBondContact O-N 3.29Å; A133-T137 WeakPolarHBondContact O-CB 3.32Å; A133-T137 PolarHBondContact O-N 3.45Å; A133-T137 PolarHBondContact O-OG1 3.27Å; A133-L349 HydrophobicContact CB-CD2 4.01Å; A133-L407 HydrophobicContact CB-CD1 4.47Å; A133-L407 HydrophobicContact CB-CD2 4.45Å |
| 134 | W | 91.7 | Very high | 88.4 | Confident | 30 Ų | 30 | 24.5 Ų | 24.5 | 11% | 0.114 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -52.1 | 174.2 | -162.2 | 108.8 | 0 | 0 | 0 | 110.9 | V130 A131 R132 G136 T137 F138 F168 L172 L346 L349 S350 | V130-W134 WeakPolarHBondContact O-CB 3.49Å; V130-W134 PolarHBondContact O-N 3.32Å; A131-W134 WeakPolarHBondContact O-CB 3.44Å; A131-W134 PolarHBondContact O-N 3.2Å; R132-W134 VanDerWaalsContact C-N 3.31Å; R132-W134 PolarHBondContact O-N 3.06Å; W134-G136 PolarHBondContact O-N 3.48Å; W134-T137 PolarHBondContact O-N 2.75Å; W134-F138 HydrophobicContact CE3-CB 3.85Å; W134-F138 HydrophobicContact CE3-CG 4.41Å; W134-F138 HydrophobicContact CH2-CB 4.3Å; W134-F138 AromaticContact CH2-CD2 3.96Å; W134-F138 HydrophobicContact CH2-CD2 3.96Å; W134-F138 HydrophobicContact CH2-CE2 4.5Å; W134-F138 HydrophobicContact CH2-CG 4.1Å; W134-F138 HydrophobicContact CZ3-CB 3.48Å; W134-F138 VanDerWaalsContact CZ3-CB 3.48Å; W134-F138 HydrophobicContact CZ3-CD1 4.09Å; W134-F138 AromaticContact CZ3-CD2 3.91Å; W134-F138 HydrophobicContact CZ3-CD2 3.91Å; W134-F138 AromaticContact CZ3-CG 3.56Å; W134-F138 HydrophobicContact CZ3-CG 3.56Å; W134-F138 WeakPolarHBondContact O-CB 3.48Å; W134-F138 PolarHBondContact O-N 3.05Å; W134-F168 HydrophobicContact CE3-CD1 4.24Å; W134-F168 AromaticContact CE3-CE1 3.36Å; W134-F168 HydrophobicContact CE3-CE1 3.36Å; W134-F168 HydrophobicContact CE3-CZ 4.09Å; W134-F168 HydrophobicContact CH2-CE1 4Å; W134-F168 AromaticContact CH2-CZ 3.87Å; W134-F168 HydrophobicContact CH2-CZ 3.87Å; W134-F168 HydrophobicContact CZ3-CD1 4.17Å; W134-F168 AromaticContact CZ3-CE1 3.04Å; W134-F168 HydrophobicContact CZ3-CE1 3.04Å; W134-F168 AromaticContact CZ3-CZ 3.28Å; W134-F168 HydrophobicContact CZ3-CZ 3.28Å; W134-L172 HydrophobicContact CB-CD2 3.93Å; W134-L172 HydrophobicContact CD2-CD2 3.72Å; W134-L172 HydrophobicContact CE3-CD2 4.04Å; W134-L172 HydrophobicContact CG-CD2 3.68Å; W134-L346 HydrophobicContact CD2-CD2 3.95Å; W134-L346 HydrophobicContact CE3-CD2 4.3Å; W134-L346 HydrophobicContact CG-CD2 4.37Å; W134-L346 HydrophobicContact CH2-CD2 4.42Å; W134-L346 HydrophobicContact CZ2-CD2 4.08Å; W134-L346 HydrophobicContact CZ3-CD2 4.48Å; W134-L346 PolarHBondContact NE1-O 3.32Å; W134-L349 HydrophobicContact CB-CB 4.21Å; W134-L349 HydrophobicContact CB-CD1 4.4Å; W134-L349 HydrophobicContact CG-CB 4.21Å; W134-S350 PolarHBondContact NE1-OG 2.92Å |
| 135 | S | 90.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.9 | -45.9 | 178.8 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | A131 R132 T137 F138 D139 D166 | A131-S135 PolarHBondContact O-N 3.48Å; R132-S135 PolarHBondContact O-N 3.11Å; S135-T137 PolarHBondContact O-N 2.92Å; S135-F138 PolarHBondContact O-N 2.98Å; S135-D139 WeakPolarHBondContact O-CB 3.48Å; S135-D139 PolarHBondContact O-N 3.03Å; S135-D166 VanDerWaalsContact CB-OD2 3.25Å; S135-D166 WeakPolarHBondContact CB-OD2 3.39Å; S135-D166 VanDerWaalsContact OG-CG 3.3Å; S135-D166 PolarHBondContact OG-OD1 3.36Å; S135-D166 PolarHBondContact OG-OD2 3.45Å |
| 136 | G | 85.7 | Confident | 87.8 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R132 W134 F138 D139 E140 | R132-G136 PolarHBondContact O-N 3.4Å; W134-G136 PolarHBondContact O-N 3.48Å; G136-F138 VanDerWaalsContact C-N 3.33Å; G136-D139 PolarHBondContact O-N 2.89Å; G136-E140 PolarHBondContact O-N 3.25Å |
| 137 | T | 85.6 | Confident | 87.4 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | A133 W134 S135 E140 L141 S345 L346 | A133-T137 WeakPolarHBondContact O-CB 3.32Å; A133-T137 PolarHBondContact O-N 3.45Å; A133-T137 PolarHBondContact O-OG1 3.27Å; W134-T137 PolarHBondContact O-N 2.75Å; S135-T137 PolarHBondContact O-N 2.92Å; T137-E140 PolarHBondContact O-N 3.39Å; T137-L141 PolarHBondContact O-N 3.18Å; T137-S345 WeakPolarHBondContact CG2-OG 3.39Å; T137-L346 HydrophobicContact CG2-CD2 4Å; T137-L346 HydrophobicContact CG2-CG 4.46Å |
| 138 | F | 88.8 | Confident | 87.1 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 177.4 | -174.6 | -107.7 | 0 | 0 | 0 | 112.3 | W134 S135 G136 E140 L141 L142 I146 F168 L346 | W134-F138 HydrophobicContact CE3-CB 3.85Å; W134-F138 HydrophobicContact CE3-CG 4.41Å; W134-F138 HydrophobicContact CH2-CB 4.3Å; W134-F138 AromaticContact CH2-CD2 3.96Å; W134-F138 HydrophobicContact CH2-CD2 3.96Å; W134-F138 HydrophobicContact CH2-CE2 4.5Å; W134-F138 HydrophobicContact CH2-CG 4.1Å; W134-F138 HydrophobicContact CZ3-CB 3.48Å; W134-F138 VanDerWaalsContact CZ3-CB 3.48Å; W134-F138 HydrophobicContact CZ3-CD1 4.09Å; W134-F138 AromaticContact CZ3-CD2 3.91Å; W134-F138 HydrophobicContact CZ3-CD2 3.91Å; W134-F138 AromaticContact CZ3-CG 3.56Å; W134-F138 HydrophobicContact CZ3-CG 3.56Å; W134-F138 WeakPolarHBondContact O-CB 3.48Å; W134-F138 PolarHBondContact O-N 3.05Å; S135-F138 PolarHBondContact O-N 2.98Å; G136-F138 VanDerWaalsContact C-N 3.33Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 3.49Å; F138-L141 WeakPolarHBondContact O-CB 3.45Å; F138-L141 PolarHBondContact O-N 3.23Å; F138-L142 HydrophobicContact CD1-CD1 3.99Å; F138-L142 HydrophobicContact CE1-CD1 3.47Å; F138-L142 VanDerWaalsContact CE1-CD1 3.47Å; F138-L142 HydrophobicContact CE1-CG 4.46Å; F138-L142 HydrophobicContact CZ-CD1 3.85Å; F138-L142 PolarHBondContact O-N 3.11Å; F138-I146 HydrophobicContact CD1-CD1 4.06Å; F138-I146 HydrophobicContact CE1-CD1 4.1Å; F138-F168 HydrophobicContact CD1-CE2 4.46Å; F138-F168 HydrophobicContact CD1-CZ 4.32Å; F138-F168 HydrophobicContact CE1-CE2 4.33Å; F138-F168 HydrophobicContact CE1-CZ 4.47Å; F138-L346 HydrophobicContact CB-CD2 4.22Å; F138-L346 HydrophobicContact CD2-CD1 4.24Å |
| 139 | D | 87.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 174.4 | -172.5 | 36.7 | 0 | 0 | 0 | 111.7 | S135 G136 L141 L142 S143 K144 Q145 I146 G147 | S135-D139 WeakPolarHBondContact O-CB 3.48Å; S135-D139 PolarHBondContact O-N 3.03Å; G136-D139 PolarHBondContact O-N 2.89Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 3.03Å; D139-L142 CarbonylContact O-C 3.58Å; D139-L142 WeakPolarHBondContact O-CA 3.39Å; D139-L142 PolarHBondContact O-N 2.59Å; D139-L142 VanDerWaalsContact O-N 3.1Å; D139-S143 PolarHBondContact O-N 3.39Å; D139-K144 WeakPolarHBondContact O-CA 3.39Å; D139-K144 PolarHBondContact O-N 3.05Å; D139-K144 VanDerWaalsContact OD1-CA 3.29Å; D139-K144 WeakPolarHBondContact OD1-CA 3.46Å; D139-Q145 PolarHBondContact OD1-N 2.92Å; D139-I146 HydrophobicContact CB-CB 4.48Å; D139-I146 WeakPolarHBondContact OD1-CA 3.41Å; D139-I146 VanDerWaalsContact OD1-CB 3.24Å; D139-I146 WeakPolarHBondContact OD1-CB 3.35Å; D139-I146 PolarHBondContact OD1-N 3.18Å; D139-G147 VanDerWaalsContact CG-N 3.35Å; D139-G147 PolarHBondContact OD1-N 3.47Å; D139-G147 VanDerWaalsContact OD1-N 3.16Å; D139-G147 WeakPolarHBondContact OD2-CA 3.36Å; D139-G147 PolarHBondContact OD2-N 2.89Å |
| 140 | E | 82.2 | Confident | 86.7 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 174.7 | -163.8 | 71.9 | -149.1 | 0 | 0 | 112.2 | G136 T137 F138 L142 S143 K144 S323 | G136-E140 PolarHBondContact O-N 3.25Å; T137-E140 PolarHBondContact O-N 3.39Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 3.49Å; E140-L142 PolarHBondContact O-N 3.43Å; E140-S143 PolarHBondContact O-N 2.86Å; E140-K144 WeakPolarHBondContact OE1-CE 3.38Å; E140-K144 IonicContact OE1-NZ 2.8Å; E140-K144 PolarHBondContact OE1-NZ 3.07Å; E140-K144 WeakPolarHBondContact OE2-CE 3.3Å; E140-K144 IonicContact OE2-NZ 3.83Å; E140-K144 PolarHBondContact OE2-NZ 3.2Å; E140-S323 WeakPolarHBondContact CG-OG 3.24Å |
| 141 | L | 82.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -30.5 | 176.3 | -72.5 | 167 | 0 | 0 | 0 | 112.4 | T137 F138 D139 S143 A342 L346 | T137-L141 PolarHBondContact O-N 3.18Å; F138-L141 WeakPolarHBondContact O-CB 3.45Å; F138-L141 PolarHBondContact O-N 3.23Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 3.03Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.46Å; L141-A342 HydrophobicContact CD1-CB 4.08Å; L141-A342 HydrophobicContact CD2-CB 3.41Å; L141-A342 VanDerWaalsContact CD2-CB 3.41Å; L141-A342 HydrophobicContact CG-CB 4.15Å; L141-L346 HydrophobicContact CD1-CD1 3.69Å; L141-L346 HydrophobicContact CD1-CG 4.33Å |
| 142 | L | 85.1 | Confident | 86.1 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 41% | 0.414 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 16 | 174 | -63.8 | 175.3 | 0 | 0 | 0 | 112.8 | F138 D139 E140 K144 Q145 I146 | F138-L142 HydrophobicContact CD1-CD1 3.99Å; F138-L142 HydrophobicContact CE1-CD1 3.47Å; F138-L142 VanDerWaalsContact CE1-CD1 3.47Å; F138-L142 HydrophobicContact CE1-CG 4.46Å; F138-L142 HydrophobicContact CZ-CD1 3.85Å; F138-L142 PolarHBondContact O-N 3.11Å; D139-L142 CarbonylContact O-C 3.58Å; D139-L142 WeakPolarHBondContact O-CA 3.39Å; D139-L142 PolarHBondContact O-N 2.59Å; D139-L142 VanDerWaalsContact O-N 3.1Å; E140-L142 PolarHBondContact O-N 3.43Å; L142-K144 VanDerWaalsContact C-N 3.34Å; L142-K144 PolarHBondContact O-N 3.36Å; L142-Q145 WeakPolarHBondContact O-CG 3.32Å; L142-I146 HydrophobicContact CD1-CD1 3.59Å; L142-I146 HydrophobicContact CD1-CG1 4.27Å |
| 143 | S | 82.1 | Confident | 86 | Confident | 87 Ų | 87 | 60 Ų | 60 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 40.5 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | D139 E140 L141 Q145 | D139-S143 PolarHBondContact O-N 3.39Å; E140-S143 PolarHBondContact O-N 2.86Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.46Å; S143-Q145 VanDerWaalsContact C-N 3.27Å; S143-Q145 PolarHBondContact O-N 3.01Å |
| 144 | K | 82.4 | Confident | 85.8 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 19 | 173.6 | -59.7 | 176.4 | 178.9 | 162.9 | 0 | 115.7 | D139 E140 L142 Q148 | D139-K144 WeakPolarHBondContact O-CA 3.39Å; D139-K144 PolarHBondContact O-N 3.05Å; D139-K144 VanDerWaalsContact OD1-CA 3.29Å; D139-K144 WeakPolarHBondContact OD1-CA 3.46Å; E140-K144 WeakPolarHBondContact OE1-CE 3.38Å; E140-K144 IonicContact OE1-NZ 2.8Å; E140-K144 PolarHBondContact OE1-NZ 3.07Å; E140-K144 WeakPolarHBondContact OE2-CE 3.3Å; E140-K144 IonicContact OE2-NZ 3.83Å; E140-K144 PolarHBondContact OE2-NZ 3.2Å; L142-K144 VanDerWaalsContact C-N 3.34Å; L142-K144 PolarHBondContact O-N 3.36Å; K144-Q148 WeakPolarHBondContact O-CB 3.48Å; K144-Q148 VanDerWaalsContact O-CG 3.27Å; K144-Q148 WeakPolarHBondContact O-CG 3.49Å; K144-Q148 PolarHBondContact O-N 3.07Å |
| 145 | Q | 86.4 | Confident | 85.4 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | -176 | -66.7 | -69.1 | -36.7 | 0 | 0 | 112.6 | D139 L142 S143 F149 | D139-Q145 PolarHBondContact OD1-N 2.92Å; L142-Q145 WeakPolarHBondContact O-CG 3.32Å; S143-Q145 VanDerWaalsContact C-N 3.27Å; S143-Q145 PolarHBondContact O-N 3.01Å; Q145-F149 WeakPolarHBondContact O-CB 3.33Å; Q145-F149 PolarHBondContact O-N 3.48Å; Q145-F149 VanDerWaalsContact O-N 3.09Å |
| 146 | I | 84.9 | Confident | 84.8 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.2 | -46.8 | -179.4 | -59.3 | 167.5 | 0 | 0 | 0 | 109.3 | F138 D139 L142 Q148 F149 L150 | F138-I146 HydrophobicContact CD1-CD1 4.06Å; F138-I146 HydrophobicContact CE1-CD1 4.1Å; D139-I146 HydrophobicContact CB-CB 4.48Å; D139-I146 WeakPolarHBondContact OD1-CA 3.41Å; D139-I146 VanDerWaalsContact OD1-CB 3.24Å; D139-I146 WeakPolarHBondContact OD1-CB 3.35Å; D139-I146 PolarHBondContact OD1-N 3.18Å; L142-I146 HydrophobicContact CD1-CD1 3.59Å; L142-I146 HydrophobicContact CD1-CG1 4.27Å; I146-Q148 VanDerWaalsContact C-N 3.35Å; I146-Q148 PolarHBondContact O-N 3.16Å; I146-F149 PolarHBondContact O-N 2.92Å; I146-L150 HydrophobicContact CG2-CD1 3.89Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 2.85Å |
| 147 | G | 82.3 | Confident | 84 | Confident | 4 Ų | 4 | 79 Ų | 79 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D139 R151 | D139-G147 VanDerWaalsContact CG-N 3.35Å; D139-G147 PolarHBondContact OD1-N 3.47Å; D139-G147 VanDerWaalsContact OD1-N 3.16Å; D139-G147 WeakPolarHBondContact OD2-CA 3.36Å; D139-G147 PolarHBondContact OD2-N 2.89Å; G147-R151 VanDerWaalsContact O-CB 3.3Å; G147-R151 WeakPolarHBondContact O-CB 3.43Å; G147-R151 WeakPolarHBondContact O-CG 3.45Å; G147-R151 PolarHBondContact O-N 3.23Å |
| 148 | Q | 86.2 | Confident | 83.5 | Confident | 103 Ų | 103 | 87.3 Ų | 87.3 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 174.8 | -76.7 | 176.2 | 2.9 | 0 | 0 | 111.7 | K144 I146 L150 R151 T152 | K144-Q148 WeakPolarHBondContact O-CB 3.48Å; K144-Q148 VanDerWaalsContact O-CG 3.27Å; K144-Q148 WeakPolarHBondContact O-CG 3.49Å; K144-Q148 PolarHBondContact O-N 3.07Å; I146-Q148 VanDerWaalsContact C-N 3.35Å; I146-Q148 PolarHBondContact O-N 3.16Å; Q148-L150 PolarHBondContact O-N 3.25Å; Q148-R151 PolarHBondContact O-N 3.29Å; Q148-T152 PolarHBondContact O-N 3.45Å; Q148-T152 PolarHBondContact O-OG1 3.44Å; Q148-T152 VanDerWaalsContact O-OG1 3.04Å |
| 149 | F | 87.9 | Confident | 82.6 | Confident | 117 Ų | 117 | 91.5 Ų | 91.5 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 177.3 | 177 | -93.6 | 0 | 0 | 0 | 111.9 | Q145 I146 R151 T152 Y153 | Q145-F149 WeakPolarHBondContact O-CB 3.33Å; Q145-F149 PolarHBondContact O-N 3.48Å; Q145-F149 VanDerWaalsContact O-N 3.09Å; I146-F149 PolarHBondContact O-N 2.92Å; F149-R151 PolarHBondContact O-N 2.96Å; F149-T152 PolarHBondContact O-N 3.43Å; F149-T152 VanDerWaalsContact O-N 3.16Å; F149-Y153 HydrophobicContact CD1-CD2 4.36Å; F149-Y153 AromaticContact CD2-CD2 3.74Å; F149-Y153 HydrophobicContact CD2-CD2 3.74Å; F149-Y153 AromaticContact CD2-CE2 3.51Å; F149-Y153 HydrophobicContact CD2-CE2 3.51Å; F149-Y153 HydrophobicContact CE1-CD2 4.17Å; F149-Y153 AromaticContact CE2-CD2 3.52Å; F149-Y153 HydrophobicContact CE2-CD2 3.52Å; F149-Y153 AromaticContact CE2-CE2 3.26Å; F149-Y153 HydrophobicContact CE2-CE2 3.26Å; F149-Y153 HydrophobicContact CG-CD2 4.15Å; F149-Y153 HydrophobicContact CG-CE2 4.35Å; F149-Y153 AromaticContact CZ-CD2 3.75Å; F149-Y153 HydrophobicContact CZ-CD2 3.75Å; F149-Y153 AromaticContact CZ-CE2 3.92Å; F149-Y153 HydrophobicContact CZ-CE2 3.92Å; F149-Y153 VanDerWaalsContact O-CD2 3.27Å; F149-Y153 WeakPolarHBondContact O-CD2 3.47Å; F149-Y153 PolarHBondContact O-N 3.26Å |
| 150 | L | 86.1 | Confident | 81.5 | Confident | 13 Ų | 13 | 92.7 Ų | 92.7 | 7% | 0.068 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | -178.6 | -68.7 | 175.3 | 0 | 0 | 0 | 112.5 | I146 Q148 T152 Y153 F154 Y164 F167 | I146-L150 HydrophobicContact CG2-CD1 3.89Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 2.85Å; Q148-L150 PolarHBondContact O-N 3.25Å; L150-T152 VanDerWaalsContact C-N 3.3Å; L150-T152 PolarHBondContact O-N 3.29Å; L150-Y153 PolarHBondContact O-N 3.41Å; L150-F154 HydrophobicContact CD2-CD2 4.27Å; L150-F154 CarbonylContact O-C 3.56Å; L150-F154 WeakPolarHBondContact O-CA 3.45Å; L150-F154 PolarHBondContact O-N 2.89Å; L150-Y164 HydrophobicContact CB-CD2 3.63Å; L150-Y164 HydrophobicContact CB-CE2 4.25Å; L150-Y164 HydrophobicContact CB-CG 3.99Å; L150-Y164 HydrophobicContact CD1-CD2 3.66Å; L150-Y164 HydrophobicContact CD1-CE2 3.73Å; L150-Y164 HydrophobicContact CG-CD2 4.29Å; L150-F167 HydrophobicContact CD2-CD2 3.94Å; L150-F167 HydrophobicContact CD2-CE2 4.25Å |
| 151 | R | 85.3 | Confident | 81.3 | Confident | 105 Ų | 105 | 93.4 Ų | 93.4 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -32 | 174.2 | -76.6 | 173.8 | 172.7 | 175.4 | -1 | 112.7 | G147 Q148 F149 E163 Y164 | G147-R151 VanDerWaalsContact O-CB 3.3Å; G147-R151 WeakPolarHBondContact O-CB 3.43Å; G147-R151 WeakPolarHBondContact O-CG 3.45Å; G147-R151 PolarHBondContact O-N 3.23Å; Q148-R151 PolarHBondContact O-N 3.29Å; F149-R151 PolarHBondContact O-N 2.96Å; R151-E163 IonicContact CZ-OE2 3.05Å; R151-E163 IonicContact NE-OE2 2.83Å; R151-E163 PolarHBondContact NE-OE2 3.05Å; R151-E163 IonicContact NH2-OE1 2.61Å; R151-E163 IonicContact NH2-OE2 3.22Å; R151-E163 PolarHBondContact NH2-OE2 2.76Å; R151-Y164 HydrophobicContact CG-CD1 3.59Å; R151-Y164 HydrophobicContact CG-CE1 4.21Å; R151-Y164 HydrophobicContact CG-CG 4.31Å |
| 152 | T | 87 | Confident | 81.2 | Confident | 108 Ų | 108 | 90.5 Ų | 90.5 | 66% | 0.663 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -72.2 | -40.2 | 178.4 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Q148 F149 L150 | Q148-T152 PolarHBondContact O-N 3.45Å; Q148-T152 PolarHBondContact O-OG1 3.44Å; Q148-T152 VanDerWaalsContact O-OG1 3.04Å; F149-T152 PolarHBondContact O-N 3.43Å; F149-T152 VanDerWaalsContact O-N 3.16Å; L150-T152 VanDerWaalsContact C-N 3.3Å; L150-T152 PolarHBondContact O-N 3.29Å |
| 153 | Y | 86.9 | Confident | 81 | Confident | 155 Ų | 155 | 91.2 Ų | 91.2 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -99.4 | -28.3 | -174 | -66.7 | -75.4 | 0 | 0 | 0 | 114.8 | F149 L150 | F149-Y153 HydrophobicContact CD1-CD2 4.36Å; F149-Y153 AromaticContact CD2-CD2 3.74Å; F149-Y153 HydrophobicContact CD2-CD2 3.74Å; F149-Y153 AromaticContact CD2-CE2 3.51Å; F149-Y153 HydrophobicContact CD2-CE2 3.51Å; F149-Y153 HydrophobicContact CE1-CD2 4.17Å; F149-Y153 AromaticContact CE2-CD2 3.52Å; F149-Y153 HydrophobicContact CE2-CD2 3.52Å; F149-Y153 AromaticContact CE2-CE2 3.26Å; F149-Y153 HydrophobicContact CE2-CE2 3.26Å; F149-Y153 HydrophobicContact CG-CD2 4.15Å; F149-Y153 HydrophobicContact CG-CE2 4.35Å; F149-Y153 AromaticContact CZ-CD2 3.75Å; F149-Y153 HydrophobicContact CZ-CD2 3.75Å; F149-Y153 AromaticContact CZ-CE2 3.92Å; F149-Y153 HydrophobicContact CZ-CE2 3.92Å; F149-Y153 VanDerWaalsContact O-CD2 3.27Å; F149-Y153 WeakPolarHBondContact O-CD2 3.47Å; F149-Y153 PolarHBondContact O-N 3.26Å; L150-Y153 PolarHBondContact O-N 3.41Å |
| 154 | F | 83.8 | Confident | 81.1 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 45% | 0.452 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -132.5 | 45.2 | -169.7 | -63.9 | -80.1 | 0 | 0 | 0 | 113.1 | L150 M156 P165 F167 | L150-F154 HydrophobicContact CD2-CD2 4.27Å; L150-F154 CarbonylContact O-C 3.56Å; L150-F154 WeakPolarHBondContact O-CA 3.45Å; L150-F154 PolarHBondContact O-N 2.89Å; F154-M156 PolarHBondContact O-N 2.92Å; F154-P165 HydrophobicContact CB-CG 3.76Å; F154-P165 HydrophobicContact CG-CG 4.4Å; F154-P165 WeakPolarHBondContact O-CD 3.44Å; F154-F167 HydrophobicContact CD2-CE2 4.4Å |
| 155 | R | 83.6 | Confident | 81.4 | Confident | 179 Ų | 179 | 83.8 Ų | 83.8 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | trans | -68.4 | 124.2 | 179.5 | -167.6 | 172.7 | 176.6 | 166.5 | 1.8 | 112.2 | N157 | R155-N157 PolarHBondContact NE-OD1 2.95Å; R155-N157 PolarHBondContact NH2-OD1 3.32Å | ||
| 156 | M | 79.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 78.1 Ų | 78.1 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | trans | -106.1 | 116.2 | 170.3 | -67.3 | -167.3 | -70.9 | 0 | 0 | 108.5 | F154 A162 E163 P165 | F154-M156 PolarHBondContact O-N 2.92Å; M156-A162 VanDerWaalsContact CB-O 3.29Å; M156-A162 WeakPolarHBondContact CB-O 3.48Å; M156-A162 HydrophobicContact CE-CB 4.1Å; M156-E163 PolarHBondContact N-O 2.9Å; M156-P165 HydrophobicContact CE-CB 4.01Å; M156-P165 HydrophobicContact CE-CG 4.38Å | ||
| 157 | N | 68.8 | Low | 81.8 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | trans | -113.4 | 49.6 | -168.1 | -139.5 | 46.1 | 0 | 0 | 0 | 111.9 | R155 | R155-N157 PolarHBondContact NE-OD1 2.95Å; R155-N157 PolarHBondContact NH2-OD1 3.32Å | ||
| 158 | Y | 75.4 | Confident | 82.2 | Confident | 182 Ų | 182 | 83.8 Ų | 83.8 | 71% | 0.714 | 40% | 0.395 | S | S | * | . | trans | -120.3 | 136.4 | 179.5 | -77.8 | -80.4 | 0 | 0 | 0 | 111.2 | G160 L161 | Y158-G160 PolarHBondContact O-N 3.5Å; Y158-L161 HydrophobicContact CG-CD1 4.29Å; Y158-L161 PolarHBondContact O-N 3.4Å | ||
| 159 | T | 68.3 | Low | 82.5 | Confident | 150 Ų | 150 | 78.9 Ų | 78.9 | 92% | 0.92 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 119.8 | 178.9 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 160 | G | 64.9 | Low | 82.7 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -6.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y158 R586 | Y158-G160 PolarHBondContact O-N 3.5Å; G160-R586 VanDerWaalsContact CA-NH2 3.31Å; G160-R586 PolarHBondContact O-NH1 3.18Å; G160-R586 PolarHBondContact O-NH2 3.16Å; G160-R586 VanDerWaalsContact O-NH2 3.11Å |
| 161 | L | 77.7 | Confident | 83.1 | Confident | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -95.9 | 162.7 | 167.3 | -78.3 | 152.1 | 0 | 0 | 0 | 110.1 | Y158 L404 | Y158-L161 HydrophobicContact CG-CD1 4.29Å; Y158-L161 PolarHBondContact O-N 3.4Å; L161-L404 HydrophobicContact CD2-CB 4.13Å; L161-L404 WeakPolarHBondContact CD2-O 3.19Å |
| 162 | A | 80.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -62.2 | 147.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | M156 Y164 L404 | M156-A162 VanDerWaalsContact CB-O 3.29Å; M156-A162 WeakPolarHBondContact CB-O 3.48Å; M156-A162 HydrophobicContact CE-CB 4.1Å; A162-Y164 WeakPolarHBondContact CB-O 3.25Å; A162-Y164 PolarHBondContact O-N 3.41Å; A162-L404 PolarHBondContact N-O 2.9Å | ||
| 163 | E | 81.4 | Confident | 83.9 | Confident | 95 Ų | 95 | 69 Ų | 69 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -63.6 | -28.3 | 176.1 | -64.7 | 178.6 | 169 | 0 | 0 | 113.2 | R151 M156 | R151-E163 IonicContact CZ-OE2 3.05Å; R151-E163 IonicContact NE-OE2 2.83Å; R151-E163 PolarHBondContact NE-OE2 3.05Å; R151-E163 IonicContact NH2-OE1 2.61Å; R151-E163 IonicContact NH2-OE2 3.22Å; R151-E163 PolarHBondContact NH2-OE2 2.76Å; M156-E163 PolarHBondContact N-O 2.9Å |
| 164 | Y | 84.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -152.5 | 152 | 177.9 | 62.6 | -92 | 0 | 0 | 0 | 109.8 | L150 R151 A162 | L150-Y164 HydrophobicContact CB-CD2 3.63Å; L150-Y164 HydrophobicContact CB-CE2 4.25Å; L150-Y164 HydrophobicContact CB-CG 3.99Å; L150-Y164 HydrophobicContact CD1-CD2 3.66Å; L150-Y164 HydrophobicContact CD1-CE2 3.73Å; L150-Y164 HydrophobicContact CG-CD2 4.29Å; R151-Y164 HydrophobicContact CG-CD1 3.59Å; R151-Y164 HydrophobicContact CG-CE1 4.21Å; R151-Y164 HydrophobicContact CG-CG 4.31Å; A162-Y164 WeakPolarHBondContact CB-O 3.25Å; A162-Y164 PolarHBondContact O-N 3.41Å |
| 165 | P | 87.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.032 | 33% | 0.333 | C | S | . | . | trans | -75.4 | 129.2 | 177.1 | 26.2 | -29.5 | 0 | 0 | 0 | 111.4 | F154 M156 F167 F403 | F154-P165 HydrophobicContact CB-CG 3.76Å; F154-P165 HydrophobicContact CG-CG 4.4Å; F154-P165 WeakPolarHBondContact O-CD 3.44Å; M156-P165 HydrophobicContact CE-CB 4.01Å; M156-P165 HydrophobicContact CE-CG 4.38Å; P165-F167 HydrophobicContact CB-CE2 4.23Å; P165-F167 HydrophobicContact CB-CZ 4.42Å; P165-F167 HydrophobicContact CG-CE2 3.85Å; P165-F167 HydrophobicContact CG-CZ 4.2Å; P165-F167 PolarHBondContact O-N 2.87Å; P165-F403 HydrophobicContact CB-CD1 4.31Å; P165-F403 HydrophobicContact CB-CD2 3.72Å; P165-F403 HydrophobicContact CB-CE1 3.9Å; P165-F403 HydrophobicContact CB-CE2 3.27Å; P165-F403 HydrophobicContact CB-CG 4.23Å; P165-F403 HydrophobicContact CB-CZ 3.36Å; P165-F403 HydrophobicContact CG-CE2 4.29Å; P165-F403 HydrophobicContact CG-CZ 4.18Å | ||
| 166 | D | 89 | Confident | 84.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -94.7 | 82.3 | -175.5 | -159 | -32.4 | 0 | 0 | 0 | 112.3 | R132 S135 F168 A169 V170 | R132-D166 WeakPolarHBondContact CD-OD2 3.5Å; R132-D166 IonicContact CZ-OD2 3.46Å; R132-D166 IonicContact NH1-OD2 3.23Å; R132-D166 PolarHBondContact NH1-OD2 3.35Å; S135-D166 VanDerWaalsContact CB-OD2 3.25Å; S135-D166 WeakPolarHBondContact CB-OD2 3.39Å; S135-D166 VanDerWaalsContact OG-CG 3.3Å; S135-D166 PolarHBondContact OG-OD1 3.36Å; S135-D166 PolarHBondContact OG-OD2 3.45Å; D166-F168 PolarHBondContact O-N 3Å; D166-F168 PolarHBondContact OD1-N 3.07Å; D166-A169 HydrophobicContact CB-CB 3.98Å; D166-A169 PolarHBondContact O-N 3.46Å; D166-A169 PolarHBondContact OD1-N 2.78Å; D166-V170 WeakPolarHBondContact O-CG2 3.48Å; D166-V170 PolarHBondContact O-N 3Å | ||
| 167 | F | 90.7 | Very high | 85.4 | Confident | 100 Ų | 100 | 56.2 Ų | 56.2 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -29.7 | 177.9 | -63.4 | -80.8 | 0 | 0 | 0 | 113.1 | L150 F154 P165 V170 C171 F403 | L150-F167 HydrophobicContact CD2-CD2 3.94Å; L150-F167 HydrophobicContact CD2-CE2 4.25Å; F154-F167 HydrophobicContact CD2-CE2 4.4Å; P165-F167 HydrophobicContact CB-CE2 4.23Å; P165-F167 HydrophobicContact CB-CZ 4.42Å; P165-F167 HydrophobicContact CG-CE2 3.85Å; P165-F167 HydrophobicContact CG-CZ 4.2Å; P165-F167 PolarHBondContact O-N 2.87Å; F167-V170 PolarHBondContact O-N 3.04Å; F167-C171 PolarHBondContact O-N 3.06Å; F167-C171 VanDerWaalsContact O-N 3.09Å; F167-F403 HydrophobicContact CD1-CE2 4.07Å; F167-F403 AromaticContact CE1-CE2 3.63Å; F167-F403 HydrophobicContact CE1-CE2 3.63Å; F167-F403 HydrophobicContact CE1-CZ 4.4Å; F167-F403 AromaticContact CZ-CE2 3.91Å; F167-F403 HydrophobicContact CZ-CE2 3.91Å; F167-F403 HydrophobicContact CZ-CZ 4.43Å |
| 168 | F | 91.2 | Very high | 86.3 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 31% | 0.311 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.2 | -46.6 | 180 | -174.5 | -82.6 | 0 | 0 | 0 | 110.7 | W134 F138 D166 V170 C171 L172 | W134-F168 HydrophobicContact CE3-CD1 4.24Å; W134-F168 AromaticContact CE3-CE1 3.36Å; W134-F168 HydrophobicContact CE3-CE1 3.36Å; W134-F168 HydrophobicContact CE3-CZ 4.09Å; W134-F168 HydrophobicContact CH2-CE1 4Å; W134-F168 AromaticContact CH2-CZ 3.87Å; W134-F168 HydrophobicContact CH2-CZ 3.87Å; W134-F168 HydrophobicContact CZ3-CD1 4.17Å; W134-F168 AromaticContact CZ3-CE1 3.04Å; W134-F168 HydrophobicContact CZ3-CE1 3.04Å; W134-F168 AromaticContact CZ3-CZ 3.28Å; W134-F168 HydrophobicContact CZ3-CZ 3.28Å; F138-F168 HydrophobicContact CD1-CE2 4.46Å; F138-F168 HydrophobicContact CD1-CZ 4.32Å; F138-F168 HydrophobicContact CE1-CE2 4.33Å; F138-F168 HydrophobicContact CE1-CZ 4.47Å; D166-F168 PolarHBondContact O-N 3Å; D166-F168 PolarHBondContact OD1-N 3.07Å; F168-V170 VanDerWaalsContact C-N 3.3Å; F168-V170 PolarHBondContact O-N 3.32Å; F168-C171 PolarHBondContact O-N 3.3Å; F168-L172 PolarHBondContact O-N 3.27Å |
| 169 | A | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A131 D166 L172 I173 A402 | A131-A169 HydrophobicContact CB-CB 4.1Å; D166-A169 HydrophobicContact CB-CB 3.98Å; D166-A169 PolarHBondContact O-N 3.46Å; D166-A169 PolarHBondContact OD1-N 2.78Å; A169-L172 PolarHBondContact O-N 3.01Å; A169-I173 WeakPolarHBondContact O-CG1 3.47Å; A169-I173 PolarHBondContact O-N 2.94Å; A169-A402 HydrophobicContact CB-CB 4.36Å |
| 170 | V | 93.8 | Very high | 87.6 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 175.3 | 168 | 0 | 0 | 0 | 0 | 111.5 | D166 F167 F168 L172 I173 L174 A399 F403 | D166-V170 WeakPolarHBondContact O-CG2 3.48Å; D166-V170 PolarHBondContact O-N 3Å; F167-V170 PolarHBondContact O-N 3.04Å; F168-V170 VanDerWaalsContact C-N 3.3Å; F168-V170 PolarHBondContact O-N 3.32Å; V170-L172 VanDerWaalsContact C-N 3.29Å; V170-L172 PolarHBondContact O-N 3.38Å; V170-I173 PolarHBondContact O-N 3.16Å; V170-L174 HydrophobicContact CG1-CD1 4.1Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.46Å; V170-L174 VanDerWaalsContact O-N 3.09Å; V170-A399 HydrophobicContact CG1-CB 4.17Å; V170-A399 HydrophobicContact CG2-CB 4.41Å; V170-A399 WeakPolarHBondContact CG2-O 3.43Å; V170-F403 HydrophobicContact CG2-CB 3.92Å; V170-F403 HydrophobicContact CG2-CD2 4.11Å |
| 171 | C | 94.1 | Very high | 88.6 | Confident | 81 Ų | 81 | 38.7 Ų | 38.7 | 55% | 0.547 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 179.1 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | F167 F168 L174 L175 | F167-C171 PolarHBondContact O-N 3.06Å; F167-C171 VanDerWaalsContact O-N 3.09Å; F168-C171 PolarHBondContact O-N 3.3Å; C171-L174 PolarHBondContact O-N 3.44Å; C171-L175 WeakPolarHBondContact O-CB 3.24Å; C171-L175 PolarHBondContact O-N 2.99Å |
| 172 | L | 93.5 | Very high | 88.8 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 178.6 | -174.5 | 66.5 | 0 | 0 | 0 | 112.4 | W134 F168 A169 V170 L175 L176 L353 | W134-L172 HydrophobicContact CB-CD2 3.93Å; W134-L172 HydrophobicContact CD2-CD2 3.72Å; W134-L172 HydrophobicContact CE3-CD2 4.04Å; W134-L172 HydrophobicContact CG-CD2 3.68Å; F168-L172 PolarHBondContact O-N 3.27Å; A169-L172 PolarHBondContact O-N 3.01Å; V170-L172 VanDerWaalsContact C-N 3.29Å; V170-L172 PolarHBondContact O-N 3.38Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-L176 HydrophobicContact CD1-CD1 4.32Å; L172-L176 HydrophobicContact CG-CD1 4.28Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 3.43Å; L172-L353 HydrophobicContact CD2-CD2 3.68Å; L172-L353 HydrophobicContact CG-CD2 3.86Å |
| 173 | I | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 178.2 | -68.6 | 166.1 | 0 | 0 | 0 | 110.6 | T127 A131 A169 V170 L175 L176 A177 G395 A398 A399 A402 | T127-I173 HydrophobicContact CG2-CD1 4.29Å; T127-I173 HydrophobicContact CG2-CG1 4.07Å; T127-I173 HydrophobicContact CG2-CG2 4.04Å; A131-I173 HydrophobicContact CB-CD1 3.61Å; A131-I173 HydrophobicContact CB-CG1 3.56Å; A169-I173 WeakPolarHBondContact O-CG1 3.47Å; A169-I173 PolarHBondContact O-N 2.94Å; V170-I173 PolarHBondContact O-N 3.16Å; I173-L175 VanDerWaalsContact C-N 3.33Å; I173-L175 PolarHBondContact O-N 2.81Å; I173-L176 PolarHBondContact O-N 3.32Å; I173-A177 VanDerWaalsContact O-CB 3.32Å; I173-A177 WeakPolarHBondContact O-CB 3.2Å; I173-A177 PolarHBondContact O-N 2.99Å; I173-G395 WeakPolarHBondContact CG2-O 3.2Å; I173-A398 HydrophobicContact CG2-CB 4.28Å; I173-A399 HydrophobicContact CB-CB 4.37Å; I173-A399 HydrophobicContact CD1-CB 4.48Å; I173-A399 HydrophobicContact CG2-CB 4.17Å; I173-A402 HydrophobicContact CD1-CB 3.67Å |
| 174 | L | 93.6 | Very high | 88.5 | Confident | 88 Ų | 88 | 40.3 Ų | 40.3 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -39 | -179.2 | -67 | 177.8 | 0 | 0 | 0 | 112 | V170 C171 G178 A399 | V170-L174 HydrophobicContact CG1-CD1 4.1Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.46Å; V170-L174 VanDerWaalsContact O-N 3.09Å; C171-L174 PolarHBondContact O-N 3.44Å; L174-G178 PolarHBondContact O-N 3.24Å; L174-A399 HydrophobicContact CD2-CB 4.41Å; L174-A399 HydrophobicContact CG-CB 4.46Å |
| 175 | L | 92 | Very high | 88.1 | Confident | 109 Ų | 109 | 47 Ų | 47 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.3 | -47.9 | 175.5 | -176.2 | 155.7 | 0 | 0 | 0 | 111.2 | C171 L172 I173 G178 L179 | C171-L175 WeakPolarHBondContact O-CB 3.24Å; C171-L175 PolarHBondContact O-N 2.99Å; L172-L175 PolarHBondContact O-N 3.49Å; I173-L175 VanDerWaalsContact C-N 3.33Å; I173-L175 PolarHBondContact O-N 2.81Å; L175-G178 PolarHBondContact O-N 3.36Å; L175-L179 PolarHBondContact O-N 3.08Å |
| 176 | L | 89.8 | Confident | 87.8 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.5 | -33.4 | -178.9 | -66.6 | 175.6 | 0 | 0 | 0 | 112.8 | L172 I173 G178 L179 L180 L353 L354 I357 | L172-L176 HydrophobicContact CD1-CD1 4.32Å; L172-L176 HydrophobicContact CG-CD1 4.28Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 3.43Å; I173-L176 PolarHBondContact O-N 3.32Å; L176-G178 VanDerWaalsContact C-N 3.31Å; L176-L179 HydrophobicContact CD2-CD2 4.18Å; L176-L179 WeakPolarHBondContact O-CB 3.11Å; L176-L179 PolarHBondContact O-N 2.91Å; L176-L180 WeakPolarHBondContact O-CG 3.27Å; L176-L180 PolarHBondContact O-N 3.48Å; L176-L353 HydrophobicContact CD1-CB 4.1Å; L176-L353 HydrophobicContact CD1-CD2 3.32Å; L176-L353 HydrophobicContact CD1-CG 3.54Å; L176-L354 HydrophobicContact CB-CD2 4.39Å; L176-L354 HydrophobicContact CD2-CD2 4.01Å; L176-L354 HydrophobicContact CD2-CG 4.37Å; L176-I357 HydrophobicContact CB-CD1 3.98Å |
| 177 | A | 90.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I173 S181 | I173-A177 VanDerWaalsContact O-CB 3.32Å; I173-A177 WeakPolarHBondContact O-CB 3.2Å; I173-A177 PolarHBondContact O-N 2.99Å; A177-S181 PolarHBondContact O-N 3.37Å; A177-S181 PolarHBondContact O-OG 3.44Å |
| 178 | G | 88.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L174 L175 L176 L180 S181 F182 | L174-G178 PolarHBondContact O-N 3.24Å; L175-G178 PolarHBondContact O-N 3.36Å; L176-G178 VanDerWaalsContact C-N 3.31Å; G178-L180 VanDerWaalsContact C-N 3.34Å; G178-L180 PolarHBondContact O-N 3.15Å; G178-S181 VanDerWaalsContact O-CB 3.3Å; G178-S181 WeakPolarHBondContact O-CB 3.34Å; G178-S181 PolarHBondContact O-N 3.04Å; G178-F182 WeakPolarHBondContact O-CD2 3.47Å |
| 179 | L | 86.1 | Confident | 86.9 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 177.7 | -172.9 | 69.3 | 0 | 0 | 0 | 112 | L175 L176 S181 F182 L354 | L175-L179 PolarHBondContact O-N 3.08Å; L176-L179 HydrophobicContact CD2-CD2 4.18Å; L176-L179 WeakPolarHBondContact O-CB 3.11Å; L176-L179 PolarHBondContact O-N 2.91Å; L179-S181 PolarHBondContact O-N 2.93Å; L179-F182 PolarHBondContact O-N 3.36Å; L179-L354 HydrophobicContact CD2-CD2 4.42Å |
| 180 | L | 85.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -25.4 | 178.1 | -75.8 | 166.4 | 0 | 0 | 0 | 113.2 | L176 G178 F182 S187 L354 I357 F358 T391 | L176-L180 WeakPolarHBondContact O-CG 3.27Å; L176-L180 PolarHBondContact O-N 3.48Å; G178-L180 VanDerWaalsContact C-N 3.34Å; G178-L180 PolarHBondContact O-N 3.15Å; L180-F182 VanDerWaalsContact C-N 3.3Å; L180-F182 PolarHBondContact O-N 3.26Å; L180-S187 VanDerWaalsContact CD2-OG 3.28Å; L180-S187 WeakPolarHBondContact CD2-OG 3.38Å; L180-L354 HydrophobicContact CD1-CD2 4.26Å; L180-L354 HydrophobicContact CD2-CD2 4.33Å; L180-L354 HydrophobicContact CG-CD2 4.15Å; L180-I357 HydrophobicContact CD1-CB 3.54Å; L180-I357 HydrophobicContact CD1-CG2 3.27Å; L180-F358 HydrophobicContact CD2-CD2 3.79Å; L180-T391 HydrophobicContact CB-CG2 4.28Å |
| 181 | S | 84.8 | Confident | 86.3 | Confident | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.3 | -26.4 | 176.6 | -59 | 0 | 0 | 0 | 0 | 112.5 | A177 G178 L179 T386 | A177-S181 PolarHBondContact O-N 3.37Å; A177-S181 PolarHBondContact O-OG 3.44Å; G178-S181 VanDerWaalsContact O-CB 3.3Å; G178-S181 WeakPolarHBondContact O-CB 3.34Å; G178-S181 PolarHBondContact O-N 3.04Å; L179-S181 PolarHBondContact O-N 2.93Å; S181-T386 PolarHBondContact O-OG1 3.43Å |
| 182 | F | 82.4 | Confident | 86 | Confident | 168 Ų | 168 | 54.1 Ų | 54.1 | 74% | 0.737 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -76.3 | -23.2 | -179.1 | -70.2 | -69 | 0 | 0 | 0 | 114.3 | G178 L179 L180 T384 | G178-F182 WeakPolarHBondContact O-CD2 3.47Å; L179-F182 PolarHBondContact O-N 3.36Å; L180-F182 VanDerWaalsContact C-N 3.3Å; L180-F182 PolarHBondContact O-N 3.26Å; F182-T384 WeakPolarHBondContact O-CG2 3.5Å |
| 183 | G | 78.6 | Confident | 85.9 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | trans | 153.6 | 142.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S187 | G183-S187 PolarHBondContact O-N 2.84Š| ||
| 184 | V | 76.1 | Confident | 85.8 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | -177.7 | 172.7 | 0 | 0 | 0 | 0 | 113 | L34 S187 A188 E280 F358 T386 | L34-V184 HydrophobicContact CD2-CG1 4.27Å; V184-S187 PolarHBondContact O-N 3.24Å; V184-A188 WeakPolarHBondContact O-CB 3.4Å; V184-A188 PolarHBondContact O-N 2.98Å; V184-E280 WeakPolarHBondContact CG1-OE2 3.37Å; V184-F358 HydrophobicContact CB-CE2 4.43Å; V184-F358 HydrophobicContact CG1-CE2 3.75Å; V184-F358 HydrophobicContact CG1-CZ 3.64Å; V184-F358 HydrophobicContact CG2-CE2 4.33Å; V184-T386 HydrophobicContact CG2-CG2 3.68Å |
| 185 | K | 77.3 | Confident | 85.7 | Confident | 148 Ų | 148 | 55 Ų | 55 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | -173.9 | -171.8 | -175.3 | 176.6 | -167.7 | 0 | 112.1 | A188 W189 | K185-A188 PolarHBondContact O-N 3.2Å; K185-W189 PolarHBondContact O-N 3.41Å |
| 186 | E | 80.9 | Confident | 85.7 | Confident | 128 Ų | 128 | 52.3 Ų | 52.3 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 178.4 | -56.9 | -50.3 | 134.8 | 0 | 0 | 110.8 | A188 W189 V190 | E186-A188 VanDerWaalsContact C-N 3.35Å; E186-A188 PolarHBondContact O-N 3.1Å; E186-W189 PolarHBondContact O-N 2.97Å; E186-V190 PolarHBondContact O-N 3.06Å |
| 187 | S | 83.2 | Confident | 85.9 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | L180 G183 V184 W189 V190 N191 | L180-S187 VanDerWaalsContact CD2-OG 3.28Å; L180-S187 WeakPolarHBondContact CD2-OG 3.38Å; G183-S187 PolarHBondContact O-N 2.84Å; V184-S187 PolarHBondContact O-N 3.24Å; S187-W189 VanDerWaalsContact C-N 3.31Å; S187-W189 PolarHBondContact O-N 3.49Å; S187-V190 PolarHBondContact O-N 2.8Å; S187-N191 WeakPolarHBondContact O-CB 3.44Å; S187-N191 PolarHBondContact O-N 3.44Å |
| 188 | A | 82.5 | Confident | 86 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L34 V184 K185 E186 K192 | L34-A188 HydrophobicContact CD2-CB 3.82Å; V184-A188 WeakPolarHBondContact O-CB 3.4Å; V184-A188 PolarHBondContact O-N 2.98Å; K185-A188 PolarHBondContact O-N 3.2Å; E186-A188 VanDerWaalsContact C-N 3.35Å; E186-A188 PolarHBondContact O-N 3.1Å; A188-K192 WeakPolarHBondContact O-CB 3.47Å; A188-K192 PolarHBondContact O-N 3.48Å |
| 189 | W | 85.9 | Confident | 86.3 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 61% | 0.614 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.1 | -46 | 175.2 | -177.8 | 88.6 | 0 | 0 | 0 | 111.7 | K185 E186 S187 N191 K192 V193 | K185-W189 PolarHBondContact O-N 3.41Å; E186-W189 PolarHBondContact O-N 2.97Å; S187-W189 VanDerWaalsContact C-N 3.31Å; S187-W189 PolarHBondContact O-N 3.49Å; W189-N191 VanDerWaalsContact C-N 3.35Å; W189-N191 PolarHBondContact O-N 3.3Å; W189-K192 WeakPolarHBondContact O-CB 3.49Å; W189-K192 PolarHBondContact O-N 2.88Å; W189-V193 HydrophobicContact CD2-CG2 4.38Å; W189-V193 HydrophobicContact CH2-CG2 4.23Å; W189-V193 HydrophobicContact CZ2-CG2 4.07Å; W189-V193 HydrophobicContact CZ3-CG2 4.46Å; W189-V193 PolarHBondContact O-N 3.35Å |
| 190 | V | 86.5 | Confident | 86.7 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | E186 S187 K192 V193 F194 L354 | E186-V190 PolarHBondContact O-N 3.06Å; S187-V190 PolarHBondContact O-N 2.8Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.06Å; V190-V193 PolarHBondContact O-N 3.06Å; V190-F194 HydrophobicContact CG1-CD2 3.88Å; V190-F194 HydrophobicContact CG1-CE2 3.58Å; V190-F194 HydrophobicContact CG1-CZ 3.98Å; V190-F194 PolarHBondContact O-N 2.84Å; V190-L354 HydrophobicContact CG1-CD1 4.31Å |
| 191 | N | 87.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 179.2 | -171 | 72.7 | 0 | 0 | 0 | 112 | A41 L42 S187 W189 T195 T351 | A41-N191 PolarHBondContact O-ND2 3.37Å; L42-N191 WeakPolarHBondContact CA-ND2 3.27Å; L42-N191 PolarHBondContact N-ND2 2.76Å; S187-N191 WeakPolarHBondContact O-CB 3.44Å; S187-N191 PolarHBondContact O-N 3.44Å; W189-N191 VanDerWaalsContact C-N 3.35Å; W189-N191 PolarHBondContact O-N 3.3Å; N191-T195 WeakPolarHBondContact O-CB 3.33Å; N191-T195 PolarHBondContact O-N 2.84Å; N191-T195 PolarHBondContact O-OG1 3.4Å; N191-T351 WeakPolarHBondContact OD1-CG2 3.32Å |
| 192 | K | 88.4 | Confident | 87.7 | Confident | 82 Ų | 82 | 57.8 Ų | 57.8 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 177 | -176.3 | -174.9 | -56.9 | 175.1 | 0 | 112.6 | D38 A41 A188 W189 V190 A196 | D38-K192 WeakPolarHBondContact OD1-CE 3.45Å; D38-K192 IonicContact OD1-NZ 2.68Å; D38-K192 PolarHBondContact OD1-NZ 3.49Å; A41-K192 HydrophobicContact CB-CB 4.4Å; A188-K192 WeakPolarHBondContact O-CB 3.47Å; A188-K192 PolarHBondContact O-N 3.48Å; W189-K192 WeakPolarHBondContact O-CB 3.49Å; W189-K192 PolarHBondContact O-N 2.88Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.06Å; K192-A196 WeakPolarHBondContact O-CB 3.48Å; K192-A196 PolarHBondContact O-N 3.03Å |
| 193 | V | 91.1 | Very high | 88.3 | Confident | 58 Ų | 58 | 54 Ų | 54 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 178.4 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | W189 V190 T195 A196 V197 | W189-V193 HydrophobicContact CD2-CG2 4.38Å; W189-V193 HydrophobicContact CH2-CG2 4.23Å; W189-V193 HydrophobicContact CZ2-CG2 4.07Å; W189-V193 HydrophobicContact CZ3-CG2 4.46Å; W189-V193 PolarHBondContact O-N 3.35Å; V190-V193 PolarHBondContact O-N 3.06Å; V193-T195 VanDerWaalsContact C-N 3.35Å; V193-T195 PolarHBondContact O-N 3.34Å; V193-A196 WeakPolarHBondContact O-CB 3.38Å; V193-A196 PolarHBondContact O-N 2.94Å; V193-V197 WeakPolarHBondContact O-CG2 3.49Å; V193-V197 PolarHBondContact O-N 3.06Å |
| 194 | F | 91.3 | Very high | 89.1 | Confident | 69 Ų | 69 | 57 Ų | 57 | 30% | 0.303 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | -179.1 | -66.6 | -18.2 | 0 | 0 | 0 | 112.9 | V190 A196 V197 N198 C347 T351 | V190-F194 HydrophobicContact CG1-CD2 3.88Å; V190-F194 HydrophobicContact CG1-CE2 3.58Å; V190-F194 HydrophobicContact CG1-CZ 3.98Å; V190-F194 PolarHBondContact O-N 2.84Å; F194-A196 VanDerWaalsContact C-N 3.33Å; F194-A196 PolarHBondContact O-N 2.94Å; F194-V197 PolarHBondContact O-N 2.61Å; F194-N198 WeakPolarHBondContact O-CB 3.28Å; F194-N198 PolarHBondContact O-N 3.31Å; F194-C347 VanDerWaalsContact CA-SG 3.53Å; F194-C347 WeakPolarHBondContact CB-SG 3.27Å; F194-C347 WeakPolarHBondContact CD1-SG 3.44Å; F194-T351 HydrophobicContact CB-CG2 4.47Å; F194-T351 WeakPolarHBondContact CB-OG1 2.96Å |
| 195 | T | 91.8 | Very high | 90 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 173.2 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | A41 V44 N191 V193 N198 I199 T351 | A41-T195 HydrophobicContact CB-CG2 4.41Å; A41-T195 PolarHBondContact O-OG1 3.24Å; A41-T195 VanDerWaalsContact O-OG1 3.13Å; V44-T195 HydrophobicContact CB-CG2 3.98Å; V44-T195 HydrophobicContact CG1-CG2 3.83Å; N191-T195 WeakPolarHBondContact O-CB 3.33Å; N191-T195 PolarHBondContact O-N 2.84Å; N191-T195 PolarHBondContact O-OG1 3.4Å; V193-T195 VanDerWaalsContact C-N 3.35Å; V193-T195 PolarHBondContact O-N 3.34Å; T195-N198 WeakPolarHBondContact O-CB 3.37Å; T195-N198 PolarHBondContact O-N 3Å; T195-I199 HydrophobicContact CG2-CD1 4.09Å; T195-I199 HydrophobicContact CG2-CG1 4.49Å; T195-I199 WeakPolarHBondContact O-CG1 3.39Å; T195-I199 PolarHBondContact O-N 2.99Å; T195-T351 WeakPolarHBondContact OG1-CG2 2.92Å |
| 196 | A | 93.1 | Very high | 90.9 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K192 V193 F194 N198 I199 L200 | K192-A196 WeakPolarHBondContact O-CB 3.48Å; K192-A196 PolarHBondContact O-N 3.03Å; V193-A196 WeakPolarHBondContact O-CB 3.38Å; V193-A196 PolarHBondContact O-N 2.94Å; F194-A196 VanDerWaalsContact C-N 3.33Å; F194-A196 PolarHBondContact O-N 2.94Å; A196-N198 VanDerWaalsContact C-N 3.34Å; A196-N198 PolarHBondContact O-N 3.27Å; A196-I199 PolarHBondContact O-N 3.11Å; A196-L200 WeakPolarHBondContact O-CG 3.44Å; A196-L200 PolarHBondContact O-N 3.07Å; A196-L200 VanDerWaalsContact O-N 3.08Å |
| 197 | V | 93.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 111 | V193 F194 I199 L200 V201 C347 | V193-V197 WeakPolarHBondContact O-CG2 3.49Å; V193-V197 PolarHBondContact O-N 3.06Å; F194-V197 PolarHBondContact O-N 2.61Å; V197-I199 PolarHBondContact O-N 3.36Å; V197-L200 PolarHBondContact O-N 3.01Å; V197-V201 HydrophobicContact CG1-CG2 4.47Å; V197-V201 WeakPolarHBondContact O-CG2 3.13Å; V197-V201 PolarHBondContact O-N 3.28Å; V197-C347 HydrophobicContact CG1-CB 4.32Å |
| 198 | N | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 178.1 | -175.8 | 15.6 | 0 | 0 | 0 | 111.8 | L48 Y53 F194 T195 A196 L200 V201 L202 A348 | L48-N198 PolarHBondContact O-ND2 3.42Å; Y53-N198 WeakPolarHBondContact CE2-OD1 3.43Å; Y53-N198 PolarHBondContact OH-OD1 3Å; F194-N198 WeakPolarHBondContact O-CB 3.28Å; F194-N198 PolarHBondContact O-N 3.31Å; T195-N198 WeakPolarHBondContact O-CB 3.37Å; T195-N198 PolarHBondContact O-N 3Å; A196-N198 VanDerWaalsContact C-N 3.34Å; A196-N198 PolarHBondContact O-N 3.27Å; N198-L200 VanDerWaalsContact C-N 3.3Å; N198-L200 PolarHBondContact O-N 3.36Å; N198-V201 PolarHBondContact O-N 3.34Å; N198-L202 WeakPolarHBondContact O-CG 3.3Å; N198-L202 PolarHBondContact O-N 3.4Å; N198-L202 WeakPolarHBondContact OD1-CD1 3.01Å; N198-A348 HydrophobicContact CB-CB 4.07Å; N198-A348 WeakPolarHBondContact ND2-CB 3.41Å; N198-A348 VanDerWaalsContact OD1-CB 3.25Å; N198-A348 WeakPolarHBondContact OD1-CB 3.49Å |
| 199 | I | 94.1 | Very high | 92.7 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 30% | 0.303 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 177.9 | -66.8 | 168.9 | 0 | 0 | 0 | 111 | V44 T195 A196 V197 V201 L202 L203 | V44-I199 HydrophobicContact CG1-CD1 4.07Å; V44-I199 HydrophobicContact CG1-CG1 4.2Å; T195-I199 HydrophobicContact CG2-CD1 4.09Å; T195-I199 HydrophobicContact CG2-CG1 4.49Å; T195-I199 WeakPolarHBondContact O-CG1 3.39Å; T195-I199 PolarHBondContact O-N 2.99Å; A196-I199 PolarHBondContact O-N 3.11Å; V197-I199 PolarHBondContact O-N 3.36Å; I199-V201 PolarHBondContact O-N 2.9Å; I199-L202 PolarHBondContact O-N 3.22Å; I199-L203 HydrophobicContact CG2-CD1 3.98Å; I199-L203 HydrophobicContact CG2-CG 4.42Å; I199-L203 WeakPolarHBondContact O-CB 3.38Å; I199-L203 VanDerWaalsContact O-CG 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.41Å; I199-L203 PolarHBondContact O-N 3.43Å |
| 200 | L | 95.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 46 Ų | 46 | 62% | 0.623 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62 | -42.1 | 177.9 | -72.2 | 170.5 | 0 | 0 | 0 | 112.2 | A196 V197 N198 L203 F204 | A196-L200 WeakPolarHBondContact O-CG 3.44Å; A196-L200 PolarHBondContact O-N 3.07Å; A196-L200 VanDerWaalsContact O-N 3.08Å; V197-L200 PolarHBondContact O-N 3.01Å; N198-L200 VanDerWaalsContact C-N 3.3Å; N198-L200 PolarHBondContact O-N 3.36Å; L200-L203 PolarHBondContact O-N 3.48Å; L200-F204 PolarHBondContact O-N 3.35Å |
| 201 | V | 95 | Very high | 93.5 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | V197 N198 I199 L203 F204 V205 | V197-V201 HydrophobicContact CG1-CG2 4.47Å; V197-V201 WeakPolarHBondContact O-CG2 3.13Å; V197-V201 PolarHBondContact O-N 3.28Å; N198-V201 PolarHBondContact O-N 3.34Å; I199-V201 PolarHBondContact O-N 2.9Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-L203 PolarHBondContact O-N 2.8Å; V201-F204 WeakPolarHBondContact O-CB 3.32Å; V201-F204 PolarHBondContact O-N 3.47Å; V201-V205 HydrophobicContact CG1-CG2 4.35Å; V201-V205 WeakPolarHBondContact O-CG2 3.45Å; V201-V205 PolarHBondContact O-N 3.13Å |
| 202 | L | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 176.9 | -66 | 169.8 | 0 | 0 | 0 | 111.8 | L48 V52 Y53 N198 I199 F204 V205 M206 A302 V306 | L48-L202 HydrophobicContact CB-CD1 4.48Å; L48-L202 HydrophobicContact CD1-CD1 3.72Å; L48-L202 HydrophobicContact CD2-CD1 4.37Å; L48-L202 HydrophobicContact CG-CD1 4.43Å; V52-L202 HydrophobicContact CG1-CD1 4.47Å; V52-L202 HydrophobicContact CG1-CD2 3.93Å; V52-L202 HydrophobicContact CG2-CD2 4.06Å; Y53-L202 HydrophobicContact CE1-CD2 4.13Å; Y53-L202 HydrophobicContact CE2-CD2 3.99Å; Y53-L202 WeakPolarHBondContact OH-CD2 3.43Å; Y53-L202 WeakPolarHBondContact OH-CG 3.49Å; N198-L202 WeakPolarHBondContact O-CG 3.3Å; N198-L202 PolarHBondContact O-N 3.4Å; N198-L202 WeakPolarHBondContact OD1-CD1 3.01Å; I199-L202 PolarHBondContact O-N 3.22Å; L202-F204 VanDerWaalsContact C-N 3.34Å; L202-V205 PolarHBondContact O-N 2.83Å; L202-M206 WeakPolarHBondContact O-CE 3.31Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 3.35Å; L202-A302 HydrophobicContact CD1-CB 4.19Å; L202-V306 HydrophobicContact CB-CG2 4.41Å; L202-V306 HydrophobicContact CD2-CG2 3.92Å |
| 203 | L | 95.9 | Very high | 94 | Very high | 88 Ų | 88 | 50.4 Ų | 50.4 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 171.5 | -75 | 167.9 | 0 | 0 | 0 | 111.5 | I199 L200 V201 M206 V207 | I199-L203 HydrophobicContact CG2-CD1 3.98Å; I199-L203 HydrophobicContact CG2-CG 4.42Å; I199-L203 WeakPolarHBondContact O-CB 3.38Å; I199-L203 VanDerWaalsContact O-CG 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.41Å; I199-L203 PolarHBondContact O-N 3.43Å; L200-L203 PolarHBondContact O-N 3.48Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-L203 PolarHBondContact O-N 2.8Å; L203-M206 HydrophobicContact CD2-CE 3.83Å; L203-M206 HydrophobicContact CG-CE 4.3Å; L203-M206 PolarHBondContact O-N 3.03Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.41Å |
| 204 | F | 95.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 52 Ų | 52 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.5 | 168.4 | -99.8 | 0 | 0 | 0 | 112 | L200 V201 L202 M206 V207 A208 F329 A337 V341 | L200-F204 PolarHBondContact O-N 3.35Å; V201-F204 WeakPolarHBondContact O-CB 3.32Å; V201-F204 PolarHBondContact O-N 3.47Å; L202-F204 VanDerWaalsContact C-N 3.34Å; F204-M206 PolarHBondContact O-N 3.48Å; F204-V207 PolarHBondContact O-N 3.3Å; F204-A208 HydrophobicContact CE2-CB 4.37Å; F204-A208 HydrophobicContact CZ-CB 4.35Å; F204-A208 WeakPolarHBondContact O-CB 3.12Å; F204-A208 PolarHBondContact O-N 2.91Å; F204-F329 HydrophobicContact CE1-CE1 4.47Å; F204-F329 HydrophobicContact CE1-CZ 4.37Å; F204-A337 HydrophobicContact CE1-CB 3.98Å; F204-A337 HydrophobicContact CZ-CB 3.82Å; F204-V341 HydrophobicContact CD1-CG2 4.13Å; F204-V341 HydrophobicContact CE1-CG2 3.97Å |
| 205 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 177.8 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | V201 L202 G209 V306 L325 F329 V341 | V201-V205 HydrophobicContact CG1-CG2 4.35Å; V201-V205 WeakPolarHBondContact O-CG2 3.45Å; V201-V205 PolarHBondContact O-N 3.13Å; L202-V205 PolarHBondContact O-N 2.83Å; V205-G209 WeakPolarHBondContact O-CA 3.32Å; V205-G209 PolarHBondContact O-N 3.28Å; V205-V306 HydrophobicContact CG1-CG1 4.01Å; V205-V306 HydrophobicContact CG1-CG2 4.19Å; V205-L325 HydrophobicContact CG1-CD2 3.62Å; V205-F329 HydrophobicContact CB-CE2 4.48Å; V205-F329 HydrophobicContact CG1-CE2 4.3Å; V205-F329 HydrophobicContact CG2-CE2 4.03Å; V205-F329 HydrophobicContact CG2-CZ 4.47Å; V205-V341 HydrophobicContact CG2-CG1 4.04Å; V205-V341 HydrophobicContact CG2-CG2 3.64Å |
| 206 | M | 95.6 | Very high | 94.3 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 15% | 0.148 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -52.2 | 179.2 | -73.2 | -175.6 | -72.5 | 0 | 0 | 111.2 | L202 L203 F204 G209 F210 V306 | L202-M206 WeakPolarHBondContact O-CE 3.31Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 3.35Å; L203-M206 HydrophobicContact CD2-CE 3.83Å; L203-M206 HydrophobicContact CG-CE 4.3Å; L203-M206 PolarHBondContact O-N 3.03Å; F204-M206 PolarHBondContact O-N 3.48Å; M206-G209 PolarHBondContact O-N 3.19Å; M206-F210 WeakPolarHBondContact O-CD2 3.3Å; M206-F210 PolarHBondContact O-N 2.8Å; M206-V306 HydrophobicContact CG-CG2 3.6Å; M206-V306 HydrophobicContact SD-CG2 4.27Å |
| 207 | V | 95.5 | Very high | 94.2 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 58% | 0.582 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.1 | -49.8 | -178.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L203 F204 G209 F210 V211 | L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.41Å; F204-V207 PolarHBondContact O-N 3.3Å; V207-G209 VanDerWaalsContact C-N 3.34Å; V207-G209 PolarHBondContact O-N 3.22Å; V207-F210 PolarHBondContact O-N 3.05Å; V207-V211 VanDerWaalsContact O-CG2 3.26Å; V207-V211 WeakPolarHBondContact O-CG2 3.39Å; V207-V211 PolarHBondContact O-N 3.35Å; V207-V211 VanDerWaalsContact O-N 3.1Å |
| 208 | A | 94.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F204 V211 K212 F329 W334 | F204-A208 HydrophobicContact CE2-CB 4.37Å; F204-A208 HydrophobicContact CZ-CB 4.35Å; F204-A208 WeakPolarHBondContact O-CB 3.12Å; F204-A208 PolarHBondContact O-N 2.91Å; A208-V211 PolarHBondContact O-N 2.82Å; A208-K212 PolarHBondContact O-N 3.32Å; A208-F329 HydrophobicContact CB-CE1 3.7Å; A208-F329 HydrophobicContact CB-CZ 3.89Å; A208-W334 HydrophobicContact CB-CE3 4.25Å; A208-W334 HydrophobicContact CB-CZ3 3.68Å |
| 209 | G | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.6 | -33.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V205 M206 V207 G213 M313 | V205-G209 WeakPolarHBondContact O-CA 3.32Å; V205-G209 PolarHBondContact O-N 3.28Å; M206-G209 PolarHBondContact O-N 3.19Å; V207-G209 VanDerWaalsContact C-N 3.34Å; V207-G209 PolarHBondContact O-N 3.22Å; G209-G213 WeakPolarHBondContact O-CA 3.3Å; G209-G213 PolarHBondContact O-N 3.32Å; G209-M313 WeakPolarHBondContact CA-SD 3.36Å |
| 210 | F | 95 | Very high | 94 | Very high | 113 Ų | 113 | 60.2 Ų | 60.2 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.3 | -32.6 | 169.6 | -75.6 | -60.7 | 0 | 0 | 0 | 112.7 | M206 V207 A308 L312 | M206-F210 WeakPolarHBondContact O-CD2 3.3Å; M206-F210 PolarHBondContact O-N 2.8Å; V207-F210 PolarHBondContact O-N 3.05Å; F210-A308 HydrophobicContact CE1-CB 4.16Å; F210-A308 HydrophobicContact CZ-CB 3.95Å; F210-L312 HydrophobicContact CD1-CD1 3.89Å; F210-L312 HydrophobicContact CE1-CD1 3.85Å |
| 211 | V | 94.7 | Very high | 93.6 | Very high | 103 Ų | 103 | 57.6 Ų | 57.6 | 62% | 0.624 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71 | -36.8 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | V207 A208 | V207-V211 VanDerWaalsContact O-CG2 3.26Å; V207-V211 WeakPolarHBondContact O-CG2 3.39Å; V207-V211 PolarHBondContact O-N 3.35Å; V207-V211 VanDerWaalsContact O-N 3.1Å; A208-V211 PolarHBondContact O-N 2.82Å |
| 212 | K | 93.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 39% | 0.391 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -97.1 | -8.1 | -179.9 | -71.4 | -61.8 | -169 | 175 | 0 | 114.7 | A208 V332 W334 | A208-K212 PolarHBondContact O-N 3.32Å; K212-V332 HydrophobicContact CB-CB 4.31Å; K212-V332 HydrophobicContact CB-CG1 4.39Å; K212-V332 HydrophobicContact CB-CG2 4.34Å; K212-V332 HydrophobicContact CG-CG2 4.41Å; K212-W334 HydrophobicContact CG-CZ2 4.45Å |
| 213 | G | 92.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | trans | -68.7 | 142.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G209 L312 | G209-G213 WeakPolarHBondContact O-CA 3.3Å; G209-G213 PolarHBondContact O-N 3.32Å; G213-L312 WeakPolarHBondContact CA-O 3.48Å | ||
| 214 | N | 93.6 | Very high | 92 | Very high | 92 Ų | 92 | 68.8 Ų | 68.8 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | trans | -119.5 | 121.3 | 175.5 | -171 | -12.7 | 0 | 0 | 0 | 110.5 | A216 N217 L312 | N214-A216 PolarHBondContact O-N 3.15Å; N214-A216 VanDerWaalsContact O-N 3.12Å; N214-A216 VanDerWaalsContact OD1-CB 3.27Å; N214-A216 WeakPolarHBondContact OD1-CB 3.27Å; N214-A216 PolarHBondContact OD1-N 2.97Å; N214-N217 WeakPolarHBondContact O-CB 3.27Å; N214-N217 PolarHBondContact O-N 2.65Å; N214-L312 PolarHBondContact N-O 2.7Å | ||
| 215 | V | 93.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 53% | 0.527 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -62.6 | -19.8 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | N217 W218 L312 | V215-N217 PolarHBondContact O-N 3.37Å; V215-W218 PolarHBondContact O-N 3.33Å; V215-W218 VanDerWaalsContact O-N 3.08Å; V215-L312 HydrophobicContact CG2-CD2 4.34Å |
| 216 | A | 92.6 | Very high | 90.8 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.7 | -30.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N214 W218 K219 | N214-A216 PolarHBondContact O-N 3.15Å; N214-A216 VanDerWaalsContact O-N 3.12Å; N214-A216 VanDerWaalsContact OD1-CB 3.27Å; N214-A216 WeakPolarHBondContact OD1-CB 3.27Å; N214-A216 PolarHBondContact OD1-N 2.97Å; A216-W218 PolarHBondContact O-N 3.19Å; A216-W218 VanDerWaalsContact O-N 3.15Å; A216-K219 PolarHBondContact O-N 3.39Å |
| 217 | N | 92.6 | Very high | 90.1 | Very high | 23 Ų | 23 | 73.3 Ų | 73.3 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -65.6 | -15.9 | 178 | -68.3 | -21.3 | 0 | 0 | 0 | 113.2 | N214 V215 I220 T311 L312 | N214-N217 WeakPolarHBondContact O-CB 3.27Å; N214-N217 PolarHBondContact O-N 2.65Å; V215-N217 PolarHBondContact O-N 3.37Å; N217-I220 WeakPolarHBondContact O-CD1 3.4Å; N217-I220 WeakPolarHBondContact O-CG1 3.26Å; N217-T311 WeakPolarHBondContact CB-O 3.34Å; N217-L312 PolarHBondContact ND2-O 3.03Å |
| 218 | W | 93.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -95.4 | -3.5 | 173.5 | -69.4 | 8.2 | 0 | 0 | 0 | 113.5 | P66 V69 V215 A216 G248 F249 T311 L312 | P66-W218 HydrophobicContact CB-CB 4.45Å; P66-W218 HydrophobicContact CB-CD2 4.27Å; P66-W218 HydrophobicContact CB-CG 3.86Å; P66-W218 HydrophobicContact CG-CG 4.27Å; V69-W218 HydrophobicContact CG2-CZ2 4.46Å; V215-W218 PolarHBondContact O-N 3.33Å; V215-W218 VanDerWaalsContact O-N 3.08Å; A216-W218 PolarHBondContact O-N 3.19Å; A216-W218 VanDerWaalsContact O-N 3.15Å; W218-G248 CarbonylContact O-C 3.6Å; W218-G248 WeakPolarHBondContact O-CA 3.27Å; W218-F249 AromaticContact CD2-CD2 3.94Å; W218-F249 HydrophobicContact CD2-CD2 3.94Å; W218-F249 HydrophobicContact CD2-CE2 4.06Å; W218-F249 AromaticContact CE3-CD2 3.75Å; W218-F249 HydrophobicContact CE3-CD2 3.75Å; W218-F249 AromaticContact CE3-CE2 3.77Å; W218-F249 HydrophobicContact CE3-CE2 3.77Å; W218-F249 HydrophobicContact CG-CD2 4.31Å; W218-F249 HydrophobicContact CH2-CE2 4.09Å; W218-F249 HydrophobicContact CZ2-CE2 4.35Å; W218-F249 HydrophobicContact CZ3-CD2 4.24Å; W218-F249 AromaticContact CZ3-CE2 3.79Å; W218-F249 HydrophobicContact CZ3-CE2 3.79Å; W218-F249 PolarHBondContact O-N 3.35Å; W218-F249 VanDerWaalsContact O-N 3.15Å; W218-T311 PolarHBondContact NE1-OG1 2.95Å; W218-T311 VanDerWaalsContact NE1-OG1 3.15Å; W218-L312 HydrophobicContact CD2-CD2 3.98Å; W218-L312 HydrophobicContact CG-CD2 4.27Å; W218-L312 HydrophobicContact CZ2-CD1 4.32Å; W218-L312 HydrophobicContact CZ2-CD2 4.03Å; W218-L312 HydrophobicContact CZ2-CG 3.9Å |
| 219 | K | 91.9 | Very high | 88.2 | Confident | 166 Ų | 166 | 70.9 Ų | 70.9 | 72% | 0.722 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -122.1 | 31.8 | -176.3 | -63.5 | -174.7 | -179.8 | -179.3 | 0 | 112.4 | A216 S221 | A216-K219 PolarHBondContact O-N 3.39Å; K219-S221 PolarHBondContact O-N 3.49Å |
| 220 | I | 89.4 | Confident | 87 | Confident | 21 Ų | 21 | 73.3 Ų | 73.3 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | trans | -66.8 | 130 | -178.8 | -54.7 | -177.4 | 0 | 0 | 0 | 109.5 | N217 F224 L225 G247 G248 P315 Y316 Y317 | N217-I220 WeakPolarHBondContact O-CD1 3.4Å; N217-I220 WeakPolarHBondContact O-CG1 3.26Å; I220-F224 HydrophobicContact CG2-CD1 3.8Å; I220-F224 HydrophobicContact CG2-CE1 4.39Å; I220-L225 HydrophobicContact CG2-CD1 4.28Å; I220-L225 HydrophobicContact CG2-CD2 4.08Å; I220-L225 HydrophobicContact CG2-CG 3.96Å; I220-G247 CarbonylContact O-C 3.47Å; I220-G247 WeakPolarHBondContact O-CA 3.33Å; I220-G248 PolarHBondContact O-N 3.39Å; I220-P315 HydrophobicContact CD1-CB 3.98Å; I220-Y316 HydrophobicContact CD1-CD1 4.28Å; I220-Y316 HydrophobicContact CD1-CE1 4.15Å; I220-Y317 HydrophobicContact CD1-CD1 4.29Å; I220-Y317 HydrophobicContact CD1-CE1 3.88Å | ||
| 221 | S | 87.2 | Confident | 85.6 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | trans | -79.4 | 148.5 | -178.5 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | K219 E223 F224 L225 | K219-S221 PolarHBondContact O-N 3.49Å; S221-E223 VanDerWaalsContact C-N 3.3Å; S221-E223 PolarHBondContact O-N 3.27Å; S221-F224 PolarHBondContact O-N 3.01Å; S221-F224 WeakPolarHBondContact OG-CB 3.33Å; S221-L225 PolarHBondContact O-N 3.19Å | ||
| 222 | E | 84.4 | Confident | 84.2 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 177.2 | -169.9 | 178.2 | 163 | 0 | 0 | 112.2 | F224 L225 K226 A246 | E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.43Å; E222-L225 PolarHBondContact O-N 3.49Å; E222-K226 HydrophobicContact CG-CD 4.33Å; E222-K226 WeakPolarHBondContact O-CG 3.35Å; E222-K226 PolarHBondContact O-N 2.94Å; E222-K226 WeakPolarHBondContact OE1-CE 3.4Å; E222-K226 IonicContact OE1-NZ 2.69Å; E222-K226 PolarHBondContact OE1-NZ 2.91Å; E222-A246 WeakPolarHBondContact CB-O 3.49Å |
| 223 | E | 81.6 | Confident | 82.6 | Confident | 160 Ų | 160 | 71 Ų | 71 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 179.6 | -66.5 | -179.7 | 177.4 | 0 | 0 | 112.3 | S221 L225 K226 N227 | S221-E223 VanDerWaalsContact C-N 3.3Å; S221-E223 PolarHBondContact O-N 3.27Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 3.04Å; E223-K226 PolarHBondContact O-N 2.9Å; E223-N227 PolarHBondContact O-N 3.38Å |
| 224 | F | 84.4 | Confident | 80.5 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.5 | 176.3 | -101.9 | 0 | 0 | 0 | 111.3 | I220 S221 E222 N227 I228 Y317 | I220-F224 HydrophobicContact CG2-CD1 3.8Å; I220-F224 HydrophobicContact CG2-CE1 4.39Å; S221-F224 PolarHBondContact O-N 3.01Å; S221-F224 WeakPolarHBondContact OG-CB 3.33Å; E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.43Å; F224-N227 PolarHBondContact O-N 3.23Å; F224-I228 HydrophobicContact CD1-CD1 3.78Å; F224-I228 HydrophobicContact CE1-CD1 3.25Å; F224-I228 HydrophobicContact CE1-CG1 4.43Å; F224-I228 HydrophobicContact CE2-CD1 4.12Å; F224-I228 HydrophobicContact CG-CD1 4.42Å; F224-I228 HydrophobicContact CZ-CD1 3.46Å; F224-I228 VanDerWaalsContact CZ-CD1 3.46Å; F224-I228 HydrophobicContact CZ-CG1 4.43Å; F224-I228 WeakPolarHBondContact O-CG1 3.44Å; F224-I228 PolarHBondContact O-N 3.32Å; F224-Y317 HydrophobicContact CE1-CE1 4.4Å; F224-Y317 WeakPolarHBondContact CE1-OH 3.38Å |
| 225 | L | 83.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68 | -38.7 | 177.5 | -66.7 | 173.5 | 0 | 0 | 0 | 112.4 | I220 S221 E222 E223 N227 I228 S229 Y316 Y317 | I220-L225 HydrophobicContact CG2-CD1 4.28Å; I220-L225 HydrophobicContact CG2-CD2 4.08Å; I220-L225 HydrophobicContact CG2-CG 3.96Å; S221-L225 PolarHBondContact O-N 3.19Å; E222-L225 PolarHBondContact O-N 3.49Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 3.04Å; L225-N227 VanDerWaalsContact C-N 3.34Å; L225-N227 PolarHBondContact O-N 2.87Å; L225-I228 PolarHBondContact O-N 3.05Å; L225-S229 WeakPolarHBondContact O-CB 3.2Å; L225-S229 PolarHBondContact O-N 3.42Å; L225-S229 PolarHBondContact O-OG 3.08Å; L225-Y316 WeakPolarHBondContact CD1-OH 3.05Å; L225-Y317 HydrophobicContact CD2-CD1 3.82Å; L225-Y317 HydrophobicContact CD2-CE1 4.09Å; L225-Y317 HydrophobicContact CD2-CG 4.3Å |
| 226 | K | 81.9 | Confident | 76.6 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 36% | 0.357 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 173.2 | -77.7 | 176.7 | 179.3 | 164.3 | 0 | 110.8 | E222 E223 I228 S229 A230 | E222-K226 HydrophobicContact CG-CD 4.33Å; E222-K226 WeakPolarHBondContact O-CG 3.35Å; E222-K226 PolarHBondContact O-N 2.94Å; E222-K226 WeakPolarHBondContact OE1-CE 3.4Å; E222-K226 IonicContact OE1-NZ 2.69Å; E222-K226 PolarHBondContact OE1-NZ 2.91Å; E223-K226 PolarHBondContact O-N 2.9Å; K226-I228 PolarHBondContact O-N 2.89Å; K226-S229 WeakPolarHBondContact CA-OG 3.32Å; K226-S229 PolarHBondContact O-N 2.94Å; K226-S229 PolarHBondContact O-OG 3.43Å; K226-A230 WeakPolarHBondContact O-CB 3.27Å; K226-A230 PolarHBondContact O-N 3.14Å |
| 227 | N | 81.1 | Confident | 74.7 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 177.7 | -166.6 | 21.7 | 0 | 0 | 0 | 112.2 | E223 F224 L225 A230 S231 | E223-N227 PolarHBondContact O-N 3.38Å; F224-N227 PolarHBondContact O-N 3.23Å; L225-N227 VanDerWaalsContact C-N 3.34Å; L225-N227 PolarHBondContact O-N 2.87Å; N227-A230 PolarHBondContact O-N 2.87Å; N227-S231 PolarHBondContact O-N 3.26Å |
| 228 | I | 78.5 | Confident | 72.7 | Confident | 44 Ų | 44 | 89.8 Ų | 89.8 | 23% | 0.226 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 174.9 | -68.6 | 173.6 | 0 | 0 | 0 | 111 | F224 L225 K226 A230 S231 A232 Y317 | F224-I228 HydrophobicContact CD1-CD1 3.78Å; F224-I228 HydrophobicContact CE1-CD1 3.25Å; F224-I228 HydrophobicContact CE1-CG1 4.43Å; F224-I228 HydrophobicContact CE2-CD1 4.12Å; F224-I228 HydrophobicContact CG-CD1 4.42Å; F224-I228 HydrophobicContact CZ-CD1 3.46Å; F224-I228 VanDerWaalsContact CZ-CD1 3.46Å; F224-I228 HydrophobicContact CZ-CG1 4.43Å; F224-I228 WeakPolarHBondContact O-CG1 3.44Å; F224-I228 PolarHBondContact O-N 3.32Å; L225-I228 PolarHBondContact O-N 3.05Å; K226-I228 PolarHBondContact O-N 2.89Å; I228-A230 VanDerWaalsContact C-N 3.28Å; I228-A230 PolarHBondContact O-N 3.39Å; I228-S231 PolarHBondContact O-N 3.01Å; I228-S231 VanDerWaalsContact O-N 3.13Å; I228-S231 PolarHBondContact O-OG 3.26Å; I228-A232 PolarHBondContact O-N 2.92Å; I228-A232 VanDerWaalsContact O-N 3.09Å; I228-Y317 HydrophobicContact CD1-CE2 4.06Å |
| 229 | S | 72.9 | Confident | 71 | Confident | 5 Ų | 5 | 94.6 Ų | 94.6 | 4% | 0.035 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.4 | -30.5 | -179 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | L225 K226 A232 R233 | L225-S229 WeakPolarHBondContact O-CB 3.2Å; L225-S229 PolarHBondContact O-N 3.42Å; L225-S229 PolarHBondContact O-OG 3.08Å; K226-S229 WeakPolarHBondContact CA-OG 3.32Å; K226-S229 PolarHBondContact O-N 2.94Å; K226-S229 PolarHBondContact O-OG 3.43Å; S229-A232 PolarHBondContact O-N 3.3Å; S229-R233 PolarHBondContact O-N 2.98Å; S229-R233 VanDerWaalsContact O-N 3.15Å |
| 230 | A | 68.8 | Low | 69.3 | Low | 51 Ų | 51 | 87.8 Ų | 87.8 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K226 N227 I228 A232 R233 | K226-A230 WeakPolarHBondContact O-CB 3.27Å; K226-A230 PolarHBondContact O-N 3.14Å; N227-A230 PolarHBondContact O-N 2.87Å; I228-A230 VanDerWaalsContact C-N 3.28Å; I228-A230 PolarHBondContact O-N 3.39Å; A230-A232 VanDerWaalsContact C-N 3.25Å; A230-A232 PolarHBondContact O-N 3.22Å; A230-R233 PolarHBondContact O-N 3.11Å |
| 231 | S | 64.5 | Low | 68 | Low | 101 Ų | 101 | 92.1 Ų | 92.1 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -21.9 | 173.3 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | N227 I228 | N227-S231 PolarHBondContact O-N 3.26Å; I228-S231 PolarHBondContact O-N 3.01Å; I228-S231 VanDerWaalsContact O-N 3.13Å; I228-S231 PolarHBondContact O-OG 3.26Å |
| 232 | A | 65 | Low | 67.2 | Low | 71 Ų | 71 | 89.6 Ų | 89.6 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -93.4 | -14 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | I228 S229 A230 | I228-A232 PolarHBondContact O-N 2.92Å; I228-A232 VanDerWaalsContact O-N 3.09Å; S229-A232 PolarHBondContact O-N 3.3Å; A230-A232 VanDerWaalsContact C-N 3.25Å; A230-A232 PolarHBondContact O-N 3.22Å |
| 233 | R | 60.1 | Low | 66.8 | Low | 85 Ų | 85 | 89.3 Ų | 89.3 | 32% | 0.321 | 50% | 0.496 | S | S | . | . | trans | -103.9 | 119 | 179.8 | -80.2 | -179.6 | 174 | 152.2 | -0.7 | 111 | S229 A230 T241 | S229-R233 PolarHBondContact O-N 2.98Å; S229-R233 VanDerWaalsContact O-N 3.15Å; A230-R233 PolarHBondContact O-N 3.11Å; R233-T241 PolarHBondContact NH1-O 3.28Å | ||
| 234 | E | 49.2 | Very low | 66.8 | Low | 199 Ų | 199 | 84.4 Ų | 84.4 | 93% | 0.93 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -108.6 | 113.8 | 156 | -70.1 | -168.6 | 167.5 | 0 | 0 | 108.5 | ||
| 235 | P | 52.1 | Low | 66.8 | Low | 110 Ų | 110 | 80.6 Ų | 80.6 | 71% | 0.714 | 46% | 0.459 | S | S | * | . | S | Bend | cis | -93.1 | 161.4 | 2.6 | 36.1 | -31.6 | 0 | 0 | 0 | 114.3 | S237 | P235-S237 PolarHBondContact O-N 3Š|
| 236 | P | 52.7 | Low | 66.8 | Low | 99 Ų | 99 | 83 Ų | 83 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 125.6 | 179.1 | 27.7 | -32.6 | 0 | 0 | 0 | 111.5 | ||
| 237 | S | 52 | Low | 66.9 | Low | 68 Ų | 68 | 79.5 Ų | 79.5 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 123.7 | 173.4 | 55 | 0 | 0 | 0 | 0 | 111 | P235 N239 G240 | P235-S237 PolarHBondContact O-N 3Å; S237-N239 PolarHBondContact O-N 3.28Å; S237-N239 VanDerWaalsContact O-N 3.12Å; S237-G240 PolarHBondContact O-N 2.97Å |
| 238 | E | 51.7 | Low | 67.4 | Low | 200 Ų | 200 | 74.9 Ų | 74.9 | 94% | 0.935 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | -175.6 | -70.8 | -177 | 152 | 0 | 0 | 114.7 | ||
| 239 | N | 57.3 | Low | 68.1 | Low | 163 Ų | 163 | 76 Ų | 76 | 87% | 0.872 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 24.1 | 178.4 | -76 | -20.7 | 0 | 0 | 0 | 113.6 | S237 T241 | S237-N239 PolarHBondContact O-N 3.28Å; S237-N239 VanDerWaalsContact O-N 3.12Å; N239-T241 PolarHBondContact O-N 3.2Å; N239-T241 VanDerWaalsContact O-N 3.08Å |
| 240 | G | 56.4 | Low | 69.1 | Low | 24 Ų | 24 | 79.4 Ų | 79.4 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | trans | -63.5 | 104.7 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S237 | S237-G240 PolarHBondContact O-N 2.97Š| ||
| 241 | T | 62.3 | Low | 70.2 | Confident | 112 Ų | 112 | 77.2 Ų | 77.2 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | trans | -59.6 | 135.4 | 152.6 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | R233 N239 | R233-T241 PolarHBondContact NH1-O 3.28Å; N239-T241 PolarHBondContact O-N 3.2Å; N239-T241 VanDerWaalsContact O-N 3.08Å | ||
| 242 | S | 70 | Confident | 71.4 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 8% | 0.084 | 43% | 0.425 | C | S | . | . | trans | -62 | 135.4 | 174.5 | 148 | 0 | 0 | 0 | 0 | 109.4 | Y244 G245 | S242-Y244 PolarHBondContact O-N 2.93Å; S242-Y244 PolarHBondContact OG-N 3Å; S242-G245 WeakPolarHBondContact CB-O 3.4Å; S242-G245 PolarHBondContact O-N 2.93Å; S242-G245 PolarHBondContact OG-N 2.66Å; S242-G245 PolarHBondContact OG-O 2.91Å | ||
| 243 | I | 76.5 | Confident | 72.5 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 39% | 0.39 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.5 | 173.9 | 56.5 | 175 | 0 | 0 | 0 | 112.6 | ||
| 244 | Y | 81.3 | Confident | 73.8 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 22% | 0.224 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 16.9 | -179.2 | -57.6 | -62 | 0 | 0 | 0 | 112.5 | S242 Y316 | S242-Y244 PolarHBondContact O-N 2.93Å; S242-Y244 PolarHBondContact OG-N 3Å; Y244-Y316 WeakPolarHBondContact O-CE2 3.26Å; Y244-Y316 PolarHBondContact O-OH 3.44Å |
| 245 | G | 84.1 | Confident | 75.5 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -165.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S242 G247 P251 | S242-G245 WeakPolarHBondContact CB-O 3.4Å; S242-G245 PolarHBondContact O-N 2.93Å; S242-G245 PolarHBondContact OG-N 2.66Å; S242-G245 PolarHBondContact OG-O 2.91Å; G245-G247 VanDerWaalsContact C-N 3.34Å; G245-G247 PolarHBondContact O-N 3.45Å; G245-P251 WeakPolarHBondContact CA-O 3.46Å |
| 246 | A | 84.7 | Confident | 77.1 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -0.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E222 P251 | E222-A246 WeakPolarHBondContact CB-O 3.49Å; A246-P251 PolarHBondContact N-O 3.25Å |
| 247 | G | 84.6 | Confident | 78.9 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | trans | 74.8 | -167.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I220 G245 P251 | I220-G247 CarbonylContact O-C 3.47Å; I220-G247 WeakPolarHBondContact O-CA 3.33Å; G245-G247 VanDerWaalsContact C-N 3.34Å; G245-G247 PolarHBondContact O-N 3.45Å; G247-P251 VanDerWaalsContact O-CA 3.3Å; G247-P251 WeakPolarHBondContact O-CA 3.48Å | ||
| 248 | G | 90.3 | Very high | 80.5 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 69.8 | -155.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W218 I220 | W218-G248 CarbonylContact O-C 3.6Å; W218-G248 WeakPolarHBondContact O-CA 3.27Å; I220-G248 PolarHBondContact O-N 3.39Å |
| 249 | F | 93.6 | Very high | 82 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -76.5 | -32.4 | -177.8 | -175.1 | -107.4 | 0 | 0 | 0 | 112.7 | P66 S67 V70 W218 P251 | P66-F249 HydrophobicContact CB-CD2 3.67Å; P66-F249 HydrophobicContact CB-CE2 4.04Å; P66-F249 HydrophobicContact CB-CG 4.45Å; P66-F249 WeakPolarHBondContact O-CE2 3.49Å; S67-F249 WeakPolarHBondContact CB-O 3.39Å; S67-F249 PolarHBondContact N-O 3.45Å; V70-F249 HydrophobicContact CG2-CE1 3.96Å; V70-F249 HydrophobicContact CG2-CZ 4.13Å; W218-F249 AromaticContact CD2-CD2 3.94Å; W218-F249 HydrophobicContact CD2-CD2 3.94Å; W218-F249 HydrophobicContact CD2-CE2 4.06Å; W218-F249 AromaticContact CE3-CD2 3.75Å; W218-F249 HydrophobicContact CE3-CD2 3.75Å; W218-F249 AromaticContact CE3-CE2 3.77Å; W218-F249 HydrophobicContact CE3-CE2 3.77Å; W218-F249 HydrophobicContact CG-CD2 4.31Å; W218-F249 HydrophobicContact CH2-CE2 4.09Å; W218-F249 HydrophobicContact CZ2-CE2 4.35Å; W218-F249 HydrophobicContact CZ3-CD2 4.24Å; W218-F249 AromaticContact CZ3-CE2 3.79Å; W218-F249 HydrophobicContact CZ3-CE2 3.79Å; W218-F249 PolarHBondContact O-N 3.35Å; W218-F249 VanDerWaalsContact O-N 3.15Å; F249-P251 VanDerWaalsContact C-CD 3.47Å; F249-P251 WeakPolarHBondContact O-CD 3.34Å |
| 250 | M | 94.3 | Very high | 83.4 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | trans | -123.1 | 69.5 | -178.9 | -72.7 | 175.4 | 170.5 | 0 | 0 | 110.7 | Y252 G253 | M250-Y252 PolarHBondContact O-N 3.45Å; M250-G253 PolarHBondContact O-N 2.92Å | ||
| 251 | P | 91.1 | Very high | 84.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.9 | -174.6 | 22.4 | -32.8 | 0 | 0 | 0 | 113.8 | G245 A246 G247 F249 Y316 | G245-P251 WeakPolarHBondContact CA-O 3.46Å; A246-P251 PolarHBondContact N-O 3.25Å; G247-P251 VanDerWaalsContact O-CA 3.3Å; G247-P251 WeakPolarHBondContact O-CA 3.48Å; F249-P251 VanDerWaalsContact C-CD 3.47Å; F249-P251 WeakPolarHBondContact O-CD 3.34Å; P251-Y316 HydrophobicContact CB-CE1 4.44Å; P251-Y316 HydrophobicContact CB-CE2 4.22Å; P251-Y316 WeakPolarHBondContact CB-OH 3.36Å; P251-Y316 HydrophobicContact CG-CE1 4.2Å; P251-Y316 HydrophobicContact CG-CE2 3.93Å |
| 252 | Y | 89.7 | Confident | 85.8 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12.9 | 178.2 | -54.8 | -76.3 | 0 | 0 | 0 | 112.8 | K61 D63 M250 G256 Y316 | K61-Y252 PolarHBondContact O-OH 2.88Å; D63-Y252 WeakPolarHBondContact O-CB 3.42Å; D63-Y252 WeakPolarHBondContact O-CD2 3.08Å; D63-Y252 VanDerWaalsContact O-CG 3.23Å; M250-Y252 PolarHBondContact O-N 3.45Å; Y252-G256 PolarHBondContact O-N 3.18Å; Y252-Y316 HydrophobicContact CE2-CE2 4.19Å |
| 253 | G | 89.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 32% | 0.32 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | 66.6 | -170.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | M250 T255 G256 T257 | M250-G253 PolarHBondContact O-N 2.92Å; G253-T255 VanDerWaalsContact C-N 3.3Å; G253-T255 PolarHBondContact O-N 3.37Å; G253-G256 PolarHBondContact O-N 3.21Å; G253-T257 PolarHBondContact O-N 2.8Å; G253-T257 VanDerWaalsContact O-N 3.17Å; G253-T257 PolarHBondContact O-OG1 3.31Å |
| 254 | F | 86.4 | Confident | 87 | Confident | 131 Ų | 131 | 36.7 Ų | 36.7 | 58% | 0.575 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66.4 | -34.1 | 179.1 | -172.9 | -105.4 | 0 | 0 | 0 | 112.1 | T257 L258 | F254-T257 WeakPolarHBondContact O-CB 3.11Å; F254-T257 PolarHBondContact O-N 3.49Å; F254-L258 PolarHBondContact O-N 3.17Å |
| 255 | T | 84.6 | Confident | 87.3 | Confident | 115 Ų | 115 | 34 Ų | 34 | 71% | 0.706 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.5 | -44.9 | 176.8 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | G253 T257 L258 A259 | G253-T255 VanDerWaalsContact C-N 3.3Å; G253-T255 PolarHBondContact O-N 3.37Å; T255-T257 VanDerWaalsContact C-N 3.35Å; T255-L258 PolarHBondContact O-N 3.36Å; T255-A259 WeakPolarHBondContact O-CB 3.3Å; T255-A259 PolarHBondContact O-N 3.48Å |
| 256 | G | 86.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | D63 Y252 G253 L258 A259 G260 | D63-G256 CarbonylContact O-C 3.49Å; D63-G256 VanDerWaalsContact O-C 3.26Å; D63-G256 VanDerWaalsContact O-CA 3.23Å; D63-G256 WeakPolarHBondContact O-CA 3.41Å; Y252-G256 PolarHBondContact O-N 3.18Å; G253-G256 PolarHBondContact O-N 3.21Å; G256-L258 VanDerWaalsContact C-N 3.33Å; G256-L258 PolarHBondContact O-N 3.46Å; G256-A259 PolarHBondContact O-N 3.09Å; G256-G260 PolarHBondContact O-N 2.95Å |
| 257 | T | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 173.7 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | S67 V70 S71 G253 F254 T255 A261 | S67-T257 WeakPolarHBondContact CB-OG1 3.44Å; S67-T257 PolarHBondContact OG-OG1 2.84Å; V70-T257 HydrophobicContact CB-CG2 4.01Å; V70-T257 HydrophobicContact CG1-CG2 4.07Å; S71-T257 PolarHBondContact OG-O 2.87Å; G253-T257 PolarHBondContact O-N 2.8Å; G253-T257 VanDerWaalsContact O-N 3.17Å; G253-T257 PolarHBondContact O-OG1 3.31Å; F254-T257 WeakPolarHBondContact O-CB 3.11Å; F254-T257 PolarHBondContact O-N 3.49Å; T255-T257 VanDerWaalsContact C-N 3.35Å; T257-A261 PolarHBondContact O-N 2.96Å |
| 258 | L | 85.2 | Confident | 87.8 | Confident | 35 Ų | 35 | 31.5 Ų | 31.5 | 18% | 0.183 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.1 | -41 | 178.6 | -171 | 63.6 | 0 | 0 | 0 | 112.2 | F254 T255 G256 G260 A261 A262 Y574 | F254-L258 PolarHBondContact O-N 3.17Å; T255-L258 PolarHBondContact O-N 3.36Å; G256-L258 VanDerWaalsContact C-N 3.33Å; G256-L258 PolarHBondContact O-N 3.46Å; L258-G260 VanDerWaalsContact C-N 3.35Å; L258-A261 WeakPolarHBondContact O-CB 3.49Å; L258-A261 PolarHBondContact O-N 3.44Å; L258-A261 VanDerWaalsContact O-N 3.13Å; L258-A262 PolarHBondContact O-N 2.89Å; L258-A262 VanDerWaalsContact O-N 3.12Å; L258-Y574 HydrophobicContact CD1-CE1 4.49Å; L258-Y574 HydrophobicContact CD2-CE1 3.95Å; L258-Y574 VanDerWaalsContact CD2-OH 3.31Å; L258-Y574 WeakPolarHBondContact CD2-OH 3.5Å; L258-Y574 HydrophobicContact CG-CE1 4.42Å |
| 259 | A | 83.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 31 Ų | 31 | 29% | 0.289 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | T255 G256 A261 A262 T263 | T255-A259 WeakPolarHBondContact O-CB 3.3Å; T255-A259 PolarHBondContact O-N 3.48Å; G256-A259 PolarHBondContact O-N 3.09Å; A259-A261 VanDerWaalsContact C-N 3.27Å; A259-A261 PolarHBondContact O-N 3.4Å; A259-A262 WeakPolarHBondContact O-CB 3.45Å; A259-A262 PolarHBondContact O-N 3.24Å; A259-A262 VanDerWaalsContact O-N 3.11Å; A259-T263 PolarHBondContact O-N 2.93Å; A259-T263 PolarHBondContact O-OG1 3.28Å |
| 260 | G | 86.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -35.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G256 L258 A262 T263 C264 | G256-G260 PolarHBondContact O-N 2.95Å; L258-G260 VanDerWaalsContact C-N 3.35Å; G260-A262 VanDerWaalsContact C-N 3.34Å; G260-A262 PolarHBondContact O-N 3.33Å; G260-T263 PolarHBondContact O-N 3.47Å; G260-C264 VanDerWaalsContact O-CB 3.25Å; G260-C264 WeakPolarHBondContact O-CB 3.2Å; G260-C264 PolarHBondContact O-N 3.42Å; G260-C264 PolarHBondContact O-SG 3.02Å |
| 261 | A | 87.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I74 T257 L258 A259 C264 F265 | I74-A261 HydrophobicContact CB-CB 3.98Å; I74-A261 HydrophobicContact CG2-CB 3.92Å; T257-A261 PolarHBondContact O-N 2.96Å; L258-A261 WeakPolarHBondContact O-CB 3.49Å; L258-A261 PolarHBondContact O-N 3.44Å; L258-A261 VanDerWaalsContact O-N 3.13Å; A259-A261 VanDerWaalsContact C-N 3.27Å; A259-A261 PolarHBondContact O-N 3.4Å; A261-C264 PolarHBondContact O-N 2.79Å; A261-F265 PolarHBondContact O-N 2.86Å |
| 262 | A | 81.8 | Confident | 87.5 | Confident | 17 Ų | 17 | 24.4 Ų | 24.4 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L258 A259 G260 F265 L575 | L258-A262 PolarHBondContact O-N 2.89Å; L258-A262 VanDerWaalsContact O-N 3.12Å; A259-A262 WeakPolarHBondContact O-CB 3.45Å; A259-A262 PolarHBondContact O-N 3.24Å; A259-A262 VanDerWaalsContact O-N 3.11Å; G260-A262 VanDerWaalsContact C-N 3.34Å; G260-A262 PolarHBondContact O-N 3.33Å; A262-F265 VanDerWaalsContact O-CB 3.27Å; A262-F265 WeakPolarHBondContact O-CB 3.38Å; A262-F265 PolarHBondContact O-N 3.42Å; A262-L575 HydrophobicContact CB-CD2 3.7Å |
| 263 | T | 83.9 | Confident | 87.5 | Confident | 34 Ų | 34 | 21.6 Ų | 21.6 | 21% | 0.209 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 176 | -46.3 | 0 | 0 | 0 | 0 | 111.4 | L55 V59 A259 G260 F265 Y266 | L55-T263 HydrophobicContact CD1-CG2 3.81Å; L55-T263 HydrophobicContact CD2-CG2 4.22Å; L55-T263 HydrophobicContact CG-CG2 4.35Å; V59-T263 HydrophobicContact CG2-CG2 3.62Å; A259-T263 PolarHBondContact O-N 2.93Å; A259-T263 PolarHBondContact O-OG1 3.28Å; G260-T263 PolarHBondContact O-N 3.47Å; T263-F265 PolarHBondContact O-N 3.39Å; T263-F265 VanDerWaalsContact O-N 3.16Å; T263-Y266 VanDerWaalsContact O-CB 3.24Å; T263-Y266 WeakPolarHBondContact O-CB 3.42Å; T263-Y266 PolarHBondContact O-N 3.41Å; T263-Y266 VanDerWaalsContact O-N 3.12Å |
| 264 | C | 88.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -22.5 | 176.5 | -76.1 | 0 | 0 | 0 | 0 | 113.5 | F72 A75 G260 A261 Y266 A267 | F72-C264 HydrophobicContact CD1-CB 3.79Å; F72-C264 HydrophobicContact CE1-CB 3.74Å; F72-C264 HydrophobicContact CG-CB 4.31Å; F72-C264 HydrophobicContact CZ-CB 4.22Å; F72-C264 VanDerWaalsContact CZ-SG 3.57Å; A75-C264 HydrophobicContact CB-CB 4.04Å; G260-C264 VanDerWaalsContact O-CB 3.25Å; G260-C264 WeakPolarHBondContact O-CB 3.2Å; G260-C264 PolarHBondContact O-N 3.42Å; G260-C264 PolarHBondContact O-SG 3.02Å; A261-C264 PolarHBondContact O-N 2.79Å; C264-Y266 PolarHBondContact O-N 3.22Å; C264-A267 WeakPolarHBondContact O-CB 3.39Å; C264-A267 PolarHBondContact O-N 3.43Å |
| 265 | F | 86.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.8 | -35.3 | 174.1 | -178.3 | -93.6 | 0 | 0 | 0 | 112.2 | A78 S79 A261 A262 T263 A267 F268 V269 L419 Y422 L575 | A78-F265 HydrophobicContact CB-CD2 4.19Å; A78-F265 HydrophobicContact CB-CE2 4.18Å; S79-F265 VanDerWaalsContact OG-CE2 3.3Å; S79-F265 WeakPolarHBondContact OG-CE2 3Å; A261-F265 PolarHBondContact O-N 2.86Å; A262-F265 VanDerWaalsContact O-CB 3.27Å; A262-F265 WeakPolarHBondContact O-CB 3.38Å; A262-F265 PolarHBondContact O-N 3.42Å; T263-F265 PolarHBondContact O-N 3.39Å; T263-F265 VanDerWaalsContact O-N 3.16Å; F265-A267 PolarHBondContact O-N 3.25Å; F265-A267 VanDerWaalsContact O-N 3.15Å; F265-F268 PolarHBondContact O-N 3.45Å; F265-V269 HydrophobicContact CD1-CG2 4.35Å; F265-V269 HydrophobicContact CE1-CG2 4.16Å; F265-L419 HydrophobicContact CD1-CD2 3.77Å; F265-L419 HydrophobicContact CD1-CG 4.18Å; F265-L419 HydrophobicContact CD2-CD2 4.45Å; F265-L419 HydrophobicContact CE1-CD2 3.33Å; F265-L419 HydrophobicContact CE1-CG 3.79Å; F265-L419 HydrophobicContact CE2-CD2 4.06Å; F265-L419 HydrophobicContact CG-CD2 4.3Å; F265-L419 HydrophobicContact CZ-CD2 3.48Å; F265-L419 VanDerWaalsContact CZ-CD2 3.48Å; F265-L419 HydrophobicContact CZ-CG 4.37Å; F265-Y422 HydrophobicContact CE1-CD2 4.45Å; F265-Y422 HydrophobicContact CE1-CE2 4.28Å; F265-Y422 AromaticContact CZ-CD2 3.63Å; F265-Y422 HydrophobicContact CZ-CD2 3.63Å; F265-Y422 AromaticContact CZ-CE2 3.64Å; F265-Y422 HydrophobicContact CZ-CE2 3.64Å; F265-L575 HydrophobicContact CB-CD1 4.45Å; F265-L575 HydrophobicContact CD2-CD1 4.21Å; F265-L575 HydrophobicContact CG-CD1 4.35Å |
| 266 | Y | 84.5 | Confident | 88.2 | Confident | 18 Ų | 18 | 8.4 Ų | 8.4 | 7% | 0.071 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -49.8 | -40 | 172.6 | 168.1 | -96.3 | 0 | 0 | 0 | 112.1 | L55 S129 T263 C264 F268 V269 V411 M414 | L55-Y266 HydrophobicContact CD2-CD1 3.61Å; L55-Y266 HydrophobicContact CD2-CE1 4.47Å; L55-Y266 HydrophobicContact CD2-CG 4.29Å; S129-Y266 PolarHBondContact OG-OH 2.85Å; T263-Y266 VanDerWaalsContact O-CB 3.24Å; T263-Y266 WeakPolarHBondContact O-CB 3.42Å; T263-Y266 PolarHBondContact O-N 3.41Å; T263-Y266 VanDerWaalsContact O-N 3.12Å; C264-Y266 PolarHBondContact O-N 3.22Å; Y266-F268 PolarHBondContact O-N 2.91Å; Y266-V269 WeakPolarHBondContact O-CB 3.45Å; Y266-V269 WeakPolarHBondContact O-CG2 3.36Å; Y266-V269 PolarHBondContact O-N 3.15Å; Y266-V411 HydrophobicContact CD1-CG1 4.28Å; Y266-V411 HydrophobicContact CD2-CB 4.35Å; Y266-V411 HydrophobicContact CD2-CG1 3.72Å; Y266-V411 HydrophobicContact CD2-CG2 4.24Å; Y266-V411 HydrophobicContact CE1-CG2 4.23Å; Y266-V411 HydrophobicContact CE2-CB 4.34Å; Y266-V411 HydrophobicContact CE2-CG1 4.16Å; Y266-V411 HydrophobicContact CE2-CG2 3.82Å; Y266-V411 HydrophobicContact CG-CG1 3.76Å; Y266-M414 HydrophobicContact CD2-SD 3.91Å; Y266-M414 HydrophobicContact CE2-SD 3.47Å; Y266-M414 WeakPolarHBondContact CE2-SD 3.32Å |
| 267 | A | 88.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -66.8 | -19.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T47 F72 C264 F265 Y303 | T47-A267 WeakPolarHBondContact CG2-O 3.42Å; F72-A267 HydrophobicContact CE1-CB 3.67Å; F72-A267 HydrophobicContact CZ-CB 4.42Å; C264-A267 WeakPolarHBondContact O-CB 3.39Å; C264-A267 PolarHBondContact O-N 3.43Å; F265-A267 PolarHBondContact O-N 3.25Å; F265-A267 VanDerWaalsContact O-N 3.15Å; A267-Y303 HydrophobicContact CB-CD1 4.21Å; A267-Y303 HydrophobicContact CB-CE1 3.5Å; A267-Y303 HydrophobicContact CB-CE2 4.04Å; A267-Y303 VanDerWaalsContact CB-CZ 3.47Å; A267-Y303 WeakPolarHBondContact O-CE2 3.12Å; A267-Y303 PolarHBondContact O-OH 2.96Å |
| 268 | F | 90.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.009 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -97.1 | -0.2 | 176.6 | -73.9 | -77.3 | 0 | 0 | 0 | 113.8 | F72 A75 A76 S79 F265 Y266 F271 L296 C299 F300 Y303 | F72-F268 AromaticContact CD1-CE2 3.87Å; F72-F268 HydrophobicContact CD1-CE2 3.87Å; A75-F268 HydrophobicContact CB-CD2 3.88Å; A75-F268 HydrophobicContact CB-CE2 3.94Å; A76-F268 HydrophobicContact CB-CE1 3.95Å; A76-F268 HydrophobicContact CB-CE2 3.84Å; A76-F268 HydrophobicContact CB-CZ 3.46Å; A76-F268 VanDerWaalsContact CB-CZ 3.46Å; S79-F268 WeakPolarHBondContact OG-CB 3.3Å; F265-F268 PolarHBondContact O-N 3.45Å; Y266-F268 PolarHBondContact O-N 2.91Å; F268-F271 WeakPolarHBondContact O-CD1 3.37Å; F268-L296 HydrophobicContact CD1-CD2 4.27Å; F268-C299 HydrophobicContact CD1-CB 4.41Å; F268-C299 HydrophobicContact CE1-CB 4.21Å; F268-F300 HydrophobicContact CE1-CB 4.1Å; F268-F300 HydrophobicContact CZ-CB 4.33Å; F268-Y303 HydrophobicContact CD1-CD2 4.32Å; F268-Y303 AromaticContact CE1-CD2 3.77Å; F268-Y303 HydrophobicContact CE1-CD2 3.77Å; F268-Y303 HydrophobicContact CE1-CE2 4.41Å; F268-Y303 HydrophobicContact CE2-CD2 4.26Å; F268-Y303 AromaticContact CZ-CD2 3.72Å; F268-Y303 HydrophobicContact CZ-CD2 3.72Å; F268-Y303 HydrophobicContact CZ-CG 4.24Å |
| 269 | V | 89 | Confident | 88.3 | Confident | 11 Ų | 11 | 7 Ų | 7 | 7% | 0.067 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 140 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | T47 F265 Y266 M414 T418 | T47-V269 PolarHBondContact OG1-O 2.88Å; F265-V269 HydrophobicContact CD1-CG2 4.35Å; F265-V269 HydrophobicContact CE1-CG2 4.16Å; Y266-V269 WeakPolarHBondContact O-CB 3.45Å; Y266-V269 WeakPolarHBondContact O-CG2 3.36Å; Y266-V269 PolarHBondContact O-N 3.15Å; V269-M414 HydrophobicContact CB-CE 4.32Å; V269-M414 HydrophobicContact CG1-CE 3.54Å; V269-T418 HydrophobicContact CB-CG2 4.44Å; V269-T418 HydrophobicContact CG1-CG2 3.75Å; V269-T418 HydrophobicContact CG2-CG2 3.85Å |
| 270 | G | 90.2 | Very high | 88.6 | Confident | 9 Ų | 9 | 5.5 Ų | 5.5 | 9% | 0.093 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 131.4 | -28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S46 D272 C273 | S46-G270 VanDerWaalsContact OG-C 3.28Å; S46-G270 WeakPolarHBondContact OG-CA 3.36Å; S46-G270 PolarHBondContact OG-O 2.85Å; S46-G270 VanDerWaalsContact OG-O 3.06Å; G270-D272 PolarHBondContact N-OD1 2.98Å; G270-D272 PolarHBondContact O-N 3.41Å; G270-C273 VanDerWaalsContact O-CB 3.27Å; G270-C273 WeakPolarHBondContact O-CB 3.43Å; G270-C273 PolarHBondContact O-N 3.21Å; G270-C273 PolarHBondContact O-SG 3.1Å |
| 271 | F | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.8 | 178.3 | 71.6 | -97.4 | 0 | 0 | 0 | 112.7 | T47 A82 G83 Y86 F268 C273 I274 I292 L296 Y422 | T47-F271 PolarHBondContact OG1-N 3.39Å; A82-F271 HydrophobicContact CB-CZ 4.11Å; G83-F271 VanDerWaalsContact CA-CE2 3.46Å; Y86-F271 AromaticContact CD2-CE2 3.83Å; Y86-F271 HydrophobicContact CD2-CE2 3.83Å; Y86-F271 HydrophobicContact CD2-CZ 4.3Å; Y86-F271 HydrophobicContact CE2-CE2 4.39Å; Y86-F271 AromaticContact CG-CE2 3.94Å; Y86-F271 HydrophobicContact CG-CE2 3.94Å; F268-F271 WeakPolarHBondContact O-CD1 3.37Å; F271-C273 PolarHBondContact O-N 3.5Å; F271-I274 WeakPolarHBondContact O-CB 3.1Å; F271-I274 WeakPolarHBondContact O-CG1 3.1Å; F271-I274 PolarHBondContact O-N 3Å; F271-I274 VanDerWaalsContact O-N 3.15Å; F271-I292 HydrophobicContact CB-CG2 4.45Å; F271-I292 HydrophobicContact CD2-CG2 3.76Å; F271-I292 HydrophobicContact CE2-CG2 4.48Å; F271-I292 HydrophobicContact CG-CG2 4.35Å; F271-L296 HydrophobicContact CB-CD1 4.4Å; F271-L296 HydrophobicContact CB-CD2 4.13Å; F271-L296 HydrophobicContact CB-CG 4.05Å; F271-L296 HydrophobicContact CD1-CD1 4.1Å; F271-L296 HydrophobicContact CD1-CD2 3.62Å; F271-L296 HydrophobicContact CD1-CG 4.17Å; F271-L296 HydrophobicContact CD2-CD1 4.43Å; F271-L296 HydrophobicContact CE1-CD2 4.34Å; F271-L296 HydrophobicContact CG-CD1 4.04Å; F271-L296 HydrophobicContact CG-CD2 4.08Å; F271-L296 HydrophobicContact CG-CG 4.15Å; F271-Y422 HydrophobicContact CE1-CE1 4.45Å; F271-Y422 AromaticContact CE1-CE2 3.53Å; F271-Y422 HydrophobicContact CE1-CE2 3.53Å; F271-Y422 AromaticContact CE1-CZ 3.48Å; F271-Y422 VanDerWaalsContact CE1-CZ 3.48Å; F271-Y422 WeakPolarHBondContact CE1-OH 3.47Å; F271-Y422 HydrophobicContact CZ-CD2 4.22Å; F271-Y422 AromaticContact CZ-CE1 3.95Å; F271-Y422 HydrophobicContact CZ-CE1 3.95Å; F271-Y422 AromaticContact CZ-CE2 3.55Å; F271-Y422 HydrophobicContact CZ-CE2 3.55Å; F271-Y422 AromaticContact CZ-CZ 3.38Å; F271-Y422 WeakPolarHBondContact CZ-OH 3.18Å |
| 272 | D | 91.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.6 | -17.6 | 177.8 | 57.2 | -85.3 | 0 | 0 | 0 | 113 | Y86 Y123 G270 I274 A275 T276 Y422 | Y86-D272 HydrophobicContact CD1-CB 4.24Å; Y86-D272 HydrophobicContact CE1-CB 3.81Å; Y123-D272 WeakPolarHBondContact CE1-OD2 3.37Å; Y123-D272 PolarHBondContact OH-OD2 3.05Å; G270-D272 PolarHBondContact N-OD1 2.98Å; G270-D272 PolarHBondContact O-N 3.41Å; D272-I274 PolarHBondContact O-N 3.3Å; D272-A275 PolarHBondContact O-N 2.85Å; D272-T276 PolarHBondContact O-N 3.46Å; D272-T276 PolarHBondContact O-OG1 3.17Å; D272-Y422 HydrophobicContact CB-CE1 4.1Å; D272-Y422 PolarHBondContact OD1-OH 3.14Å |
| 273 | C | 90.5 | Very high | 89 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 171.8 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | S46 G270 F271 A275 T276 T277 P359 | S46-C273 PolarHBondContact OG-SG 3.23Å; G270-C273 VanDerWaalsContact O-CB 3.27Å; G270-C273 WeakPolarHBondContact O-CB 3.43Å; G270-C273 PolarHBondContact O-N 3.21Å; G270-C273 PolarHBondContact O-SG 3.1Å; F271-C273 PolarHBondContact O-N 3.5Å; C273-A275 VanDerWaalsContact C-N 3.31Å; C273-A275 PolarHBondContact O-N 3.17Å; C273-T276 WeakPolarHBondContact O-CB 3.25Å; C273-T276 PolarHBondContact O-N 2.94Å; C273-T276 VanDerWaalsContact O-N 3.1Å; C273-T277 WeakPolarHBondContact O-CG2 3.5Å; C273-T277 PolarHBondContact O-N 3.15Å; C273-P359 HydrophobicContact CB-CB 4.07Å; C273-P359 HydrophobicContact CB-CG 3.77Å |
| 274 | I | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59 | -46 | 178.2 | -61.7 | 175.6 | 0 | 0 | 0 | 109.9 | L39 F271 D272 T276 T277 I288 G291 I292 | L39-I274 HydrophobicContact CB-CG2 4.13Å; L39-I274 HydrophobicContact CD1-CG2 4.04Å; L39-I274 HydrophobicContact CD2-CG2 4.2Å; L39-I274 HydrophobicContact CG-CG2 4.35Å; L39-I274 WeakPolarHBondContact O-CD1 3.36Å; F271-I274 WeakPolarHBondContact O-CB 3.1Å; F271-I274 WeakPolarHBondContact O-CG1 3.1Å; F271-I274 PolarHBondContact O-N 3Å; F271-I274 VanDerWaalsContact O-N 3.15Å; D272-I274 PolarHBondContact O-N 3.3Å; I274-T276 PolarHBondContact O-N 2.85Å; I274-T277 PolarHBondContact O-N 3.3Å; I274-T277 VanDerWaalsContact O-N 3.11Å; I274-T277 PolarHBondContact O-OG1 2.75Å; I274-I288 HydrophobicContact CG2-CB 4.47Å; I274-I288 HydrophobicContact CG2-CG1 4.45Å; I274-I288 HydrophobicContact CG2-CG2 4.23Å; I274-G291 VanDerWaalsContact CD1-C 3.48Å; I274-I292 HydrophobicContact CB-CG1 4.01Å; I274-I292 HydrophobicContact CD1-CG1 4.01Å; I274-I292 HydrophobicContact CG2-CG1 4.05Å |
| 275 | A | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.3 | -27.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y86 S98 D272 C273 T277 | Y86-A275 HydrophobicContact CD1-CB 3.93Å; S98-A275 WeakPolarHBondContact OG-CB 3.36Å; D272-A275 PolarHBondContact O-N 2.85Å; C273-A275 VanDerWaalsContact C-N 3.31Å; C273-A275 PolarHBondContact O-N 3.17Å; A275-T277 VanDerWaalsContact C-N 3.27Å; A275-T277 PolarHBondContact O-N 3.07Å |
| 276 | T | 90.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.3 | -20.9 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | S98 D272 C273 I274 G278 P359 R362 V363 | S98-T276 WeakPolarHBondContact CB-OG1 3.48Å; D272-T276 PolarHBondContact O-N 3.46Å; D272-T276 PolarHBondContact O-OG1 3.17Å; C273-T276 WeakPolarHBondContact O-CB 3.25Å; C273-T276 PolarHBondContact O-N 2.94Å; C273-T276 VanDerWaalsContact O-N 3.1Å; I274-T276 PolarHBondContact O-N 2.85Å; T276-G278 VanDerWaalsContact C-N 3.34Å; T276-G278 PolarHBondContact O-N 3Å; T276-P359 HydrophobicContact CG2-CB 3.85Å; T276-R362 HydrophobicContact CG2-CB 3.75Å; T276-V363 HydrophobicContact CG2-CG2 3.86Å |
| 277 | T | 89.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 11.2 | -175.5 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | L34 L39 L42 C273 I274 A275 E279 E280 V281 F358 | L34-T277 HydrophobicContact CD1-CG2 4.32Å; L39-T277 VanDerWaalsContact CD2-OG1 3.23Å; L39-T277 WeakPolarHBondContact CD2-OG1 3.39Å; L42-T277 HydrophobicContact CD2-CG2 3.75Å; C273-T277 WeakPolarHBondContact O-CG2 3.5Å; C273-T277 PolarHBondContact O-N 3.15Å; I274-T277 PolarHBondContact O-N 3.3Å; I274-T277 VanDerWaalsContact O-N 3.11Å; I274-T277 PolarHBondContact O-OG1 2.75Å; A275-T277 VanDerWaalsContact C-N 3.27Å; A275-T277 PolarHBondContact O-N 3.07Å; T277-E279 VanDerWaalsContact C-N 3.27Å; T277-E279 PolarHBondContact O-N 2.88Å; T277-E280 PolarHBondContact O-N 3.24Å; T277-V281 WeakPolarHBondContact O-CG2 3.49Å; T277-F358 HydrophobicContact CG2-CD1 4.08Å; T277-F358 HydrophobicContact CG2-CE1 3.51Å |
| 278 | G | 86.9 | Confident | 90.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -51.3 | -38.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P94 T276 E280 | P94-G278 CarbonylContact O-C 3.54Å; T276-G278 VanDerWaalsContact C-N 3.34Å; T276-G278 PolarHBondContact O-N 3Å; G278-E280 VanDerWaalsContact C-N 3.33Å; G278-E280 PolarHBondContact O-N 3.37Å |
| 279 | E | 87.3 | Confident | 90.2 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 7% | 0.065 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -77 | -15.2 | -179.5 | -70 | 169.5 | -171.7 | 0 | 0 | 114.6 | T28 L30 R32 K95 T96 T277 | T28-E279 HydrophobicContact CG2-CB 4.17Å; T28-E279 HydrophobicContact CG2-CG 4.15Å; L30-E279 HydrophobicContact CB-CB 4.34Å; L30-E279 HydrophobicContact CD1-CB 4.18Å; L30-E279 WeakPolarHBondContact CD1-OE2 3.43Å; R32-E279 VanDerWaalsContact CG-O 3.22Å; R32-E279 WeakPolarHBondContact CG-O 3.3Å; K95-E279 HydrophobicContact CD-CG 3.85Å; K95-E279 WeakPolarHBondContact CD-OE1 3.27Å; K95-E279 IonicContact NZ-OE1 3.82Å; T96-E279 VanDerWaalsContact CB-CD 3.48Å; T96-E279 WeakPolarHBondContact CB-OE2 3.4Å; T96-E279 PolarHBondContact N-OE1 3.44Å; T96-E279 VanDerWaalsContact N-OE1 3.07Å; T96-E279 WeakPolarHBondContact OG1-CB 3.4Å; T96-E279 VanDerWaalsContact OG1-CG 3.3Å; T96-E279 WeakPolarHBondContact OG1-CG 3.24Å; T96-E279 PolarHBondContact OG1-OE2 2.93Å; T277-E279 VanDerWaalsContact C-N 3.27Å; T277-E279 PolarHBondContact O-N 2.88Å |
| 280 | E | 88.9 | Confident | 90.5 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -98.7 | -2.1 | -178.5 | -68.8 | 178 | -169.8 | 0 | 0 | 112.5 | L30 C31 R32 C33 L34 V184 T277 G278 R362 | L30-E280 HydrophobicContact CB-CG 3.81Å; L30-E280 HydrophobicContact CD1-CG 4.08Å; C31-E280 WeakPolarHBondContact O-CA 3.44Å; R32-E280 CarbonylContact C-O 3.35Å; R32-E280 VanDerWaalsContact CA-O 3.32Å; R32-E280 WeakPolarHBondContact CA-O 3.5Å; C33-E280 PolarHBondContact N-O 3.02Å; L34-E280 WeakPolarHBondContact CB-O 3.38Å; L34-E280 HydrophobicContact CD1-CB 3.85Å; L34-E280 HydrophobicContact CG-CB 4.24Å; L34-E280 PolarHBondContact N-O 2.75Å; V184-E280 WeakPolarHBondContact CG1-OE2 3.37Å; T277-E280 PolarHBondContact O-N 3.24Å; G278-E280 VanDerWaalsContact C-N 3.33Å; G278-E280 PolarHBondContact O-N 3.37Å; E280-R362 VanDerWaalsContact CD-NE 3.34Å; E280-R362 IonicContact OE1-CZ 3.14Å; E280-R362 VanDerWaalsContact OE1-CZ 3.22Å; E280-R362 IonicContact OE1-NE 3.12Å; E280-R362 PolarHBondContact OE1-NE 2.96Å; E280-R362 IonicContact OE1-NH2 3.34Å; E280-R362 PolarHBondContact OE1-NH2 3.29Å; E280-R362 IonicContact OE2-CZ 2.73Å; E280-R362 IonicContact OE2-NE 2.68Å; E280-R362 PolarHBondContact OE2-NE 3.03Å; E280-R362 IonicContact OE2-NH2 3.49Å; E280-R362 PolarHBondContact OE2-NH2 2.95Å |
| 281 | V | 90.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -96.9 | 138.4 | -177 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | L34 L39 T277 P284 A287 | L34-V281 HydrophobicContact CB-CG2 4.05Å; L34-V281 HydrophobicContact CD1-CG2 4.44Å; L39-V281 HydrophobicContact CD1-CG1 3.98Å; L39-V281 HydrophobicContact CD1-CG2 3.73Å; L39-V281 HydrophobicContact CD2-CG2 3.68Å; L39-V281 HydrophobicContact CG-CG2 4.06Å; T277-V281 WeakPolarHBondContact O-CG2 3.49Å; V281-P284 HydrophobicContact CB-CB 4.17Å; V281-P284 HydrophobicContact CG1-CB 4.26Å; V281-A287 HydrophobicContact CG1-CB 3.79Å |
| 282 | R | 87.2 | Confident | 90.8 | Very high | 179 Ų | 179 | 30.4 Ų | 30.4 | 68% | 0.675 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -66.1 | -40.8 | -179.3 | -67.3 | -177.4 | -179.5 | -179.9 | 1.6 | 113.9 | L34 | L34-R282 PolarHBondContact O-N 3.3Å; L34-R282 VanDerWaalsContact O-N 3.11Å |
| 283 | N | 88.1 | Confident | 91 | Very high | 77 Ų | 77 | 33.3 Ų | 33.3 | 41% | 0.412 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -133.1 | 75.5 | 178 | -175.3 | -6.8 | 0 | 0 | 0 | 110.2 | Q285 A287 | N283-Q285 PolarHBondContact O-N 3.04Å; N283-A287 WeakPolarHBondContact O-CB 3.46Å; N283-A287 PolarHBondContact O-N 2.93Å |
| 284 | P | 88.6 | Confident | 91.2 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -35 | -169.2 | 25.8 | -33.4 | 0 | 0 | 0 | 112.9 | P94 V281 R286 A287 I288 | P94-P284 HydrophobicContact CB-CB 3.49Å; P94-P284 VanDerWaalsContact CB-CB 3.49Å; P94-P284 HydrophobicContact CB-CG 3.43Å; P94-P284 VanDerWaalsContact CB-CG 3.43Å; P94-P284 HydrophobicContact CG-CG 4.15Å; V281-P284 HydrophobicContact CB-CB 4.17Å; V281-P284 HydrophobicContact CG1-CB 4.26Å; P284-R286 PolarHBondContact O-N 2.68Å; P284-A287 PolarHBondContact O-N 3.44Å; P284-I288 HydrophobicContact CB-CD1 3.78Å; P284-I288 HydrophobicContact CB-CG1 4.35Å; P284-I288 WeakPolarHBondContact O-CB 3.43Å; P284-I288 WeakPolarHBondContact O-CG1 3.42Å; P284-I288 PolarHBondContact O-N 2.97Å |
| 285 | Q | 88.9 | Confident | 91.3 | Very high | 87 Ų | 87 | 35.8 Ų | 35.8 | 41% | 0.407 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -32.3 | -175.6 | -62.1 | 99.2 | -17.8 | 0 | 0 | 113.2 | A91 N283 P289 A555 | A91-Q285 WeakPolarHBondContact CB-O 3.16Å; A91-Q285 WeakPolarHBondContact O-CG 3.24Å; N283-Q285 PolarHBondContact O-N 3.04Å; Q285-P289 WeakPolarHBondContact O-CD 3.25Å; Q285-P289 WeakPolarHBondContact O-CG 3.35Å; Q285-A555 HydrophobicContact CB-CB 4.05Å; Q285-A555 VanDerWaalsContact O-CB 3.28Å; Q285-A555 WeakPolarHBondContact O-CB 3.2Å |
| 286 | R | 90.6 | Very high | 91.4 | Very high | 170 Ų | 170 | 36 Ų | 36 | 64% | 0.642 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -99.5 | -38.5 | 176.1 | -69.1 | -173.5 | -178.1 | 173.3 | 1.7 | 113 | P284 P289 I290 A555 | P284-R286 PolarHBondContact O-N 2.68Å; R286-P289 WeakPolarHBondContact O-CD 3.44Å; R286-I290 WeakPolarHBondContact O-CD1 3.43Å; R286-I290 VanDerWaalsContact O-CG1 3.27Å; R286-I290 WeakPolarHBondContact O-CG1 3.44Å; R286-I290 PolarHBondContact O-N 3.09Å; R286-A555 HydrophobicContact CG-CB 4.2Å |
| 287 | A | 93 | Very high | 91.7 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.7 | -35.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T36 L39 V281 N283 P284 G291 | T36-A287 HydrophobicContact CG2-CB 4.26Å; T36-A287 WeakPolarHBondContact OG1-CB 2.75Å; L39-A287 HydrophobicContact CD1-CB 3.81Å; V281-A287 HydrophobicContact CG1-CB 3.79Å; N283-A287 WeakPolarHBondContact O-CB 3.46Å; N283-A287 PolarHBondContact O-N 2.93Å; P284-A287 PolarHBondContact O-N 3.44Å; A287-G291 PolarHBondContact O-N 3.48Å |
| 288 | I | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -52.7 | 179.1 | -66.7 | 168.5 | 0 | 0 | 0 | 111.1 | L39 I274 P284 I290 G291 I292 | L39-I288 HydrophobicContact CD1-CG1 4.4Å; I274-I288 HydrophobicContact CG2-CB 4.47Å; I274-I288 HydrophobicContact CG2-CG1 4.45Å; I274-I288 HydrophobicContact CG2-CG2 4.23Å; P284-I288 HydrophobicContact CB-CD1 3.78Å; P284-I288 HydrophobicContact CB-CG1 4.35Å; P284-I288 WeakPolarHBondContact O-CB 3.43Å; P284-I288 WeakPolarHBondContact O-CG1 3.42Å; P284-I288 PolarHBondContact O-N 2.97Å; I288-I290 PolarHBondContact O-N 3.46Å; I288-G291 PolarHBondContact O-N 3.34Å; I288-I292 HydrophobicContact CG2-CD1 3.73Å; I288-I292 HydrophobicContact CG2-CG1 4.49Å; I288-I292 WeakPolarHBondContact O-CG1 3.35Å; I288-I292 PolarHBondContact O-N 3.48Å |
| 289 | P | 93.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 176.5 | -27.2 | 33.5 | 0 | 0 | 0 | 114.1 | A87 A91 Q285 R286 G291 I292 V293 F556 | A87-P289 HydrophobicContact CB-CB 4.06Å; A87-P289 HydrophobicContact CB-CG 4.49Å; A91-P289 HydrophobicContact CB-CG 3.81Å; Q285-P289 WeakPolarHBondContact O-CD 3.25Å; Q285-P289 WeakPolarHBondContact O-CG 3.35Å; R286-P289 WeakPolarHBondContact O-CD 3.44Å; P289-G291 VanDerWaalsContact C-N 3.3Å; P289-G291 PolarHBondContact O-N 3.49Å; P289-I292 PolarHBondContact O-N 3.33Å; P289-V293 WeakPolarHBondContact O-CG2 3.27Å; P289-V293 PolarHBondContact O-N 3.09Å; P289-V293 VanDerWaalsContact O-N 3.1Å; P289-F556 HydrophobicContact CB-CB 3.64Å; P289-F556 HydrophobicContact CB-CD1 4.39Å; P289-F556 HydrophobicContact CB-CD2 4.05Å; P289-F556 HydrophobicContact CB-CG 3.76Å; P289-F556 HydrophobicContact CG-CB 3.52Å; P289-F556 HydrophobicContact CG-CG 4.12Å |
| 290 | I | 94.6 | Very high | 92.7 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 45% | 0.446 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.5 | -66 | 168.9 | 0 | 0 | 0 | 109.9 | T36 R286 I288 T294 | T36-I290 HydrophobicContact CG2-CB 4.19Å; T36-I290 HydrophobicContact CG2-CG2 3.83Å; R286-I290 WeakPolarHBondContact O-CD1 3.43Å; R286-I290 VanDerWaalsContact O-CG1 3.27Å; R286-I290 WeakPolarHBondContact O-CG1 3.44Å; R286-I290 PolarHBondContact O-N 3.09Å; I288-I290 PolarHBondContact O-N 3.46Å; I290-T294 WeakPolarHBondContact O-CB 3.49Å; I290-T294 PolarHBondContact O-N 3.36Å; I290-T294 PolarHBondContact O-OG1 2.89Å |
| 291 | G | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.4 | -56.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I274 A287 I288 P289 S295 | I274-G291 VanDerWaalsContact CD1-C 3.48Å; A287-G291 PolarHBondContact O-N 3.48Å; I288-G291 PolarHBondContact O-N 3.34Å; P289-G291 VanDerWaalsContact C-N 3.3Å; P289-G291 PolarHBondContact O-N 3.49Å; G291-S295 VanDerWaalsContact O-CB 3.27Å; G291-S295 WeakPolarHBondContact O-CB 3.33Å; G291-S295 PolarHBondContact O-N 2.89Å; G291-S295 PolarHBondContact O-OG 2.84Å |
| 292 | I | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -49.9 | -176.1 | -67.5 | 167.6 | 0 | 0 | 0 | 111.9 | G83 A87 F271 I274 I288 P289 S295 L296 | G83-I292 WeakPolarHBondContact O-CG2 3.23Å; A87-I292 HydrophobicContact CB-CD1 4.3Å; F271-I292 HydrophobicContact CB-CG2 4.45Å; F271-I292 HydrophobicContact CD2-CG2 3.76Å; F271-I292 HydrophobicContact CE2-CG2 4.48Å; F271-I292 HydrophobicContact CG-CG2 4.35Å; I274-I292 HydrophobicContact CB-CG1 4.01Å; I274-I292 HydrophobicContact CD1-CG1 4.01Å; I274-I292 HydrophobicContact CG2-CG1 4.05Å; I288-I292 HydrophobicContact CG2-CD1 3.73Å; I288-I292 HydrophobicContact CG2-CG1 4.49Å; I288-I292 WeakPolarHBondContact O-CG1 3.35Å; I288-I292 PolarHBondContact O-N 3.48Å; P289-I292 PolarHBondContact O-N 3.33Å; I292-S295 PolarHBondContact O-OG 3.26Å; I292-L296 HydrophobicContact CG2-CD1 3.89Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 WeakPolarHBondContact O-CG 3.15Å; I292-L296 PolarHBondContact O-N 3.45Å |
| 293 | V | 94 | Very high | 93.6 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 38% | 0.376 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.6 | -43.4 | -176.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L84 P289 L297 | L84-V293 HydrophobicContact CD2-CG2 3.97Å; P289-V293 WeakPolarHBondContact O-CG2 3.27Å; P289-V293 PolarHBondContact O-N 3.09Å; P289-V293 VanDerWaalsContact O-N 3.1Å; V293-L297 WeakPolarHBondContact O-CB 3.4Å; V293-L297 PolarHBondContact O-N 2.87Å; V293-L297 VanDerWaalsContact O-N 3.08Å |
| 294 | T | 95.1 | Very high | 94 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 179.8 | -52.4 | 0 | 0 | 0 | 0 | 111 | I40 I290 L297 V298 | I40-T294 HydrophobicContact CD1-CG2 4.11Å; I40-T294 HydrophobicContact CG1-CG2 4.41Å; I40-T294 HydrophobicContact CG2-CG2 4.3Å; I290-T294 WeakPolarHBondContact O-CB 3.49Å; I290-T294 PolarHBondContact O-N 3.36Å; I290-T294 PolarHBondContact O-OG1 2.89Å; T294-L297 PolarHBondContact O-N 2.81Å; T294-V298 WeakPolarHBondContact O-CG2 3.25Å; T294-V298 PolarHBondContact O-N 3.4Å |
| 295 | S | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 179 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | G291 I292 L297 V298 C299 | G291-S295 VanDerWaalsContact O-CB 3.27Å; G291-S295 WeakPolarHBondContact O-CB 3.33Å; G291-S295 PolarHBondContact O-N 2.89Å; G291-S295 PolarHBondContact O-OG 2.84Å; I292-S295 PolarHBondContact O-OG 3.26Å; S295-L297 PolarHBondContact O-N 2.98Å; S295-V298 PolarHBondContact O-N 3.25Å; S295-C299 WeakPolarHBondContact O-CB 3.39Å; S295-C299 PolarHBondContact O-N 3.18Å; S295-C299 PolarHBondContact O-SG 3.45Å |
| 296 | L | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.3 | -78.4 | 172.1 | 0 | 0 | 0 | 112.5 | V80 F268 F271 I292 C299 F300 | V80-L296 HydrophobicContact CG2-CB 4.36Å; F268-L296 HydrophobicContact CD1-CD2 4.27Å; F271-L296 HydrophobicContact CB-CD1 4.4Å; F271-L296 HydrophobicContact CB-CD2 4.13Å; F271-L296 HydrophobicContact CB-CG 4.05Å; F271-L296 HydrophobicContact CD1-CD1 4.1Å; F271-L296 HydrophobicContact CD1-CD2 3.62Å; F271-L296 HydrophobicContact CD1-CG 4.17Å; F271-L296 HydrophobicContact CD2-CD1 4.43Å; F271-L296 HydrophobicContact CE1-CD2 4.34Å; F271-L296 HydrophobicContact CG-CD1 4.04Å; F271-L296 HydrophobicContact CG-CD2 4.08Å; F271-L296 HydrophobicContact CG-CG 4.15Å; I292-L296 HydrophobicContact CG2-CD1 3.89Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 WeakPolarHBondContact O-CG 3.15Å; I292-L296 PolarHBondContact O-N 3.45Å; L296-C299 PolarHBondContact O-N 2.92Å; L296-F300 WeakPolarHBondContact O-CB 3.48Å; L296-F300 PolarHBondContact O-N 2.88Å |
| 297 | L | 94.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 28.3 Ų | 28.3 | 55% | 0.55 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 177 | -178.7 | 64.5 | 0 | 0 | 0 | 111.9 | V293 T294 S295 C299 F300 M301 | V293-L297 WeakPolarHBondContact O-CB 3.4Å; V293-L297 PolarHBondContact O-N 2.87Å; V293-L297 VanDerWaalsContact O-N 3.08Å; T294-L297 PolarHBondContact O-N 2.81Å; S295-L297 PolarHBondContact O-N 2.98Å; L297-C299 VanDerWaalsContact C-N 3.33Å; L297-C299 PolarHBondContact O-N 3.38Å; L297-F300 PolarHBondContact O-N 3.39Å; L297-M301 WeakPolarHBondContact O-CG 3.16Å; L297-M301 PolarHBondContact O-N 3.46Å |
| 298 | V | 95.5 | Very high | 95 | Very high | 49 Ų | 49 | 28.5 Ų | 28.5 | 30% | 0.297 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.7 | 171 | 0 | 0 | 0 | 0 | 110.5 | V44 T294 S295 M301 A302 | V44-V298 HydrophobicContact CG1-CG1 4.07Å; V44-V298 HydrophobicContact CG2-CB 4.08Å; V44-V298 HydrophobicContact CG2-CG1 4.01Å; T294-V298 WeakPolarHBondContact O-CG2 3.25Å; T294-V298 PolarHBondContact O-N 3.4Å; S295-V298 PolarHBondContact O-N 3.25Å; V298-M301 PolarHBondContact O-N 3.47Å; V298-A302 PolarHBondContact O-N 2.92Å |
| 299 | C | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 178 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | T47 L48 F268 S295 L296 L297 M301 A302 Y303 | T47-C299 HydrophobicContact CG2-CB 3.93Å; T47-C299 VanDerWaalsContact CG2-SG 3.57Å; L48-C299 HydrophobicContact CD2-CB 4.19Å; L48-C299 HydrophobicContact CG-CB 4.48Å; F268-C299 HydrophobicContact CD1-CB 4.41Å; F268-C299 HydrophobicContact CE1-CB 4.21Å; S295-C299 WeakPolarHBondContact O-CB 3.39Å; S295-C299 PolarHBondContact O-N 3.18Å; S295-C299 PolarHBondContact O-SG 3.45Å; L296-C299 PolarHBondContact O-N 2.92Å; L297-C299 VanDerWaalsContact C-N 3.33Å; L297-C299 PolarHBondContact O-N 3.38Å; C299-M301 PolarHBondContact O-N 3.29Å; C299-A302 PolarHBondContact O-N 3.4Å; C299-Y303 HydrophobicContact CB-CD2 4.17Å; C299-Y303 HydrophobicContact CB-CE2 4.17Å; C299-Y303 WeakPolarHBondContact O-CB 3.2Å; C299-Y303 WeakPolarHBondContact O-CD2 3.33Å; C299-Y303 PolarHBondContact O-N 3.03Å |
| 300 | F | 95.1 | Very high | 95.3 | Very high | 41 Ų | 41 | 28.2 Ų | 28.2 | 18% | 0.18 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -48 | 177.6 | 165.9 | -121.6 | 0 | 0 | 0 | 112 | L73 A76 F268 L296 L297 A302 Y303 F304 | L73-F300 HydrophobicContact CD1-CE2 3.72Å; L73-F300 HydrophobicContact CD1-CZ 3.64Å; A76-F300 HydrophobicContact CB-CB 4.1Å; A76-F300 HydrophobicContact CB-CD2 3.34Å; A76-F300 HydrophobicContact CB-CE2 4.03Å; A76-F300 HydrophobicContact CB-CG 3.91Å; F268-F300 HydrophobicContact CE1-CB 4.1Å; F268-F300 HydrophobicContact CZ-CB 4.33Å; L296-F300 WeakPolarHBondContact O-CB 3.48Å; L296-F300 PolarHBondContact O-N 2.88Å; L297-F300 PolarHBondContact O-N 3.39Å; F300-A302 VanDerWaalsContact C-N 3.33Å; F300-A302 PolarHBondContact O-N 3.35Å; F300-Y303 PolarHBondContact O-N 2.81Å; F300-F304 HydrophobicContact CD2-CB 4.27Å; F300-F304 HydrophobicContact CE2-CB 3.96Å; F300-F304 HydrophobicContact CE2-CD2 4.01Å; F300-F304 HydrophobicContact CE2-CG 4.24Å; F300-F304 HydrophobicContact CZ-CD2 4.33Å; F300-F304 HydrophobicContact CZ-CG 4.5Å; F300-F304 WeakPolarHBondContact O-CB 3.28Å; F300-F304 PolarHBondContact O-N 2.89Å |
| 301 | M | 95.3 | Very high | 95.3 | Very high | 97 Ų | 97 | 24.1 Ų | 24.1 | 48% | 0.478 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 177.3 | -70.8 | -69.3 | 100.2 | 0 | 0 | 112.1 | L297 V298 C299 G305 | L297-M301 WeakPolarHBondContact O-CG 3.16Å; L297-M301 PolarHBondContact O-N 3.46Å; V298-M301 PolarHBondContact O-N 3.47Å; C299-M301 PolarHBondContact O-N 3.29Å; M301-G305 PolarHBondContact O-N 3.1Å |
| 302 | A | 95.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 25 Ų | 25 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.1 | -48.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L48 L202 V298 C299 F300 G305 V306 | L48-A302 HydrophobicContact CD1-CB 4.14Å; L48-A302 HydrophobicContact CD2-CB 3.91Å; L202-A302 HydrophobicContact CD1-CB 4.19Å; V298-A302 PolarHBondContact O-N 2.92Å; C299-A302 PolarHBondContact O-N 3.4Å; F300-A302 VanDerWaalsContact C-N 3.33Å; F300-A302 PolarHBondContact O-N 3.35Å; A302-G305 PolarHBondContact O-N 2.9Å; A302-V306 WeakPolarHBondContact O-CB 3.25Å; A302-V306 WeakPolarHBondContact O-CG2 3.21Å; A302-V306 PolarHBondContact O-N 3.48Å |
| 303 | Y | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -53.9 | 178.8 | -82 | -60.9 | 0 | 0 | 0 | 112.2 | T47 L48 V52 F72 A267 F268 C299 F300 G305 S307 | T47-Y303 HydrophobicContact CG2-CE2 4.2Å; T47-Y303 PolarHBondContact O-OH 3.39Å; L48-Y303 HydrophobicContact CD2-CD2 4.13Å; L48-Y303 HydrophobicContact CD2-CE2 3.67Å; V52-Y303 VanDerWaalsContact CA-CE1 3.45Å; V52-Y303 HydrophobicContact CB-CD1 3.77Å; V52-Y303 HydrophobicContact CB-CE1 3.32Å; V52-Y303 HydrophobicContact CG2-CD1 3.88Å; V52-Y303 HydrophobicContact CG2-CE1 3.98Å; V52-Y303 VanDerWaalsContact N-CE1 3.33Å; F72-Y303 HydrophobicContact CD1-CD1 4.02Å; F72-Y303 AromaticContact CD1-CG 3.99Å; F72-Y303 HydrophobicContact CD1-CG 3.99Å; F72-Y303 AromaticContact CE1-CD1 3.46Å; F72-Y303 HydrophobicContact CE1-CD1 3.46Å; F72-Y303 VanDerWaalsContact CE1-CD1 3.46Å; F72-Y303 HydrophobicContact CE1-CE1 4.01Å; F72-Y303 AromaticContact CE1-CG 3.89Å; F72-Y303 HydrophobicContact CE1-CG 3.89Å; F72-Y303 AromaticContact CZ-CD1 3.77Å; F72-Y303 HydrophobicContact CZ-CD1 3.77Å; F72-Y303 HydrophobicContact CZ-CE1 4.32Å; A267-Y303 HydrophobicContact CB-CD1 4.21Å; A267-Y303 HydrophobicContact CB-CE1 3.5Å; A267-Y303 HydrophobicContact CB-CE2 4.04Å; A267-Y303 VanDerWaalsContact CB-CZ 3.47Å; A267-Y303 WeakPolarHBondContact O-CE2 3.12Å; A267-Y303 PolarHBondContact O-OH 2.96Å; F268-Y303 HydrophobicContact CD1-CD2 4.32Å; F268-Y303 AromaticContact CE1-CD2 3.77Å; F268-Y303 HydrophobicContact CE1-CD2 3.77Å; F268-Y303 HydrophobicContact CE1-CE2 4.41Å; F268-Y303 HydrophobicContact CE2-CD2 4.26Å; F268-Y303 AromaticContact CZ-CD2 3.72Å; F268-Y303 HydrophobicContact CZ-CD2 3.72Å; F268-Y303 HydrophobicContact CZ-CG 4.24Å; C299-Y303 HydrophobicContact CB-CD2 4.17Å; C299-Y303 HydrophobicContact CB-CE2 4.17Å; C299-Y303 WeakPolarHBondContact O-CB 3.2Å; C299-Y303 WeakPolarHBondContact O-CD2 3.33Å; C299-Y303 PolarHBondContact O-N 3.03Å; F300-Y303 PolarHBondContact O-N 2.81Å; Y303-G305 VanDerWaalsContact C-N 3.34Å; Y303-G305 PolarHBondContact O-N 3.48Å; Y303-S307 VanDerWaalsContact O-CB 3.31Å; Y303-S307 WeakPolarHBondContact O-CB 3.34Å; Y303-S307 PolarHBondContact O-N 3.21Å; Y303-S307 PolarHBondContact O-OG 3.28Å |
| 304 | F | 94.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 22.8 Ų | 22.8 | 33% | 0.325 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 179.4 | -178.4 | -85.3 | 0 | 0 | 0 | 111.4 | V69 F300 A308 | V69-F304 HydrophobicContact CG1-CD1 4.43Å; V69-F304 HydrophobicContact CG1-CD2 3.53Å; V69-F304 HydrophobicContact CG1-CE1 4.08Å; V69-F304 HydrophobicContact CG1-CE2 3.12Å; V69-F304 HydrophobicContact CG1-CG 4.18Å; V69-F304 HydrophobicContact CG1-CZ 3.42Å; V69-F304 VanDerWaalsContact CG1-CZ 3.42Å; F300-F304 HydrophobicContact CD2-CB 4.27Å; F300-F304 HydrophobicContact CE2-CB 3.96Å; F300-F304 HydrophobicContact CE2-CD2 4.01Å; F300-F304 HydrophobicContact CE2-CG 4.24Å; F300-F304 HydrophobicContact CZ-CD2 4.33Å; F300-F304 HydrophobicContact CZ-CG 4.5Å; F300-F304 WeakPolarHBondContact O-CB 3.28Å; F300-F304 PolarHBondContact O-N 2.89Å; F304-A308 WeakPolarHBondContact O-CB 3.34Å; F304-A308 PolarHBondContact O-N 2.97Å; F304-A308 VanDerWaalsContact O-N 3.1Å |
| 305 | G | 96.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 7% | 0.072 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -45.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M301 A302 Y303 A308 A309 | M301-G305 PolarHBondContact O-N 3.1Å; A302-G305 PolarHBondContact O-N 2.9Å; Y303-G305 VanDerWaalsContact C-N 3.34Å; Y303-G305 PolarHBondContact O-N 3.48Å; G305-A308 PolarHBondContact O-N 2.91Å; G305-A309 VanDerWaalsContact O-CB 3.32Å; G305-A309 WeakPolarHBondContact O-CB 3.4Å; G305-A309 PolarHBondContact O-N 3.03Å |
| 306 | V | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | -179.7 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | V52 L202 V205 M206 A302 A309 L310 L325 | V52-V306 HydrophobicContact CG2-CB 3.93Å; V52-V306 HydrophobicContact CG2-CG1 3.86Å; V52-V306 HydrophobicContact CG2-CG2 4.29Å; L202-V306 HydrophobicContact CB-CG2 4.41Å; L202-V306 HydrophobicContact CD2-CG2 3.92Å; V205-V306 HydrophobicContact CG1-CG1 4.01Å; V205-V306 HydrophobicContact CG1-CG2 4.19Å; M206-V306 HydrophobicContact CG-CG2 3.6Å; M206-V306 HydrophobicContact SD-CG2 4.27Å; A302-V306 WeakPolarHBondContact O-CB 3.25Å; A302-V306 WeakPolarHBondContact O-CG2 3.21Å; A302-V306 PolarHBondContact O-N 3.48Å; V306-A309 PolarHBondContact O-N 3.06Å; V306-L310 VanDerWaalsContact O-CB 3.27Å; V306-L310 WeakPolarHBondContact O-CB 3.36Å; V306-L310 PolarHBondContact O-N 2.94Å; V306-L325 HydrophobicContact CG1-CD1 4.07Å; V306-L325 HydrophobicContact CG1-CD2 3.92Å |
| 307 | S | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | F72 Y303 T311 | F72-S307 WeakPolarHBondContact CD2-OG 3.42Å; F72-S307 WeakPolarHBondContact CE2-OG 3.41Å; Y303-S307 VanDerWaalsContact O-CB 3.31Å; Y303-S307 WeakPolarHBondContact O-CB 3.34Å; Y303-S307 PolarHBondContact O-N 3.21Å; Y303-S307 PolarHBondContact O-OG 3.28Å; S307-T311 WeakPolarHBondContact O-CG2 3.41Å; S307-T311 PolarHBondContact O-N 2.88Å; S307-T311 VanDerWaalsContact O-N 3.14Å; S307-T311 PolarHBondContact O-OG1 2.82Å |
| 308 | A | 95.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | V69 F210 F304 G305 L310 T311 L312 | V69-A308 HydrophobicContact CG2-CB 3.85Å; F210-A308 HydrophobicContact CE1-CB 4.16Å; F210-A308 HydrophobicContact CZ-CB 3.95Å; F304-A308 WeakPolarHBondContact O-CB 3.34Å; F304-A308 PolarHBondContact O-N 2.97Å; F304-A308 VanDerWaalsContact O-N 3.1Å; G305-A308 PolarHBondContact O-N 2.91Å; A308-L310 PolarHBondContact O-N 2.83Å; A308-T311 PolarHBondContact O-OG1 2.95Å; A308-L312 WeakPolarHBondContact O-CB 3.06Å; A308-L312 WeakPolarHBondContact O-CD1 3.35Å; A308-L312 WeakPolarHBondContact O-CG 3.42Å; A308-L312 PolarHBondContact O-N 3.36Å; A308-L312 VanDerWaalsContact O-N 3.07Å |
| 309 | A | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G305 V306 L312 M313 | G305-A309 VanDerWaalsContact O-CB 3.32Å; G305-A309 WeakPolarHBondContact O-CB 3.4Å; G305-A309 PolarHBondContact O-N 3.03Å; V306-A309 PolarHBondContact O-N 3.06Å; A309-L312 PolarHBondContact O-N 3.01Å; A309-M313 VanDerWaalsContact O-CG 3.27Å; A309-M313 WeakPolarHBondContact O-CG 3.3Å; A309-M313 PolarHBondContact O-N 3.22Å |
| 310 | L | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -51 | -179.4 | 177.2 | 64.5 | 0 | 0 | 0 | 112.1 | V306 A308 L312 M313 M314 L319 P324 L325 A328 | V306-L310 VanDerWaalsContact O-CB 3.27Å; V306-L310 WeakPolarHBondContact O-CB 3.36Å; V306-L310 PolarHBondContact O-N 2.94Å; A308-L310 PolarHBondContact O-N 2.83Å; L310-L312 VanDerWaalsContact C-N 3.26Å; L310-L312 PolarHBondContact O-N 3.34Å; L310-M313 PolarHBondContact O-N 2.96Å; L310-M314 PolarHBondContact O-N 3.22Å; L310-M314 VanDerWaalsContact O-N 3.09Å; L310-L319 HydrophobicContact CD1-CD2 3.68Å; L310-L319 HydrophobicContact CD2-CD1 4.42Å; L310-L319 HydrophobicContact CD2-CD2 4.27Å; L310-L319 HydrophobicContact CG-CD1 4.49Å; L310-L319 HydrophobicContact CG-CD2 3.88Å; L310-P324 HydrophobicContact CD1-CB 4.29Å; L310-P324 HydrophobicContact CD2-CB 4.04Å; L310-L325 HydrophobicContact CB-CD2 4.42Å; L310-L325 HydrophobicContact CD1-CD2 4.05Å; L310-A328 HydrophobicContact CD1-CB 3.68Å |
| 311 | T | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.9 | -19.9 | -178.3 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | A60 I68 N217 W218 S307 A308 | A60-T311 HydrophobicContact CB-CG2 4.12Å; I68-T311 HydrophobicContact CG2-CG2 3.79Å; N217-T311 WeakPolarHBondContact CB-O 3.34Å; W218-T311 PolarHBondContact NE1-OG1 2.95Å; W218-T311 VanDerWaalsContact NE1-OG1 3.15Å; S307-T311 WeakPolarHBondContact O-CG2 3.41Å; S307-T311 PolarHBondContact O-N 2.88Å; S307-T311 VanDerWaalsContact O-N 3.14Å; S307-T311 PolarHBondContact O-OG1 2.82Å; A308-T311 PolarHBondContact O-OG1 2.95Å |
| 312 | L | 95.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 22 Ų | 22 | 9% | 0.089 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -79.7 | -36.4 | 169.5 | -72.8 | 169.8 | 0 | 0 | 0 | 111.9 | F210 G213 N214 V215 N217 W218 A308 A309 L310 | F210-L312 HydrophobicContact CD1-CD1 3.89Å; F210-L312 HydrophobicContact CE1-CD1 3.85Å; G213-L312 WeakPolarHBondContact CA-O 3.48Å; N214-L312 PolarHBondContact N-O 2.7Å; V215-L312 HydrophobicContact CG2-CD2 4.34Å; N217-L312 PolarHBondContact ND2-O 3.03Å; W218-L312 HydrophobicContact CD2-CD2 3.98Å; W218-L312 HydrophobicContact CG-CD2 4.27Å; W218-L312 HydrophobicContact CZ2-CD1 4.32Å; W218-L312 HydrophobicContact CZ2-CD2 4.03Å; W218-L312 HydrophobicContact CZ2-CG 3.9Å; A308-L312 WeakPolarHBondContact O-CB 3.06Å; A308-L312 WeakPolarHBondContact O-CD1 3.35Å; A308-L312 WeakPolarHBondContact O-CG 3.42Å; A308-L312 PolarHBondContact O-N 3.36Å; A308-L312 VanDerWaalsContact O-N 3.07Å; A309-L312 PolarHBondContact O-N 3.01Å; L310-L312 VanDerWaalsContact C-N 3.26Å; L310-L312 PolarHBondContact O-N 3.34Å |
| 313 | M | 94.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | 179.1 | -75.6 | 173.3 | 72.9 | 0 | 0 | 112.7 | G209 A309 L310 A328 F329 V332 | G209-M313 WeakPolarHBondContact CA-SD 3.36Å; A309-M313 VanDerWaalsContact O-CG 3.27Å; A309-M313 WeakPolarHBondContact O-CG 3.3Å; A309-M313 PolarHBondContact O-N 3.22Å; L310-M313 PolarHBondContact O-N 2.96Å; M313-A328 HydrophobicContact CE-CB 4.21Å; M313-F329 HydrophobicContact CE-CD1 3.69Å; M313-F329 HydrophobicContact CE-CD2 4.07Å; M313-F329 HydrophobicContact CE-CE1 3.68Å; M313-F329 HydrophobicContact CE-CE2 4.04Å; M313-F329 HydrophobicContact CE-CG 3.89Å; M313-F329 HydrophobicContact CE-CZ 3.86Å; M313-F329 HydrophobicContact SD-CE1 4.47Å; M313-F329 HydrophobicContact SD-CE2 4.41Å; M313-F329 HydrophobicContact SD-CZ 4.18Å; M313-V332 HydrophobicContact CB-CG1 3.97Å; M313-V332 HydrophobicContact CE-CB 4.45Å; M313-V332 HydrophobicContact CE-CG1 3.96Å; M313-V332 HydrophobicContact CE-CG2 3.62Å; M313-V332 HydrophobicContact CG-CG1 4.3Å |
| 314 | M | 94.6 | Very high | 92.2 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 5% | 0.054 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -135.1 | 136.2 | -169.9 | -170 | 172.6 | -175.7 | 0 | 0 | 110.9 | L310 Y316 L318 L319 V327 A328 Y331 | L310-M314 PolarHBondContact O-N 3.22Å; L310-M314 VanDerWaalsContact O-N 3.09Å; M314-Y316 PolarHBondContact O-N 3.45Å; M314-L318 HydrophobicContact CE-CB 3.51Å; M314-L318 WeakPolarHBondContact CE-O 3.41Å; M314-L318 HydrophobicContact CG-CB 4.45Å; M314-L319 HydrophobicContact CB-CD2 4.1Å; M314-L319 HydrophobicContact CG-CD2 4.23Å; M314-L319 HydrophobicContact SD-CD2 4.05Å; M314-V327 HydrophobicContact CE-CG1 4.15Å; M314-V327 HydrophobicContact SD-CG1 4.4Å; M314-A328 HydrophobicContact CB-CB 4.22Å; M314-A328 HydrophobicContact SD-CB 4.17Å; M314-Y331 HydrophobicContact CB-CD1 4.19Å; M314-Y331 HydrophobicContact CE-CD2 4.25Å; M314-Y331 HydrophobicContact CE-CG 4.32Å; M314-Y331 HydrophobicContact CG-CD1 3.98Å; M314-Y331 HydrophobicContact CG-CE1 4.35Å; M314-Y331 HydrophobicContact CG-CG 4.14Å; M314-Y331 HydrophobicContact SD-CG 4.29Å |
| 315 | P | 94.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.032 | 9% | 0.092 | C | C | . | . | trans | -56.6 | 134.1 | 174.5 | -23.3 | 32 | 0 | 0 | 0 | 112 | I220 Y317 L318 | I220-P315 HydrophobicContact CD1-CB 3.98Å; P315-Y317 VanDerWaalsContact C-N 3.26Å; P315-Y317 HydrophobicContact CB-CD1 3.89Å; P315-Y317 HydrophobicContact CB-CE1 3.38Å; P315-Y317 HydrophobicContact CG-CE1 4.37Å; P315-Y317 PolarHBondContact O-N 3Å; P315-Y317 VanDerWaalsContact O-N 3.12Å; P315-L318 HydrophobicContact CB-CD1 4.47Å; P315-L318 HydrophobicContact CG-CD1 4.3Å; P315-L318 PolarHBondContact O-N 3.31Å | ||
| 316 | Y | 92.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -56.9 | -34.6 | -170.7 | 70.5 | -85.6 | 0 | 0 | 0 | 114.1 | K61 P66 I220 L225 Y244 P251 Y252 M314 L318 L319 | K61-Y316 WeakPolarHBondContact CA-O 3.43Å; K61-Y316 WeakPolarHBondContact CG-O 3.22Å; P66-Y316 HydrophobicContact CG-CD1 4.27Å; I220-Y316 HydrophobicContact CD1-CD1 4.28Å; I220-Y316 HydrophobicContact CD1-CE1 4.15Å; L225-Y316 WeakPolarHBondContact CD1-OH 3.05Å; Y244-Y316 WeakPolarHBondContact O-CE2 3.26Å; Y244-Y316 PolarHBondContact O-OH 3.44Å; P251-Y316 HydrophobicContact CB-CE1 4.44Å; P251-Y316 HydrophobicContact CB-CE2 4.22Å; P251-Y316 WeakPolarHBondContact CB-OH 3.36Å; P251-Y316 HydrophobicContact CG-CE1 4.2Å; P251-Y316 HydrophobicContact CG-CE2 3.93Å; Y252-Y316 HydrophobicContact CE2-CE2 4.19Å; M314-Y316 PolarHBondContact O-N 3.45Å; Y316-L318 VanDerWaalsContact C-N 3.26Å; Y316-L318 PolarHBondContact O-N 2.86Å; Y316-L319 WeakPolarHBondContact O-CB 3.17Å; Y316-L319 PolarHBondContact O-N 3.36Å |
| 317 | Y | 89.8 | Confident | 91.5 | Very high | 25 Ų | 25 | 20.3 Ų | 20.3 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -71.5 | -17.3 | -178.8 | 64 | -90.8 | 0 | 0 | 0 | 113.8 | I220 F224 L225 I228 P315 | I220-Y317 HydrophobicContact CD1-CD1 4.29Å; I220-Y317 HydrophobicContact CD1-CE1 3.88Å; F224-Y317 HydrophobicContact CE1-CE1 4.4Å; F224-Y317 WeakPolarHBondContact CE1-OH 3.38Å; L225-Y317 HydrophobicContact CD2-CD1 3.82Å; L225-Y317 HydrophobicContact CD2-CE1 4.09Å; L225-Y317 HydrophobicContact CD2-CG 4.3Å; I228-Y317 HydrophobicContact CD1-CE2 4.06Å; P315-Y317 VanDerWaalsContact C-N 3.26Å; P315-Y317 HydrophobicContact CB-CD1 3.89Å; P315-Y317 HydrophobicContact CB-CE1 3.38Å; P315-Y317 HydrophobicContact CG-CE1 4.37Å; P315-Y317 PolarHBondContact O-N 3Å; P315-Y317 VanDerWaalsContact O-N 3.12Å |
| 318 | L | 91.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 20.3 Ų | 20.3 | 40% | 0.403 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -95.1 | -6.7 | 177.3 | -63.8 | 176 | 0 | 0 | 0 | 113.2 | M314 P315 Y316 D320 Y331 | M314-L318 HydrophobicContact CE-CB 3.51Å; M314-L318 WeakPolarHBondContact CE-O 3.41Å; M314-L318 HydrophobicContact CG-CB 4.45Å; P315-L318 HydrophobicContact CB-CD1 4.47Å; P315-L318 HydrophobicContact CG-CD1 4.3Å; P315-L318 PolarHBondContact O-N 3.31Å; Y316-L318 VanDerWaalsContact C-N 3.26Å; Y316-L318 PolarHBondContact O-N 2.86Å; L318-D320 PolarHBondContact O-N 3.32Å; L318-Y331 HydrophobicContact CD1-CE2 4.35Å |
| 319 | L | 91.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -58.6 | 137.2 | -177.8 | -69.5 | 172.3 | 0 | 0 | 0 | 110.9 | A60 K61 L310 M314 Y316 P324 | A60-L319 HydrophobicContact CB-CD1 3.6Å; K61-L319 HydrophobicContact CB-CB 4.36Å; K61-L319 VanDerWaalsContact CD-O 3.29Å; K61-L319 WeakPolarHBondContact CD-O 3.44Å; K61-L319 WeakPolarHBondContact CE-O 3.34Å; K61-L319 PolarHBondContact NZ-O 2.99Å; L310-L319 HydrophobicContact CD1-CD2 3.68Å; L310-L319 HydrophobicContact CD2-CD1 4.42Å; L310-L319 HydrophobicContact CD2-CD2 4.27Å; L310-L319 HydrophobicContact CG-CD1 4.49Å; L310-L319 HydrophobicContact CG-CD2 3.88Å; M314-L319 HydrophobicContact CB-CD2 4.1Å; M314-L319 HydrophobicContact CG-CD2 4.23Å; M314-L319 HydrophobicContact SD-CD2 4.05Å; Y316-L319 WeakPolarHBondContact O-CB 3.17Å; Y316-L319 PolarHBondContact O-N 3.36Å; L319-P324 HydrophobicContact CD2-CB 4.48Å | ||
| 320 | D | 87 | Confident | 91 | Very high | 40 Ų | 40 | 24.9 Ų | 24.9 | 21% | 0.214 | 12% | 0.123 | C | C | . | . | trans | -76.9 | 140.9 | 171.2 | -173.8 | -102.4 | 0 | 0 | 0 | 109.9 | L318 K322 S323 P324 V327 | L318-D320 PolarHBondContact O-N 3.32Å; D320-K322 PolarHBondContact OD1-N 2.87Å; D320-S323 PolarHBondContact OD1-N 3Å; D320-S323 PolarHBondContact OD1-OG 3.02Å; D320-P324 WeakPolarHBondContact O-CB 3.37Å; D320-P324 WeakPolarHBondContact O-CD 3.34Å; D320-V327 HydrophobicContact CB-CB 4.3Å; D320-V327 HydrophobicContact CB-CG1 4.4Å; D320-V327 HydrophobicContact CB-CG2 3.99Å | ||
| 321 | E | 81.9 | Confident | 90.9 | Very high | 98 Ų | 98 | 30.7 Ų | 30.7 | 46% | 0.458 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -80.4 | -24.5 | -175.3 | -73 | 159.5 | -144.9 | 0 | 0 | 112.7 | V54 K61 | V54-E321 WeakPolarHBondContact CG1-O 3.46Å; K61-E321 HydrophobicContact CD-CG 4.04Å; K61-E321 IonicContact NZ-OE1 2.83Å; K61-E321 PolarHBondContact NZ-OE1 3.07Å |
| 322 | K | 80.1 | Confident | 90.8 | Very high | 85 Ų | 85 | 32 Ų | 32 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -100.6 | -32 | -176.4 | -64.1 | -172.6 | 179.5 | -173.4 | 0 | 112.9 | D320 | D320-K322 PolarHBondContact OD1-N 2.87Š|
| 323 | S | 85.8 | Confident | 90.5 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | trans | -143.6 | 50.7 | -169.8 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | E140 D320 L325 P326 V327 | E140-S323 WeakPolarHBondContact CG-OG 3.24Å; D320-S323 PolarHBondContact OD1-N 3Å; D320-S323 PolarHBondContact OD1-OG 3.02Å; S323-L325 VanDerWaalsContact C-N 3.31Å; S323-L325 PolarHBondContact O-N 2.95Å; S323-P326 WeakPolarHBondContact O-CD 3.48Å; S323-V327 WeakPolarHBondContact O-CG2 3.41Å; S323-V327 PolarHBondContact O-N 3.09Å | ||
| 324 | P | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -39.5 | -171.2 | 23.2 | -35.7 | 0 | 0 | 0 | 113.9 | Y53 L310 L319 D320 A328 | Y53-P324 VanDerWaalsContact O-CD 3.24Å; Y53-P324 WeakPolarHBondContact O-CD 3.37Å; Y53-P324 VanDerWaalsContact O-CG 3.22Å; Y53-P324 WeakPolarHBondContact O-CG 3.41Å; L310-P324 HydrophobicContact CD1-CB 4.29Å; L310-P324 HydrophobicContact CD2-CB 4.04Å; L319-P324 HydrophobicContact CD2-CB 4.48Å; D320-P324 WeakPolarHBondContact O-CB 3.37Å; D320-P324 WeakPolarHBondContact O-CD 3.34Å; P324-A328 VanDerWaalsContact O-CB 3.26Å; P324-A328 WeakPolarHBondContact O-CB 3.32Å; P324-A328 PolarHBondContact O-N 3.39Å |
| 325 | L | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.8 | -53.9 | -174.7 | -75.8 | 171.1 | 0 | 0 | 0 | 113.2 | Y53 V205 V306 L310 S323 V327 A328 F329 V341 | Y53-L325 HydrophobicContact CD1-CD1 3.57Å; Y53-L325 HydrophobicContact CE1-CD1 4.02Å; Y53-L325 HydrophobicContact CG-CD1 4.36Å; V205-L325 HydrophobicContact CG1-CD2 3.62Å; V306-L325 HydrophobicContact CG1-CD1 4.07Å; V306-L325 HydrophobicContact CG1-CD2 3.92Å; L310-L325 HydrophobicContact CB-CD2 4.42Å; L310-L325 HydrophobicContact CD1-CD2 4.05Å; S323-L325 VanDerWaalsContact C-N 3.31Å; S323-L325 PolarHBondContact O-N 2.95Å; L325-V327 VanDerWaalsContact C-N 3.28Å; L325-V327 PolarHBondContact O-N 3.11Å; L325-A328 PolarHBondContact O-N 3.4Å; L325-F329 WeakPolarHBondContact O-CD2 3.21Å; L325-F329 PolarHBondContact O-N 2.86Å; L325-F329 VanDerWaalsContact O-N 3.17Å; L325-V341 HydrophobicContact CB-CG1 3.8Å |
| 326 | P | 90.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54 | -43 | 173.8 | -28.2 | 34.7 | 0 | 0 | 0 | 113.4 | S323 F329 E330 K338 V341 A342 | S323-P326 WeakPolarHBondContact O-CD 3.48Å; P326-F329 PolarHBondContact O-N 3.47Å; P326-E330 PolarHBondContact O-N 3.47Å; P326-K338 HydrophobicContact CB-CG 3.82Å; P326-V341 HydrophobicContact CG-CG1 4.46Å; P326-A342 HydrophobicContact CG-CB 4.16Å |
| 327 | V | 89.9 | Confident | 89.7 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 179.6 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | M314 D320 S323 L325 F329 E330 Y331 | M314-V327 HydrophobicContact CE-CG1 4.15Å; M314-V327 HydrophobicContact SD-CG1 4.4Å; D320-V327 HydrophobicContact CB-CB 4.3Å; D320-V327 HydrophobicContact CB-CG1 4.4Å; D320-V327 HydrophobicContact CB-CG2 3.99Å; S323-V327 WeakPolarHBondContact O-CG2 3.41Å; S323-V327 PolarHBondContact O-N 3.09Å; L325-V327 VanDerWaalsContact C-N 3.28Å; L325-V327 PolarHBondContact O-N 3.11Å; V327-F329 VanDerWaalsContact C-N 3.33Å; V327-F329 PolarHBondContact O-N 3.29Å; V327-E330 WeakPolarHBondContact O-CB 3.22Å; V327-E330 PolarHBondContact O-N 3.28Å; V327-Y331 WeakPolarHBondContact O-CB 3.31Å; V327-Y331 PolarHBondContact O-N 3.41Å |
| 328 | A | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L310 M313 M314 P324 L325 Y331 V332 | L310-A328 HydrophobicContact CD1-CB 3.68Å; M313-A328 HydrophobicContact CE-CB 4.21Å; M314-A328 HydrophobicContact CB-CB 4.22Å; M314-A328 HydrophobicContact SD-CB 4.17Å; P324-A328 VanDerWaalsContact O-CB 3.26Å; P324-A328 WeakPolarHBondContact O-CB 3.32Å; P324-A328 PolarHBondContact O-N 3.39Å; L325-A328 PolarHBondContact O-N 3.4Å; A328-Y331 WeakPolarHBondContact O-CB 3.43Å; A328-Y331 PolarHBondContact O-N 3.33Å; A328-V332 PolarHBondContact O-N 3.01Å; A328-V332 VanDerWaalsContact O-N 3.1Å |
| 329 | F | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68 | -35.7 | 175.5 | -85.3 | -74 | 0 | 0 | 0 | 113.2 | F204 V205 A208 M313 L325 P326 V327 V332 W334 A337 V341 | F204-F329 HydrophobicContact CE1-CE1 4.47Å; F204-F329 HydrophobicContact CE1-CZ 4.37Å; V205-F329 HydrophobicContact CB-CE2 4.48Å; V205-F329 HydrophobicContact CG1-CE2 4.3Å; V205-F329 HydrophobicContact CG2-CE2 4.03Å; V205-F329 HydrophobicContact CG2-CZ 4.47Å; A208-F329 HydrophobicContact CB-CE1 3.7Å; A208-F329 HydrophobicContact CB-CZ 3.89Å; M313-F329 HydrophobicContact CE-CD1 3.69Å; M313-F329 HydrophobicContact CE-CD2 4.07Å; M313-F329 HydrophobicContact CE-CE1 3.68Å; M313-F329 HydrophobicContact CE-CE2 4.04Å; M313-F329 HydrophobicContact CE-CG 3.89Å; M313-F329 HydrophobicContact CE-CZ 3.86Å; M313-F329 HydrophobicContact SD-CE1 4.47Å; M313-F329 HydrophobicContact SD-CE2 4.41Å; M313-F329 HydrophobicContact SD-CZ 4.18Å; L325-F329 WeakPolarHBondContact O-CD2 3.21Å; L325-F329 PolarHBondContact O-N 2.86Å; L325-F329 VanDerWaalsContact O-N 3.17Å; P326-F329 PolarHBondContact O-N 3.47Å; V327-F329 VanDerWaalsContact C-N 3.33Å; V327-F329 PolarHBondContact O-N 3.29Å; F329-V332 HydrophobicContact CD1-CG2 4.45Å; F329-V332 WeakPolarHBondContact O-CG2 3.4Å; F329-W334 HydrophobicContact CD1-CB 4.1Å; F329-W334 HydrophobicContact CD1-CE3 4.37Å; F329-W334 HydrophobicContact CE1-CE3 4.21Å; F329-W334 CarbonylContact O-C 3.26Å; F329-W334 WeakPolarHBondContact O-CA 3.42Å; F329-W334 PolarHBondContact O-N 2.91Å; F329-A337 HydrophobicContact CB-CB 4.24Å; F329-A337 HydrophobicContact CD1-CB 3.52Å; F329-A337 HydrophobicContact CE1-CB 4.08Å; F329-A337 HydrophobicContact CG-CB 3.91Å; F329-V341 HydrophobicContact CD2-CB 4.49Å; F329-V341 HydrophobicContact CD2-CG2 3.84Å; F329-V341 HydrophobicContact CE2-CG2 3.74Å; F329-V341 HydrophobicContact CZ-CG2 4.47Å |
| 330 | E | 91 | Very high | 89.5 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 171.8 | -172.7 | 164 | -153.1 | 0 | 0 | 111.3 | P326 V327 V332 G333 K338 | P326-E330 PolarHBondContact O-N 3.47Å; V327-E330 WeakPolarHBondContact O-CB 3.22Å; V327-E330 PolarHBondContact O-N 3.28Å; E330-V332 PolarHBondContact O-N 2.94Å; E330-G333 PolarHBondContact O-N 3.44Å; E330-K338 HydrophobicContact CB-CD 4.4Å; E330-K338 IonicContact OE1-NZ 2.82Å; E330-K338 PolarHBondContact OE1-NZ 3.33Å; E330-K338 WeakPolarHBondContact OE2-CE 3.39Å; E330-K338 IonicContact OE2-NZ 2.65Å; E330-K338 PolarHBondContact OE2-NZ 3.03Å |
| 331 | Y | 91.8 | Very high | 89.8 | Confident | 123 Ų | 123 | 51.4 Ų | 51.4 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 177.6 | 179.2 | -97.6 | 0 | 0 | 0 | 113.2 | M314 L318 V327 A328 G333 | M314-Y331 HydrophobicContact CB-CD1 4.19Å; M314-Y331 HydrophobicContact CE-CD2 4.25Å; M314-Y331 HydrophobicContact CE-CG 4.32Å; M314-Y331 HydrophobicContact CG-CD1 3.98Å; M314-Y331 HydrophobicContact CG-CE1 4.35Å; M314-Y331 HydrophobicContact CG-CG 4.14Å; M314-Y331 HydrophobicContact SD-CG 4.29Å; L318-Y331 HydrophobicContact CD1-CE2 4.35Å; V327-Y331 WeakPolarHBondContact O-CB 3.31Å; V327-Y331 PolarHBondContact O-N 3.41Å; A328-Y331 WeakPolarHBondContact O-CB 3.43Å; A328-Y331 PolarHBondContact O-N 3.33Å; Y331-G333 PolarHBondContact O-N 3.37Å |
| 332 | V | 93.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 5.1 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | K212 M313 A328 F329 E330 W334 | K212-V332 HydrophobicContact CB-CB 4.31Å; K212-V332 HydrophobicContact CB-CG1 4.39Å; K212-V332 HydrophobicContact CB-CG2 4.34Å; K212-V332 HydrophobicContact CG-CG2 4.41Å; M313-V332 HydrophobicContact CB-CG1 3.97Å; M313-V332 HydrophobicContact CE-CB 4.45Å; M313-V332 HydrophobicContact CE-CG1 3.96Å; M313-V332 HydrophobicContact CE-CG2 3.62Å; M313-V332 HydrophobicContact CG-CG1 4.3Å; A328-V332 PolarHBondContact O-N 3.01Å; A328-V332 VanDerWaalsContact O-N 3.1Å; F329-V332 HydrophobicContact CD1-CG2 4.45Å; F329-V332 WeakPolarHBondContact O-CG2 3.4Å; E330-V332 PolarHBondContact O-N 2.94Å; V332-W334 HydrophobicContact CG2-CB 4.2Å |
| 333 | G | 91 | Very high | 90.6 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 63% | 0.629 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 18.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | E330 Y331 | E330-G333 PolarHBondContact O-N 3.44Å; Y331-G333 PolarHBondContact O-N 3.37Å |
| 334 | W | 90.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | trans | -103.3 | 63 | 177.5 | -85.8 | 23 | 0 | 0 | 0 | 111.3 | A208 K212 F329 V332 A337 | A208-W334 HydrophobicContact CB-CE3 4.25Å; A208-W334 HydrophobicContact CB-CZ3 3.68Å; K212-W334 HydrophobicContact CG-CZ2 4.45Å; F329-W334 HydrophobicContact CD1-CB 4.1Å; F329-W334 HydrophobicContact CD1-CE3 4.37Å; F329-W334 HydrophobicContact CE1-CE3 4.21Å; F329-W334 CarbonylContact O-C 3.26Å; F329-W334 WeakPolarHBondContact O-CA 3.42Å; F329-W334 PolarHBondContact O-N 2.91Å; V332-W334 HydrophobicContact CG2-CB 4.2Å; W334-A337 HydrophobicContact CB-CB 4.1Å; W334-A337 HydrophobicContact CE3-CB 4.29Å; W334-A337 WeakPolarHBondContact O-CB 3.06Å; W334-A337 PolarHBondContact O-N 3.1Å | ||
| 335 | G | 86.8 | Confident | 90.9 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -49.6 | -47.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A337 K338 | G335-A337 VanDerWaalsContact C-N 3.27Å; G335-A337 PolarHBondContact O-N 3.17Å; G335-K338 WeakPolarHBondContact O-CB 3.39Å; G335-K338 PolarHBondContact O-N 3.09Å |
| 336 | P | 89.5 | Confident | 90.8 | Very high | 110 Ų | 110 | 47 Ų | 47 | 71% | 0.714 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.6 | -31.3 | 178.9 | -25.4 | 35.4 | 0 | 0 | 0 | 114.1 | K338 Y339 | P336-K338 VanDerWaalsContact C-N 3.26Å; P336-K338 PolarHBondContact O-N 3.29Å; P336-Y339 PolarHBondContact O-N 3.1Å |
| 337 | A | 90.7 | Very high | 90.8 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -29.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | F204 F329 W334 G335 Y339 V340 V341 | F204-A337 HydrophobicContact CE1-CB 3.98Å; F204-A337 HydrophobicContact CZ-CB 3.82Å; F329-A337 HydrophobicContact CB-CB 4.24Å; F329-A337 HydrophobicContact CD1-CB 3.52Å; F329-A337 HydrophobicContact CE1-CB 4.08Å; F329-A337 HydrophobicContact CG-CB 3.91Å; W334-A337 HydrophobicContact CB-CB 4.1Å; W334-A337 HydrophobicContact CE3-CB 4.29Å; W334-A337 WeakPolarHBondContact O-CB 3.06Å; W334-A337 PolarHBondContact O-N 3.1Å; G335-A337 VanDerWaalsContact C-N 3.27Å; G335-A337 PolarHBondContact O-N 3.17Å; A337-Y339 VanDerWaalsContact C-N 3.29Å; A337-Y339 PolarHBondContact O-N 3.49Å; A337-V340 PolarHBondContact O-N 3.15Å; A337-V341 VanDerWaalsContact O-CG2 3.3Å; A337-V341 WeakPolarHBondContact O-CG2 3.33Å; A337-V341 PolarHBondContact O-N 3.35Å |
| 338 | K | 88.8 | Confident | 90.9 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 22% | 0.222 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -49.7 | -49 | 173.3 | -178.6 | -176.2 | 176.3 | 167.1 | 0 | 111.7 | P326 E330 G335 P336 V341 A342 | P326-K338 HydrophobicContact CB-CG 3.82Å; E330-K338 HydrophobicContact CB-CD 4.4Å; E330-K338 IonicContact OE1-NZ 2.82Å; E330-K338 PolarHBondContact OE1-NZ 3.33Å; E330-K338 WeakPolarHBondContact OE2-CE 3.39Å; E330-K338 IonicContact OE2-NZ 2.65Å; E330-K338 PolarHBondContact OE2-NZ 3.03Å; G335-K338 WeakPolarHBondContact O-CB 3.39Å; G335-K338 PolarHBondContact O-N 3.09Å; P336-K338 VanDerWaalsContact C-N 3.26Å; P336-K338 PolarHBondContact O-N 3.29Å; K338-V341 PolarHBondContact O-N 3.37Å; K338-A342 VanDerWaalsContact O-CB 3.27Å; K338-A342 WeakPolarHBondContact O-CB 3.41Å; K338-A342 PolarHBondContact O-N 3.26Å |
| 339 | Y | 89.3 | Confident | 90.9 | Very high | 159 Ų | 159 | 45.6 Ų | 45.6 | 62% | 0.624 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.8 | -38.3 | -176.8 | -62.8 | -74.2 | 0 | 0 | 0 | 112.7 | P336 A337 V341 A342 A343 | P336-Y339 PolarHBondContact O-N 3.1Å; A337-Y339 VanDerWaalsContact C-N 3.29Å; A337-Y339 PolarHBondContact O-N 3.49Å; Y339-V341 VanDerWaalsContact C-N 3.35Å; Y339-A342 PolarHBondContact O-N 3.45Å; Y339-A343 WeakPolarHBondContact O-CB 3.43Å; Y339-A343 PolarHBondContact O-N 3.47Å |
| 340 | V | 91.3 | Very high | 90.8 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | A337 A343 G344 | A337-V340 PolarHBondContact O-N 3.15Å; V340-A343 PolarHBondContact O-N 2.94Å; V340-G344 PolarHBondContact O-N 3.16Å |
| 341 | V | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | -179.5 | 176 | 0 | 0 | 0 | 0 | 111.4 | F204 V205 L325 P326 F329 A337 K338 Y339 G344 S345 | F204-V341 HydrophobicContact CD1-CG2 4.13Å; F204-V341 HydrophobicContact CE1-CG2 3.97Å; V205-V341 HydrophobicContact CG2-CG1 4.04Å; V205-V341 HydrophobicContact CG2-CG2 3.64Å; L325-V341 HydrophobicContact CB-CG1 3.8Å; P326-V341 HydrophobicContact CG-CG1 4.46Å; F329-V341 HydrophobicContact CD2-CB 4.49Å; F329-V341 HydrophobicContact CD2-CG2 3.84Å; F329-V341 HydrophobicContact CE2-CG2 3.74Å; F329-V341 HydrophobicContact CZ-CG2 4.47Å; A337-V341 VanDerWaalsContact O-CG2 3.3Å; A337-V341 WeakPolarHBondContact O-CG2 3.33Å; A337-V341 PolarHBondContact O-N 3.35Å; K338-V341 PolarHBondContact O-N 3.37Å; Y339-V341 VanDerWaalsContact C-N 3.35Å; V341-G344 PolarHBondContact O-N 3.43Å; V341-S345 WeakPolarHBondContact O-CB 3.15Å; V341-S345 PolarHBondContact O-N 3.3Å; V341-S345 PolarHBondContact O-OG 2.93Å |
| 342 | A | 89.9 | Confident | 90.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L141 P326 K338 Y339 G344 S345 L346 | L141-A342 HydrophobicContact CD1-CB 4.08Å; L141-A342 HydrophobicContact CD2-CB 3.41Å; L141-A342 VanDerWaalsContact CD2-CB 3.41Å; L141-A342 HydrophobicContact CG-CB 4.15Å; P326-A342 HydrophobicContact CG-CB 4.16Å; K338-A342 VanDerWaalsContact O-CB 3.27Å; K338-A342 WeakPolarHBondContact O-CB 3.41Å; K338-A342 PolarHBondContact O-N 3.26Å; Y339-A342 PolarHBondContact O-N 3.45Å; A342-G344 VanDerWaalsContact C-N 3.31Å; A342-G344 PolarHBondContact O-N 2.85Å; A342-S345 WeakPolarHBondContact CA-OG 3.27Å; A342-S345 PolarHBondContact O-N 3.48Å; A342-S345 PolarHBondContact O-OG 3.4Å; A342-L346 WeakPolarHBondContact O-CG 3.2Å; A342-L346 PolarHBondContact O-N 2.91Å; A342-L346 VanDerWaalsContact O-N 3.09Å |
| 343 | A | 89.5 | Confident | 90.8 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 52% | 0.521 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y339 V340 L346 C347 | Y339-A343 WeakPolarHBondContact O-CB 3.43Å; Y339-A343 PolarHBondContact O-N 3.47Å; V340-A343 PolarHBondContact O-N 2.94Å; A343-L346 PolarHBondContact O-N 3.49Å; A343-C347 WeakPolarHBondContact O-CB 3.47Å; A343-C347 PolarHBondContact O-N 3.16Å; A343-C347 VanDerWaalsContact O-N 3.09Å |
| 344 | G | 91.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V340 V341 A342 C347 A348 | V340-G344 PolarHBondContact O-N 3.16Å; V341-G344 PolarHBondContact O-N 3.43Å; A342-G344 VanDerWaalsContact C-N 3.31Å; A342-G344 PolarHBondContact O-N 2.85Å; G344-C347 WeakPolarHBondContact O-CB 3.35Å; G344-C347 PolarHBondContact O-N 3.43Å; G344-A348 WeakPolarHBondContact O-CB 3.44Å; G344-A348 PolarHBondContact O-N 2.95Å |
| 345 | S | 91.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | T137 V341 A342 C347 A348 L349 | T137-S345 WeakPolarHBondContact CG2-OG 3.39Å; V341-S345 WeakPolarHBondContact O-CB 3.15Å; V341-S345 PolarHBondContact O-N 3.3Å; V341-S345 PolarHBondContact O-OG 2.93Å; A342-S345 WeakPolarHBondContact CA-OG 3.27Å; A342-S345 PolarHBondContact O-N 3.48Å; A342-S345 PolarHBondContact O-OG 3.4Å; S345-C347 VanDerWaalsContact C-N 3.34Å; S345-C347 PolarHBondContact O-N 2.98Å; S345-A348 WeakPolarHBondContact O-CB 3.47Å; S345-A348 PolarHBondContact O-N 2.87Å; S345-L349 WeakPolarHBondContact O-CB 3.36Å; S345-L349 WeakPolarHBondContact O-CD1 3.36Å; S345-L349 WeakPolarHBondContact O-CG 3.3Å; S345-L349 PolarHBondContact O-N 3.36Å |
| 346 | L | 91.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 173.8 | -68 | 177.7 | 0 | 0 | 0 | 111.7 | W134 T137 F138 L141 A342 A343 L349 S350 | W134-L346 HydrophobicContact CD2-CD2 3.95Å; W134-L346 HydrophobicContact CE3-CD2 4.3Å; W134-L346 HydrophobicContact CG-CD2 4.37Å; W134-L346 HydrophobicContact CH2-CD2 4.42Å; W134-L346 HydrophobicContact CZ2-CD2 4.08Å; W134-L346 HydrophobicContact CZ3-CD2 4.48Å; W134-L346 PolarHBondContact NE1-O 3.32Å; T137-L346 HydrophobicContact CG2-CD2 4Å; T137-L346 HydrophobicContact CG2-CG 4.46Å; F138-L346 HydrophobicContact CB-CD2 4.22Å; F138-L346 HydrophobicContact CD2-CD1 4.24Å; L141-L346 HydrophobicContact CD1-CD1 3.69Å; L141-L346 HydrophobicContact CD1-CG 4.33Å; A342-L346 WeakPolarHBondContact O-CG 3.2Å; A342-L346 PolarHBondContact O-N 2.91Å; A342-L346 VanDerWaalsContact O-N 3.09Å; A343-L346 PolarHBondContact O-N 3.49Å; L346-L349 PolarHBondContact O-N 3.46Å; L346-S350 WeakPolarHBondContact O-CB 3.5Å; L346-S350 PolarHBondContact O-N 3.48Å; L346-S350 PolarHBondContact O-OG 3.44Å; L346-S350 VanDerWaalsContact O-OG 3.06Å |
| 347 | C | 91 | Very high | 91 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 12% | 0.122 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.9 | -173 | 0 | 0 | 0 | 0 | 112.1 | F194 V197 A343 G344 S345 S350 T351 | F194-C347 VanDerWaalsContact CA-SG 3.53Å; F194-C347 WeakPolarHBondContact CB-SG 3.27Å; F194-C347 WeakPolarHBondContact CD1-SG 3.44Å; V197-C347 HydrophobicContact CG1-CB 4.32Å; A343-C347 WeakPolarHBondContact O-CB 3.47Å; A343-C347 PolarHBondContact O-N 3.16Å; A343-C347 VanDerWaalsContact O-N 3.09Å; G344-C347 WeakPolarHBondContact O-CB 3.35Å; G344-C347 PolarHBondContact O-N 3.43Å; S345-C347 VanDerWaalsContact C-N 3.34Å; S345-C347 PolarHBondContact O-N 2.98Å; C347-S350 PolarHBondContact O-N 3.44Å; C347-T351 PolarHBondContact O-N 3.42Å; C347-T351 PolarHBondContact O-OG1 2.84Å |
| 348 | A | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y53 N198 G344 S345 S350 T351 S352 | Y53-A348 HydrophobicContact CD2-CB 3.88Å; Y53-A348 HydrophobicContact CE2-CB 3.24Å; N198-A348 HydrophobicContact CB-CB 4.07Å; N198-A348 WeakPolarHBondContact ND2-CB 3.41Å; N198-A348 VanDerWaalsContact OD1-CB 3.25Å; N198-A348 WeakPolarHBondContact OD1-CB 3.49Å; G344-A348 WeakPolarHBondContact O-CB 3.44Å; G344-A348 PolarHBondContact O-N 2.95Å; S345-A348 WeakPolarHBondContact O-CB 3.47Å; S345-A348 PolarHBondContact O-N 2.87Å; A348-S350 VanDerWaalsContact C-N 3.34Å; A348-S350 PolarHBondContact O-N 2.91Å; A348-T351 WeakPolarHBondContact O-CB 3.45Å; A348-T351 PolarHBondContact O-N 3.5Å; A348-T351 VanDerWaalsContact O-N 3.13Å; A348-S352 PolarHBondContact O-N 2.95Å |
| 349 | L | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 178.6 | -69 | 168.7 | 0 | 0 | 0 | 111.3 | A50 V130 A133 W134 S345 L346 T351 S352 L353 | A50-L349 HydrophobicContact CB-CD2 3.86Å; V130-L349 HydrophobicContact CG1-CB 4.4Å; V130-L349 HydrophobicContact CG1-CD2 4.12Å; V130-L349 VanDerWaalsContact CG1-O 3.24Å; V130-L349 WeakPolarHBondContact CG1-O 3.18Å; A133-L349 HydrophobicContact CB-CD2 4.01Å; W134-L349 HydrophobicContact CB-CB 4.21Å; W134-L349 HydrophobicContact CB-CD1 4.4Å; W134-L349 HydrophobicContact CG-CB 4.21Å; S345-L349 WeakPolarHBondContact O-CB 3.36Å; S345-L349 WeakPolarHBondContact O-CD1 3.36Å; S345-L349 WeakPolarHBondContact O-CG 3.3Å; S345-L349 PolarHBondContact O-N 3.36Å; L346-L349 PolarHBondContact O-N 3.46Å; L349-T351 VanDerWaalsContact C-N 3.33Å; L349-T351 PolarHBondContact O-N 3.42Å; L349-S352 PolarHBondContact O-N 3.22Å; L349-L353 VanDerWaalsContact O-CB 3.25Å; L349-L353 WeakPolarHBondContact O-CB 3.38Å; L349-L353 PolarHBondContact O-N 2.99Å |
| 350 | S | 91.7 | Very high | 91.3 | Very high | 22 Ų | 22 | 11.5 Ų | 11.5 | 15% | 0.154 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 172.2 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | W134 L346 C347 A348 L354 | W134-S350 PolarHBondContact NE1-OG 2.92Å; L346-S350 WeakPolarHBondContact O-CB 3.5Å; L346-S350 PolarHBondContact O-N 3.48Å; L346-S350 PolarHBondContact O-OG 3.44Å; L346-S350 VanDerWaalsContact O-OG 3.06Å; C347-S350 PolarHBondContact O-N 3.44Å; A348-S350 VanDerWaalsContact C-N 3.34Å; A348-S350 PolarHBondContact O-N 2.91Å; S350-L354 WeakPolarHBondContact O-CG 3.44Å; S350-L354 PolarHBondContact O-N 2.86Å |
| 351 | T | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 175.8 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | N191 F194 T195 C347 A348 L349 L353 L354 G355 | N191-T351 WeakPolarHBondContact OD1-CG2 3.32Å; F194-T351 HydrophobicContact CB-CG2 4.47Å; F194-T351 WeakPolarHBondContact CB-OG1 2.96Å; T195-T351 WeakPolarHBondContact OG1-CG2 2.92Å; C347-T351 PolarHBondContact O-N 3.42Å; C347-T351 PolarHBondContact O-OG1 2.84Å; A348-T351 WeakPolarHBondContact O-CB 3.45Å; A348-T351 PolarHBondContact O-N 3.5Å; A348-T351 VanDerWaalsContact O-N 3.13Å; L349-T351 VanDerWaalsContact C-N 3.33Å; L349-T351 PolarHBondContact O-N 3.42Å; T351-L353 VanDerWaalsContact C-N 3.29Å; T351-L353 PolarHBondContact O-N 2.99Å; T351-L354 PolarHBondContact O-N 2.84Å; T351-G355 PolarHBondContact O-N 3.2Å |
| 352 | S | 92.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 8.7 Ų | 8.7 | 4% | 0.035 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 112 | G45 S46 A348 L349 G355 S356 | G45-S352 WeakPolarHBondContact O-CA 3.34Å; G45-S352 WeakPolarHBondContact O-CB 3.37Å; G45-S352 PolarHBondContact O-N 3.04Å; S46-S352 PolarHBondContact O-OG 3.27Å; A348-S352 PolarHBondContact O-N 2.95Å; L349-S352 PolarHBondContact O-N 3.22Å; S352-G355 PolarHBondContact O-N 3.09Å; S352-S356 WeakPolarHBondContact O-CB 3.48Å; S352-S356 PolarHBondContact O-N 2.98Å; S352-S356 PolarHBondContact O-OG 3.45Å |
| 353 | L | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.4 | -46.7 | 174.8 | -170.6 | 51.4 | 0 | 0 | 0 | 111.5 | T127 V130 A131 L172 L176 L349 T351 G355 S356 I357 | T127-L353 HydrophobicContact CG2-CD1 3.71Å; T127-L353 WeakPolarHBondContact O-CD1 3.41Å; V130-L353 HydrophobicContact CB-CD1 4.36Å; V130-L353 HydrophobicContact CG1-CB 3.88Å; A131-L353 HydrophobicContact CB-CD1 4.17Å; A131-L353 HydrophobicContact CB-CD2 4.09Å; L172-L353 HydrophobicContact CD2-CD2 3.68Å; L172-L353 HydrophobicContact CG-CD2 3.86Å; L176-L353 HydrophobicContact CD1-CB 4.1Å; L176-L353 HydrophobicContact CD1-CD2 3.32Å; L176-L353 HydrophobicContact CD1-CG 3.54Å; L349-L353 VanDerWaalsContact O-CB 3.25Å; L349-L353 WeakPolarHBondContact O-CB 3.38Å; L349-L353 PolarHBondContact O-N 2.99Å; T351-L353 VanDerWaalsContact C-N 3.29Å; T351-L353 PolarHBondContact O-N 2.99Å; L353-G355 VanDerWaalsContact C-N 3.33Å; L353-G355 PolarHBondContact O-N 2.66Å; L353-S356 PolarHBondContact O-N 3.15Å; L353-I357 HydrophobicContact CD1-CD1 4.02Å; L353-I357 HydrophobicContact CD1-CG1 4.38Å; L353-I357 HydrophobicContact CG-CD1 4.07Å; L353-I357 VanDerWaalsContact O-CG1 3.3Å; L353-I357 WeakPolarHBondContact O-CG1 3Å; L353-I357 PolarHBondContact O-N 2.96Å |
| 354 | L | 90.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 6.1 Ų | 6.1 | 2% | 0.016 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 171.7 | -76.9 | 173.1 | 0 | 0 | 0 | 111.4 | L176 L179 L180 V190 S350 T351 S356 I357 F358 | L176-L354 HydrophobicContact CB-CD2 4.39Å; L176-L354 HydrophobicContact CD2-CD2 4.01Å; L176-L354 HydrophobicContact CD2-CG 4.37Å; L179-L354 HydrophobicContact CD2-CD2 4.42Å; L180-L354 HydrophobicContact CD1-CD2 4.26Å; L180-L354 HydrophobicContact CD2-CD2 4.33Å; L180-L354 HydrophobicContact CG-CD2 4.15Å; V190-L354 HydrophobicContact CG1-CD1 4.31Å; S350-L354 WeakPolarHBondContact O-CG 3.44Å; S350-L354 PolarHBondContact O-N 2.86Å; T351-L354 PolarHBondContact O-N 2.84Å; L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 3.28Å; L354-I357 PolarHBondContact O-N 3.02Å; L354-F358 WeakPolarHBondContact O-CB 3.45Å; L354-F358 PolarHBondContact O-N 3.32Å |
| 355 | G | 89.9 | Confident | 91.8 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.7 | -30.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T351 S352 L353 P359 | T351-G355 PolarHBondContact O-N 3.2Å; S352-G355 PolarHBondContact O-N 3.09Å; L353-G355 VanDerWaalsContact C-N 3.33Å; L353-G355 PolarHBondContact O-N 2.66Å; G355-P359 WeakPolarHBondContact O-CD 3.31Å |
| 356 | S | 90 | Very high | 91.8 | Very high | 13 Ų | 13 | 6.5 Ų | 6.5 | 9% | 0.091 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -83 | -39.3 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | S352 L353 L354 F358 P359 | S352-S356 WeakPolarHBondContact O-CB 3.48Å; S352-S356 PolarHBondContact O-N 2.98Å; S352-S356 PolarHBondContact O-OG 3.45Å; L353-S356 PolarHBondContact O-N 3.15Å; L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 3.28Å; S356-F358 VanDerWaalsContact C-N 3.34Å; S356-P359 WeakPolarHBondContact O-CD 3.34Å |
| 357 | I | 91.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -72.9 | -31.2 | 177.6 | -58.4 | 166.9 | 0 | 0 | 0 | 110.6 | T127 L176 L180 L353 L354 M360 P361 | T127-I357 HydrophobicContact CG2-CD1 3.76Å; T127-I357 HydrophobicContact CG2-CG1 3.36Å; T127-I357 WeakPolarHBondContact OG1-CG1 3.29Å; L176-I357 HydrophobicContact CB-CD1 3.98Å; L180-I357 HydrophobicContact CD1-CB 3.54Å; L180-I357 HydrophobicContact CD1-CG2 3.27Å; L353-I357 HydrophobicContact CD1-CD1 4.02Å; L353-I357 HydrophobicContact CD1-CG1 4.38Å; L353-I357 HydrophobicContact CG-CD1 4.07Å; L353-I357 VanDerWaalsContact O-CG1 3.3Å; L353-I357 WeakPolarHBondContact O-CG1 3Å; L353-I357 PolarHBondContact O-N 2.96Å; L354-I357 PolarHBondContact O-N 3.02Å; I357-M360 PolarHBondContact O-N 2.99Å; I357-P361 WeakPolarHBondContact O-CD 3.47Å |
| 358 | F | 90.8 | Very high | 92 | Very high | 7 Ų | 7 | 4.4 Ų | 4.4 | 3% | 0.031 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -56.5 | -176.4 | -169.8 | -92 | 0 | 0 | 0 | 114.5 | L34 L42 L180 V184 T277 L354 S356 M360 P361 R362 | L34-F358 HydrophobicContact CD1-CZ 4.31Å; L42-F358 HydrophobicContact CD1-CB 4.49Å; L42-F358 HydrophobicContact CD1-CD1 4.24Å; L42-F358 HydrophobicContact CD1-CG 4.33Å; L42-F358 HydrophobicContact CD2-CD1 4.02Å; L42-F358 HydrophobicContact CD2-CE1 4.08Å; L180-F358 HydrophobicContact CD2-CD2 3.79Å; V184-F358 HydrophobicContact CB-CE2 4.43Å; V184-F358 HydrophobicContact CG1-CE2 3.75Å; V184-F358 HydrophobicContact CG1-CZ 3.64Å; V184-F358 HydrophobicContact CG2-CE2 4.33Å; T277-F358 HydrophobicContact CG2-CD1 4.08Å; T277-F358 HydrophobicContact CG2-CE1 3.51Å; L354-F358 WeakPolarHBondContact O-CB 3.45Å; L354-F358 PolarHBondContact O-N 3.32Å; S356-F358 VanDerWaalsContact C-N 3.34Å; F358-M360 VanDerWaalsContact C-N 3.28Å; F358-M360 PolarHBondContact O-N 3.17Å; F358-P361 WeakPolarHBondContact O-CD 3.46Å; F358-R362 VanDerWaalsContact CD1-NH1 3.25Å; F358-R362 VanDerWaalsContact CE1-NH1 3.29Å; F358-R362 VanDerWaalsContact CE2-NH2 3.29Å; F358-R362 PolarHBondContact O-NH1 3.14Å |
| 359 | P | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20.9 | -177.2 | 29.5 | -38 | 0 | 0 | 0 | 113.8 | Y123 C273 T276 G355 S356 R362 V363 | Y123-P359 HydrophobicContact CD1-CG 3.62Å; Y123-P359 HydrophobicContact CD2-CB 4.4Å; Y123-P359 HydrophobicContact CD2-CG 4.19Å; Y123-P359 HydrophobicContact CE1-CB 4.06Å; Y123-P359 HydrophobicContact CE1-CG 3.37Å; Y123-P359 HydrophobicContact CE2-CB 3.83Å; Y123-P359 HydrophobicContact CE2-CG 3.92Å; Y123-P359 HydrophobicContact CG-CG 4.05Å; C273-P359 HydrophobicContact CB-CB 4.07Å; C273-P359 HydrophobicContact CB-CG 3.77Å; T276-P359 HydrophobicContact CG2-CB 3.85Å; G355-P359 WeakPolarHBondContact O-CD 3.31Å; S356-P359 WeakPolarHBondContact O-CD 3.34Å; P359-R362 WeakPolarHBondContact O-CB 3.44Å; P359-R362 PolarHBondContact O-N 3.12Å; P359-V363 PolarHBondContact O-N 2.75Å |
| 360 | M | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.4 | -51.1 | -171.5 | 177.8 | -165.5 | -47.9 | 0 | 0 | 114 | Y123 V124 T127 I357 F358 R362 V363 I364 S394 | Y123-M360 HydrophobicContact CD2-CB 4.34Å; Y123-M360 HydrophobicContact CG-CB 4.32Å; Y123-M360 WeakPolarHBondContact O-CE 3.43Å; V124-M360 HydrophobicContact CB-CE 4.47Å; V124-M360 HydrophobicContact CG2-CE 4.04Å; V124-M360 HydrophobicContact CG2-CG 4.49Å; V124-M360 HydrophobicContact CG2-SD 3.73Å; T127-M360 WeakPolarHBondContact OG1-CE 3.14Å; I357-M360 PolarHBondContact O-N 2.99Å; F358-M360 VanDerWaalsContact C-N 3.28Å; F358-M360 PolarHBondContact O-N 3.17Å; M360-R362 PolarHBondContact O-N 2.92Å; M360-V363 PolarHBondContact O-N 3.05Å; M360-I364 HydrophobicContact CG-CD1 4.23Å; M360-I364 WeakPolarHBondContact O-CG1 3.49Å; M360-I364 PolarHBondContact O-N 3.34Å; M360-S394 WeakPolarHBondContact SD-CB 3.46Å; M360-S394 PolarHBondContact SD-OG 3.05Å |
| 361 | P | 92.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 3% | 0.026 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.4 | -26.2 | 178 | -23.7 | 34.8 | 0 | 0 | 0 | 113.4 | I357 F358 Y365 P387 A390 T391 | I357-P361 WeakPolarHBondContact O-CD 3.47Å; F358-P361 WeakPolarHBondContact O-CD 3.46Å; P361-Y365 WeakPolarHBondContact O-CB 3.49Å; P361-Y365 PolarHBondContact O-N 3.34Å; P361-P387 HydrophobicContact CB-CG 3.84Å; P361-A390 HydrophobicContact CB-CB 3.98Å; P361-T391 WeakPolarHBondContact CB-OG1 3.25Å; P361-T391 HydrophobicContact CG-CG2 4.05Å; P361-T391 VanDerWaalsContact CG-OG1 3.27Å; P361-T391 WeakPolarHBondContact CG-OG1 3.43Å |
| 362 | R | 91.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 6.7 Ų | 6.7 | 5% | 0.049 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -74.2 | -40.5 | -178.1 | -73.5 | 172.6 | 179.9 | 84.8 | -1.9 | 112 | T96 T276 E280 F358 P359 M360 A366 | T96-R362 HydrophobicContact CG2-CB 3.6Å; T96-R362 HydrophobicContact CG2-CG 4.24Å; T96-R362 WeakPolarHBondContact CG2-O 3.36Å; T276-R362 HydrophobicContact CG2-CB 3.75Å; E280-R362 VanDerWaalsContact CD-NE 3.34Å; E280-R362 IonicContact OE1-CZ 3.14Å; E280-R362 VanDerWaalsContact OE1-CZ 3.22Å; E280-R362 IonicContact OE1-NE 3.12Å; E280-R362 PolarHBondContact OE1-NE 2.96Å; E280-R362 IonicContact OE1-NH2 3.34Å; E280-R362 PolarHBondContact OE1-NH2 3.29Å; E280-R362 IonicContact OE2-CZ 2.73Å; E280-R362 IonicContact OE2-NE 2.68Å; E280-R362 PolarHBondContact OE2-NE 3.03Å; E280-R362 IonicContact OE2-NH2 3.49Å; E280-R362 PolarHBondContact OE2-NH2 2.95Å; F358-R362 VanDerWaalsContact CD1-NH1 3.25Å; F358-R362 VanDerWaalsContact CE1-NH1 3.29Å; F358-R362 VanDerWaalsContact CE2-NH2 3.29Å; F358-R362 PolarHBondContact O-NH1 3.14Å; P359-R362 WeakPolarHBondContact O-CB 3.44Å; P359-R362 PolarHBondContact O-N 3.12Å; M360-R362 PolarHBondContact O-N 2.92Å; R362-A366 WeakPolarHBondContact O-CB 3.19Å; R362-A366 PolarHBondContact O-N 3.21Å |
| 363 | V | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 172 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | L119 I120 Y123 T276 P359 M360 Y365 A366 M367 | L119-V363 HydrophobicContact CB-CG1 4.25Å; L119-V363 HydrophobicContact CD1-CG1 4.47Å; L119-V363 HydrophobicContact CD1-CG2 4.33Å; I120-V363 HydrophobicContact CG1-CG1 4.08Å; Y123-V363 HydrophobicContact CE2-CG2 4.02Å; T276-V363 HydrophobicContact CG2-CG2 3.86Å; P359-V363 PolarHBondContact O-N 2.75Å; M360-V363 PolarHBondContact O-N 3.05Å; V363-Y365 VanDerWaalsContact C-N 3.34Å; V363-Y365 PolarHBondContact O-N 3.39Å; V363-A366 PolarHBondContact O-N 3.24Å; V363-M367 HydrophobicContact CG1-SD 4.14Å; V363-M367 WeakPolarHBondContact O-CG 3.33Å; V363-M367 PolarHBondContact O-N 3.45Å |
| 364 | I | 94.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 11.3 Ų | 11.3 | 5% | 0.051 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 177.3 | -66.1 | 170.5 | 0 | 0 | 0 | 110.8 | I120 M360 M367 A368 L373 L377 A390 S394 | I120-I364 HydrophobicContact CD1-CG1 3.72Å; I120-I364 HydrophobicContact CG1-CG1 3.79Å; I120-I364 HydrophobicContact CG2-CD1 4.47Å; M360-I364 HydrophobicContact CG-CD1 4.23Å; M360-I364 WeakPolarHBondContact O-CG1 3.49Å; M360-I364 PolarHBondContact O-N 3.34Å; I364-M367 PolarHBondContact O-N 3.22Å; I364-A368 VanDerWaalsContact O-CB 3.24Å; I364-A368 WeakPolarHBondContact O-CB 3.39Å; I364-A368 PolarHBondContact O-N 2.92Å; I364-L373 HydrophobicContact CG2-CD1 4.32Å; I364-L377 HydrophobicContact CG2-CB 3.82Å; I364-L377 HydrophobicContact CG2-CD1 3.86Å; I364-L377 HydrophobicContact CG2-CD2 4.29Å; I364-L377 HydrophobicContact CG2-CG 4.21Å; I364-A390 HydrophobicContact CB-CB 4.18Å; I364-A390 HydrophobicContact CG2-CB 3.84Å; I364-S394 VanDerWaalsContact CD1-CB 3.43Å |
| 365 | Y | 92.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 175.8 | 166.4 | -93.7 | 0 | 0 | 0 | 111.3 | K29 P361 V363 M367 A368 E369 A378 I380 P387 | K29-Y365 WeakPolarHBondContact CD-OH 3.32Å; P361-Y365 WeakPolarHBondContact O-CB 3.49Å; P361-Y365 PolarHBondContact O-N 3.34Å; V363-Y365 VanDerWaalsContact C-N 3.34Å; V363-Y365 PolarHBondContact O-N 3.39Å; Y365-M367 PolarHBondContact O-N 3.07Å; Y365-A368 PolarHBondContact O-N 2.82Å; Y365-E369 VanDerWaalsContact CE1-OE2 3.24Å; Y365-E369 WeakPolarHBondContact CE1-OE2 3.45Å; Y365-E369 VanDerWaalsContact CZ-OE2 3.29Å; Y365-E369 WeakPolarHBondContact O-CB 3.17Å; Y365-E369 PolarHBondContact O-N 3.36Å; Y365-E369 PolarHBondContact OH-OE1 2.96Å; Y365-E369 PolarHBondContact OH-OE2 3.48Å; Y365-A378 HydrophobicContact CD2-CB 4.49Å; Y365-A378 VanDerWaalsContact CE2-O 3.26Å; Y365-A378 WeakPolarHBondContact CE2-O 3.47Å; Y365-I380 HydrophobicContact CD2-CD1 4.22Å; Y365-I380 HydrophobicContact CD2-CG1 3.99Å; Y365-I380 HydrophobicContact CE2-CD1 3.37Å; Y365-I380 HydrophobicContact CE2-CG1 3.52Å; Y365-P387 HydrophobicContact CD2-CB 4.29Å |
| 366 | A | 91.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 6% | 0.058 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y100 R362 V363 E369 D370 | Y100-A366 HydrophobicContact CD1-CB 4.35Å; Y100-A366 HydrophobicContact CE1-CB 4.3Å; R362-A366 WeakPolarHBondContact O-CB 3.19Å; R362-A366 PolarHBondContact O-N 3.21Å; V363-A366 PolarHBondContact O-N 3.24Å; A366-E369 PolarHBondContact O-N 3.49Å; A366-D370 PolarHBondContact O-N 3.31Å; A366-D370 VanDerWaalsContact O-N 3.15Å |
| 367 | M | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.7 | -34.7 | 176.7 | -68.2 | -179.6 | 74.7 | 0 | 0 | 112.8 | Y100 F113 G116 I120 V363 I364 Y365 G371 L372 L373 | Y100-M367 HydrophobicContact CD1-CG 4.12Å; Y100-M367 HydrophobicContact CD2-CG 3.79Å; Y100-M367 HydrophobicContact CD2-SD 4.36Å; Y100-M367 HydrophobicContact CE1-CG 4.01Å; Y100-M367 HydrophobicContact CE2-CE 4.5Å; Y100-M367 HydrophobicContact CE2-CG 3.7Å; Y100-M367 HydrophobicContact CG-CG 4.01Å; F113-M367 HydrophobicContact CD2-CE 3.63Å; F113-M367 HydrophobicContact CE2-CE 3.89Å; F113-M367 HydrophobicContact CG-CE 4.42Å; G116-M367 VanDerWaalsContact C-SD 3.57Å; I120-M367 HydrophobicContact CD1-SD 3.64Å; V363-M367 HydrophobicContact CG1-SD 4.14Å; V363-M367 WeakPolarHBondContact O-CG 3.33Å; V363-M367 PolarHBondContact O-N 3.45Å; I364-M367 PolarHBondContact O-N 3.22Å; Y365-M367 PolarHBondContact O-N 3.07Å; M367-G371 PolarHBondContact O-N 3.18Å; M367-L372 PolarHBondContact O-N 3Å; M367-L373 HydrophobicContact CB-CB 4.42Å; M367-L373 HydrophobicContact CB-CD1 3.73Å; M367-L373 HydrophobicContact CB-CG 3.89Å; M367-L373 HydrophobicContact CE-CD1 4.3Å; M367-L373 HydrophobicContact CE-CG 4.23Å; M367-L373 PolarHBondContact O-N 3.08Å; M367-L373 HydrophobicContact SD-CD1 4.09Å |
| 368 | A | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -75.5 | -34.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I364 Y365 D370 G371 L373 L377 A378 | I364-A368 VanDerWaalsContact O-CB 3.24Å; I364-A368 WeakPolarHBondContact O-CB 3.39Å; I364-A368 PolarHBondContact O-N 2.92Å; Y365-A368 PolarHBondContact O-N 2.82Å; A368-D370 VanDerWaalsContact C-N 3.3Å; A368-G371 PolarHBondContact O-N 3.24Å; A368-G371 VanDerWaalsContact O-N 3.14Å; A368-L373 HydrophobicContact CB-CB 4.14Å; A368-L377 HydrophobicContact CB-CB 3.8Å; A368-A378 HydrophobicContact CB-CB 3.83Å |
| 369 | E | 90.2 | Very high | 91.6 | Very high | 62 Ų | 62 | 25.7 Ų | 25.7 | 29% | 0.29 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 172.1 | -178.3 | 164.4 | -143.1 | 0 | 0 | 110.5 | K29 Y365 A366 G371 L607 | K29-E369 IonicContact NZ-OE1 3.84Å; K29-E369 PolarHBondContact NZ-OE1 3.19Å; Y365-E369 VanDerWaalsContact CE1-OE2 3.24Å; Y365-E369 WeakPolarHBondContact CE1-OE2 3.45Å; Y365-E369 VanDerWaalsContact CZ-OE2 3.29Å; Y365-E369 WeakPolarHBondContact O-CB 3.17Å; Y365-E369 PolarHBondContact O-N 3.36Å; Y365-E369 PolarHBondContact OH-OE1 2.96Å; Y365-E369 PolarHBondContact OH-OE2 3.48Å; A366-E369 PolarHBondContact O-N 3.49Å; E369-G371 PolarHBondContact O-N 3.46Å; E369-L607 WeakPolarHBondContact O-CD1 3.43Å |
| 370 | D | 90 | Very high | 91.4 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -6.1 | 176.1 | -68 | -22.4 | 0 | 0 | 0 | 114.1 | K18 Y100 Y104 A366 A368 L372 L607 | K18-D370 IonicContact NZ-OD1 2.72Å; K18-D370 PolarHBondContact NZ-OD1 2.95Å; K18-D370 IonicContact NZ-OD2 3.41Å; K18-D370 PolarHBondContact NZ-OD2 3.46Å; Y100-D370 VanDerWaalsContact CE1-OD2 3.31Å; Y100-D370 WeakPolarHBondContact CE1-OD2 3.48Å; Y100-D370 VanDerWaalsContact OH-CB 3.32Å; Y100-D370 WeakPolarHBondContact OH-CB 3.12Å; Y100-D370 PolarHBondContact OH-OD2 3.41Å; Y104-D370 HydrophobicContact CE1-CB 4.11Å; A366-D370 PolarHBondContact O-N 3.31Å; A366-D370 VanDerWaalsContact O-N 3.15Å; A368-D370 VanDerWaalsContact C-N 3.3Å; D370-L372 VanDerWaalsContact C-N 3.32Å; D370-L372 HydrophobicContact CB-CG 4.34Å; D370-L607 PolarHBondContact O-N 3.42Å; D370-L607 VanDerWaalsContact O-N 3.11Å |
| 371 | G | 89.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 8.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | M367 A368 E369 H605 | M367-G371 PolarHBondContact O-N 3.18Å; A368-G371 PolarHBondContact O-N 3.24Å; A368-G371 VanDerWaalsContact O-N 3.14Å; E369-G371 PolarHBondContact O-N 3.46Å; G371-H605 CarbonylContact O-C 3.45Å; G371-H605 WeakPolarHBondContact O-CB 3.01Å |
| 372 | L | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -78.6 | -25.2 | 176.2 | -57.3 | -173 | 0 | 0 | 0 | 112.5 | Y100 Y104 E109 F113 M367 D370 Y598 | Y100-L372 HydrophobicContact CE2-CD1 3.72Å; Y100-L372 VanDerWaalsContact OH-CD1 3.23Å; Y100-L372 WeakPolarHBondContact OH-CD1 3.48Å; Y104-L372 HydrophobicContact CE1-CD1 4.16Å; E109-L372 HydrophobicContact CG-CD1 4.26Å; E109-L372 HydrophobicContact CG-CD2 3.79Å; F113-L372 HydrophobicContact CB-CD1 4.43Å; F113-L372 HydrophobicContact CD2-CB 4.25Å; M367-L372 PolarHBondContact O-N 3Å; D370-L372 VanDerWaalsContact C-N 3.32Å; D370-L372 HydrophobicContact CB-CG 4.34Å; L372-Y598 HydrophobicContact CD2-CE2 4.1Å |
| 373 | L | 93.8 | Very high | 90 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -117.7 | 168.3 | 169.2 | -67.9 | -179 | 0 | 0 | 0 | 111.1 | F113 W117 I120 I364 M367 A368 K375 L377 I597 Y601 | F113-L373 HydrophobicContact CE2-CD2 4.26Å; W117-L373 HydrophobicContact CZ3-CD2 4.45Å; I120-L373 HydrophobicContact CD1-CD1 3.93Å; I364-L373 HydrophobicContact CG2-CD1 4.32Å; M367-L373 HydrophobicContact CB-CB 4.42Å; M367-L373 HydrophobicContact CB-CD1 3.73Å; M367-L373 HydrophobicContact CB-CG 3.89Å; M367-L373 HydrophobicContact CE-CD1 4.3Å; M367-L373 HydrophobicContact CE-CG 4.23Å; M367-L373 PolarHBondContact O-N 3.08Å; M367-L373 HydrophobicContact SD-CD1 4.09Å; A368-L373 HydrophobicContact CB-CB 4.14Å; L373-K375 PolarHBondContact O-N 2.91Å; L373-L377 HydrophobicContact CB-CD1 4.46Å; L373-I597 HydrophobicContact CD2-CG2 4.12Å; L373-Y601 VanDerWaalsContact O-CE1 3.31Å; L373-Y601 WeakPolarHBondContact O-CE1 3.4Å |
| 374 | F | 93.1 | Very high | 89.3 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | trans | -54.8 | 126.2 | -178.5 | -55.4 | -72.9 | 0 | 0 | 0 | 112.4 | C376 L377 I597 Y601 | F374-C376 PolarHBondContact O-N 2.91Å; F374-L377 HydrophobicContact CB-CD1 4.37Å; F374-L377 WeakPolarHBondContact O-CB 3.48Å; F374-L377 PolarHBondContact O-N 2.83Å; F374-I597 HydrophobicContact CE2-CG2 4.43Å; F374-I597 HydrophobicContact CZ-CG2 4.49Å; F374-Y601 HydrophobicContact CD1-CD1 4.31Å; F374-Y601 HydrophobicContact CD1-CD2 4.03Å; F374-Y601 HydrophobicContact CD1-CE1 4.33Å; F374-Y601 HydrophobicContact CD1-CE2 4.03Å; F374-Y601 HydrophobicContact CD1-CG 4.17Å; F374-Y601 HydrophobicContact CE1-CD2 4.07Å; F374-Y601 HydrophobicContact CE1-CG 4.11Å | ||
| 375 | K | 89.8 | Confident | 88.7 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -56.7 | -23.4 | -176.6 | -71.8 | -172.4 | 178.2 | -169.6 | 0 | 115.3 | L373 L377 A378 Y601 | L373-K375 PolarHBondContact O-N 2.91Å; K375-L377 PolarHBondContact O-N 3.47Å; K375-A378 WeakPolarHBondContact O-CB 3.13Å; K375-A378 PolarHBondContact O-N 2.96Å; K375-A378 VanDerWaalsContact O-N 3.11Å; K375-Y601 PolarHBondContact N-OH 3.44Å |
| 376 | C | 91.4 | Very high | 88.2 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 43% | 0.432 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -60.8 | -28.9 | 175.1 | 57 | 0 | 0 | 0 | 0 | 112.6 | F374 A378 Q379 | F374-C376 PolarHBondContact O-N 2.91Å; C376-A378 VanDerWaalsContact C-N 3.25Å; C376-A378 PolarHBondContact O-N 3.02Å; C376-Q379 PolarHBondContact O-N 3.06Å |
| 377 | L | 91.8 | Very high | 88.1 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -75 | -15.1 | 178.8 | -61.7 | 168 | 0 | 0 | 0 | 112.9 | I364 A368 L373 F374 K375 Q379 I389 | I364-L377 HydrophobicContact CG2-CB 3.82Å; I364-L377 HydrophobicContact CG2-CD1 3.86Å; I364-L377 HydrophobicContact CG2-CD2 4.29Å; I364-L377 HydrophobicContact CG2-CG 4.21Å; A368-L377 HydrophobicContact CB-CB 3.8Å; L373-L377 HydrophobicContact CB-CD1 4.46Å; F374-L377 HydrophobicContact CB-CD1 4.37Å; F374-L377 WeakPolarHBondContact O-CB 3.48Å; F374-L377 PolarHBondContact O-N 2.83Å; K375-L377 PolarHBondContact O-N 3.47Å; L377-Q379 VanDerWaalsContact C-N 3.32Å; L377-I389 HydrophobicContact CD2-CG2 4.07Å |
| 378 | A | 88.6 | Confident | 87.9 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -84.7 | -1.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y365 A368 K375 C376 I380 | Y365-A378 HydrophobicContact CD2-CB 4.49Å; Y365-A378 VanDerWaalsContact CE2-O 3.26Å; Y365-A378 WeakPolarHBondContact CE2-O 3.47Å; A368-A378 HydrophobicContact CB-CB 3.83Å; K375-A378 WeakPolarHBondContact O-CB 3.13Å; K375-A378 PolarHBondContact O-N 2.96Å; K375-A378 VanDerWaalsContact O-N 3.11Å; C376-A378 VanDerWaalsContact C-N 3.25Å; C376-A378 PolarHBondContact O-N 3.02Å; A378-I380 PolarHBondContact O-N 3.26Å |
| 379 | Q | 87.6 | Confident | 87.8 | Confident | 118 Ų | 118 | 55.9 Ų | 55.9 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 123.1 | -178.2 | -68.8 | -175.6 | -36.5 | 0 | 0 | 111.5 | C376 L377 I389 | C376-Q379 PolarHBondContact O-N 3.06Å; L377-Q379 VanDerWaalsContact C-N 3.32Å; Q379-I389 HydrophobicContact CB-CD1 4.39Å; Q379-I389 VanDerWaalsContact OE1-CD1 3.27Å |
| 380 | I | 87.1 | Confident | 87.8 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -100 | 135.7 | 175.2 | -64.3 | 170 | 0 | 0 | 0 | 109.5 | K29 L30 Y365 A378 | K29-I380 HydrophobicContact CB-CD1 3.74Å; K29-I380 HydrophobicContact CD-CD1 4.33Å; L30-I380 HydrophobicContact CD2-CD1 4.21Å; Y365-I380 HydrophobicContact CD2-CD1 4.22Å; Y365-I380 HydrophobicContact CD2-CG1 3.99Å; Y365-I380 HydrophobicContact CE2-CD1 3.37Å; Y365-I380 HydrophobicContact CE2-CG1 3.52Å; A378-I380 PolarHBondContact O-N 3.26Å |
| 381 | N | 84.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -72 | 132.1 | 172.2 | 179.9 | 26.8 | 0 | 0 | 0 | 111.5 | K383 T384 K385 T386 I388 | N381-K383 VanDerWaalsContact C-N 3.31Å; N381-K383 PolarHBondContact O-N 3.4Å; N381-T384 WeakPolarHBondContact CB-OG1 3.31Å; N381-T384 PolarHBondContact ND2-OG1 3.47Å; N381-K385 VanDerWaalsContact O-CA 3.25Å; N381-K385 WeakPolarHBondContact O-CA 3.44Å; N381-K385 PolarHBondContact O-N 3.17Å; N381-T386 PolarHBondContact N-O 2.95Å; N381-I388 HydrophobicContact CB-CD1 3.59Å; N381-I388 HydrophobicContact CB-CG1 4.05Å |
| 382 | S | 80.9 | Confident | 88.1 | Confident | 105 Ų | 105 | 57 Ų | 57 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31.3 | -176.9 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 383 | K | 81.1 | Confident | 88.2 | Confident | 191 Ų | 191 | 59.1 Ų | 59.1 | 83% | 0.83 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -50 | -178.4 | -66 | -171.8 | 179.5 | -176.3 | 0 | 113.1 | N381 | N381-K383 VanDerWaalsContact C-N 3.31Å; N381-K383 PolarHBondContact O-N 3.4Å |
| 384 | T | 77.9 | Confident | 88.2 | Confident | 41 Ų | 41 | 59 Ų | 59 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.7 | -174.2 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | F182 N381 T386 | F182-T384 WeakPolarHBondContact O-CG2 3.5Å; N381-T384 WeakPolarHBondContact CB-OG1 3.31Å; N381-T384 PolarHBondContact ND2-OG1 3.47Å; T384-T386 WeakPolarHBondContact CB-OG1 3.49Å; T384-T386 PolarHBondContact O-N 2.82Å; T384-T386 PolarHBondContact OG1-OG1 2.94Å |
| 385 | K | 82.3 | Confident | 88.2 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | trans | 52.7 | 34.8 | -170.9 | -60.3 | -172.3 | 175 | -171.4 | 0 | 112.7 | L30 C31 N381 | L30-K385 WeakPolarHBondContact CD2-O 3.44Å; C31-K385 HydrophobicContact CB-CD 4.11Å; N381-K385 VanDerWaalsContact O-CA 3.25Å; N381-K385 WeakPolarHBondContact O-CA 3.44Å; N381-K385 PolarHBondContact O-N 3.17Å | ||
| 386 | T | 82.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -119.9 | 147.9 | 179 | 54 | 0 | 0 | 0 | 0 | 112 | S181 V184 N381 T384 I388 | S181-T386 PolarHBondContact O-OG1 3.43Å; V184-T386 HydrophobicContact CG2-CG2 3.68Å; N381-T386 PolarHBondContact N-O 2.95Å; T384-T386 WeakPolarHBondContact CB-OG1 3.49Å; T384-T386 PolarHBondContact O-N 2.82Å; T384-T386 PolarHBondContact OG1-OG1 2.94Å; T386-I388 PolarHBondContact O-N 3.25Å; T386-I388 VanDerWaalsContact O-N 3.15Å |
| 387 | P | 87.8 | Confident | 88.6 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | trans | -82.2 | 86.4 | 176.2 | 33.6 | -35 | 0 | 0 | 0 | 111 | P361 Y365 A390 T391 | P361-P387 HydrophobicContact CB-CG 3.84Å; Y365-P387 HydrophobicContact CD2-CB 4.29Å; P387-A390 HydrophobicContact CB-CB 4.06Å; P387-A390 PolarHBondContact O-N 3.35Å; P387-T391 PolarHBondContact O-N 3.34Å; P387-T391 PolarHBondContact O-OG1 2.89Å | ||
| 388 | I | 89.6 | Confident | 88.7 | Confident | 52 Ų | 52 | 51 Ų | 51 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | -173.3 | -60.8 | 178.9 | 0 | 0 | 0 | 111.9 | N381 T386 A390 T391 L392 | N381-I388 HydrophobicContact CB-CD1 3.59Å; N381-I388 HydrophobicContact CB-CG1 4.05Å; T386-I388 PolarHBondContact O-N 3.25Å; T386-I388 VanDerWaalsContact O-N 3.15Å; I388-A390 VanDerWaalsContact C-N 3.34Å; I388-A390 PolarHBondContact O-N 3.33Å; I388-T391 WeakPolarHBondContact O-CB 3.41Å; I388-T391 PolarHBondContact O-N 3.47Å; I388-T391 VanDerWaalsContact O-N 3.11Å; I388-L392 HydrophobicContact CG2-CD1 3.85Å; I388-L392 HydrophobicContact CG2-CG 4.23Å; I388-L392 PolarHBondContact O-N 2.87Å |
| 389 | I | 91.3 | Very high | 89 | Confident | 70 Ų | 70 | 50 Ų | 50 | 36% | 0.359 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | -177.5 | -57.9 | 178.4 | 0 | 0 | 0 | 110.3 | L377 Q379 T391 S393 | L377-I389 HydrophobicContact CD2-CG2 4.07Å; Q379-I389 HydrophobicContact CB-CD1 4.39Å; Q379-I389 VanDerWaalsContact OE1-CD1 3.27Å; I389-T391 VanDerWaalsContact C-N 3.29Å; I389-T391 PolarHBondContact O-N 3.48Å; I389-S393 VanDerWaalsContact O-CB 3.3Å; I389-S393 WeakPolarHBondContact O-CB 3.45Å; I389-S393 PolarHBondContact O-N 2.69Å; I389-S393 PolarHBondContact O-OG 3.47Å |
| 390 | A | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P361 I364 P387 I388 S393 S394 | P361-A390 HydrophobicContact CB-CB 3.98Å; I364-A390 HydrophobicContact CB-CB 4.18Å; I364-A390 HydrophobicContact CG2-CB 3.84Å; P387-A390 HydrophobicContact CB-CB 4.06Å; P387-A390 PolarHBondContact O-N 3.35Å; I388-A390 VanDerWaalsContact C-N 3.34Å; I388-A390 PolarHBondContact O-N 3.33Å; A390-S393 PolarHBondContact O-OG 3.28Å; A390-S394 WeakPolarHBondContact O-CB 3.29Å; A390-S394 PolarHBondContact O-N 3.01Å; A390-S394 PolarHBondContact O-OG 3.06Å |
| 391 | T | 91.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -48.5 | -179.7 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | L180 P361 P387 I388 I389 S394 G395 | L180-T391 HydrophobicContact CB-CG2 4.28Å; P361-T391 WeakPolarHBondContact CB-OG1 3.25Å; P361-T391 HydrophobicContact CG-CG2 4.05Å; P361-T391 VanDerWaalsContact CG-OG1 3.27Å; P361-T391 WeakPolarHBondContact CG-OG1 3.43Å; P387-T391 PolarHBondContact O-N 3.34Å; P387-T391 PolarHBondContact O-OG1 2.89Å; I388-T391 WeakPolarHBondContact O-CB 3.41Å; I388-T391 PolarHBondContact O-N 3.47Å; I388-T391 VanDerWaalsContact O-N 3.11Å; I389-T391 VanDerWaalsContact C-N 3.29Å; I389-T391 PolarHBondContact O-N 3.48Å; T391-S394 PolarHBondContact O-OG 2.89Å; T391-G395 PolarHBondContact O-N 3.06Å |
| 392 | L | 92.6 | Very high | 89.8 | Confident | 87 Ų | 87 | 45.5 Ų | 45.5 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.1 | -41.1 | -178.4 | -66.3 | 177.3 | 0 | 0 | 0 | 112 | I388 A396 | I388-L392 HydrophobicContact CG2-CD1 3.85Å; I388-L392 HydrophobicContact CG2-CG 4.23Å; I388-L392 PolarHBondContact O-N 2.87Å; L392-A396 WeakPolarHBondContact O-CB 3.49Å; L392-A396 PolarHBondContact O-N 2.77Å |
| 393 | S | 93.5 | Very high | 90.2 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | I389 A390 A396 V397 | I389-S393 VanDerWaalsContact O-CB 3.3Å; I389-S393 WeakPolarHBondContact O-CB 3.45Å; I389-S393 PolarHBondContact O-N 2.69Å; I389-S393 PolarHBondContact O-OG 3.47Å; A390-S393 PolarHBondContact O-OG 3.28Å; S393-A396 PolarHBondContact O-N 2.89Å; S393-V397 WeakPolarHBondContact O-CG2 3.43Å; S393-V397 PolarHBondContact O-N 3.28Å; S393-V397 VanDerWaalsContact O-N 3.11Å |
| 394 | S | 93.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.5 | -37 | 179.2 | 79.5 | 0 | 0 | 0 | 0 | 112.2 | M360 I364 A390 T391 V397 A398 | M360-S394 WeakPolarHBondContact SD-CB 3.46Å; M360-S394 PolarHBondContact SD-OG 3.05Å; I364-S394 VanDerWaalsContact CD1-CB 3.43Å; A390-S394 WeakPolarHBondContact O-CB 3.29Å; A390-S394 PolarHBondContact O-N 3.01Å; A390-S394 PolarHBondContact O-OG 3.06Å; T391-S394 PolarHBondContact O-OG 2.89Å; S394-V397 PolarHBondContact O-N 2.84Å; S394-A398 PolarHBondContact O-N 2.99Å |
| 395 | G | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | I173 T391 A398 A399 | I173-G395 WeakPolarHBondContact CG2-O 3.2Å; T391-G395 PolarHBondContact O-N 3.06Å; G395-A398 PolarHBondContact O-N 3.07Å; G395-A399 WeakPolarHBondContact O-CB 3.43Å; G395-A399 PolarHBondContact O-N 3.22Å |
| 396 | A | 94.3 | Very high | 90.7 | Very high | 50 Ų | 50 | 35 Ų | 35 | 41% | 0.413 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L392 S393 A399 L400 | L392-A396 WeakPolarHBondContact O-CB 3.49Å; L392-A396 PolarHBondContact O-N 2.77Å; S393-A396 PolarHBondContact O-N 2.89Å; A396-A399 PolarHBondContact O-N 3.41Å; A396-L400 PolarHBondContact O-N 2.87Å |
| 397 | V | 94.3 | Very high | 90.3 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 35% | 0.345 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | V124 S393 S394 L400 M401 | V124-V397 HydrophobicContact CG1-CG1 3.88Å; S393-V397 WeakPolarHBondContact O-CG2 3.43Å; S393-V397 PolarHBondContact O-N 3.28Å; S393-V397 VanDerWaalsContact O-N 3.11Å; S394-V397 PolarHBondContact O-N 2.84Å; V397-L400 PolarHBondContact O-N 3.46Å; V397-M401 VanDerWaalsContact O-CG 3.31Å; V397-M401 WeakPolarHBondContact O-CG 3.36Å; V397-M401 PolarHBondContact O-N 2.86Å |
| 398 | A | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V124 T127 S128 I173 S394 G395 L400 M401 A402 | V124-A398 HydrophobicContact CG1-CB 4.2Å; T127-A398 HydrophobicContact CG2-CB 3.63Å; S128-A398 WeakPolarHBondContact OG-CA 3.42Å; S128-A398 PolarHBondContact OG-O 3.36Å; I173-A398 HydrophobicContact CG2-CB 4.28Å; S394-A398 PolarHBondContact O-N 2.99Å; G395-A398 PolarHBondContact O-N 3.07Å; A398-L400 VanDerWaalsContact C-N 3.33Å; A398-L400 PolarHBondContact O-N 3.48Å; A398-M401 PolarHBondContact O-N 3.5Å; A398-A402 PolarHBondContact O-N 3.16Å |
| 399 | A | 94.9 | Very high | 89 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 5% | 0.05 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V170 I173 L174 G395 A396 M401 A402 F403 | V170-A399 HydrophobicContact CG1-CB 4.17Å; V170-A399 HydrophobicContact CG2-CB 4.41Å; V170-A399 WeakPolarHBondContact CG2-O 3.43Å; I173-A399 HydrophobicContact CB-CB 4.37Å; I173-A399 HydrophobicContact CD1-CB 4.48Å; I173-A399 HydrophobicContact CG2-CB 4.17Å; L174-A399 HydrophobicContact CD2-CB 4.41Å; L174-A399 HydrophobicContact CG-CB 4.46Å; G395-A399 WeakPolarHBondContact O-CB 3.43Å; G395-A399 PolarHBondContact O-N 3.22Å; A396-A399 PolarHBondContact O-N 3.41Å; A399-M401 VanDerWaalsContact C-N 3.33Å; A399-M401 PolarHBondContact O-N 3.45Å; A399-A402 PolarHBondContact O-N 3.43Å; A399-F403 WeakPolarHBondContact O-CB 3.19Å; A399-F403 PolarHBondContact O-N 3.3Å |
| 400 | L | 93.5 | Very high | 88.4 | Confident | 94 Ų | 94 | 36 Ų | 36 | 49% | 0.492 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 175 | -178.1 | 63.7 | 0 | 0 | 0 | 112.2 | A396 V397 A398 F403 L404 | A396-L400 PolarHBondContact O-N 2.87Å; V397-L400 PolarHBondContact O-N 3.46Å; A398-L400 VanDerWaalsContact C-N 3.33Å; A398-L400 PolarHBondContact O-N 3.48Å; L400-F403 WeakPolarHBondContact O-CB 3.36Å; L400-F403 PolarHBondContact O-N 2.96Å; L400-L404 HydrophobicContact CD1-CD1 3.89Å; L400-L404 HydrophobicContact CD1-CG 4.25Å; L400-L404 HydrophobicContact CG-CD1 4Å; L400-L404 WeakPolarHBondContact O-CG 3.37Å; L400-L404 PolarHBondContact O-N 3.34Å; L400-L404 VanDerWaalsContact O-N 3.12Å |
| 401 | M | 90.9 | Very high | 87.6 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 16% | 0.163 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.3 | -70.4 | -69.5 | 157.4 | 0 | 0 | 111.9 | V124 S128 V397 A398 A399 F403 L404 F405 L410 | V124-M401 HydrophobicContact CG1-CG 4Å; S128-M401 WeakPolarHBondContact OG-CB 3.47Å; V397-M401 VanDerWaalsContact O-CG 3.31Å; V397-M401 WeakPolarHBondContact O-CG 3.36Å; V397-M401 PolarHBondContact O-N 2.86Å; A398-M401 PolarHBondContact O-N 3.5Å; A399-M401 VanDerWaalsContact C-N 3.33Å; A399-M401 PolarHBondContact O-N 3.45Å; M401-F403 VanDerWaalsContact C-N 3.26Å; M401-F403 PolarHBondContact O-N 3.34Å; M401-L404 PolarHBondContact O-N 3.34Å; M401-F405 HydrophobicContact CE-CE2 4.44Å; M401-F405 PolarHBondContact O-N 2.89Å; M401-F405 HydrophobicContact SD-CD2 3.67Å; M401-F405 HydrophobicContact SD-CE2 3.5Å; M401-F405 WeakPolarHBondContact SD-CE2 3.28Å; M401-L410 HydrophobicContact CB-CD2 4.35Å |
| 402 | A | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -31.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R132 A169 I173 A398 A399 | R132-A402 WeakPolarHBondContact CD-O 3.42Å; R132-A402 HydrophobicContact CG-CB 4.3Å; A169-A402 HydrophobicContact CB-CB 4.36Å; I173-A402 HydrophobicContact CD1-CB 3.67Å; A398-A402 PolarHBondContact O-N 3.16Å; A399-A402 PolarHBondContact O-N 3.43Å |
| 403 | F | 90.1 | Very high | 86 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 26% | 0.263 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71 | -39.6 | 177.3 | -177.3 | -91.2 | 0 | 0 | 0 | 112.7 | P165 F167 V170 A399 L400 M401 | P165-F403 HydrophobicContact CB-CD1 4.31Å; P165-F403 HydrophobicContact CB-CD2 3.72Å; P165-F403 HydrophobicContact CB-CE1 3.9Å; P165-F403 HydrophobicContact CB-CE2 3.27Å; P165-F403 HydrophobicContact CB-CG 4.23Å; P165-F403 HydrophobicContact CB-CZ 3.36Å; P165-F403 HydrophobicContact CG-CE2 4.29Å; P165-F403 HydrophobicContact CG-CZ 4.18Å; F167-F403 HydrophobicContact CD1-CE2 4.07Å; F167-F403 AromaticContact CE1-CE2 3.63Å; F167-F403 HydrophobicContact CE1-CE2 3.63Å; F167-F403 HydrophobicContact CE1-CZ 4.4Å; F167-F403 AromaticContact CZ-CE2 3.91Å; F167-F403 HydrophobicContact CZ-CE2 3.91Å; F167-F403 HydrophobicContact CZ-CZ 4.43Å; V170-F403 HydrophobicContact CG2-CB 3.92Å; V170-F403 HydrophobicContact CG2-CD2 4.11Å; A399-F403 WeakPolarHBondContact O-CB 3.19Å; A399-F403 PolarHBondContact O-N 3.3Å; L400-F403 WeakPolarHBondContact O-CB 3.36Å; L400-F403 PolarHBondContact O-N 2.96Å; M401-F403 VanDerWaalsContact C-N 3.26Å; M401-F403 PolarHBondContact O-N 3.34Å |
| 404 | L | 86.6 | Confident | 85.5 | Confident | 52 Ų | 52 | 33 Ų | 33 | 27% | 0.272 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -92.7 | -36.4 | -171.6 | -66.4 | 174.6 | 0 | 0 | 0 | 113.9 | L161 A162 L400 M401 | L161-L404 HydrophobicContact CD2-CB 4.13Å; L161-L404 WeakPolarHBondContact CD2-O 3.19Å; A162-L404 PolarHBondContact N-O 2.9Å; L400-L404 HydrophobicContact CD1-CD1 3.89Å; L400-L404 HydrophobicContact CD1-CG 4.25Å; L400-L404 HydrophobicContact CG-CD1 4Å; L400-L404 WeakPolarHBondContact O-CG 3.37Å; L400-L404 PolarHBondContact O-N 3.34Å; L400-L404 VanDerWaalsContact O-N 3.12Å; M401-L404 PolarHBondContact O-N 3.34Å |
| 405 | F | 84.4 | Confident | 84.9 | Confident | 45 Ų | 45 | 33 Ų | 33 | 20% | 0.197 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -110.5 | 148.8 | -167.6 | -65.5 | -75.1 | 0 | 0 | 0 | 113.3 | M401 L410 | M401-F405 HydrophobicContact CE-CE2 4.44Å; M401-F405 PolarHBondContact O-N 2.89Å; M401-F405 HydrophobicContact SD-CD2 3.67Å; M401-F405 HydrophobicContact SD-CE2 3.5Å; M401-F405 WeakPolarHBondContact SD-CE2 3.28Å; F405-L410 HydrophobicContact CB-CD1 4.27Å; F405-L410 HydrophobicContact CB-CD2 3.84Å; F405-L410 HydrophobicContact CB-CG 3.82Å; F405-L410 HydrophobicContact CG-CD2 4.49Å |
| 406 | D | 80.5 | Confident | 84.4 | Confident | 61 Ų | 61 | 33 Ų | 33 | 33% | 0.326 | 18% | 0.178 | S | C | . | . | trans | -80.8 | 160.3 | 174.6 | -161.7 | 25.6 | 0 | 0 | 0 | 112.8 | R132 K408 A409 L410 | R132-D406 IonicContact CZ-OD1 3.64Å; R132-D406 IonicContact NH2-OD1 2.81Å; R132-D406 PolarHBondContact NH2-OD1 3.18Å; D406-K408 PolarHBondContact O-N 3.01Å; D406-A409 WeakPolarHBondContact O-CB 3.43Å; D406-A409 PolarHBondContact O-N 3.32Å; D406-L410 WeakPolarHBondContact O-CG 3.27Å; D406-L410 PolarHBondContact O-N 3.09Å | ||
| 407 | L | 75.2 | Confident | 84 | Confident | 32 Ų | 32 | 30.7 Ų | 30.7 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54 | -48.7 | -176.5 | 178.8 | 62.3 | 0 | 0 | 0 | 112.3 | V54 S129 A133 A409 L410 V411 | V54-L407 HydrophobicContact CG1-CD2 4.25Å; S129-L407 VanDerWaalsContact O-CD1 3.23Å; S129-L407 WeakPolarHBondContact O-CD1 3.27Å; A133-L407 HydrophobicContact CB-CD1 4.47Å; A133-L407 HydrophobicContact CB-CD2 4.45Å; L407-A409 PolarHBondContact O-N 3.41Å; L407-L410 WeakPolarHBondContact O-CB 3.4Å; L407-L410 PolarHBondContact O-N 3.28Å; L407-V411 HydrophobicContact CD1-CG2 4.16Å; L407-V411 HydrophobicContact CG-CG2 4.42Å; L407-V411 VanDerWaalsContact O-CG2 3.31Å; L407-V411 WeakPolarHBondContact O-CG2 3Å; L407-V411 PolarHBondContact O-N 3.38Å |
| 408 | K | 74.4 | Confident | 83.7 | Confident | 104 Ų | 104 | 28.1 Ų | 28.1 | 45% | 0.452 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.9 | -48.7 | -178.2 | -168.7 | -179.6 | -167.9 | 74.5 | 0 | 112 | E58 D406 L410 V411 D412 | E58-K408 IonicContact OE1-NZ 3.42Å; E58-K408 PolarHBondContact OE1-NZ 3.32Å; D406-K408 PolarHBondContact O-N 3.01Å; K408-L410 VanDerWaalsContact C-N 3.26Å; K408-L410 PolarHBondContact O-N 3.26Å; K408-V411 PolarHBondContact O-N 3.09Å; K408-D412 PolarHBondContact O-N 3.4Å |
| 409 | A | 74.8 | Confident | 83.5 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D406 L407 M413 | D406-A409 WeakPolarHBondContact O-CB 3.43Å; D406-A409 PolarHBondContact O-N 3.32Å; L407-A409 PolarHBondContact O-N 3.41Å; A409-M413 WeakPolarHBondContact O-CB 3.46Å; A409-M413 PolarHBondContact O-N 2.9Å |
| 410 | L | 79.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -52.2 | 174.5 | -70.6 | 167.2 | 0 | 0 | 0 | 110.4 | I125 R132 M401 F405 D406 L407 K408 D412 M413 M414 | I125-L410 VanDerWaalsContact CG2-C 3.5Å; I125-L410 HydrophobicContact CG2-CB 3.75Å; I125-L410 HydrophobicContact CG2-CD2 4Å; I125-L410 HydrophobicContact CG2-CG 4.5Å; I125-L410 WeakPolarHBondContact CG2-O 3.45Å; R132-L410 HydrophobicContact CG-CD1 4.45Å; M401-L410 HydrophobicContact CB-CD2 4.35Å; F405-L410 HydrophobicContact CB-CD1 4.27Å; F405-L410 HydrophobicContact CB-CD2 3.84Å; F405-L410 HydrophobicContact CB-CG 3.82Å; F405-L410 HydrophobicContact CG-CD2 4.49Å; D406-L410 WeakPolarHBondContact O-CG 3.27Å; D406-L410 PolarHBondContact O-N 3.09Å; L407-L410 WeakPolarHBondContact O-CB 3.4Å; L407-L410 PolarHBondContact O-N 3.28Å; K408-L410 VanDerWaalsContact C-N 3.26Å; K408-L410 PolarHBondContact O-N 3.26Å; L410-D412 VanDerWaalsContact C-N 3.34Å; L410-D412 PolarHBondContact O-N 3.4Å; L410-M413 PolarHBondContact O-N 3.38Å; L410-M413 VanDerWaalsContact O-N 3.12Å; L410-M414 PolarHBondContact O-N 2.82Å |
| 411 | V | 75.4 | Confident | 83.2 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.3 | -46 | -178.3 | 168.9 | 0 | 0 | 0 | 0 | 112.6 | Y266 L407 K408 M413 M414 S415 | Y266-V411 HydrophobicContact CD1-CG1 4.28Å; Y266-V411 HydrophobicContact CD2-CB 4.35Å; Y266-V411 HydrophobicContact CD2-CG1 3.72Å; Y266-V411 HydrophobicContact CD2-CG2 4.24Å; Y266-V411 HydrophobicContact CE1-CG2 4.23Å; Y266-V411 HydrophobicContact CE2-CB 4.34Å; Y266-V411 HydrophobicContact CE2-CG1 4.16Å; Y266-V411 HydrophobicContact CE2-CG2 3.82Å; Y266-V411 HydrophobicContact CG-CG1 3.76Å; L407-V411 HydrophobicContact CD1-CG2 4.16Å; L407-V411 HydrophobicContact CG-CG2 4.42Å; L407-V411 VanDerWaalsContact O-CG2 3.31Å; L407-V411 WeakPolarHBondContact O-CG2 3Å; L407-V411 PolarHBondContact O-N 3.38Å; K408-V411 PolarHBondContact O-N 3.09Å; V411-M413 VanDerWaalsContact C-N 3.32Å; V411-M413 PolarHBondContact O-N 3.48Å; V411-M414 PolarHBondContact O-N 3.22Å; V411-S415 PolarHBondContact O-N 2.98Å; V411-S415 PolarHBondContact O-OG 2.94Å; V411-S415 VanDerWaalsContact O-OG 3.1Å |
| 412 | D | 73.1 | Confident | 83.4 | Confident | 44 Ų | 44 | 23.8 Ų | 23.8 | 24% | 0.235 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | -179.8 | -66.8 | -18.7 | 0 | 0 | 0 | 111.4 | K408 L410 S415 T583 | K408-D412 PolarHBondContact O-N 3.4Å; L410-D412 VanDerWaalsContact C-N 3.34Å; L410-D412 PolarHBondContact O-N 3.4Å; D412-S415 PolarHBondContact O-N 3.04Å; D412-T583 HydrophobicContact CB-CG2 4.22Å; D412-T583 WeakPolarHBondContact O-CG2 3.19Å |
| 413 | M | 76.8 | Confident | 83.5 | Confident | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.069 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.1 | -28.6 | 179.2 | -171.2 | 173.9 | 69.8 | 0 | 0 | 112.9 | L121 I125 A409 L410 V411 I416 R586 | L121-M413 HydrophobicContact CD1-CE 4.2Å; L121-M413 HydrophobicContact CD2-CG 4.46Å; I125-M413 HydrophobicContact CD1-CB 3.82Å; I125-M413 HydrophobicContact CD1-CE 3.19Å; I125-M413 HydrophobicContact CD1-CG 3.52Å; I125-M413 HydrophobicContact CD1-SD 4.06Å; I125-M413 HydrophobicContact CG1-CE 3.44Å; I125-M413 VanDerWaalsContact CG1-CE 3.44Å; A409-M413 WeakPolarHBondContact O-CB 3.46Å; A409-M413 PolarHBondContact O-N 2.9Å; L410-M413 PolarHBondContact O-N 3.38Å; L410-M413 VanDerWaalsContact O-N 3.12Å; V411-M413 VanDerWaalsContact C-N 3.32Å; V411-M413 PolarHBondContact O-N 3.48Å; M413-I416 WeakPolarHBondContact O-CG2 3.35Å; M413-R586 HydrophobicContact SD-CB 3.82Å |
| 414 | M | 82.9 | Confident | 83.6 | Confident | 10 Ų | 10 | 22.8 Ų | 22.8 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 175 | -167.7 | -178.2 | -179 | 0 | 0 | 112.2 | S122 I125 Y266 V269 L410 V411 I416 G417 T418 | S122-M414 WeakPolarHBondContact O-CE 3.07Å; S122-M414 WeakPolarHBondContact OG-CE 3.24Å; S122-M414 WeakPolarHBondContact OG-CG 3.12Å; I125-M414 HydrophobicContact CB-CB 4.26Å; I125-M414 HydrophobicContact CG2-CB 3.74Å; I125-M414 HydrophobicContact CG2-CG 4.4Å; Y266-M414 HydrophobicContact CD2-SD 3.91Å; Y266-M414 HydrophobicContact CE2-SD 3.47Å; Y266-M414 WeakPolarHBondContact CE2-SD 3.32Å; V269-M414 HydrophobicContact CB-CE 4.32Å; V269-M414 HydrophobicContact CG1-CE 3.54Å; L410-M414 PolarHBondContact O-N 2.82Å; V411-M414 PolarHBondContact O-N 3.22Å; M414-I416 PolarHBondContact O-N 3Å; M414-G417 PolarHBondContact O-N 3.41Å; M414-T418 PolarHBondContact O-N 2.84Å; M414-T418 PolarHBondContact O-OG1 2.84Å |
| 415 | S | 80.7 | Confident | 84 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | -170.5 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | V411 D412 G417 T418 L419 | V411-S415 PolarHBondContact O-N 2.98Å; V411-S415 PolarHBondContact O-OG 2.94Å; V411-S415 VanDerWaalsContact O-OG 3.1Å; D412-S415 PolarHBondContact O-N 3.04Å; S415-G417 PolarHBondContact O-N 3.06Å; S415-T418 PolarHBondContact O-N 3.15Å; S415-L419 WeakPolarHBondContact O-CB 3.25Å; S415-L419 WeakPolarHBondContact O-CD1 3.41Å; S415-L419 WeakPolarHBondContact O-CG 3.3Å; S415-L419 PolarHBondContact O-N 2.72Å |
| 416 | I | 84.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 177.8 | -175.9 | 160.3 | 0 | 0 | 0 | 112.7 | M413 M414 T418 M420 M576 L579 T583 W584 F587 | M413-I416 WeakPolarHBondContact O-CG2 3.35Å; M414-I416 PolarHBondContact O-N 3Å; I416-T418 VanDerWaalsContact C-N 3.31Å; I416-T418 PolarHBondContact O-N 3.47Å; I416-M420 WeakPolarHBondContact O-CB 3.39Å; I416-M420 PolarHBondContact O-N 3.45Å; I416-M576 HydrophobicContact CD1-CG 4.36Å; I416-M576 HydrophobicContact CG1-CG 3.99Å; I416-M576 HydrophobicContact CG1-SD 4.24Å; I416-L579 HydrophobicContact CB-CD1 3.67Å; I416-L579 HydrophobicContact CG1-CD1 4.4Å; I416-T583 HydrophobicContact CG2-CG2 4.15Å; I416-W584 HydrophobicContact CD1-CD2 3.68Å; I416-W584 HydrophobicContact CD1-CE3 3.61Å; I416-W584 HydrophobicContact CD1-CG 4.43Å; I416-W584 HydrophobicContact CD1-CH2 3.74Å; I416-W584 HydrophobicContact CD1-CZ2 3.8Å; I416-W584 HydrophobicContact CD1-CZ3 3.65Å; I416-F587 HydrophobicContact CD1-CB 4.18Å; I416-F587 HydrophobicContact CD1-CD1 3.83Å; I416-F587 HydrophobicContact CD1-CD2 4.5Å; I416-F587 HydrophobicContact CD1-CE1 4.36Å; I416-F587 HydrophobicContact CD1-CG 3.91Å; I416-F587 HydrophobicContact CG1-CD1 4.31Å; I416-F587 HydrophobicContact CG1-CD2 4.33Å; I416-F587 HydrophobicContact CG1-CE1 4.47Å; I416-F587 HydrophobicContact CG1-CG 4.23Å; I416-F587 HydrophobicContact CG2-CB 4.11Å; I416-F587 HydrophobicContact CG2-CD2 3.67Å; I416-F587 HydrophobicContact CG2-CE2 4.31Å; I416-F587 HydrophobicContact CG2-CG 3.96Å |
| 417 | G | 85.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M414 S415 A421 | M414-G417 PolarHBondContact O-N 3.41Å; S415-G417 PolarHBondContact O-N 3.06Å; G417-A421 PolarHBondContact O-N 3.25Å |
| 418 | T | 89.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.5 | -46.3 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 112 | S122 V269 M414 S415 I416 M420 A421 Y422 | S122-T418 PolarHBondContact OG-OG1 3.47Å; V269-T418 HydrophobicContact CB-CG2 4.44Å; V269-T418 HydrophobicContact CG1-CG2 3.75Å; V269-T418 HydrophobicContact CG2-CG2 3.85Å; M414-T418 PolarHBondContact O-N 2.84Å; M414-T418 PolarHBondContact O-OG1 2.84Å; S415-T418 PolarHBondContact O-N 3.15Å; I416-T418 VanDerWaalsContact C-N 3.31Å; I416-T418 PolarHBondContact O-N 3.47Å; T418-M420 VanDerWaalsContact C-N 3.25Å; T418-M420 PolarHBondContact O-N 3.44Å; T418-A421 PolarHBondContact O-N 2.94Å; T418-A421 VanDerWaalsContact O-N 3.14Å; T418-Y422 HydrophobicContact CG2-CD1 4.06Å; T418-Y422 HydrophobicContact CG2-CD2 4.35Å; T418-Y422 HydrophobicContact CG2-CE1 3.53Å; T418-Y422 HydrophobicContact CG2-CE2 3.81Å; T418-Y422 HydrophobicContact CG2-CG 4.45Å; T418-Y422 WeakPolarHBondContact O-CD1 3.39Å; T418-Y422 PolarHBondContact O-N 3.49Å |
| 419 | L | 90 | Very high | 86.7 | Confident | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 176.4 | -71.9 | 167.8 | 0 | 0 | 0 | 111.6 | F265 S415 S423 N572 L575 M576 | F265-L419 HydrophobicContact CD1-CD2 3.77Å; F265-L419 HydrophobicContact CD1-CG 4.18Å; F265-L419 HydrophobicContact CD2-CD2 4.45Å; F265-L419 HydrophobicContact CE1-CD2 3.33Å; F265-L419 HydrophobicContact CE1-CG 3.79Å; F265-L419 HydrophobicContact CE2-CD2 4.06Å; F265-L419 HydrophobicContact CG-CD2 4.3Å; F265-L419 HydrophobicContact CZ-CD2 3.48Å; F265-L419 VanDerWaalsContact CZ-CD2 3.48Å; F265-L419 HydrophobicContact CZ-CG 4.37Å; S415-L419 WeakPolarHBondContact O-CB 3.25Å; S415-L419 WeakPolarHBondContact O-CD1 3.41Å; S415-L419 WeakPolarHBondContact O-CG 3.3Å; S415-L419 PolarHBondContact O-N 2.72Å; L419-S423 WeakPolarHBondContact O-CB 3.34Å; L419-S423 PolarHBondContact O-N 3.32Å; L419-S423 PolarHBondContact O-OG 3.07Å; L419-N572 HydrophobicContact CD2-CB 4.13Å; L419-L575 HydrophobicContact CD1-CB 3.9Å; L419-L575 HydrophobicContact CD2-CB 4.21Å; L419-L575 HydrophobicContact CD2-CD1 4.2Å; L419-M576 HydrophobicContact CD1-CB 4.36Å |
| 420 | M | 91 | Very high | 87.4 | Confident | 36 Ų | 36 | 8.8 Ų | 8.8 | 18% | 0.177 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 174.1 | -177.4 | 174.6 | 166.8 | 0 | 0 | 111.9 | W111 I114 N118 I416 T418 Y422 S423 L424 F587 | W111-M420 HydrophobicContact CZ3-CE 4.32Å; I114-M420 HydrophobicContact CG2-CE 3.24Å; I114-M420 HydrophobicContact CG2-SD 4.49Å; N118-M420 PolarHBondContact ND2-SD 2.84Å; I416-M420 WeakPolarHBondContact O-CB 3.39Å; I416-M420 PolarHBondContact O-N 3.45Å; T418-M420 VanDerWaalsContact C-N 3.25Å; T418-M420 PolarHBondContact O-N 3.44Å; M420-Y422 VanDerWaalsContact C-N 3.33Å; M420-Y422 PolarHBondContact O-N 2.81Å; M420-S423 PolarHBondContact O-N 3.3Å; M420-L424 HydrophobicContact CE-CD1 4.06Å; M420-L424 HydrophobicContact CG-CD1 4.29Å; M420-L424 WeakPolarHBondContact O-CG 3.43Å; M420-L424 PolarHBondContact O-N 2.88Å; M420-F587 HydrophobicContact SD-CZ 4.08Å |
| 421 | A | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T115 L119 G417 T418 L424 V425 | T115-A421 HydrophobicContact CG2-CB 4.45Å; L119-A421 HydrophobicContact CD2-CB 4.1Å; G417-A421 PolarHBondContact O-N 3.25Å; T418-A421 PolarHBondContact O-N 2.94Å; T418-A421 VanDerWaalsContact O-N 3.14Å; A421-L424 PolarHBondContact O-N 3.47Å; A421-V425 WeakPolarHBondContact O-CG2 3.26Å; A421-V425 PolarHBondContact O-N 2.77Å |
| 422 | Y | 93.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 9.8 Ų | 9.8 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | -179.7 | -70 | 7.5 | 0 | 0 | 0 | 112 | A82 Y86 F265 F271 D272 T418 M420 L424 V425 A426 N572 | A82-Y422 HydrophobicContact CB-CD2 3.53Å; A82-Y422 HydrophobicContact CB-CE2 4.23Å; A82-Y422 HydrophobicContact CB-CG 3.93Å; Y86-Y422 AromaticContact CE2-CD1 3.4Å; Y86-Y422 HydrophobicContact CE2-CD1 3.4Å; Y86-Y422 AromaticContact CE2-CE1 3.81Å; Y86-Y422 HydrophobicContact CE2-CE1 3.81Å; Y86-Y422 HydrophobicContact CE2-CG 4.09Å; Y86-Y422 AromaticContact CZ-CD1 3.67Å; Y86-Y422 AromaticContact CZ-CE1 3.86Å; Y86-Y422 VanDerWaalsContact OH-CD1 3.25Å; Y86-Y422 WeakPolarHBondContact OH-CD1 3.35Å; F265-Y422 HydrophobicContact CE1-CD2 4.45Å; F265-Y422 HydrophobicContact CE1-CE2 4.28Å; F265-Y422 AromaticContact CZ-CD2 3.63Å; F265-Y422 HydrophobicContact CZ-CD2 3.63Å; F265-Y422 AromaticContact CZ-CE2 3.64Å; F265-Y422 HydrophobicContact CZ-CE2 3.64Å; F271-Y422 HydrophobicContact CE1-CE1 4.45Å; F271-Y422 AromaticContact CE1-CE2 3.53Å; F271-Y422 HydrophobicContact CE1-CE2 3.53Å; F271-Y422 AromaticContact CE1-CZ 3.48Å; F271-Y422 VanDerWaalsContact CE1-CZ 3.48Å; F271-Y422 WeakPolarHBondContact CE1-OH 3.47Å; F271-Y422 HydrophobicContact CZ-CD2 4.22Å; F271-Y422 AromaticContact CZ-CE1 3.95Å; F271-Y422 HydrophobicContact CZ-CE1 3.95Å; F271-Y422 AromaticContact CZ-CE2 3.55Å; F271-Y422 HydrophobicContact CZ-CE2 3.55Å; F271-Y422 AromaticContact CZ-CZ 3.38Å; F271-Y422 WeakPolarHBondContact CZ-OH 3.18Å; D272-Y422 HydrophobicContact CB-CE1 4.1Å; D272-Y422 PolarHBondContact OD1-OH 3.14Å; T418-Y422 HydrophobicContact CG2-CD1 4.06Å; T418-Y422 HydrophobicContact CG2-CD2 4.35Å; T418-Y422 HydrophobicContact CG2-CE1 3.53Å; T418-Y422 HydrophobicContact CG2-CE2 3.81Å; T418-Y422 HydrophobicContact CG2-CG 4.45Å; T418-Y422 WeakPolarHBondContact O-CD1 3.39Å; T418-Y422 PolarHBondContact O-N 3.49Å; M420-Y422 VanDerWaalsContact C-N 3.33Å; M420-Y422 PolarHBondContact O-N 2.81Å; Y422-L424 VanDerWaalsContact C-N 3.33Å; Y422-L424 PolarHBondContact O-N 2.94Å; Y422-V425 PolarHBondContact O-N 3.33Å; Y422-A426 WeakPolarHBondContact O-CB 3.43Å; Y422-A426 PolarHBondContact O-N 3.21Å; Y422-N572 WeakPolarHBondContact CB-ND2 3.05Å |
| 423 | S | 94.1 | Very high | 89 | Confident | 15 Ų | 15 | 8.2 Ų | 8.2 | 11% | 0.105 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 172.9 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | L419 M420 A426 A427 N572 | L419-S423 WeakPolarHBondContact O-CB 3.34Å; L419-S423 PolarHBondContact O-N 3.32Å; L419-S423 PolarHBondContact O-OG 3.07Å; M420-S423 PolarHBondContact O-N 3.3Å; S423-A426 PolarHBondContact O-N 2.8Å; S423-A427 WeakPolarHBondContact O-CB 3.49Å; S423-A427 PolarHBondContact O-N 3.49Å; S423-N572 PolarHBondContact N-ND2 2.97Å; S423-N572 WeakPolarHBondContact OG-CB 3.06Å |
| 424 | L | 93.4 | Very high | 89.4 | Confident | 24 Ų | 24 | 7.5 Ų | 7.5 | 13% | 0.126 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 177.4 | -74.2 | 170.9 | 0 | 0 | 0 | 111.5 | W111 T115 M420 A421 Y422 A426 A427 C428 | W111-L424 HydrophobicContact CE3-CD1 4.38Å; W111-L424 HydrophobicContact CE3-CD2 4.03Å; W111-L424 HydrophobicContact CZ3-CD2 4.32Å; T115-L424 VanDerWaalsContact OG1-CD1 3.24Å; T115-L424 WeakPolarHBondContact OG1-CD1 3.41Å; M420-L424 HydrophobicContact CE-CD1 4.06Å; M420-L424 HydrophobicContact CG-CD1 4.29Å; M420-L424 WeakPolarHBondContact O-CG 3.43Å; M420-L424 PolarHBondContact O-N 2.88Å; A421-L424 PolarHBondContact O-N 3.47Å; Y422-L424 VanDerWaalsContact C-N 3.33Å; Y422-L424 PolarHBondContact O-N 2.94Å; L424-A426 PolarHBondContact O-N 3.35Å; L424-A427 CarbonylContact O-C 3.32Å; L424-A427 WeakPolarHBondContact O-CB 3.38Å; L424-A427 PolarHBondContact O-N 3.11Å; L424-A427 VanDerWaalsContact O-N 3.17Å; L424-C428 WeakPolarHBondContact O-CB 3.24Å; L424-C428 PolarHBondContact O-N 3.12Å; L424-C428 PolarHBondContact O-SG 2.96Å |
| 425 | V | 94 | Very high | 89.3 | Confident | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | C85 Y86 A99 Y102 A421 Y422 A427 C428 V429 | C85-V425 HydrophobicContact CB-CG1 4.28Å; Y86-V425 HydrophobicContact CD2-CB 4.16Å; Y86-V425 HydrophobicContact CD2-CG1 3.76Å; Y86-V425 HydrophobicContact CD2-CG2 4.44Å; Y86-V425 HydrophobicContact CE1-CG2 4.02Å; Y86-V425 HydrophobicContact CE2-CB 3.75Å; Y86-V425 HydrophobicContact CE2-CG1 3.88Å; Y86-V425 HydrophobicContact CE2-CG2 3.77Å; Y86-V425 HydrophobicContact CG-CG1 4.1Å; A99-V425 HydrophobicContact CB-CG2 3.36Å; Y102-V425 HydrophobicContact CD2-CG1 4.2Å; Y102-V425 HydrophobicContact CD2-CG2 4.09Å; A421-V425 WeakPolarHBondContact O-CG2 3.26Å; A421-V425 PolarHBondContact O-N 2.77Å; Y422-V425 PolarHBondContact O-N 3.33Å; V425-A427 VanDerWaalsContact C-N 3.31Å; V425-A427 PolarHBondContact O-N 2.84Å; V425-C428 WeakPolarHBondContact O-CB 3.35Å; V425-C428 PolarHBondContact O-N 3.01Å; V425-C428 VanDerWaalsContact O-N 3.16Å; V425-V429 WeakPolarHBondContact O-CG2 3.16Å; V425-V429 PolarHBondContact O-N 3.35Å |
| 426 | A | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y422 S423 L424 V429 L430 P565 I569 | Y422-A426 WeakPolarHBondContact O-CB 3.43Å; Y422-A426 PolarHBondContact O-N 3.21Å; S423-A426 PolarHBondContact O-N 2.8Å; L424-A426 PolarHBondContact O-N 3.35Å; A426-V429 PolarHBondContact O-N 3.07Å; A426-L430 PolarHBondContact O-N 3.29Å; A426-L430 VanDerWaalsContact O-N 3.16Å; A426-P565 HydrophobicContact CB-CB 4.23Å; A426-I569 HydrophobicContact CB-CD1 4.3Å; A426-I569 HydrophobicContact CB-CG1 3.79Å |
| 427 | A | 93.9 | Very high | 87.6 | Confident | 15 Ų | 15 | 12.7 Ų | 12.7 | 12% | 0.124 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S423 L424 V425 L430 I431 V498 I569 | S423-A427 WeakPolarHBondContact O-CB 3.49Å; S423-A427 PolarHBondContact O-N 3.49Å; L424-A427 CarbonylContact O-C 3.32Å; L424-A427 WeakPolarHBondContact O-CB 3.38Å; L424-A427 PolarHBondContact O-N 3.11Å; L424-A427 VanDerWaalsContact O-N 3.17Å; V425-A427 VanDerWaalsContact C-N 3.31Å; V425-A427 PolarHBondContact O-N 2.84Å; A427-L430 WeakPolarHBondContact O-CB 3.38Å; A427-L430 PolarHBondContact O-N 2.97Å; A427-I431 VanDerWaalsContact O-CG1 3.3Å; A427-I431 WeakPolarHBondContact O-CG1 3.35Å; A427-I431 PolarHBondContact O-N 2.89Å; A427-V498 HydrophobicContact CB-CG1 3.63Å; A427-I569 HydrophobicContact CB-CD1 4.16Å |
| 428 | C | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | F89 T106 L424 V425 I431 L432 | F89-C428 HydrophobicContact CD2-CB 4.19Å; F89-C428 HydrophobicContact CE2-CB 3.68Å; T106-C428 HydrophobicContact CG2-CB 4.26Å; T106-C428 WeakPolarHBondContact OG1-CB 3.45Å; T106-C428 PolarHBondContact OG1-SG 3.46Å; L424-C428 WeakPolarHBondContact O-CB 3.24Å; L424-C428 PolarHBondContact O-N 3.12Å; L424-C428 PolarHBondContact O-SG 2.96Å; V425-C428 WeakPolarHBondContact O-CB 3.35Å; V425-C428 PolarHBondContact O-N 3.01Å; V425-C428 VanDerWaalsContact O-N 3.16Å; C428-I431 PolarHBondContact O-N 3.42Å; C428-L432 WeakPolarHBondContact O-CB 3.44Å; C428-L432 PolarHBondContact O-N 3.33Å |
| 429 | V | 91 | Very high | 83.2 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | C85 F89 V425 A426 L432 R433 V558 | C85-V429 HydrophobicContact CB-CG2 4.02Å; C85-V429 WeakPolarHBondContact O-CG2 3.21Å; F89-V429 HydrophobicContact CB-CG2 4.29Å; F89-V429 HydrophobicContact CD2-CG2 3.87Å; V425-V429 WeakPolarHBondContact O-CG2 3.16Å; V425-V429 PolarHBondContact O-N 3.35Å; A426-V429 PolarHBondContact O-N 3.07Å; V429-L432 PolarHBondContact O-N 3.22Å; V429-R433 WeakPolarHBondContact O-CB 3.48Å; V429-R433 VanDerWaalsContact O-CG 3.25Å; V429-R433 WeakPolarHBondContact O-CG 3.22Å; V429-R433 PolarHBondContact O-N 3.02Å; V429-R433 VanDerWaalsContact O-N 3.12Å; V429-V558 HydrophobicContact CG1-CG2 4.34Å |
| 430 | L | 90.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 174.1 | -77.1 | 171.3 | 0 | 0 | 0 | 111 | A426 A427 L432 R433 Y434 V498 L561 P562 P565 I569 | A426-L430 PolarHBondContact O-N 3.29Å; A426-L430 VanDerWaalsContact O-N 3.16Å; A427-L430 WeakPolarHBondContact O-CB 3.38Å; A427-L430 PolarHBondContact O-N 2.97Å; L430-L432 PolarHBondContact O-N 2.98Å; L430-R433 PolarHBondContact O-N 3.25Å; L430-Y434 WeakPolarHBondContact O-CD2 3.22Å; L430-V498 HydrophobicContact CB-CG2 3.93Å; L430-V498 HydrophobicContact CD1-CG2 4.16Å; L430-L561 HydrophobicContact CD2-CD2 3.88Å; L430-P562 HydrophobicContact CD2-CB 3.54Å; L430-P565 HydrophobicContact CD1-CB 3.8Å; L430-P565 HydrophobicContact CD2-CB 3.99Å; L430-P565 HydrophobicContact CD2-CG 4.08Å; L430-P565 HydrophobicContact CG-CB 3.58Å; L430-P565 HydrophobicContact CG-CG 4.11Å; L430-I569 HydrophobicContact CD1-CD1 4.16Å |
| 431 | I | 89.5 | Confident | 77.4 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | -178.9 | -68.3 | 167.3 | 0 | 0 | 0 | 111.1 | V107 A427 C428 R433 Y434 Q435 S495 V498 | V107-I431 HydrophobicContact CG2-CD1 4.32Å; A427-I431 VanDerWaalsContact O-CG1 3.3Å; A427-I431 WeakPolarHBondContact O-CG1 3.35Å; A427-I431 PolarHBondContact O-N 2.89Å; C428-I431 PolarHBondContact O-N 3.42Å; I431-R433 VanDerWaalsContact C-N 3.27Å; I431-R433 PolarHBondContact O-N 3.02Å; I431-Y434 PolarHBondContact O-N 3.16Å; I431-Q435 HydrophobicContact CG2-CG 4.38Å; I431-Q435 PolarHBondContact O-N 3.18Å; I431-S495 WeakPolarHBondContact CG2-OG 3.24Å; I431-V498 HydrophobicContact CD1-CG1 4.42Å; I431-V498 HydrophobicContact CG1-CB 4.39Å; I431-V498 HydrophobicContact CG1-CG1 4.42Å; I431-V498 HydrophobicContact CG1-CG2 4.37Å |
| 432 | L | 85.9 | Confident | 74.1 | Confident | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -30.6 | -175.7 | -170.8 | 69.8 | 0 | 0 | 0 | 112.8 | F89 R92 T106 C428 V429 L430 Y434 Q435 | F89-L432 HydrophobicContact CD2-CD2 4.25Å; F89-L432 HydrophobicContact CE1-CD2 4.46Å; F89-L432 HydrophobicContact CE2-CB 4.48Å; F89-L432 HydrophobicContact CE2-CD2 3.79Å; F89-L432 HydrophobicContact CZ-CD2 3.93Å; R92-L432 VanDerWaalsContact CD-CD2 3.43Å; T106-L432 HydrophobicContact CG2-CB 4.09Å; T106-L432 HydrophobicContact CG2-CD1 4.03Å; C428-L432 WeakPolarHBondContact O-CB 3.44Å; C428-L432 PolarHBondContact O-N 3.33Å; V429-L432 PolarHBondContact O-N 3.22Å; L430-L432 PolarHBondContact O-N 2.98Å; L432-Y434 VanDerWaalsContact C-N 3.26Å; L432-Y434 PolarHBondContact O-N 3.38Å; L432-Q435 PolarHBondContact O-N 3.17Å |
| 433 | R | 86.1 | Confident | 70.9 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.038 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -24.1 | 178.6 | -82.4 | -76.2 | -177.5 | 172.2 | 3.2 | 114.5 | E88 V429 L430 I431 N550 M557 L561 | E88-R433 IonicContact OE1-CZ 3.16Å; E88-R433 IonicContact OE1-NE 3.35Å; E88-R433 PolarHBondContact OE1-NE 3.2Å; E88-R433 IonicContact OE1-NH2 2.96Å; E88-R433 PolarHBondContact OE1-NH2 2.93Å; E88-R433 IonicContact OE2-CZ 3.56Å; E88-R433 IonicContact OE2-NE 2.87Å; E88-R433 PolarHBondContact OE2-NE 3.08Å; E88-R433 IonicContact OE2-NH2 2.76Å; E88-R433 PolarHBondContact OE2-NH2 3.29Å; V429-R433 WeakPolarHBondContact O-CB 3.48Å; V429-R433 VanDerWaalsContact O-CG 3.25Å; V429-R433 WeakPolarHBondContact O-CG 3.22Å; V429-R433 PolarHBondContact O-N 3.02Å; V429-R433 VanDerWaalsContact O-N 3.12Å; L430-R433 PolarHBondContact O-N 3.25Å; I431-R433 VanDerWaalsContact C-N 3.27Å; I431-R433 PolarHBondContact O-N 3.02Å; R433-N550 WeakPolarHBondContact O-CB 3.24Å; R433-N550 PolarHBondContact O-N 2.8Å; R433-M557 PolarHBondContact NH1-SD 3.42Å; R433-M557 PolarHBondContact NH2-SD 3.01Å; R433-L561 HydrophobicContact CG-CD1 3.92Å; R433-L561 HydrophobicContact CG-CD2 4.1Å |
| 434 | Y | 85 | Confident | 67.8 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -112.9 | 3 | -177.4 | -63.5 | -97.7 | 0 | 0 | 0 | 112.3 | L430 I431 L432 A491 V494 I544 Q547 P548 Q549 | L430-Y434 WeakPolarHBondContact O-CD2 3.22Å; I431-Y434 PolarHBondContact O-N 3.16Å; L432-Y434 VanDerWaalsContact C-N 3.26Å; L432-Y434 PolarHBondContact O-N 3.38Å; Y434-A491 WeakPolarHBondContact O-CB 3.34Å; Y434-V494 HydrophobicContact CD1-CG2 4.07Å; Y434-V494 HydrophobicContact CD2-CG1 3.97Å; Y434-V494 HydrophobicContact CD2-CG2 4.48Å; Y434-V494 HydrophobicContact CG-CB 4.44Å; Y434-V494 HydrophobicContact CG-CG1 4.11Å; Y434-V494 HydrophobicContact CG-CG2 3.89Å; Y434-I544 HydrophobicContact CE1-CG2 4.45Å; Y434-I544 WeakPolarHBondContact CE1-O 3.49Å; Y434-I544 HydrophobicContact CE2-CG2 3.83Å; Y434-I544 PolarHBondContact OH-O 3.4Å; Y434-Q547 HydrophobicContact CD1-CB 3.53Å; Y434-Q547 HydrophobicContact CE1-CB 3.6Å; Y434-Q547 VanDerWaalsContact CE1-O 3.3Å; Y434-Q547 WeakPolarHBondContact CE1-O 3.4Å; Y434-P548 WeakPolarHBondContact CD1-O 3.2Å; Y434-Q549 HydrophobicContact CD1-CG 4.24Å; Y434-Q549 HydrophobicContact CE1-CG 3.67Å; Y434-Q549 PolarHBondContact OH-NE2 3.42Å |
| 435 | Q | 80.6 | Confident | 64.9 | Low | 35 Ų | 35 | 67 Ų | 67 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -72 | 136.6 | 168.8 | -80.9 | 178.7 | -5.3 | 0 | 0 | 110.4 | I431 L432 G437 A491 N550 | I431-Q435 HydrophobicContact CG2-CG 4.38Å; I431-Q435 PolarHBondContact O-N 3.18Å; L432-Q435 PolarHBondContact O-N 3.17Å; Q435-G437 PolarHBondContact O-N 3.25Å; Q435-A491 HydrophobicContact CB-CB 4.48Å; Q435-A491 HydrophobicContact CG-CB 3.95Å; Q435-N550 PolarHBondContact O-ND2 3.49Å |
| 436 | P | 70.6 | Confident | 61.7 | Low | 52 Ų | 52 | 71.6 Ų | 71.6 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 140.6 | 169.4 | 24.6 | -32.4 | 0 | 0 | 0 | 108.6 | L438 | P436-L438 PolarHBondContact O-N 3.33Š|
| 437 | G | 59.5 | Low | 59 | Low | 37 Ų | 37 | 77.5 Ų | 77.5 | 38% | 0.381 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 135.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q435 S439 | Q435-G437 PolarHBondContact O-N 3.25Å; G437-S439 PolarHBondContact O-N 3.33Å |
| 438 | L | 50.2 | Low | 56.2 | Low | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 116.6 | 164.9 | -78.3 | 148.2 | 0 | 0 | 0 | 106.3 | P436 Y440 | P436-L438 PolarHBondContact O-N 3.33Å; L438-Y440 VanDerWaalsContact C-N 3.34Å; L438-Y440 HydrophobicContact CB-CE2 4.38Å; L438-Y440 VanDerWaalsContact O-CD2 3.29Å; L438-Y440 WeakPolarHBondContact O-CD2 3.23Å; L438-Y440 PolarHBondContact O-N 3.22Å |
| 439 | S | 30.6 | Very low | 53.3 | Low | 123 Ų | 123 | 94.5 Ų | 94.5 | 86% | 0.86 | 49% | 0.491 | S | S | * | . | trans | -57.1 | 102.1 | 171.8 | -66.2 | 0 | 0 | 0 | 0 | 107.6 | G437 E441 | G437-S439 PolarHBondContact O-N 3.33Å; S439-E441 PolarHBondContact O-N 3.19Å | ||
| 440 | Y | 35.8 | Very low | 50.5 | Low | 117 Ų | 117 | 103 Ų | 103 | 46% | 0.459 | 54% | 0.537 | S | S | . | . | trans | -76.4 | 102.8 | 162.9 | -77.3 | -93.4 | 0 | 0 | 0 | 105.7 | L22 L438 Q442 | L22-Y440 HydrophobicContact CB-CE1 4.12Å; L22-Y440 HydrophobicContact CD1-CE1 4.27Å; L22-Y440 HydrophobicContact CD2-CE1 4.5Å; L438-Y440 VanDerWaalsContact C-N 3.34Å; L438-Y440 HydrophobicContact CB-CE2 4.38Å; L438-Y440 VanDerWaalsContact O-CD2 3.29Å; L438-Y440 WeakPolarHBondContact O-CD2 3.23Å; L438-Y440 PolarHBondContact O-N 3.22Å; Y440-Q442 PolarHBondContact O-N 2.94Å | ||
| 441 | E | 24 | Very low | 47.8 | Very low | 187 Ų | 187 | 106.2 Ų | 106.2 | 87% | 0.874 | 57% | 0.57 | S | S | * | * | trans | -65.1 | 111.8 | 154.9 | -75.3 | -147.4 | 147.4 | 0 | 0 | 106.7 | S439 | S439-E441 PolarHBondContact O-N 3.19Š| ||
| 442 | Q | 23.1 | Very low | 45.1 | Very low | 174 Ų | 174 | 113.7 Ų | 113.7 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | trans | -62.3 | 129.5 | 162.1 | -84.7 | -178 | -39.1 | 0 | 0 | 107.6 | Y440 K444 | Y440-Q442 PolarHBondContact O-N 2.94Å; Q442-K444 PolarHBondContact O-N 3.43Å; Q442-K444 VanDerWaalsContact O-N 3.17Å | ||
| 443 | P | 26.5 | Very low | 42.5 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | trans | -61.5 | 123.4 | 168.2 | 23.6 | -29.1 | 0 | 0 | 0 | 108.2 | F445 | P443-F445 PolarHBondContact O-N 3.26Š| ||
| 444 | K | 29.1 | Very low | 39.6 | Very low | 208 Ų | 208 | 127.1 Ų | 127.1 | 90% | 0.904 | 69% | 0.686 | S | S | * | * | trans | -65.6 | 81.9 | 169 | -73.8 | 177.3 | 177.9 | 172 | 0 | 109 | Q442 | Q442-K444 PolarHBondContact O-N 3.43Å; Q442-K444 VanDerWaalsContact O-N 3.17Å | ||
| 445 | F | 32.3 | Very low | 36.9 | Very low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -145.5 | 91.4 | 164.8 | -108.8 | -81.8 | 0 | 0 | 0 | 110.9 | P443 | P443-F445 PolarHBondContact O-N 3.26Š| ||
| 446 | S | 26.1 | Very low | 34.5 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -156.7 | 109.1 | 148.4 | 173 | 0 | 0 | 0 | 0 | 106.8 | E448 | S446-E448 PolarHBondContact O-N 3.4Å; S446-E448 VanDerWaalsContact O-N 3.11Å | ||
| 447 | P | 37.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -85.5 | 62.8 | 175.4 | 35.8 | -31.3 | 0 | 0 | 0 | 108.6 | ||||
| 448 | E | 34.7 | Very low | 30.9 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -162.5 | 62.7 | 174.5 | -122.7 | 173.4 | -167.6 | 0 | 0 | 112.3 | S446 | S446-E448 PolarHBondContact O-N 3.4Å; S446-E448 VanDerWaalsContact O-N 3.11Å | ||
| 449 | K | 31.6 | Very low | 29.8 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -161.2 | 44.1 | 156 | -117.7 | 174.8 | -174.8 | -177.9 | 0 | 113.2 | G451 | K449-G451 PolarHBondContact O-N 3.1Š| ||
| 450 | D | 32.3 | Very low | 29.6 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 96% | 0.957 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 107.9 | 160.3 | -81.8 | -31.8 | 0 | 0 | 0 | 108.5 | ||
| 451 | G | 33.2 | Very low | 29.2 | Very low | 68 Ų | 68 | 153 Ų | 153 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.9 | 8.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | K449 | K449-G451 PolarHBondContact O-N 3.1Š|
| 452 | L | 32.5 | Very low | 29.4 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -157.2 | 39.4 | 171.4 | -140 | 77.9 | 0 | 0 | 0 | 115.7 | ||
| 453 | E | 30.6 | Very low | 29.8 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 54.1 | 170.8 | -69.7 | -166 | 173.2 | 0 | 0 | 112.2 | ||||
| 454 | S | 26.6 | Very low | 29.8 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -94.3 | 5.2 | 167.6 | -178 | 0 | 0 | 0 | 0 | 113.3 | ||
| 455 | S | 28.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -119.8 | 14.8 | -173.7 | -162.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 456 | A | 28.7 | Very low | 30.2 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 60% | 0.603 | 77% | 0.774 | S | S | * | * | trans | -120.2 | 27.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V458 | A456-V458 PolarHBondContact O-N 3.27Š| ||
| 457 | R | 26.8 | Very low | 30.4 | Very low | 248 Ų | 248 | 138.2 Ų | 138.2 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | trans | -80.7 | 57.8 | 166 | -76.7 | -172 | -173.7 | 174.3 | 3.2 | 111.5 | ||||
| 458 | V | 29.7 | Very low | 30 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -146.1 | 58.9 | 164.1 | -166.8 | 0 | 0 | 0 | 0 | 110.3 | A456 | A456-V458 PolarHBondContact O-N 3.27Š| ||
| 459 | T | 27 | Very low | 30.1 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -155.7 | 33.7 | 163.7 | -1.8 | 0 | 0 | 0 | 0 | 114.3 | K461 | T459-K461 PolarHBondContact O-N 3.44Å; T459-K461 VanDerWaalsContact O-N 3.13Å | ||
| 460 | S | 26.4 | Very low | 30.4 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 35.5 | 171.6 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 461 | K | 25.8 | Very low | 30.4 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 14.3 | -176.8 | -121.8 | -176.7 | -174.9 | -179 | 0 | 114.9 | T459 | T459-K461 PolarHBondContact O-N 3.44Å; T459-K461 VanDerWaalsContact O-N 3.13Å |
| 462 | S | 28.5 | Very low | 30.7 | Very low | 78 Ų | 78 | 141 Ų | 141 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -98.7 | -17.4 | -173.5 | -161.2 | 0 | 0 | 0 | 0 | 115.5 | V466 | S462-V466 VanDerWaalsContact O-CG2 3.31Å; S462-V466 WeakPolarHBondContact O-CG2 3.31Å |
| 463 | E | 32 | Very low | 31.1 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -84.9 | -28.2 | -175.4 | -73.6 | -177 | 158.1 | 0 | 0 | 113.9 | T467 | E463-T467 PolarHBondContact O-OG1 2.76Å; E463-T467 VanDerWaalsContact O-OG1 3.09Å |
| 464 | S | 25.9 | Very low | 31.6 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -80.7 | -17.7 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 465 | Q | 31.5 | Very low | 32.6 | Very low | 138 Ų | 138 | 132 Ų | 132 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -85 | -25.1 | 174.2 | -74 | -170.9 | -27.9 | 0 | 0 | 113.1 | L469 | Q465-L469 PolarHBondContact O-N 3.02Å |
| 466 | V | 38.4 | Very low | 33.8 | Very low | 94 Ų | 94 | 131 Ų | 131 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74 | -38 | 179.9 | 176 | 0 | 0 | 0 | 0 | 111.1 | S462 | S462-V466 VanDerWaalsContact O-CG2 3.31Å; S462-V466 WeakPolarHBondContact O-CG2 3.31Å |
| 467 | T | 31 | Very low | 34.9 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 63% | 0.632 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -75.4 | -24.9 | 177 | 21.7 | 0 | 0 | 0 | 0 | 113.6 | E463 | E463-T467 PolarHBondContact O-OG1 2.76Å; E463-T467 VanDerWaalsContact O-OG1 3.09Å |
| 468 | M | 29 | Very low | 36.4 | Very low | 168 Ų | 168 | 129 Ų | 129 | 83% | 0.828 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.5 | -25.7 | 177.3 | -102.8 | -156.2 | 175.4 | 0 | 0 | 114.4 | ||
| 469 | L | 36.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85.8 | -8.2 | 178.4 | -84 | 163.9 | 0 | 0 | 0 | 114 | Q465 R471 | Q465-L469 PolarHBondContact O-N 3.02Å; L469-R471 PolarHBondContact O-N 3.31Å; L469-R471 VanDerWaalsContact O-N 3.08Å |
| 470 | Q | 37.1 | Very low | 39.3 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 67% | 0.673 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -0.5 | -178.5 | -160.4 | 155.2 | -22.6 | 0 | 0 | 113.9 | ||
| 471 | R | 33.9 | Very low | 40.5 | Very low | 238 Ų | 238 | 123 Ų | 123 | 90% | 0.898 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 32.4 | -175 | -142.4 | -177.8 | -162.2 | -175.2 | 5.4 | 114.4 | L469 | L469-R471 PolarHBondContact O-N 3.31Å; L469-R471 VanDerWaalsContact O-N 3.08Å |
| 472 | Q | 38.7 | Very low | 42.3 | Very low | 138 Ų | 138 | 117 Ų | 117 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | trans | -109.9 | 117.4 | 168.4 | -69 | -171.1 | -4.2 | 0 | 0 | 110 | ||||
| 473 | G | 41.2 | Very low | 43.8 | Very low | 65 Ų | 65 | 116.1 Ų | 116.1 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | trans | -61.9 | 162.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S475 | G473-S475 PolarHBondContact O-N 2.92Š| ||
| 474 | F | 42.2 | Very low | 45 | Very low | 168 Ų | 168 | 116.2 Ų | 116.2 | 74% | 0.737 | 61% | 0.61 | S | S | * | * | trans | -48.8 | 104.1 | 178.5 | -162 | -92.7 | 0 | 0 | 0 | 110.9 | L493 | F474-L493 HydrophobicContact CE2-CD1 3.71Å; F474-L493 HydrophobicContact CZ-CD1 3.65Å | ||
| 475 | S | 45.9 | Very low | 46.6 | Very low | 58 Ų | 58 | 118 Ų | 118 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | trans | -108 | 137.6 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 110 | G473 R477 T478 | G473-S475 PolarHBondContact O-N 2.92Å; S475-R477 PolarHBondContact O-N 3.22Å; S475-R477 VanDerWaalsContact O-N 3.11Å; S475-T478 PolarHBondContact N-OG1 3.5Å; S475-T478 PolarHBondContact O-N 3.3Å; S475-T478 PolarHBondContact O-OG1 3.18Å | ||
| 476 | V | 55 | Low | 48.3 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 62% | 0.618 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.4 | -26 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | T478 L479 F480 | V476-T478 PolarHBondContact O-N 3.02Å; V476-L479 VanDerWaalsContact O-CB 3.27Å; V476-L479 WeakPolarHBondContact O-CB 3.45Å; V476-L479 PolarHBondContact O-N 2.99Å; V476-F480 HydrophobicContact CG1-CD2 4.24Å; V476-F480 HydrophobicContact CG1-CE2 3.89Å; V476-F480 WeakPolarHBondContact O-CD2 3.46Å |
| 477 | R | 51.9 | Low | 50.1 | Low | 210 Ų | 210 | 110.9 Ų | 110.9 | 79% | 0.792 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -36.6 | 174.3 | -81.7 | -174.1 | 173.2 | -175.2 | -1.4 | 113.7 | S475 L479 F480 C481 | S475-R477 PolarHBondContact O-N 3.22Å; S475-R477 VanDerWaalsContact O-N 3.11Å; R477-L479 PolarHBondContact O-N 3.12Å; R477-F480 PolarHBondContact O-N 3.47Å; R477-C481 PolarHBondContact O-N 2.92Å |
| 478 | T | 57 | Low | 52.2 | Low | 71 Ų | 71 | 113.6 Ų | 113.6 | 44% | 0.436 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.5 | -16.3 | 176.5 | 12.4 | 0 | 0 | 0 | 0 | 113.3 | S475 V476 | S475-T478 PolarHBondContact N-OG1 3.5Å; S475-T478 PolarHBondContact O-N 3.3Å; S475-T478 PolarHBondContact O-OG1 3.18Å; V476-T478 PolarHBondContact O-N 3.02Å |
| 479 | L | 59.5 | Low | 54.3 | Low | 36 Ų | 36 | 111 Ų | 111 | 19% | 0.188 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -80.5 | -29.8 | 176.3 | -131.4 | 146 | 0 | 0 | 0 | 112.1 | V476 R477 L493 T543 | V476-L479 VanDerWaalsContact O-CB 3.27Å; V476-L479 WeakPolarHBondContact O-CB 3.45Å; V476-L479 PolarHBondContact O-N 2.99Å; R477-L479 PolarHBondContact O-N 3.12Å; L479-L493 HydrophobicContact CG-CD2 4.43Å; L479-T543 HydrophobicContact CD2-CG2 3.56Å |
| 480 | F | 58.4 | Low | 56.2 | Low | 123 Ų | 123 | 105.9 Ų | 105.9 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -100.6 | -25.1 | -176.9 | -69.3 | -76.4 | 0 | 0 | 0 | 114.3 | V476 R477 | V476-F480 HydrophobicContact CG1-CD2 4.24Å; V476-F480 HydrophobicContact CG1-CE2 3.89Å; V476-F480 WeakPolarHBondContact O-CD2 3.46Å; R477-F480 PolarHBondContact O-N 3.47Å |
| 481 | C | 52.3 | Low | 58.3 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 69% | 0.689 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -128.1 | 89.8 | 176.6 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | R477 | R477-C481 PolarHBondContact O-N 2.92Š|
| 482 | P | 62.5 | Low | 60.6 | Low | 50 Ų | 50 | 91.9 Ų | 91.9 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | trans | -74.6 | 158.7 | 179.2 | 12.8 | -7.2 | 0 | 0 | 0 | 113.3 | R546 | P482-R546 WeakPolarHBondContact CG-O 3.27Š| ||
| 483 | S | 59.5 | Low | 62.9 | Low | 60 Ų | 60 | 86.2 Ų | 86.2 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | trans | -67.2 | 155.8 | 167.2 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | L485 P548 | S483-L485 PolarHBondContact O-N 3.2Å; S483-L485 PolarHBondContact OG-O 3.43Å; S483-P548 WeakPolarHBondContact O-CB 3.38Å; S483-P548 WeakPolarHBondContact O-CG 3.41Å | ||
| 484 | L | 58.2 | Low | 65.2 | Low | 175 Ų | 175 | 83.1 Ų | 83.1 | 92% | 0.916 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -67.8 | -18.3 | -178.2 | -142.9 | 95.5 | 0 | 0 | 0 | 114 | ||
| 485 | L | 60 | Low | 67.4 | Low | 122 Ų | 122 | 76.5 Ų | 76.5 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -124.4 | 147.4 | -176.2 | -76.4 | 163.1 | 0 | 0 | 0 | 110.7 | S483 T487 | S483-L485 PolarHBondContact O-N 3.2Å; S483-L485 PolarHBondContact OG-O 3.43Å; L485-T487 PolarHBondContact O-N 3.46Å |
| 486 | P | 67.4 | Low | 69.5 | Low | 27 Ų | 27 | 80.3 Ų | 80.3 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | trans | -64.4 | 126.3 | 177.5 | 27.2 | -33.7 | 0 | 0 | 0 | 110.4 | ||||
| 487 | T | 75.1 | Confident | 71.3 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | trans | -113.5 | 159 | 177 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | L485 Q489 S490 A491 | L485-T487 PolarHBondContact O-N 3.46Å; T487-Q489 PolarHBondContact O-N 3.5Å; T487-S490 PolarHBondContact O-N 3.43Å; T487-S490 VanDerWaalsContact O-N 3.09Å; T487-S490 PolarHBondContact OG1-N 2.91Å; T487-A491 PolarHBondContact O-N 3.29Å | ||
| 488 | Q | 74.6 | Confident | 73.2 | Confident | 161 Ų | 161 | 66.5 Ų | 66.5 | 75% | 0.752 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.1 | -29.8 | 176.7 | -163.9 | 177.7 | 11 | 0 | 0 | 112.5 | S492 | Q488-S492 WeakPolarHBondContact O-CB 3.48Å; Q488-S492 PolarHBondContact O-N 3.24Å; Q488-S492 VanDerWaalsContact O-N 3.08Å |
| 489 | Q | 73.8 | Confident | 74.9 | Confident | 113 Ų | 113 | 65.3 Ų | 65.3 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.9 | -43.3 | 174.1 | -68 | -176.2 | -12.8 | 0 | 0 | 112.4 | T487 A491 S492 L493 | T487-Q489 PolarHBondContact O-N 3.5Å; Q489-A491 VanDerWaalsContact C-N 3.34Å; Q489-A491 PolarHBondContact O-N 3.45Å; Q489-S492 PolarHBondContact O-N 3.05Å; Q489-L493 WeakPolarHBondContact O-CB 3.45Å; Q489-L493 PolarHBondContact O-N 3.48Å |
| 490 | S | 76.6 | Confident | 76.6 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | T487 S492 L493 V494 Q547 | T487-S490 PolarHBondContact O-N 3.43Å; T487-S490 VanDerWaalsContact O-N 3.09Å; T487-S490 PolarHBondContact OG1-N 2.91Å; S490-S492 PolarHBondContact O-N 3.24Å; S490-L493 WeakPolarHBondContact O-CB 3.41Å; S490-L493 PolarHBondContact O-N 3.27Å; S490-V494 WeakPolarHBondContact O-CG2 3.47Å; S490-V494 PolarHBondContact O-N 3.45Å; S490-Q547 PolarHBondContact OG-OE1 2.93Å |
| 491 | A | 80.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y434 Q435 T487 Q489 S495 | Y434-A491 WeakPolarHBondContact O-CB 3.34Å; Q435-A491 HydrophobicContact CB-CB 4.48Å; Q435-A491 HydrophobicContact CG-CB 3.95Å; T487-A491 PolarHBondContact O-N 3.29Å; Q489-A491 VanDerWaalsContact C-N 3.34Å; Q489-A491 PolarHBondContact O-N 3.45Å; A491-S495 WeakPolarHBondContact O-CB 3.48Å; A491-S495 PolarHBondContact O-N 3.47Å; A491-S495 PolarHBondContact O-OG 3.47Å |
| 492 | S | 83.5 | Confident | 80.2 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | Q488 Q489 S490 S495 F496 | Q488-S492 WeakPolarHBondContact O-CB 3.48Å; Q488-S492 PolarHBondContact O-N 3.24Å; Q488-S492 VanDerWaalsContact O-N 3.08Å; Q489-S492 PolarHBondContact O-N 3.05Å; S490-S492 PolarHBondContact O-N 3.24Å; S492-S495 WeakPolarHBondContact O-CB 3.47Å; S492-S495 PolarHBondContact O-N 3.38Å; S492-F496 PolarHBondContact O-N 3.29Å |
| 493 | L | 86.9 | Confident | 81.8 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 174.8 | 178.9 | 72.3 | 0 | 0 | 0 | 111.3 | F474 L479 Q489 S490 S495 F496 L497 | F474-L493 HydrophobicContact CE2-CD1 3.71Å; F474-L493 HydrophobicContact CZ-CD1 3.65Å; L479-L493 HydrophobicContact CG-CD2 4.43Å; Q489-L493 WeakPolarHBondContact O-CB 3.45Å; Q489-L493 PolarHBondContact O-N 3.48Å; S490-L493 WeakPolarHBondContact O-CB 3.41Å; S490-L493 PolarHBondContact O-N 3.27Å; L493-S495 VanDerWaalsContact C-N 3.31Å; L493-S495 PolarHBondContact O-N 3.16Å; L493-F496 PolarHBondContact O-N 2.98Å; L493-L497 HydrophobicContact CD1-CD1 4.45Å; L493-L497 HydrophobicContact CD1-CG 4.49Å; L493-L497 HydrophobicContact CG-CD1 4.02Å; L493-L497 HydrophobicContact CG-CG 4.42Å; L493-L497 WeakPolarHBondContact O-CB 3.25Å; L493-L497 WeakPolarHBondContact O-CG 3.42Å; L493-L497 PolarHBondContact O-N 2.97Å |
| 494 | V | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.9 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | Y434 S490 F496 L497 V498 I544 Q547 | Y434-V494 HydrophobicContact CD1-CG2 4.07Å; Y434-V494 HydrophobicContact CD2-CG1 3.97Å; Y434-V494 HydrophobicContact CD2-CG2 4.48Å; Y434-V494 HydrophobicContact CG-CB 4.44Å; Y434-V494 HydrophobicContact CG-CG1 4.11Å; Y434-V494 HydrophobicContact CG-CG2 3.89Å; S490-V494 WeakPolarHBondContact O-CG2 3.47Å; S490-V494 PolarHBondContact O-N 3.45Å; V494-F496 VanDerWaalsContact C-N 3.33Å; V494-F496 PolarHBondContact O-N 2.9Å; V494-L497 PolarHBondContact O-N 3.28Å; V494-V498 HydrophobicContact CG1-CG2 4.15Å; V494-V498 WeakPolarHBondContact O-CB 3.44Å; V494-V498 VanDerWaalsContact O-CG2 3.25Å; V494-V498 WeakPolarHBondContact O-CG2 3.47Å; V494-V498 PolarHBondContact O-N 3.09Å; V494-I544 HydrophobicContact CG1-CG2 4.4Å; V494-Q547 HydrophobicContact CG2-CB 4.04Å; V494-Q547 HydrophobicContact CG2-CG 3.83Å |
| 495 | S | 88.2 | Confident | 85.2 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 112 | I431 A491 S492 L493 G499 | I431-S495 WeakPolarHBondContact CG2-OG 3.24Å; A491-S495 WeakPolarHBondContact O-CB 3.48Å; A491-S495 PolarHBondContact O-N 3.47Å; A491-S495 PolarHBondContact O-OG 3.47Å; S492-S495 WeakPolarHBondContact O-CB 3.47Å; S492-S495 PolarHBondContact O-N 3.38Å; L493-S495 VanDerWaalsContact C-N 3.31Å; L493-S495 PolarHBondContact O-N 3.16Å; S495-G499 PolarHBondContact O-N 2.88Å; S495-G499 VanDerWaalsContact O-N 3.1Å |
| 496 | F | 90.9 | Very high | 86.9 | Confident | 139 Ų | 139 | 49.9 Ų | 49.9 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.6 | -45.6 | 174.8 | 178 | -96.6 | 0 | 0 | 0 | 112.1 | S492 L493 V494 V498 G499 F500 | S492-F496 PolarHBondContact O-N 3.29Å; L493-F496 PolarHBondContact O-N 2.98Å; V494-F496 VanDerWaalsContact C-N 3.33Å; V494-F496 PolarHBondContact O-N 2.9Å; F496-V498 VanDerWaalsContact C-N 3.34Å; F496-V498 PolarHBondContact O-N 2.81Å; F496-G499 PolarHBondContact O-N 3.25Å; F496-F500 WeakPolarHBondContact O-CB 3.44Å; F496-F500 PolarHBondContact O-N 2.92Å |
| 497 | L | 92.8 | Very high | 88.1 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 178.4 | -72.4 | 174.3 | 0 | 0 | 0 | 112.3 | L493 V494 F500 L501 I540 I544 | L493-L497 HydrophobicContact CD1-CD1 4.45Å; L493-L497 HydrophobicContact CD1-CG 4.49Å; L493-L497 HydrophobicContact CG-CD1 4.02Å; L493-L497 HydrophobicContact CG-CG 4.42Å; L493-L497 WeakPolarHBondContact O-CB 3.25Å; L493-L497 WeakPolarHBondContact O-CG 3.42Å; L493-L497 PolarHBondContact O-N 2.97Å; V494-L497 PolarHBondContact O-N 3.28Å; L497-F500 PolarHBondContact O-N 3.1Å; L497-L501 VanDerWaalsContact O-CB 3.27Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 PolarHBondContact O-N 3.21Å; L497-I540 HydrophobicContact CB-CG2 4.22Å; L497-I540 HydrophobicContact CD2-CG2 4.45Å; L497-I544 HydrophobicContact CB-CD1 4.1Å; L497-I544 HydrophobicContact CB-CG1 4Å; L497-I544 HydrophobicContact CD1-CG1 3.96Å |
| 498 | V | 92.8 | Very high | 89 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | A427 L430 I431 V494 F496 L501 A502 I544 | A427-V498 HydrophobicContact CB-CG1 3.63Å; L430-V498 HydrophobicContact CB-CG2 3.93Å; L430-V498 HydrophobicContact CD1-CG2 4.16Å; I431-V498 HydrophobicContact CD1-CG1 4.42Å; I431-V498 HydrophobicContact CG1-CB 4.39Å; I431-V498 HydrophobicContact CG1-CG1 4.42Å; I431-V498 HydrophobicContact CG1-CG2 4.37Å; V494-V498 HydrophobicContact CG1-CG2 4.15Å; V494-V498 WeakPolarHBondContact O-CB 3.44Å; V494-V498 VanDerWaalsContact O-CG2 3.25Å; V494-V498 WeakPolarHBondContact O-CG2 3.47Å; V494-V498 PolarHBondContact O-N 3.09Å; F496-V498 VanDerWaalsContact C-N 3.34Å; F496-V498 PolarHBondContact O-N 2.81Å; V498-L501 WeakPolarHBondContact O-CB 3.4Å; V498-L501 PolarHBondContact O-N 3.36Å; V498-A502 PolarHBondContact O-N 3.19Å; V498-I544 HydrophobicContact CG2-CD1 4.12Å |
| 499 | G | 92 | Very high | 89.8 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 46% | 0.464 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S495 F496 A502 F503 | S495-G499 PolarHBondContact O-N 2.88Å; S495-G499 VanDerWaalsContact O-N 3.1Å; F496-G499 PolarHBondContact O-N 3.25Å; G499-A502 PolarHBondContact O-N 2.98Å; G499-F503 PolarHBondContact O-N 3.02Å |
| 500 | F | 94 | Very high | 90.7 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -38.1 | 176 | -172.7 | -113.6 | 0 | 0 | 0 | 112.3 | F496 L497 A502 F503 L504 I540 | F496-F500 WeakPolarHBondContact O-CB 3.44Å; F496-F500 PolarHBondContact O-N 2.92Å; L497-F500 PolarHBondContact O-N 3.1Å; F500-A502 VanDerWaalsContact C-N 3.35Å; F500-A502 PolarHBondContact O-N 2.87Å; F500-F503 PolarHBondContact O-N 2.84Å; F500-L504 WeakPolarHBondContact O-CB 3.44Å; F500-L504 PolarHBondContact O-N 3.36Å; F500-I540 HydrophobicContact CD1-CD1 3.4Å; F500-I540 VanDerWaalsContact CD1-CD1 3.4Å; F500-I540 HydrophobicContact CD1-CG1 4.08Å; F500-I540 HydrophobicContact CE1-CD1 3.69Å; F500-I540 HydrophobicContact CE1-CG1 4.39Å |
| 501 | L | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 173.2 | -176.1 | 70.7 | 0 | 0 | 0 | 111.2 | L497 V498 F503 L504 V505 Y537 I540 I541 A566 | L497-L501 VanDerWaalsContact O-CB 3.27Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 PolarHBondContact O-N 3.21Å; V498-L501 WeakPolarHBondContact O-CB 3.4Å; V498-L501 PolarHBondContact O-N 3.36Å; L501-F503 PolarHBondContact O-N 3.12Å; L501-L504 PolarHBondContact O-N 3.4Å; L501-V505 HydrophobicContact CG-CG2 4.46Å; L501-V505 WeakPolarHBondContact O-CB 3.5Å; L501-V505 VanDerWaalsContact O-CG2 3.24Å; L501-V505 WeakPolarHBondContact O-CG2 3.36Å; L501-V505 PolarHBondContact O-N 3.3Å; L501-Y537 HydrophobicContact CD1-CD2 3.49Å; L501-Y537 VanDerWaalsContact CD1-CD2 3.49Å; L501-Y537 HydrophobicContact CD1-CE2 3.66Å; L501-Y537 HydrophobicContact CD1-CG 4.43Å; L501-Y537 HydrophobicContact CG-CE2 4.45Å; L501-I540 HydrophobicContact CB-CG2 4.08Å; L501-I540 HydrophobicContact CD1-CB 4.23Å; L501-I540 HydrophobicContact CD1-CD1 4.34Å; L501-I540 HydrophobicContact CD1-CG2 4.01Å; L501-I541 HydrophobicContact CD1-CG1 4.47Å; L501-A566 HydrophobicContact CD2-CB 3.9Å |
| 502 | A | 93.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V498 G499 F500 V505 L506 I573 | V498-A502 PolarHBondContact O-N 3.19Å; G499-A502 PolarHBondContact O-N 2.98Å; F500-A502 VanDerWaalsContact C-N 3.35Å; F500-A502 PolarHBondContact O-N 2.87Å; A502-V505 PolarHBondContact O-N 3.32Å; A502-L506 WeakPolarHBondContact O-CB 3.34Å; A502-L506 PolarHBondContact O-N 3.34Å; A502-I573 HydrophobicContact CB-CD1 4.39Å |
| 503 | F | 94.3 | Very high | 91.8 | Very high | 149 Ų | 149 | 37.6 Ų | 37.6 | 65% | 0.654 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.9 | -42.3 | 175.6 | -175.9 | -96.7 | 0 | 0 | 0 | 112.1 | G499 F500 L501 L506 G507 | G499-F503 PolarHBondContact O-N 3.02Å; F500-F503 PolarHBondContact O-N 2.84Å; L501-F503 PolarHBondContact O-N 3.12Å; F503-L506 WeakPolarHBondContact O-CB 3.29Å; F503-L506 PolarHBondContact O-N 3.35Å; F503-G507 PolarHBondContact O-N 3.37Å |
| 504 | L | 95.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.8 | -176.4 | 147.2 | 0 | 0 | 0 | 111.7 | F500 L501 L506 G507 L508 F533 L536 Y537 I540 | F500-L504 WeakPolarHBondContact O-CB 3.44Å; F500-L504 PolarHBondContact O-N 3.36Å; L501-L504 PolarHBondContact O-N 3.4Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 2.98Å; L504-G507 PolarHBondContact O-N 3.47Å; L504-L508 WeakPolarHBondContact O-CB 3.32Å; L504-L508 PolarHBondContact O-N 3.27Å; L504-F533 HydrophobicContact CD1-CD1 4.33Å; L504-F533 HydrophobicContact CG-CD1 3.94Å; L504-L536 HydrophobicContact CD1-CB 3.31Å; L504-L536 HydrophobicContact CD1-CD1 4.11Å; L504-L536 HydrophobicContact CD1-CG 4.36Å; L504-Y537 HydrophobicContact CD2-CD2 4.12Å; L504-Y537 HydrophobicContact CD2-CG 4.4Å; L504-I540 HydrophobicContact CD1-CD1 3.94Å |
| 505 | V | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 176.5 | 164.6 | 0 | 0 | 0 | 0 | 110.9 | L501 A502 L508 S509 Y537 L570 I573 | L501-V505 HydrophobicContact CG-CG2 4.46Å; L501-V505 WeakPolarHBondContact O-CB 3.5Å; L501-V505 VanDerWaalsContact O-CG2 3.24Å; L501-V505 WeakPolarHBondContact O-CG2 3.36Å; L501-V505 PolarHBondContact O-N 3.3Å; A502-V505 PolarHBondContact O-N 3.32Å; V505-L508 PolarHBondContact O-N 3.49Å; V505-S509 VanDerWaalsContact O-CB 3.28Å; V505-S509 WeakPolarHBondContact O-CB 3.3Å; V505-S509 PolarHBondContact O-N 2.89Å; V505-S509 PolarHBondContact O-OG 3.46Å; V505-Y537 HydrophobicContact CG2-CD2 3.83Å; V505-Y537 HydrophobicContact CG2-CE2 3.62Å; V505-L570 HydrophobicContact CG1-CB 4.28Å; V505-L570 HydrophobicContact CG1-CG 4.47Å; V505-L570 HydrophobicContact CG2-CB 4.38Å; V505-I573 HydrophobicContact CB-CD1 4.24Å; V505-I573 HydrophobicContact CG1-CB 3.69Å; V505-I573 HydrophobicContact CG1-CD1 3.75Å; V505-I573 HydrophobicContact CG1-CG1 4.22Å; V505-I573 HydrophobicContact CG1-CG2 3.88Å |
| 506 | L | 94.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.3 | -178.8 | 65 | 0 | 0 | 0 | 111 | A502 F503 L504 L508 S509 V510 I573 V577 | A502-L506 WeakPolarHBondContact O-CB 3.34Å; A502-L506 PolarHBondContact O-N 3.34Å; F503-L506 WeakPolarHBondContact O-CB 3.29Å; F503-L506 PolarHBondContact O-N 3.35Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 2.98Å; L506-L508 PolarHBondContact O-N 3.12Å; L506-S509 PolarHBondContact O-N 3.23Å; L506-V510 HydrophobicContact CD1-CG2 4.37Å; L506-V510 WeakPolarHBondContact O-CB 3.27Å; L506-V510 VanDerWaalsContact O-CG2 3.29Å; L506-V510 WeakPolarHBondContact O-CG2 3.37Å; L506-V510 PolarHBondContact O-N 2.95Å; L506-I573 HydrophobicContact CB-CG2 4.2Å; L506-I573 HydrophobicContact CD1-CG2 3.95Å; L506-V577 HydrophobicContact CD1-CG2 3.98Å |
| 507 | G | 93.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | F503 L504 V510 L511 | F503-G507 PolarHBondContact O-N 3.37Å; L504-G507 PolarHBondContact O-N 3.47Å; G507-V510 PolarHBondContact O-N 3.49Å; G507-L511 WeakPolarHBondContact O-CB 3.44Å; G507-L511 PolarHBondContact O-N 2.91Å |
| 508 | L | 93.9 | Very high | 91.1 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 174 | 178.6 | 65.1 | 0 | 0 | 0 | 111 | L504 V505 L506 L511 T512 L530 F533 L534 L570 | L504-L508 WeakPolarHBondContact O-CB 3.32Å; L504-L508 PolarHBondContact O-N 3.27Å; V505-L508 PolarHBondContact O-N 3.49Å; L506-L508 PolarHBondContact O-N 3.12Å; L508-L511 PolarHBondContact O-N 2.97Å; L508-T512 HydrophobicContact CD1-CG2 4.24Å; L508-T512 WeakPolarHBondContact O-CG2 3.37Å; L508-T512 PolarHBondContact O-N 3.08Å; L508-T512 PolarHBondContact O-OG1 3.12Å; L508-T512 VanDerWaalsContact O-OG1 3.08Å; L508-L530 HydrophobicContact CD1-CD1 3.67Å; L508-F533 HydrophobicContact CB-CB 4.24Å; L508-F533 HydrophobicContact CB-CG 4.45Å; L508-F533 HydrophobicContact CD1-CB 3.85Å; L508-L534 HydrophobicContact CD1-CD2 4.42Å; L508-L534 HydrophobicContact CD2-CD2 4.17Å; L508-L570 HydrophobicContact CD2-CD1 4.27Å |
| 509 | S | 92.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | -178.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | V505 L506 T512 T513 | V505-S509 VanDerWaalsContact O-CB 3.28Å; V505-S509 WeakPolarHBondContact O-CB 3.3Å; V505-S509 PolarHBondContact O-N 2.89Å; V505-S509 PolarHBondContact O-OG 3.46Å; L506-S509 PolarHBondContact O-N 3.23Å; S509-T512 WeakPolarHBondContact CA-OG1 3.46Å; S509-T512 PolarHBondContact O-N 3.05Å; S509-T512 PolarHBondContact O-OG1 3.19Å; S509-T513 WeakPolarHBondContact O-CB 3.34Å; S509-T513 PolarHBondContact O-N 2.93Å; S509-T513 PolarHBondContact O-OG1 3.37Å |
| 510 | V | 91.8 | Very high | 90.7 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 111 | L506 G507 T512 T513 Y514 V577 | L506-V510 HydrophobicContact CD1-CG2 4.37Å; L506-V510 WeakPolarHBondContact O-CB 3.27Å; L506-V510 VanDerWaalsContact O-CG2 3.29Å; L506-V510 WeakPolarHBondContact O-CG2 3.37Å; L506-V510 PolarHBondContact O-N 2.95Å; G507-V510 PolarHBondContact O-N 3.49Å; V510-T512 PolarHBondContact O-N 3.15Å; V510-T513 PolarHBondContact O-N 3.18Å; V510-Y514 HydrophobicContact CG1-CD2 3.96Å; V510-Y514 PolarHBondContact O-N 2.99Å; V510-V577 HydrophobicContact CG2-CG1 4.3Å; V510-V577 HydrophobicContact CG2-CG2 4.33Å |
| 511 | L | 91.2 | Very high | 90.4 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.8 | 178.3 | 68 | 0 | 0 | 0 | 111.3 | G507 L508 T513 G515 L529 L530 F533 | G507-L511 WeakPolarHBondContact O-CB 3.44Å; G507-L511 PolarHBondContact O-N 2.91Å; L508-L511 PolarHBondContact O-N 2.97Å; L511-T513 PolarHBondContact O-N 2.74Å; L511-G515 WeakPolarHBondContact O-CA 3.5Å; L511-G515 PolarHBondContact O-N 2.83Å; L511-L529 HydrophobicContact CD1-CD2 3.69Å; L511-L529 HydrophobicContact CD2-CB 4.1Å; L511-L529 HydrophobicContact CD2-CD2 3.79Å; L511-L529 HydrophobicContact CD2-CG 4.25Å; L511-L529 HydrophobicContact CG-CD2 4.2Å; L511-L530 HydrophobicContact CD2-CB 3.97Å; L511-L530 HydrophobicContact CD2-CD1 4.27Å; L511-F533 HydrophobicContact CD2-CD2 4.02Å; L511-F533 HydrophobicContact CD2-CE2 4.31Å |
| 512 | T | 88 | Confident | 90.1 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.4 | -20.9 | -178.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | L508 S509 V510 V516 L530 Y574 | L508-T512 HydrophobicContact CD1-CG2 4.24Å; L508-T512 WeakPolarHBondContact O-CG2 3.37Å; L508-T512 PolarHBondContact O-N 3.08Å; L508-T512 PolarHBondContact O-OG1 3.12Å; L508-T512 VanDerWaalsContact O-OG1 3.08Å; S509-T512 WeakPolarHBondContact CA-OG1 3.46Å; S509-T512 PolarHBondContact O-N 3.05Å; S509-T512 PolarHBondContact O-OG1 3.19Å; V510-T512 PolarHBondContact O-N 3.15Å; T512-V516 WeakPolarHBondContact O-CG2 3.43Å; T512-L530 HydrophobicContact CG2-CD1 3.96Å; T512-Y574 WeakPolarHBondContact OG1-CE2 3.15Å |
| 513 | T | 85.7 | Confident | 90.1 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -94 | -50.2 | -178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | S509 V510 L511 V516 V577 | S509-T513 WeakPolarHBondContact O-CB 3.34Å; S509-T513 PolarHBondContact O-N 2.93Å; S509-T513 PolarHBondContact O-OG1 3.37Å; V510-T513 PolarHBondContact O-N 3.18Å; L511-T513 PolarHBondContact O-N 2.74Å; T513-V516 WeakPolarHBondContact O-CG2 3.31Å; T513-V577 HydrophobicContact CG2-CG1 4.12Å |
| 514 | Y | 87.3 | Confident | 90 | Very high | 170 Ų | 170 | 59.9 Ų | 59.9 | 67% | 0.667 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -90.7 | -23.3 | -178.4 | -64.2 | -74.2 | 0 | 0 | 0 | 113 | V510 V577 | V510-Y514 HydrophobicContact CG1-CD2 3.96Å; V510-Y514 PolarHBondContact O-N 2.99Å; Y514-V577 HydrophobicContact CE2-CG1 4.22Å |
| 515 | G | 84.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -87.8 | 6.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L511 H517 A518 I519 | L511-G515 WeakPolarHBondContact O-CA 3.5Å; L511-G515 PolarHBondContact O-N 2.83Å; G515-H517 PolarHBondContact O-N 3.44Å; G515-A518 PolarHBondContact O-N 3Å; G515-I519 WeakPolarHBondContact O-CG1 3.47Å; G515-I519 PolarHBondContact O-N 3.08Å |
| 516 | V | 84.1 | Confident | 89.7 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 39% | 0.394 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -52.9 | -40.8 | -176.9 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | T512 T513 A518 I519 T520 | T512-V516 WeakPolarHBondContact O-CG2 3.43Å; T513-V516 WeakPolarHBondContact O-CG2 3.31Å; V516-A518 VanDerWaalsContact C-N 3.34Å; V516-A518 PolarHBondContact O-N 2.79Å; V516-I519 PolarHBondContact O-N 2.92Å; V516-T520 HydrophobicContact CG1-CG2 4.13Å; V516-T520 WeakPolarHBondContact O-CB 3.33Å; V516-T520 WeakPolarHBondContact O-CG2 3.42Å; V516-T520 PolarHBondContact O-N 3.32Å; V516-T520 PolarHBondContact O-OG1 3.29Å |
| 517 | H | 86.8 | Confident | 89.6 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 63% | 0.634 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.3 | -36.5 | 179 | -66.7 | -57.7 | 0 | 0 | 0 | 112.8 | G515 T520 R521 | G515-H517 PolarHBondContact O-N 3.44Å; H517-T520 WeakPolarHBondContact CA-OG1 3.44Å; H517-T520 PolarHBondContact O-OG1 3.48Å; H517-T520 VanDerWaalsContact O-OG1 3.09Å; H517-R521 WeakPolarHBondContact O-CB 3.29Å; H517-R521 WeakPolarHBondContact O-CD 3.33Å; H517-R521 WeakPolarHBondContact O-CG 3.5Å; H517-R521 PolarHBondContact O-N 2.96Å |
| 518 | A | 87.3 | Confident | 89.6 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G515 V516 R521 L522 E523 W525 | G515-A518 PolarHBondContact O-N 3Å; V516-A518 VanDerWaalsContact C-N 3.34Å; V516-A518 PolarHBondContact O-N 2.79Å; A518-R521 PolarHBondContact O-N 2.89Å; A518-L522 PolarHBondContact O-N 3.49Å; A518-E523 PolarHBondContact O-N 3.43Å; A518-E523 VanDerWaalsContact O-N 3.09Å; A518-W525 HydrophobicContact CB-CH2 3.99Å; A518-W525 HydrophobicContact CB-CZ2 3.54Å |
| 519 | I | 88.7 | Confident | 89.5 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 21% | 0.205 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 176 | -63.6 | 169 | 0 | 0 | 0 | 110.7 | G515 V516 R521 L522 S526 | G515-I519 WeakPolarHBondContact O-CG1 3.47Å; G515-I519 PolarHBondContact O-N 3.08Å; V516-I519 PolarHBondContact O-N 2.92Å; I519-R521 VanDerWaalsContact C-N 3.28Å; I519-R521 PolarHBondContact O-N 3.24Å; I519-L522 PolarHBondContact O-N 2.89Å; I519-S526 VanDerWaalsContact CG1-OG 3.27Å; I519-S526 WeakPolarHBondContact CG1-OG 3.42Å |
| 520 | T | 87.8 | Confident | 89.6 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.7 | -28.3 | 179.5 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | V516 H517 L522 | V516-T520 HydrophobicContact CG1-CG2 4.13Å; V516-T520 WeakPolarHBondContact O-CB 3.33Å; V516-T520 WeakPolarHBondContact O-CG2 3.42Å; V516-T520 PolarHBondContact O-N 3.32Å; V516-T520 PolarHBondContact O-OG1 3.29Å; H517-T520 WeakPolarHBondContact CA-OG1 3.44Å; H517-T520 PolarHBondContact O-OG1 3.48Å; H517-T520 VanDerWaalsContact O-OG1 3.09Å; T520-L522 VanDerWaalsContact C-N 3.27Å |
| 521 | R | 89.5 | Confident | 89.7 | Confident | 184 Ų | 184 | 72 Ų | 72 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 0.9 | 171.8 | -70 | 175.2 | -176 | -171.8 | 1.3 | 114.2 | H517 A518 I519 E523 | H517-R521 WeakPolarHBondContact O-CB 3.29Å; H517-R521 WeakPolarHBondContact O-CD 3.33Å; H517-R521 WeakPolarHBondContact O-CG 3.5Å; H517-R521 PolarHBondContact O-N 2.96Å; A518-R521 PolarHBondContact O-N 2.89Å; I519-R521 VanDerWaalsContact C-N 3.28Å; I519-R521 PolarHBondContact O-N 3.24Å; R521-E523 VanDerWaalsContact C-N 3.25Å; R521-E523 HydrophobicContact CB-CG 4.12Å; R521-E523 PolarHBondContact O-N 3.09Å |
| 522 | L | 88.3 | Confident | 89.9 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 67% | 0.67 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.3 | -179.6 | -63 | 166.9 | 0 | 0 | 0 | 113.4 | A518 I519 T520 A524 L527 | A518-L522 PolarHBondContact O-N 3.49Å; I519-L522 PolarHBondContact O-N 2.89Å; T520-L522 VanDerWaalsContact C-N 3.27Å; L522-A524 PolarHBondContact O-N 2.8Å; L522-L527 HydrophobicContact CB-CD1 4.18Å; L522-L527 HydrophobicContact CD2-CD1 4Å; L522-L527 HydrophobicContact CD2-CD2 4.46Å |
| 523 | E | 92.2 | Very high | 90.2 | Very high | 68 Ų | 68 | 75.9 Ų | 75.9 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | trans | -67.1 | 129.1 | 178.6 | -66.2 | -177.8 | -172.7 | 0 | 0 | 111 | A518 R521 W525 S526 L527 | A518-E523 PolarHBondContact O-N 3.43Å; A518-E523 VanDerWaalsContact O-N 3.09Å; R521-E523 VanDerWaalsContact C-N 3.25Å; R521-E523 HydrophobicContact CB-CG 4.12Å; R521-E523 PolarHBondContact O-N 3.09Å; E523-W525 VanDerWaalsContact C-N 3.32Å; E523-W525 PolarHBondContact O-N 3.37Å; E523-W525 PolarHBondContact OE2-NE1 2.84Å; E523-S526 PolarHBondContact O-N 3.2Å; E523-S526 VanDerWaalsContact O-N 3.09Å; E523-L527 PolarHBondContact O-N 3.43Å; E523-L527 VanDerWaalsContact O-N 3.09Å | ||
| 524 | A | 92.7 | Very high | 90.6 | Very high | 79 Ų | 79 | 77.8 Ų | 77.8 | 65% | 0.653 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.6 | -37.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L522 A528 | L522-A524 PolarHBondContact O-N 2.8Å; A524-A528 WeakPolarHBondContact O-CB 3.29Å; A524-A528 PolarHBondContact O-N 2.88Å |
| 525 | W | 91.9 | Very high | 91 | Very high | 146 Ų | 146 | 74.4 Ų | 74.4 | 55% | 0.553 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 178.5 | 68.5 | -91.7 | 0 | 0 | 0 | 111.9 | A518 E523 L529 | A518-W525 HydrophobicContact CB-CH2 3.99Å; A518-W525 HydrophobicContact CB-CZ2 3.54Å; E523-W525 VanDerWaalsContact C-N 3.32Å; E523-W525 PolarHBondContact O-N 3.37Å; E523-W525 PolarHBondContact OE2-NE1 2.84Å; W525-L529 WeakPolarHBondContact O-CB 3.48Å; W525-L529 PolarHBondContact O-N 3.32Å |
| 526 | S | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.1 | -43.7 | -179 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | I519 E523 L529 L530 | I519-S526 VanDerWaalsContact CG1-OG 3.27Å; I519-S526 WeakPolarHBondContact CG1-OG 3.42Å; E523-S526 PolarHBondContact O-N 3.2Å; E523-S526 VanDerWaalsContact O-N 3.09Å; S526-L529 PolarHBondContact O-N 3.13Å; S526-L530 WeakPolarHBondContact O-CB 3.36Å; S526-L530 PolarHBondContact O-N 2.98Å |
| 527 | L | 92.1 | Very high | 92 | Very high | 65 Ų | 65 | 74.8 Ų | 74.8 | 34% | 0.34 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 174.9 | -67.5 | 175.3 | 0 | 0 | 0 | 112.3 | L522 E523 L530 A531 | L522-L527 HydrophobicContact CB-CD1 4.18Å; L522-L527 HydrophobicContact CD2-CD1 4Å; L522-L527 HydrophobicContact CD2-CD2 4.46Å; E523-L527 PolarHBondContact O-N 3.43Å; E523-L527 VanDerWaalsContact O-N 3.09Å; L527-L530 PolarHBondContact O-N 2.7Å; L527-A531 WeakPolarHBondContact O-CB 3.49Å; L527-A531 PolarHBondContact O-N 3.38Å |
| 528 | A | 93.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 72 Ų | 72 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A524 A531 L532 | A524-A528 WeakPolarHBondContact O-CB 3.29Å; A524-A528 PolarHBondContact O-N 2.88Å; A528-A531 PolarHBondContact O-N 3.19Å; A528-L532 VanDerWaalsContact O-CB 3.29Å; A528-L532 WeakPolarHBondContact O-CB 3.49Å; A528-L532 PolarHBondContact O-N 3.37Å |
| 529 | L | 93.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.8 | -156.1 | 89.3 | 0 | 0 | 0 | 111.6 | L511 W525 S526 L532 F533 | L511-L529 HydrophobicContact CD1-CD2 3.69Å; L511-L529 HydrophobicContact CD2-CB 4.1Å; L511-L529 HydrophobicContact CD2-CD2 3.79Å; L511-L529 HydrophobicContact CD2-CG 4.25Å; L511-L529 HydrophobicContact CG-CD2 4.2Å; W525-L529 WeakPolarHBondContact O-CB 3.48Å; W525-L529 PolarHBondContact O-N 3.32Å; S526-L529 PolarHBondContact O-N 3.13Å; L529-L532 PolarHBondContact O-N 3.23Å; L529-F533 HydrophobicContact CD2-CD2 4.29Å; L529-F533 HydrophobicContact CD2-CE2 3.6Å; L529-F533 HydrophobicContact CD2-CZ 4.4Å; L529-F533 HydrophobicContact CG-CD2 4.15Å; L529-F533 HydrophobicContact CG-CE2 3.77Å; L529-F533 HydrophobicContact CG-CZ 4.49Å; L529-F533 WeakPolarHBondContact O-CD2 3.32Å; L529-F533 PolarHBondContact O-N 2.78Å |
| 530 | L | 93.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 72 Ų | 72 | 18% | 0.183 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 176.3 | -178.4 | 67.1 | 0 | 0 | 0 | 111 | L508 L511 T512 S526 L527 L532 F533 L534 | L508-L530 HydrophobicContact CD1-CD1 3.67Å; L511-L530 HydrophobicContact CD2-CB 3.97Å; L511-L530 HydrophobicContact CD2-CD1 4.27Å; T512-L530 HydrophobicContact CG2-CD1 3.96Å; S526-L530 WeakPolarHBondContact O-CB 3.36Å; S526-L530 PolarHBondContact O-N 2.98Å; L527-L530 PolarHBondContact O-N 2.7Å; L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L532 PolarHBondContact O-N 3.39Å; L530-F533 PolarHBondContact O-N 3.25Å; L530-L534 HydrophobicContact CD1-CD1 4.42Å; L530-L534 HydrophobicContact CG-CD1 4.17Å; L530-L534 VanDerWaalsContact O-CG 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.49Å; L530-L534 PolarHBondContact O-N 3.07Å |
| 531 | A | 93.9 | Very high | 93.2 | Very high | 51 Ų | 51 | 67.8 Ų | 67.8 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L527 A528 L534 V535 | L527-A531 WeakPolarHBondContact O-CB 3.49Å; L527-A531 PolarHBondContact O-N 3.38Å; A528-A531 PolarHBondContact O-N 3.19Å; A531-L534 PolarHBondContact O-N 2.92Å; A531-V535 WeakPolarHBondContact O-CB 3.4Å; A531-V535 VanDerWaalsContact O-CG2 3.25Å; A531-V535 WeakPolarHBondContact O-CG2 3.33Å; A531-V535 PolarHBondContact O-N 3.43Å |
| 532 | L | 95.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 176.9 | 178 | 65.4 | 0 | 0 | 0 | 111.7 | A528 L529 L530 L534 V535 L536 | A528-L532 VanDerWaalsContact O-CB 3.29Å; A528-L532 WeakPolarHBondContact O-CB 3.49Å; A528-L532 PolarHBondContact O-N 3.37Å; L529-L532 PolarHBondContact O-N 3.23Å; L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L532 PolarHBondContact O-N 3.39Å; L532-L534 PolarHBondContact O-N 2.9Å; L532-V535 PolarHBondContact O-N 3.35Å; L532-L536 HydrophobicContact CD1-CD1 3.99Å; L532-L536 HydrophobicContact CD1-CG 4.2Å; L532-L536 HydrophobicContact CG-CD1 3.97Å; L532-L536 WeakPolarHBondContact O-CB 3.47Å; L532-L536 VanDerWaalsContact O-CG 3.3Å; L532-L536 WeakPolarHBondContact O-CG 3.13Å; L532-L536 PolarHBondContact O-N 3.48Å |
| 533 | F | 95 | Very high | 93.4 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.2 | -76.9 | -47.7 | 0 | 0 | 0 | 112.1 | L504 L508 L511 L529 L530 L536 Y537 | L504-F533 HydrophobicContact CD1-CD1 4.33Å; L504-F533 HydrophobicContact CG-CD1 3.94Å; L508-F533 HydrophobicContact CB-CB 4.24Å; L508-F533 HydrophobicContact CB-CG 4.45Å; L508-F533 HydrophobicContact CD1-CB 3.85Å; L511-F533 HydrophobicContact CD2-CD2 4.02Å; L511-F533 HydrophobicContact CD2-CE2 4.31Å; L529-F533 HydrophobicContact CD2-CD2 4.29Å; L529-F533 HydrophobicContact CD2-CE2 3.6Å; L529-F533 HydrophobicContact CD2-CZ 4.4Å; L529-F533 HydrophobicContact CG-CD2 4.15Å; L529-F533 HydrophobicContact CG-CE2 3.77Å; L529-F533 HydrophobicContact CG-CZ 4.49Å; L529-F533 WeakPolarHBondContact O-CD2 3.32Å; L529-F533 PolarHBondContact O-N 2.78Å; L530-F533 PolarHBondContact O-N 3.25Å; F533-L536 PolarHBondContact O-N 3.38Å; F533-Y537 VanDerWaalsContact O-CB 3.29Å; F533-Y537 WeakPolarHBondContact O-CB 3.43Å; F533-Y537 PolarHBondContact O-N 3.27Å |
| 534 | L | 93.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 177.7 | -71.1 | 173.2 | 0 | 0 | 0 | 112.2 | L508 L530 A531 L532 Y537 V538 | L508-L534 HydrophobicContact CD1-CD2 4.42Å; L508-L534 HydrophobicContact CD2-CD2 4.17Å; L530-L534 HydrophobicContact CD1-CD1 4.42Å; L530-L534 HydrophobicContact CG-CD1 4.17Å; L530-L534 VanDerWaalsContact O-CG 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.49Å; L530-L534 PolarHBondContact O-N 3.07Å; A531-L534 PolarHBondContact O-N 2.92Å; L532-L534 PolarHBondContact O-N 2.9Å; L534-Y537 WeakPolarHBondContact O-CB 3.35Å; L534-Y537 PolarHBondContact O-N 3.1Å; L534-V538 WeakPolarHBondContact O-CG2 3.33Å; L534-V538 PolarHBondContact O-N 2.87Å |
| 535 | V | 95.4 | Very high | 93.1 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | A531 L532 V538 A539 | A531-V535 WeakPolarHBondContact O-CB 3.4Å; A531-V535 VanDerWaalsContact O-CG2 3.25Å; A531-V535 WeakPolarHBondContact O-CG2 3.33Å; A531-V535 PolarHBondContact O-N 3.43Å; L532-V535 PolarHBondContact O-N 3.35Å; V535-V538 PolarHBondContact O-N 3.22Å; V535-A539 VanDerWaalsContact O-CB 3.3Å; V535-A539 WeakPolarHBondContact O-CB 3.32Å; V535-A539 PolarHBondContact O-N 3.42Å |
| 536 | L | 95.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.5 | -74.4 | 174.4 | 0 | 0 | 0 | 112 | L504 L532 F533 A539 I540 | L504-L536 HydrophobicContact CD1-CB 3.31Å; L504-L536 HydrophobicContact CD1-CD1 4.11Å; L504-L536 HydrophobicContact CD1-CG 4.36Å; L532-L536 HydrophobicContact CD1-CD1 3.99Å; L532-L536 HydrophobicContact CD1-CG 4.2Å; L532-L536 HydrophobicContact CG-CD1 3.97Å; L532-L536 WeakPolarHBondContact O-CB 3.47Å; L532-L536 VanDerWaalsContact O-CG 3.3Å; L532-L536 WeakPolarHBondContact O-CG 3.13Å; L532-L536 PolarHBondContact O-N 3.48Å; F533-L536 PolarHBondContact O-N 3.38Å; L536-A539 PolarHBondContact O-N 3.25Å; L536-I540 WeakPolarHBondContact O-CD1 3.49Å; L536-I540 VanDerWaalsContact O-CG1 3.22Å; L536-I540 WeakPolarHBondContact O-CG1 3.29Å; L536-I540 PolarHBondContact O-N 3.43Å |
| 537 | Y | 94.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.7 | -51.5 | 173.9 | 179.5 | -101.1 | 0 | 0 | 0 | 111.2 | L501 L504 V505 F533 L534 A539 I540 I541 A566 F567 L570 | L501-Y537 HydrophobicContact CD1-CD2 3.49Å; L501-Y537 VanDerWaalsContact CD1-CD2 3.49Å; L501-Y537 HydrophobicContact CD1-CE2 3.66Å; L501-Y537 HydrophobicContact CD1-CG 4.43Å; L501-Y537 HydrophobicContact CG-CE2 4.45Å; L504-Y537 HydrophobicContact CD2-CD2 4.12Å; L504-Y537 HydrophobicContact CD2-CG 4.4Å; V505-Y537 HydrophobicContact CG2-CD2 3.83Å; V505-Y537 HydrophobicContact CG2-CE2 3.62Å; F533-Y537 VanDerWaalsContact O-CB 3.29Å; F533-Y537 WeakPolarHBondContact O-CB 3.43Å; F533-Y537 PolarHBondContact O-N 3.27Å; L534-Y537 WeakPolarHBondContact O-CB 3.35Å; L534-Y537 PolarHBondContact O-N 3.1Å; Y537-A539 PolarHBondContact O-N 3.45Å; Y537-I540 PolarHBondContact O-N 2.73Å; Y537-I541 HydrophobicContact CD1-CD1 3.8Å; Y537-I541 HydrophobicContact CE1-CD1 3.29Å; Y537-I541 HydrophobicContact CE2-CD1 4.08Å; Y537-I541 HydrophobicContact CG-CD1 4.39Å; Y537-I541 VanDerWaalsContact CZ-CD1 3.44Å; Y537-I541 WeakPolarHBondContact O-CG1 3.49Å; Y537-I541 PolarHBondContact O-N 3.46Å; Y537-I541 VanDerWaalsContact O-N 3.09Å; Y537-A566 PolarHBondContact OH-O 3.1Å; Y537-F567 PolarHBondContact OH-N 3.5Å; Y537-L570 HydrophobicContact CE1-CD1 4.17Å; Y537-L570 HydrophobicContact CE2-CB 4.45Å; Y537-L570 HydrophobicContact CE2-CD1 3.95Å |
| 538 | V | 94.4 | Very high | 92 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 47% | 0.473 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | L534 V535 I540 I541 L542 | L534-V538 WeakPolarHBondContact O-CG2 3.33Å; L534-V538 PolarHBondContact O-N 2.87Å; V535-V538 PolarHBondContact O-N 3.22Å; V538-I540 PolarHBondContact O-N 2.94Å; V538-I541 PolarHBondContact O-N 3.42Å; V538-L542 HydrophobicContact CG1-CD1 3.86Å; V538-L542 HydrophobicContact CG1-CG 4.21Å; V538-L542 WeakPolarHBondContact O-CB 3.08Å; V538-L542 VanDerWaalsContact O-CG 3.3Å; V538-L542 WeakPolarHBondContact O-CG 2.71Å; V538-L542 PolarHBondContact O-N 2.99Å |
| 539 | A | 93.7 | Very high | 91.5 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V535 L536 Y537 L542 T543 | V535-A539 VanDerWaalsContact O-CB 3.3Å; V535-A539 WeakPolarHBondContact O-CB 3.32Å; V535-A539 PolarHBondContact O-N 3.42Å; L536-A539 PolarHBondContact O-N 3.25Å; Y537-A539 PolarHBondContact O-N 3.45Å; A539-L542 PolarHBondContact O-N 3.34Å; A539-T543 VanDerWaalsContact O-CG2 3.27Å; A539-T543 WeakPolarHBondContact O-CG2 3.49Å; A539-T543 PolarHBondContact O-N 2.98Å; A539-T543 PolarHBondContact O-OG1 2.91Å |
| 540 | I | 93.4 | Very high | 90.8 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.3 | -64.9 | 159.7 | 0 | 0 | 0 | 110.4 | L497 F500 L501 L504 L536 Y537 V538 L542 T543 I544 | L497-I540 HydrophobicContact CB-CG2 4.22Å; L497-I540 HydrophobicContact CD2-CG2 4.45Å; F500-I540 HydrophobicContact CD1-CD1 3.4Å; F500-I540 VanDerWaalsContact CD1-CD1 3.4Å; F500-I540 HydrophobicContact CD1-CG1 4.08Å; F500-I540 HydrophobicContact CE1-CD1 3.69Å; F500-I540 HydrophobicContact CE1-CG1 4.39Å; L501-I540 HydrophobicContact CB-CG2 4.08Å; L501-I540 HydrophobicContact CD1-CB 4.23Å; L501-I540 HydrophobicContact CD1-CD1 4.34Å; L501-I540 HydrophobicContact CD1-CG2 4.01Å; L504-I540 HydrophobicContact CD1-CD1 3.94Å; L536-I540 WeakPolarHBondContact O-CD1 3.49Å; L536-I540 VanDerWaalsContact O-CG1 3.22Å; L536-I540 WeakPolarHBondContact O-CG1 3.29Å; L536-I540 PolarHBondContact O-N 3.43Å; Y537-I540 PolarHBondContact O-N 2.73Å; V538-I540 PolarHBondContact O-N 2.94Å; I540-L542 PolarHBondContact O-N 3.3Å; I540-T543 WeakPolarHBondContact CA-OG1 3.41Å; I540-T543 PolarHBondContact O-N 3.46Å; I540-T543 PolarHBondContact O-OG1 2.8Å; I540-I544 HydrophobicContact CG2-CD1 3.86Å; I540-I544 HydrophobicContact CG2-CG1 4.42Å; I540-I544 WeakPolarHBondContact O-CG1 3.15Å; I540-I544 PolarHBondContact O-N 2.7Å |
| 541 | I | 93.3 | Very high | 89.5 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 178.2 | -70.3 | 176.3 | 0 | 0 | 0 | 111.2 | L501 Y537 V538 T543 I544 W545 P562 F563 A566 | L501-I541 HydrophobicContact CD1-CG1 4.47Å; Y537-I541 HydrophobicContact CD1-CD1 3.8Å; Y537-I541 HydrophobicContact CE1-CD1 3.29Å; Y537-I541 HydrophobicContact CE2-CD1 4.08Å; Y537-I541 HydrophobicContact CG-CD1 4.39Å; Y537-I541 VanDerWaalsContact CZ-CD1 3.44Å; Y537-I541 WeakPolarHBondContact O-CG1 3.49Å; Y537-I541 PolarHBondContact O-N 3.46Å; Y537-I541 VanDerWaalsContact O-N 3.09Å; V538-I541 PolarHBondContact O-N 3.42Å; I541-T543 VanDerWaalsContact C-N 3.33Å; I541-T543 PolarHBondContact O-N 2.89Å; I541-I544 PolarHBondContact O-N 2.78Å; I541-W545 WeakPolarHBondContact O-CB 3.32Å; I541-W545 PolarHBondContact O-N 3.15Å; I541-P562 HydrophobicContact CG2-CG 4.07Å; I541-F563 HydrophobicContact CG2-CD1 3.46Å; I541-F563 VanDerWaalsContact CG2-CD1 3.46Å; I541-F563 HydrophobicContact CG2-CE1 3.38Å; I541-F563 HydrophobicContact CG2-CG 4.23Å; I541-F563 HydrophobicContact CG2-CZ 4.1Å; I541-A566 HydrophobicContact CD1-CB 3.73Å; I541-A566 HydrophobicContact CG1-CB 3.94Å |
| 542 | L | 91.9 | Very high | 88.3 | Confident | 72 Ų | 72 | 61 Ų | 61 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.1 | -69.8 | 175.6 | 0 | 0 | 0 | 112.1 | V538 A539 I540 W545 R546 | V538-L542 HydrophobicContact CG1-CD1 3.86Å; V538-L542 HydrophobicContact CG1-CG 4.21Å; V538-L542 WeakPolarHBondContact O-CB 3.08Å; V538-L542 VanDerWaalsContact O-CG 3.3Å; V538-L542 WeakPolarHBondContact O-CG 2.71Å; V538-L542 PolarHBondContact O-N 2.99Å; A539-L542 PolarHBondContact O-N 3.34Å; I540-L542 PolarHBondContact O-N 3.3Å; L542-W545 HydrophobicContact CD2-CE3 4.14Å; L542-W545 PolarHBondContact O-N 3.17Å; L542-R546 WeakPolarHBondContact O-CG 3.41Å; L542-R546 PolarHBondContact O-N 3.39Å |
| 543 | T | 90.1 | Very high | 87.1 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 112 | L479 A539 I540 I541 W545 R546 | L479-T543 HydrophobicContact CD2-CG2 3.56Å; A539-T543 VanDerWaalsContact O-CG2 3.27Å; A539-T543 WeakPolarHBondContact O-CG2 3.49Å; A539-T543 PolarHBondContact O-N 2.98Å; A539-T543 PolarHBondContact O-OG1 2.91Å; I540-T543 WeakPolarHBondContact CA-OG1 3.41Å; I540-T543 PolarHBondContact O-N 3.46Å; I540-T543 PolarHBondContact O-OG1 2.8Å; I541-T543 VanDerWaalsContact C-N 3.33Å; I541-T543 PolarHBondContact O-N 2.89Å; T543-W545 VanDerWaalsContact C-N 3.35Å; T543-R546 PolarHBondContact O-N 3.38Å |
| 544 | I | 89.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 172.5 | -65.6 | 169.6 | 0 | 0 | 0 | 110.4 | Y434 V494 L497 V498 I540 I541 R546 Q547 P562 | Y434-I544 HydrophobicContact CE1-CG2 4.45Å; Y434-I544 WeakPolarHBondContact CE1-O 3.49Å; Y434-I544 HydrophobicContact CE2-CG2 3.83Å; Y434-I544 PolarHBondContact OH-O 3.4Å; V494-I544 HydrophobicContact CG1-CG2 4.4Å; L497-I544 HydrophobicContact CB-CD1 4.1Å; L497-I544 HydrophobicContact CB-CG1 4Å; L497-I544 HydrophobicContact CD1-CG1 3.96Å; V498-I544 HydrophobicContact CG2-CD1 4.12Å; I540-I544 HydrophobicContact CG2-CD1 3.86Å; I540-I544 HydrophobicContact CG2-CG1 4.42Å; I540-I544 WeakPolarHBondContact O-CG1 3.15Å; I540-I544 PolarHBondContact O-N 2.7Å; I541-I544 PolarHBondContact O-N 2.78Å; I544-R546 PolarHBondContact O-N 2.72Å; I544-Q547 WeakPolarHBondContact O-CB 3.29Å; I544-Q547 PolarHBondContact O-N 3.06Å; I544-Q547 VanDerWaalsContact O-N 3.07Å; I544-P562 HydrophobicContact CB-CB 4.37Å; I544-P562 HydrophobicContact CB-CG 4.22Å; I544-P562 HydrophobicContact CG2-CB 3.67Å; I544-P562 HydrophobicContact CG2-CG 3.94Å |
| 545 | W | 89.6 | Confident | 85.5 | Confident | 137 Ų | 137 | 64.5 Ų | 64.5 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -33.3 | -179.3 | -177.9 | 49.6 | 0 | 0 | 0 | 112.8 | I541 L542 T543 Q547 P562 F563 | I541-W545 WeakPolarHBondContact O-CB 3.32Å; I541-W545 PolarHBondContact O-N 3.15Å; L542-W545 HydrophobicContact CD2-CE3 4.14Å; L542-W545 PolarHBondContact O-N 3.17Å; T543-W545 VanDerWaalsContact C-N 3.35Å; W545-Q547 VanDerWaalsContact C-N 3.33Å; W545-Q547 PolarHBondContact O-N 3.48Å; W545-P562 HydrophobicContact CB-CG 3.84Å; W545-F563 HydrophobicContact CG-CE2 4.42Å |
| 546 | R | 87 | Confident | 85.1 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.5 | -20 | 177 | -73.4 | 179.9 | 179.9 | -162.4 | 1.9 | 114.3 | P482 L542 T543 I544 | P482-R546 WeakPolarHBondContact CG-O 3.27Å; L542-R546 WeakPolarHBondContact O-CG 3.41Å; L542-R546 PolarHBondContact O-N 3.39Å; T543-R546 PolarHBondContact O-N 3.38Å; I544-R546 PolarHBondContact O-N 2.72Å |
| 547 | Q | 85.3 | Confident | 84.6 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -69.9 | 151.6 | -177.4 | -64.7 | -61.7 | -45.7 | 0 | 0 | 111.8 | Y434 S490 V494 I544 W545 Q549 | Y434-Q547 HydrophobicContact CD1-CB 3.53Å; Y434-Q547 HydrophobicContact CE1-CB 3.6Å; Y434-Q547 VanDerWaalsContact CE1-O 3.3Å; Y434-Q547 WeakPolarHBondContact CE1-O 3.4Å; S490-Q547 PolarHBondContact OG-OE1 2.93Å; V494-Q547 HydrophobicContact CG2-CB 4.04Å; V494-Q547 HydrophobicContact CG2-CG 3.83Å; I544-Q547 WeakPolarHBondContact O-CB 3.29Å; I544-Q547 PolarHBondContact O-N 3.06Å; I544-Q547 VanDerWaalsContact O-N 3.07Å; W545-Q547 VanDerWaalsContact C-N 3.33Å; W545-Q547 PolarHBondContact O-N 3.48Å; Q547-Q549 PolarHBondContact O-N 3.23Å |
| 548 | P | 80.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 128 | 180 | 27.7 | -34.2 | 0 | 0 | 0 | 110.9 | Y434 S483 | Y434-P548 WeakPolarHBondContact CD1-O 3.2Å; S483-P548 WeakPolarHBondContact O-CB 3.38Å; S483-P548 WeakPolarHBondContact O-CG 3.41Å |
| 549 | Q | 82.8 | Confident | 84 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -89 | 149.8 | 178.5 | -65.2 | -177.3 | 7.7 | 0 | 0 | 111.7 | Y434 Q547 | Y434-Q549 HydrophobicContact CD1-CG 4.24Å; Y434-Q549 HydrophobicContact CE1-CG 3.67Å; Y434-Q549 PolarHBondContact OH-NE2 3.42Å; Q547-Q549 PolarHBondContact O-N 3.23Å |
| 550 | N | 77.7 | Confident | 83.8 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 127.8 | 171 | -174 | -9.2 | 0 | 0 | 0 | 110.6 | R433 Q435 Q552 | R433-N550 WeakPolarHBondContact O-CB 3.24Å; R433-N550 PolarHBondContact O-N 2.8Å; Q435-N550 PolarHBondContact O-ND2 3.49Å; N550-Q552 VanDerWaalsContact C-N 3.34Å; N550-Q552 PolarHBondContact OD1-N 3.27Å; N550-Q552 VanDerWaalsContact OD1-N 3.11Å |
| 551 | Q | 65.9 | Low | 83.5 | Confident | 169 Ų | 169 | 66.9 Ų | 66.9 | 79% | 0.79 | 32% | 0.32 | S | S | * | . | trans | -86.7 | 2.9 | -175.4 | -63.2 | -168.7 | -9.5 | 0 | 0 | 114.4 | K553 | Q551-K553 PolarHBondContact O-N 3.05Å; Q551-K553 VanDerWaalsContact O-N 3.11Å | ||
| 552 | Q | 70.5 | Confident | 83.3 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | trans | -61.4 | 115.8 | -179.8 | -171.4 | 177.7 | -1.1 | 0 | 0 | 111.3 | N550 M557 | N550-Q552 VanDerWaalsContact C-N 3.34Å; N550-Q552 PolarHBondContact OD1-N 3.27Å; N550-Q552 VanDerWaalsContact OD1-N 3.11Å; Q552-M557 WeakPolarHBondContact O-CE 3.48Å | ||
| 553 | K | 69.2 | Low | 83.4 | Confident | 197 Ų | 197 | 67.6 Ų | 67.6 | 86% | 0.857 | 32% | 0.32 | S | S | * | . | trans | -74.6 | 126.5 | 176.9 | -67 | -175.4 | -180 | 179 | 0 | 110 | Q551 | Q551-K553 PolarHBondContact O-N 3.05Å; Q551-K553 VanDerWaalsContact O-N 3.11Å | ||
| 554 | V | 76.5 | Confident | 83.5 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | trans | -119.9 | 161.9 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 109.2 | R92 F556 M557 | R92-V554 HydrophobicContact CG-CB 4.2Å; R92-V554 HydrophobicContact CG-CG1 3.65Å; R92-V554 HydrophobicContact CG-CG2 4.38Å; V554-F556 WeakPolarHBondContact CG2-O 3.44Å; V554-F556 PolarHBondContact O-N 3.28Å; V554-M557 HydrophobicContact CG2-CE 3.66Å; V554-M557 HydrophobicContact CG2-CG 3.5Å; V554-M557 VanDerWaalsContact CG2-CG 3.5Å; V554-M557 HydrophobicContact CG2-SD 4.44Å | ||
| 555 | A | 79.4 | Confident | 83.7 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 51% | 0.512 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -60.3 | -28.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q285 R286 | Q285-A555 HydrophobicContact CB-CB 4.05Å; Q285-A555 VanDerWaalsContact O-CB 3.28Å; Q285-A555 WeakPolarHBondContact O-CB 3.2Å; R286-A555 HydrophobicContact CG-CB 4.2Å |
| 556 | F | 86.4 | Confident | 84 | Confident | 49 Ų | 49 | 61 Ų | 61 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -141.4 | 137 | 174.5 | -179.6 | -92.5 | 0 | 0 | 0 | 111.1 | L84 A87 E88 A91 P289 V554 V558 | L84-F556 HydrophobicContact CD2-CE1 4.28Å; L84-F556 HydrophobicContact CD2-CZ 3.58Å; A87-F556 HydrophobicContact CB-CD1 3.68Å; A87-F556 HydrophobicContact CB-CE1 3.67Å; A87-F556 HydrophobicContact CB-CG 4.43Å; A87-F556 HydrophobicContact CB-CZ 4.4Å; E88-F556 HydrophobicContact CB-CD1 4.09Å; E88-F556 HydrophobicContact CB-CE1 4.48Å; A91-F556 HydrophobicContact CB-CB 4.31Å; P289-F556 HydrophobicContact CB-CB 3.64Å; P289-F556 HydrophobicContact CB-CD1 4.39Å; P289-F556 HydrophobicContact CB-CD2 4.05Å; P289-F556 HydrophobicContact CB-CG 3.76Å; P289-F556 HydrophobicContact CG-CB 3.52Å; P289-F556 HydrophobicContact CG-CG 4.12Å; V554-F556 WeakPolarHBondContact CG2-O 3.44Å; V554-F556 PolarHBondContact O-N 3.28Å; F556-V558 HydrophobicContact CE1-CG2 4.42Å | ||
| 557 | M | 85.8 | Confident | 84.3 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | trans | -129.5 | 130.5 | -179.2 | -72.5 | -156.1 | 151.2 | 0 | 0 | 110 | R433 Q552 V554 | R433-M557 PolarHBondContact NH1-SD 3.42Å; R433-M557 PolarHBondContact NH2-SD 3.01Å; Q552-M557 WeakPolarHBondContact O-CE 3.48Å; V554-M557 HydrophobicContact CG2-CE 3.66Å; V554-M557 HydrophobicContact CG2-CG 3.5Å; V554-M557 VanDerWaalsContact CG2-CG 3.5Å; V554-M557 HydrophobicContact CG2-SD 4.44Å | ||
| 558 | V | 88.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | trans | -61.9 | 128.3 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | L84 E88 V429 F556 L564 P565 | L84-V558 HydrophobicContact CB-CG2 4.36Å; L84-V558 WeakPolarHBondContact O-CG2 3.05Å; E88-V558 HydrophobicContact CB-CG2 3.56Å; E88-V558 HydrophobicContact CG-CG2 4.4Å; E88-V558 WeakPolarHBondContact OE2-CB 3.4Å; E88-V558 VanDerWaalsContact OE2-CG2 3.26Å; E88-V558 WeakPolarHBondContact OE2-CG2 3.21Å; E88-V558 PolarHBondContact OE2-N 3.16Å; V429-V558 HydrophobicContact CG1-CG2 4.34Å; F556-V558 HydrophobicContact CE1-CG2 4.42Å; V558-L564 HydrophobicContact CG1-CB 4.45Å; V558-L564 HydrophobicContact CG1-CD1 4.04Å; V558-L564 HydrophobicContact CG1-CD2 3.78Å; V558-L564 HydrophobicContact CG1-CG 4.32Å; V558-P565 HydrophobicContact CG1-CG 4.41Å | ||
| 559 | P | 88.3 | Confident | 85.5 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -75.3 | 162 | 176.4 | 32.2 | -35.5 | 0 | 0 | 0 | 111.8 | L561 L564 | P559-L561 PolarHBondContact O-N 2.87Å; P559-L564 HydrophobicContact CG-CD1 4.07Å |
| 560 | F | 89.1 | Confident | 86 | Confident | 166 Ų | 166 | 56.3 Ų | 56.3 | 73% | 0.728 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 57.2 | 40.8 | 172.3 | -54.1 | -69.6 | 0 | 0 | 0 | 115.7 | F563 L564 | F560-F563 WeakPolarHBondContact O-CB 3.35Å; F560-F563 PolarHBondContact O-N 3.01Å; F560-L564 HydrophobicContact CB-CB 4.41Å; F560-L564 PolarHBondContact O-N 2.84Å; F560-L564 VanDerWaalsContact O-N 3.07Å |
| 561 | L | 86.1 | Confident | 86.7 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 140.1 | 169 | -82.6 | 149.1 | 0 | 0 | 0 | 111.4 | L430 R433 P559 P565 | L430-L561 HydrophobicContact CD2-CD2 3.88Å; R433-L561 HydrophobicContact CG-CD1 3.92Å; R433-L561 HydrophobicContact CG-CD2 4.1Å; P559-L561 PolarHBondContact O-N 2.87Å; L561-P565 HydrophobicContact CD2-CG 3.93Å |
| 562 | P | 89.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.1 | 3 | -2.2 | 35.4 | -35.8 | 0 | 0 | 0 | 114.8 | L430 I541 I544 W545 A566 | L430-P562 HydrophobicContact CD2-CB 3.54Å; I541-P562 HydrophobicContact CG2-CG 4.07Å; I544-P562 HydrophobicContact CB-CB 4.37Å; I544-P562 HydrophobicContact CB-CG 4.22Å; I544-P562 HydrophobicContact CG2-CB 3.67Å; I544-P562 HydrophobicContact CG2-CG 3.94Å; W545-P562 HydrophobicContact CB-CG 3.84Å; P562-A566 VanDerWaalsContact O-CB 3.26Å; P562-A566 WeakPolarHBondContact O-CB 3.39Å; P562-A566 PolarHBondContact O-N 2.97Å |
| 563 | F | 93.3 | Very high | 88.9 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -45.6 | -171.4 | -57.3 | -85.3 | 0 | 0 | 0 | 113.4 | I541 W545 F560 A566 F567 | I541-F563 HydrophobicContact CG2-CD1 3.46Å; I541-F563 VanDerWaalsContact CG2-CD1 3.46Å; I541-F563 HydrophobicContact CG2-CE1 3.38Å; I541-F563 HydrophobicContact CG2-CG 4.23Å; I541-F563 HydrophobicContact CG2-CZ 4.1Å; W545-F563 HydrophobicContact CG-CE2 4.42Å; F560-F563 WeakPolarHBondContact O-CB 3.35Å; F560-F563 PolarHBondContact O-N 3.01Å; F563-A566 PolarHBondContact O-N 3.46Å; F563-F567 WeakPolarHBondContact O-CB 3.36Å; F563-F567 PolarHBondContact O-N 3.35Å |
| 564 | L | 93.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -52.3 | -175.3 | -175.3 | 166.1 | 0 | 0 | 0 | 112.2 | M81 L84 V558 P559 F560 A566 F567 S568 | M81-L564 HydrophobicContact CB-CD2 3.99Å; M81-L564 HydrophobicContact CB-CG 4.49Å; M81-L564 HydrophobicContact CG-CD2 4.31Å; M81-L564 HydrophobicContact CG-CG 4.29Å; L84-L564 HydrophobicContact CD1-CD1 3.83Å; V558-L564 HydrophobicContact CG1-CB 4.45Å; V558-L564 HydrophobicContact CG1-CD1 4.04Å; V558-L564 HydrophobicContact CG1-CD2 3.78Å; V558-L564 HydrophobicContact CG1-CG 4.32Å; P559-L564 HydrophobicContact CG-CD1 4.07Å; F560-L564 HydrophobicContact CB-CB 4.41Å; F560-L564 PolarHBondContact O-N 2.84Å; F560-L564 VanDerWaalsContact O-N 3.07Å; L564-A566 VanDerWaalsContact C-N 3.34Å; L564-A566 PolarHBondContact O-N 3.09Å; L564-F567 PolarHBondContact O-N 3.42Å; L564-S568 PolarHBondContact O-N 2.92Å |
| 565 | P | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 175.5 | -24.1 | 35.3 | 0 | 0 | 0 | 113.4 | A426 L430 V558 L561 F567 S568 I569 | A426-P565 HydrophobicContact CB-CB 4.23Å; L430-P565 HydrophobicContact CD1-CB 3.8Å; L430-P565 HydrophobicContact CD2-CB 3.99Å; L430-P565 HydrophobicContact CD2-CG 4.08Å; L430-P565 HydrophobicContact CG-CB 3.58Å; L430-P565 HydrophobicContact CG-CG 4.11Å; V558-P565 HydrophobicContact CG1-CG 4.41Å; L561-P565 HydrophobicContact CD2-CG 3.93Å; P565-F567 VanDerWaalsContact C-N 3.33Å; P565-F567 PolarHBondContact O-N 2.96Å; P565-S568 WeakPolarHBondContact O-CB 3.4Å; P565-S568 PolarHBondContact O-N 3.37Å; P565-I569 WeakPolarHBondContact O-CG1 3.27Å; P565-I569 PolarHBondContact O-N 2.92Å |
| 566 | A | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L501 Y537 I541 P562 F563 L564 L570 | L501-A566 HydrophobicContact CD2-CB 3.9Å; Y537-A566 PolarHBondContact OH-O 3.1Å; I541-A566 HydrophobicContact CD1-CB 3.73Å; I541-A566 HydrophobicContact CG1-CB 3.94Å; P562-A566 VanDerWaalsContact O-CB 3.26Å; P562-A566 WeakPolarHBondContact O-CB 3.39Å; P562-A566 PolarHBondContact O-N 2.97Å; F563-A566 PolarHBondContact O-N 3.46Å; L564-A566 VanDerWaalsContact C-N 3.34Å; L564-A566 PolarHBondContact O-N 3.09Å; A566-L570 PolarHBondContact O-N 3.19Å; A566-L570 VanDerWaalsContact O-N 3.16Å |
| 567 | F | 94.4 | Very high | 90.6 | Very high | 101 Ų | 101 | 33.9 Ų | 33.9 | 44% | 0.443 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -74.1 | -35 | 175.1 | -173 | -114.1 | 0 | 0 | 0 | 111.6 | M81 Y537 F563 L564 P565 I569 L570 V571 | M81-F567 HydrophobicContact CE-CD1 3.66Å; M81-F567 HydrophobicContact CE-CE1 3.71Å; M81-F567 HydrophobicContact SD-CD1 3.41Å; M81-F567 WeakPolarHBondContact SD-CD1 3.39Å; M81-F567 HydrophobicContact SD-CE1 3.91Å; Y537-F567 PolarHBondContact OH-N 3.5Å; F563-F567 WeakPolarHBondContact O-CB 3.36Å; F563-F567 PolarHBondContact O-N 3.35Å; L564-F567 PolarHBondContact O-N 3.42Å; P565-F567 VanDerWaalsContact C-N 3.33Å; P565-F567 PolarHBondContact O-N 2.96Å; F567-I569 PolarHBondContact O-N 2.99Å; F567-L570 HydrophobicContact CE2-CD2 4.32Å; F567-L570 WeakPolarHBondContact O-CB 3.4Å; F567-L570 PolarHBondContact O-N 3.15Å; F567-L570 VanDerWaalsContact O-N 3.16Å; F567-V571 HydrophobicContact CD1-CG2 4.31Å; F567-V571 HydrophobicContact CE1-CG2 3.88Å; F567-V571 HydrophobicContact CE2-CG2 4.22Å; F567-V571 HydrophobicContact CZ-CG2 3.82Å; F567-V571 WeakPolarHBondContact O-CG2 3.34Å; F567-V571 PolarHBondContact O-N 3.43Å |
| 568 | S | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 171.2 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | L564 P565 L570 V571 N572 | L564-S568 PolarHBondContact O-N 2.92Å; P565-S568 WeakPolarHBondContact O-CB 3.4Å; P565-S568 PolarHBondContact O-N 3.37Å; S568-L570 VanDerWaalsContact C-N 3.3Å; S568-L570 PolarHBondContact O-N 2.99Å; S568-V571 PolarHBondContact O-N 3.46Å; S568-N572 WeakPolarHBondContact O-CB 3.44Å; S568-N572 PolarHBondContact O-N 3.2Å; S568-N572 PolarHBondContact O-ND2 3.34Å |
| 569 | I | 95.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 173.4 | -67 | 165.6 | 0 | 0 | 0 | 110.7 | A426 A427 L430 P565 F567 I573 | A426-I569 HydrophobicContact CB-CD1 4.3Å; A426-I569 HydrophobicContact CB-CG1 3.79Å; A427-I569 HydrophobicContact CB-CD1 4.16Å; L430-I569 HydrophobicContact CD1-CD1 4.16Å; P565-I569 WeakPolarHBondContact O-CG1 3.27Å; P565-I569 PolarHBondContact O-N 2.92Å; F567-I569 PolarHBondContact O-N 2.99Å; I569-I573 HydrophobicContact CG2-CD1 3.61Å; I569-I573 HydrophobicContact CG2-CG1 4.34Å; I569-I573 WeakPolarHBondContact O-CB 3.43Å; I569-I573 WeakPolarHBondContact O-CG1 3.47Å; I569-I573 PolarHBondContact O-N 3.15Å |
| 570 | L | 94.6 | Very high | 89.6 | Confident | 35 Ų | 35 | 34.3 Ų | 34.3 | 18% | 0.183 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -53.8 | 177.1 | -175.5 | 155.4 | 0 | 0 | 0 | 112 | V505 L508 Y537 A566 F567 S568 N572 Y574 | V505-L570 HydrophobicContact CG1-CB 4.28Å; V505-L570 HydrophobicContact CG1-CG 4.47Å; V505-L570 HydrophobicContact CG2-CB 4.38Å; L508-L570 HydrophobicContact CD2-CD1 4.27Å; Y537-L570 HydrophobicContact CE1-CD1 4.17Å; Y537-L570 HydrophobicContact CE2-CB 4.45Å; Y537-L570 HydrophobicContact CE2-CD1 3.95Å; A566-L570 PolarHBondContact O-N 3.19Å; A566-L570 VanDerWaalsContact O-N 3.16Å; F567-L570 HydrophobicContact CE2-CD2 4.32Å; F567-L570 WeakPolarHBondContact O-CB 3.4Å; F567-L570 PolarHBondContact O-N 3.15Å; F567-L570 VanDerWaalsContact O-N 3.16Å; S568-L570 VanDerWaalsContact C-N 3.3Å; S568-L570 PolarHBondContact O-N 2.99Å; L570-N572 PolarHBondContact O-N 3.17Å; L570-Y574 WeakPolarHBondContact O-CB 2.94Å; L570-Y574 PolarHBondContact O-N 3.23Å |
| 571 | V | 91.4 | Very high | 89.2 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | -178.4 | 175 | 0 | 0 | 0 | 0 | 110.7 | A78 M81 F567 S568 Y574 L575 | A78-V571 HydrophobicContact CB-CG1 3.6Å; M81-V571 HydrophobicContact CE-CG2 4.22Å; F567-V571 HydrophobicContact CD1-CG2 4.31Å; F567-V571 HydrophobicContact CE1-CG2 3.88Å; F567-V571 HydrophobicContact CE2-CG2 4.22Å; F567-V571 HydrophobicContact CZ-CG2 3.82Å; F567-V571 WeakPolarHBondContact O-CG2 3.34Å; F567-V571 PolarHBondContact O-N 3.43Å; S568-V571 PolarHBondContact O-N 3.46Å; V571-Y574 PolarHBondContact O-N 2.84Å; V571-L575 HydrophobicContact CG1-CD1 4.03Å; V571-L575 HydrophobicContact CG1-CG 4.35Å; V571-L575 VanDerWaalsContact O-CG 3.3Å; V571-L575 WeakPolarHBondContact O-CG 3.49Å; V571-L575 PolarHBondContact O-N 3.12Å |
| 572 | N | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | -177.1 | -68.1 | -21.2 | 0 | 0 | 0 | 112.7 | L419 Y422 S423 S568 L570 M576 | L419-N572 HydrophobicContact CD2-CB 4.13Å; Y422-N572 WeakPolarHBondContact CB-ND2 3.05Å; S423-N572 PolarHBondContact N-ND2 2.97Å; S423-N572 WeakPolarHBondContact OG-CB 3.06Å; S568-N572 WeakPolarHBondContact O-CB 3.44Å; S568-N572 PolarHBondContact O-N 3.2Å; S568-N572 PolarHBondContact O-ND2 3.34Å; L570-N572 PolarHBondContact O-N 3.17Å; N572-M576 WeakPolarHBondContact O-CB 3Å; N572-M576 PolarHBondContact O-N 3.26Å |
| 573 | I | 92.1 | Very high | 88.6 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 177.4 | -67.7 | 176.7 | 0 | 0 | 0 | 110.5 | A502 V505 L506 I569 M576 V577 | A502-I573 HydrophobicContact CB-CD1 4.39Å; V505-I573 HydrophobicContact CB-CD1 4.24Å; V505-I573 HydrophobicContact CG1-CB 3.69Å; V505-I573 HydrophobicContact CG1-CD1 3.75Å; V505-I573 HydrophobicContact CG1-CG1 4.22Å; V505-I573 HydrophobicContact CG1-CG2 3.88Å; L506-I573 HydrophobicContact CB-CG2 4.2Å; L506-I573 HydrophobicContact CD1-CG2 3.95Å; I569-I573 HydrophobicContact CG2-CD1 3.61Å; I569-I573 HydrophobicContact CG2-CG1 4.34Å; I569-I573 WeakPolarHBondContact O-CB 3.43Å; I569-I573 WeakPolarHBondContact O-CG1 3.47Å; I569-I573 PolarHBondContact O-N 3.15Å; I573-M576 WeakPolarHBondContact O-CB 3.12Å; I573-M576 PolarHBondContact O-N 3.48Å; I573-V577 WeakPolarHBondContact O-CG2 3.23Å; I573-V577 PolarHBondContact O-N 3.34Å |
| 574 | Y | 89.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 176.9 | 178.1 | -105.2 | 0 | 0 | 0 | 111.9 | L258 T512 L570 V571 M576 V577 Q578 | L258-Y574 HydrophobicContact CD1-CE1 4.49Å; L258-Y574 HydrophobicContact CD2-CE1 3.95Å; L258-Y574 VanDerWaalsContact CD2-OH 3.31Å; L258-Y574 WeakPolarHBondContact CD2-OH 3.5Å; L258-Y574 HydrophobicContact CG-CE1 4.42Å; T512-Y574 WeakPolarHBondContact OG1-CE2 3.15Å; L570-Y574 WeakPolarHBondContact O-CB 2.94Å; L570-Y574 PolarHBondContact O-N 3.23Å; V571-Y574 PolarHBondContact O-N 2.84Å; Y574-M576 VanDerWaalsContact C-N 3.28Å; Y574-M576 PolarHBondContact O-N 2.85Å; Y574-V577 PolarHBondContact O-N 2.95Å; Y574-Q578 PolarHBondContact O-N 2.91Å; Y574-Q578 PolarHBondContact OH-NE2 3.01Å |
| 575 | L | 84.6 | Confident | 87.9 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -35.9 | 175.7 | -67.2 | 179.7 | 0 | 0 | 0 | 112 | A262 F265 L419 V571 V577 Q578 | A262-L575 HydrophobicContact CB-CD2 3.7Å; F265-L575 HydrophobicContact CB-CD1 4.45Å; F265-L575 HydrophobicContact CD2-CD1 4.21Å; F265-L575 HydrophobicContact CG-CD1 4.35Å; L419-L575 HydrophobicContact CD1-CB 3.9Å; L419-L575 HydrophobicContact CD2-CB 4.21Å; L419-L575 HydrophobicContact CD2-CD1 4.2Å; V571-L575 HydrophobicContact CG1-CD1 4.03Å; V571-L575 HydrophobicContact CG1-CG 4.35Å; V571-L575 VanDerWaalsContact O-CG 3.3Å; V571-L575 WeakPolarHBondContact O-CG 3.49Å; V571-L575 PolarHBondContact O-N 3.12Å; L575-V577 VanDerWaalsContact C-N 3.33Å; L575-V577 PolarHBondContact O-N 3.31Å; L575-Q578 PolarHBondContact O-N 3.33Å |
| 576 | M | 86.1 | Confident | 87.5 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 177.4 | -166.8 | -177.5 | 65.7 | 0 | 0 | 112.6 | I416 L419 N572 I573 Y574 Q578 L579 W584 | I416-M576 HydrophobicContact CD1-CG 4.36Å; I416-M576 HydrophobicContact CG1-CG 3.99Å; I416-M576 HydrophobicContact CG1-SD 4.24Å; L419-M576 HydrophobicContact CD1-CB 4.36Å; N572-M576 WeakPolarHBondContact O-CB 3Å; N572-M576 PolarHBondContact O-N 3.26Å; I573-M576 WeakPolarHBondContact O-CB 3.12Å; I573-M576 PolarHBondContact O-N 3.48Å; Y574-M576 VanDerWaalsContact C-N 3.28Å; Y574-M576 PolarHBondContact O-N 2.85Å; M576-Q578 VanDerWaalsContact C-N 3.31Å; M576-L579 PolarHBondContact O-N 3.25Å; M576-W584 HydrophobicContact CE-CH2 3.82Å; M576-W584 HydrophobicContact CE-CZ2 4.18Å; M576-W584 HydrophobicContact CG-CH2 4.07Å; M576-W584 HydrophobicContact CG-CZ2 3.8Å; M576-W584 HydrophobicContact SD-CH2 3.95Å; M576-W584 HydrophobicContact SD-CZ2 4.29Å |
| 577 | V | 86.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.8 | -24.2 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | L506 V510 T513 Y514 I573 Y574 L575 L579 | L506-V577 HydrophobicContact CD1-CG2 3.98Å; V510-V577 HydrophobicContact CG2-CG1 4.3Å; V510-V577 HydrophobicContact CG2-CG2 4.33Å; T513-V577 HydrophobicContact CG2-CG1 4.12Å; Y514-V577 HydrophobicContact CE2-CG1 4.22Å; I573-V577 WeakPolarHBondContact O-CG2 3.23Å; I573-V577 PolarHBondContact O-N 3.34Å; Y574-V577 PolarHBondContact O-N 2.95Å; L575-V577 VanDerWaalsContact C-N 3.33Å; L575-V577 PolarHBondContact O-N 3.31Å; V577-L579 VanDerWaalsContact C-N 3.26Å; V577-L579 PolarHBondContact O-N 2.81Å |
| 578 | Q | 81.1 | Confident | 86.9 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 28% | 0.28 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.7 | 176.6 | -66.8 | -164.1 | 16.8 | 0 | 0 | 114.2 | Y574 L575 M576 | Y574-Q578 PolarHBondContact O-N 2.91Å; Y574-Q578 PolarHBondContact OH-NE2 3.01Å; L575-Q578 PolarHBondContact O-N 3.33Å; M576-Q578 VanDerWaalsContact C-N 3.31Å |
| 579 | L | 78.5 | Confident | 86.7 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -71.6 | 153 | -179.2 | -63.2 | 174.4 | 0 | 0 | 0 | 112.2 | I416 M576 V577 T583 | I416-L579 HydrophobicContact CB-CD1 3.67Å; I416-L579 HydrophobicContact CG1-CD1 4.4Å; M576-L579 PolarHBondContact O-N 3.25Å; V577-L579 VanDerWaalsContact C-N 3.26Å; V577-L579 PolarHBondContact O-N 2.81Å; L579-T583 HydrophobicContact CD1-CG2 4.47Å |
| 580 | S | 80.3 | Confident | 86.5 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | trans | -65.4 | 154.7 | -176.9 | 84.3 | 0 | 0 | 0 | 0 | 113.4 | D582 T583 W584 | S580-D582 VanDerWaalsContact C-N 3.26Å; S580-D582 PolarHBondContact O-N 3.23Å; S580-T583 VanDerWaalsContact O-CB 3.29Å; S580-T583 WeakPolarHBondContact O-CB 3.42Å; S580-T583 PolarHBondContact O-N 3.34Å; S580-T583 VanDerWaalsContact O-N 3.17Å; S580-T583 PolarHBondContact OG-N 3.17Å; S580-T583 PolarHBondContact OG-OG1 3.46Å; S580-W584 PolarHBondContact O-N 3.36Å | ||
| 581 | A | 82.6 | Confident | 86.4 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 61% | 0.612 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.6 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T583 W584 I585 | A581-T583 VanDerWaalsContact C-N 3.28Å; A581-T583 PolarHBondContact O-N 3.23Å; A581-W584 WeakPolarHBondContact O-CB 3.3Å; A581-W584 PolarHBondContact O-N 2.97Å; A581-I585 WeakPolarHBondContact O-CG1 3.41Å; A581-I585 PolarHBondContact O-N 2.83Å |
| 582 | D | 80.1 | Confident | 86.6 | Confident | 107 Ų | 107 | 46.6 Ų | 46.6 | 57% | 0.572 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.8 | -36.8 | 177.4 | -66.9 | -35.9 | 0 | 0 | 0 | 111.8 | S580 I585 R586 | S580-D582 VanDerWaalsContact C-N 3.26Å; S580-D582 PolarHBondContact O-N 3.23Å; D582-I585 PolarHBondContact O-N 2.61Å; D582-R586 WeakPolarHBondContact O-CG 3.29Å; D582-R586 PolarHBondContact O-N 3.31Å; D582-R586 VanDerWaalsContact O-N 3.15Å |
| 583 | T | 81.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.7 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | D412 I416 L579 S580 A581 I585 R586 F587 | D412-T583 HydrophobicContact CB-CG2 4.22Å; D412-T583 WeakPolarHBondContact O-CG2 3.19Å; I416-T583 HydrophobicContact CG2-CG2 4.15Å; L579-T583 HydrophobicContact CD1-CG2 4.47Å; S580-T583 VanDerWaalsContact O-CB 3.29Å; S580-T583 WeakPolarHBondContact O-CB 3.42Å; S580-T583 PolarHBondContact O-N 3.34Å; S580-T583 VanDerWaalsContact O-N 3.17Å; S580-T583 PolarHBondContact OG-N 3.17Å; S580-T583 PolarHBondContact OG-OG1 3.46Å; A581-T583 VanDerWaalsContact C-N 3.28Å; A581-T583 PolarHBondContact O-N 3.23Å; T583-I585 PolarHBondContact O-N 3.11Å; T583-R586 PolarHBondContact O-N 2.87Å; T583-F587 WeakPolarHBondContact O-CB 3.22Å; T583-F587 PolarHBondContact O-N 3.44Å |
| 584 | W | 85.7 | Confident | 86.8 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 35% | 0.352 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 178.4 | -79.6 | 100.2 | 0 | 0 | 0 | 113.1 | I416 M576 S580 A581 S588 | I416-W584 HydrophobicContact CD1-CD2 3.68Å; I416-W584 HydrophobicContact CD1-CE3 3.61Å; I416-W584 HydrophobicContact CD1-CG 4.43Å; I416-W584 HydrophobicContact CD1-CH2 3.74Å; I416-W584 HydrophobicContact CD1-CZ2 3.8Å; I416-W584 HydrophobicContact CD1-CZ3 3.65Å; M576-W584 HydrophobicContact CE-CH2 3.82Å; M576-W584 HydrophobicContact CE-CZ2 4.18Å; M576-W584 HydrophobicContact CG-CH2 4.07Å; M576-W584 HydrophobicContact CG-CZ2 3.8Å; M576-W584 HydrophobicContact SD-CH2 3.95Å; M576-W584 HydrophobicContact SD-CZ2 4.29Å; S580-W584 PolarHBondContact O-N 3.36Å; A581-W584 WeakPolarHBondContact O-CB 3.3Å; A581-W584 PolarHBondContact O-N 2.97Å; W584-S588 WeakPolarHBondContact O-CB 3.29Å; W584-S588 PolarHBondContact O-N 3.49Å; W584-S588 PolarHBondContact O-OG 3.09Å |
| 585 | I | 87.9 | Confident | 87.1 | Confident | 98 Ų | 98 | 50.1 Ų | 50.1 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 176.2 | -67.8 | 167.5 | 0 | 0 | 0 | 110.1 | A581 D582 T583 F587 S588 I589 | A581-I585 WeakPolarHBondContact O-CG1 3.41Å; A581-I585 PolarHBondContact O-N 2.83Å; D582-I585 PolarHBondContact O-N 2.61Å; T583-I585 PolarHBondContact O-N 3.11Å; I585-F587 PolarHBondContact O-N 3.03Å; I585-S588 WeakPolarHBondContact O-CB 3.27Å; I585-S588 PolarHBondContact O-N 3.37Å; I585-I589 HydrophobicContact CG2-CD1 4.17Å; I585-I589 WeakPolarHBondContact O-CG1 3.39Å; I585-I589 PolarHBondContact O-N 3.24Å |
| 586 | R | 84.9 | Confident | 87.6 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 179.7 | -65.4 | 166.9 | -172 | -130.1 | 0.4 | 111.9 | G160 M413 D582 T583 S588 I589 W590 | G160-R586 VanDerWaalsContact CA-NH2 3.31Å; G160-R586 PolarHBondContact O-NH1 3.18Å; G160-R586 PolarHBondContact O-NH2 3.16Å; G160-R586 VanDerWaalsContact O-NH2 3.11Å; M413-R586 HydrophobicContact SD-CB 3.82Å; D582-R586 WeakPolarHBondContact O-CG 3.29Å; D582-R586 PolarHBondContact O-N 3.31Å; D582-R586 VanDerWaalsContact O-N 3.15Å; T583-R586 PolarHBondContact O-N 2.87Å; R586-S588 VanDerWaalsContact C-N 3.31Å; R586-S588 PolarHBondContact O-N 3.4Å; R586-I589 PolarHBondContact O-N 3.29Å; R586-W590 PolarHBondContact O-N 3.04Å; R586-W590 VanDerWaalsContact O-N 3.09Å |
| 587 | F | 86.9 | Confident | 88 | Confident | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 176.1 | -178.3 | -104.7 | 0 | 0 | 0 | 112 | N118 L121 I416 M420 T583 I585 I589 W590 M591 | N118-F587 VanDerWaalsContact OD1-CE2 3.29Å; N118-F587 WeakPolarHBondContact OD1-CE2 3.38Å; N118-F587 WeakPolarHBondContact OD1-CZ 3.49Å; L121-F587 HydrophobicContact CD2-CD2 3.96Å; L121-F587 HydrophobicContact CD2-CE2 4.27Å; I416-F587 HydrophobicContact CD1-CB 4.18Å; I416-F587 HydrophobicContact CD1-CD1 3.83Å; I416-F587 HydrophobicContact CD1-CD2 4.5Å; I416-F587 HydrophobicContact CD1-CE1 4.36Å; I416-F587 HydrophobicContact CD1-CG 3.91Å; I416-F587 HydrophobicContact CG1-CD1 4.31Å; I416-F587 HydrophobicContact CG1-CD2 4.33Å; I416-F587 HydrophobicContact CG1-CE1 4.47Å; I416-F587 HydrophobicContact CG1-CG 4.23Å; I416-F587 HydrophobicContact CG2-CB 4.11Å; I416-F587 HydrophobicContact CG2-CD2 3.67Å; I416-F587 HydrophobicContact CG2-CE2 4.31Å; I416-F587 HydrophobicContact CG2-CG 3.96Å; M420-F587 HydrophobicContact SD-CZ 4.08Å; T583-F587 WeakPolarHBondContact O-CB 3.22Å; T583-F587 PolarHBondContact O-N 3.44Å; I585-F587 PolarHBondContact O-N 3.03Å; F587-I589 PolarHBondContact O-N 3.35Å; F587-W590 PolarHBondContact O-N 3.45Å; F587-M591 HydrophobicContact CD1-CG 4.14Å; F587-M591 HydrophobicContact CE1-CG 3.7Å; F587-M591 HydrophobicContact CE1-SD 4.48Å; F587-M591 HydrophobicContact CE2-CG 4.24Å; F587-M591 HydrophobicContact CE2-SD 4.39Å; F587-M591 HydrophobicContact CZ-CG 3.76Å; F587-M591 HydrophobicContact CZ-SD 3.98Å; F587-M591 WeakPolarHBondContact O-CG 3.41Å; F587-M591 PolarHBondContact O-N 2.82Å |
| 588 | S | 89.7 | Confident | 88.3 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | W584 I585 R586 M591 A592 | W584-S588 WeakPolarHBondContact O-CB 3.29Å; W584-S588 PolarHBondContact O-N 3.49Å; W584-S588 PolarHBondContact O-OG 3.09Å; I585-S588 WeakPolarHBondContact O-CB 3.27Å; I585-S588 PolarHBondContact O-N 3.37Å; R586-S588 VanDerWaalsContact C-N 3.31Å; R586-S588 PolarHBondContact O-N 3.4Å; S588-M591 PolarHBondContact O-N 3.34Å; S588-A592 WeakPolarHBondContact O-CB 3.38Å; S588-A592 PolarHBondContact O-N 3.04Å |
| 589 | I | 90.6 | Very high | 88.9 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.3 | -66 | 165.9 | 0 | 0 | 0 | 110.3 | I585 R586 F587 M591 A592 I593 | I585-I589 HydrophobicContact CG2-CD1 4.17Å; I585-I589 WeakPolarHBondContact O-CG1 3.39Å; I585-I589 PolarHBondContact O-N 3.24Å; R586-I589 PolarHBondContact O-N 3.29Å; F587-I589 PolarHBondContact O-N 3.35Å; I589-M591 PolarHBondContact O-N 3.46Å; I589-A592 WeakPolarHBondContact O-CB 3.32Å; I589-A592 PolarHBondContact O-N 3.4Å; I589-I593 HydrophobicContact CG2-CD1 4.5Å; I589-I593 WeakPolarHBondContact O-CG1 3.42Å; I589-I593 PolarHBondContact O-N 3.09Å; I589-I593 VanDerWaalsContact O-N 3.16Å |
| 590 | W | 90.6 | Very high | 89.5 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177 | -179.9 | -99.3 | 0 | 0 | 0 | 112.5 | W117 I120 L121 R586 F587 A592 I593 G594 | W117-W590 AromaticContact CD1-CD1 3.53Å; W117-W590 AromaticContact CD1-NE1 3.21Å; W117-W590 HydrophobicContact CD2-CZ2 4.24Å; W117-W590 AromaticContact CD2-NE1 3.87Å; W117-W590 AromaticContact CE2-CE2 3.42Å; W117-W590 VanDerWaalsContact CE2-CE2 3.42Å; W117-W590 AromaticContact CE2-CZ2 3.67Å; W117-W590 AromaticContact CE2-NE1 3.32Å; W117-W590 VanDerWaalsContact CE2-NE1 3.32Å; W117-W590 AromaticContact CG-NE1 3.8Å; W117-W590 HydrophobicContact CH2-CH2 4.1Å; W117-W590 AromaticContact CH2-CZ2 3.85Å; W117-W590 HydrophobicContact CH2-CZ2 3.85Å; W117-W590 HydrophobicContact CZ2-CD2 4.09Å; W117-W590 AromaticContact CZ2-CE2 3.54Å; W117-W590 HydrophobicContact CZ2-CE3 4.44Å; W117-W590 AromaticContact CZ2-CH2 3.89Å; W117-W590 HydrophobicContact CZ2-CH2 3.89Å; W117-W590 AromaticContact CZ2-CZ2 3.46Å; W117-W590 HydrophobicContact CZ2-CZ2 3.46Å; W117-W590 VanDerWaalsContact CZ2-CZ2 3.46Å; W117-W590 HydrophobicContact CZ2-CZ3 4.36Å; W117-W590 AromaticContact CZ2-NE1 3.95Å; W117-W590 HydrophobicContact CZ3-CZ2 4.39Å; W117-W590 AromaticContact NE1-CD1 3.2Å; W117-W590 AromaticContact NE1-CD2 3.93Å; W117-W590 AromaticContact NE1-CE2 3.43Å; W117-W590 AromaticContact NE1-CG 3.83Å; W117-W590 AromaticContact NE1-NE1 2.89Å; W117-W590 PolarHBondContact NE1-O 3.47Å; W117-W590 PolarHBondContact O-NE1 3.19Å; I120-W590 HydrophobicContact CG2-CZ2 4.38Å; L121-W590 HydrophobicContact CB-CD2 4.45Å; L121-W590 HydrophobicContact CB-CZ2 4.16Å; L121-W590 HydrophobicContact CD1-CD2 3.57Å; L121-W590 HydrophobicContact CD1-CE3 3.98Å; L121-W590 HydrophobicContact CD1-CG 3.79Å; L121-W590 HydrophobicContact CD1-CZ2 4.15Å; L121-W590 HydrophobicContact CD1-CZ3 4.43Å; L121-W590 HydrophobicContact CD2-CB 4.3Å; L121-W590 HydrophobicContact CD2-CD2 4.47Å; L121-W590 HydrophobicContact CD2-CG 3.85Å; L121-W590 HydrophobicContact CG-CD2 4.34Å; L121-W590 HydrophobicContact CG-CG 4.22Å; R586-W590 PolarHBondContact O-N 3.04Å; R586-W590 VanDerWaalsContact O-N 3.09Å; F587-W590 PolarHBondContact O-N 3.45Å; W590-A592 VanDerWaalsContact C-N 3.32Å; W590-A592 PolarHBondContact O-N 2.87Å; W590-I593 PolarHBondContact O-N 2.78Å; W590-G594 PolarHBondContact O-N 2.79Å |
| 591 | M | 93.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 176.4 | -74.1 | -54.4 | -56.5 | 0 | 0 | 112.2 | I114 N118 F587 S588 I589 I593 G594 F595 | I114-M591 HydrophobicContact CB-CE 4.33Å; I114-M591 HydrophobicContact CG1-CE 4.02Å; I114-M591 HydrophobicContact CG2-CE 3.84Å; N118-M591 PolarHBondContact OD1-SD 3.48Å; F587-M591 HydrophobicContact CD1-CG 4.14Å; F587-M591 HydrophobicContact CE1-CG 3.7Å; F587-M591 HydrophobicContact CE1-SD 4.48Å; F587-M591 HydrophobicContact CE2-CG 4.24Å; F587-M591 HydrophobicContact CE2-SD 4.39Å; F587-M591 HydrophobicContact CZ-CG 3.76Å; F587-M591 HydrophobicContact CZ-SD 3.98Å; F587-M591 WeakPolarHBondContact O-CG 3.41Å; F587-M591 PolarHBondContact O-N 2.82Å; S588-M591 PolarHBondContact O-N 3.34Å; I589-M591 PolarHBondContact O-N 3.46Å; M591-I593 VanDerWaalsContact C-N 3.33Å; M591-I593 PolarHBondContact O-N 2.97Å; M591-G594 PolarHBondContact O-N 2.88Å; M591-F595 HydrophobicContact CB-CD2 4.46Å; M591-F595 HydrophobicContact CB-CE2 4.25Å; M591-F595 HydrophobicContact CE-CD2 4.4Å; M591-F595 HydrophobicContact CE-CE1 4.21Å; M591-F595 HydrophobicContact CE-CE2 3.69Å; M591-F595 HydrophobicContact CE-CZ 3.57Å; M591-F595 WeakPolarHBondContact O-CD2 3.33Å; M591-F595 WeakPolarHBondContact O-CG 3.3Å; M591-F595 PolarHBondContact O-N 2.85Å |
| 592 | A | 94.7 | Very high | 90.3 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S588 I589 W590 F595 L596 | S588-A592 WeakPolarHBondContact O-CB 3.38Å; S588-A592 PolarHBondContact O-N 3.04Å; I589-A592 WeakPolarHBondContact O-CB 3.32Å; I589-A592 PolarHBondContact O-N 3.4Å; W590-A592 VanDerWaalsContact C-N 3.32Å; W590-A592 PolarHBondContact O-N 2.87Å; A592-F595 PolarHBondContact O-N 3.31Å; A592-L596 WeakPolarHBondContact O-CB 3.33Å; A592-L596 PolarHBondContact O-N 2.97Å |
| 593 | I | 94.2 | Very high | 90.7 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174 | -63.7 | 167.9 | 0 | 0 | 0 | 110.5 | W117 I589 W590 M591 F595 L596 I597 | W117-I593 HydrophobicContact CH2-CG2 4.45Å; W117-I593 HydrophobicContact CZ2-CB 4.38Å; W117-I593 HydrophobicContact CZ2-CG2 3.97Å; I589-I593 HydrophobicContact CG2-CD1 4.5Å; I589-I593 WeakPolarHBondContact O-CG1 3.42Å; I589-I593 PolarHBondContact O-N 3.09Å; I589-I593 VanDerWaalsContact O-N 3.16Å; W590-I593 PolarHBondContact O-N 2.78Å; M591-I593 VanDerWaalsContact C-N 3.33Å; M591-I593 PolarHBondContact O-N 2.97Å; I593-F595 PolarHBondContact O-N 3.19Å; I593-L596 WeakPolarHBondContact O-CB 3.43Å; I593-L596 PolarHBondContact O-N 3.09Å; I593-I597 HydrophobicContact CG2-CD1 4.1Å; I593-I597 WeakPolarHBondContact O-CG1 3.46Å; I593-I597 PolarHBondContact O-N 3.28Å; I593-I597 VanDerWaalsContact O-N 3.09Å |
| 594 | G | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F113 W590 M591 L596 I597 Y598 | F113-G594 VanDerWaalsContact CE1-O 3.28Å; F113-G594 WeakPolarHBondContact CE1-O 3.35Å; F113-G594 WeakPolarHBondContact CZ-O 3.49Å; W590-G594 PolarHBondContact O-N 2.79Å; M591-G594 PolarHBondContact O-N 2.88Å; G594-L596 VanDerWaalsContact C-N 3.31Å; G594-L596 PolarHBondContact O-N 3.47Å; G594-I597 PolarHBondContact O-N 3.17Å; G594-I597 VanDerWaalsContact O-N 3.16Å; G594-Y598 PolarHBondContact O-N 2.6Å |
| 595 | F | 95.1 | Very high | 91 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 177.7 | -72.6 | -47.7 | 0 | 0 | 0 | 112.4 | L110 I114 M591 A592 I593 I597 Y598 F599 | L110-F595 HydrophobicContact CD1-CE1 4.15Å; I114-F595 HydrophobicContact CD1-CE1 3.94Å; I114-F595 HydrophobicContact CD1-CZ 3.92Å; I114-F595 HydrophobicContact CG1-CE1 3.73Å; I114-F595 HydrophobicContact CG1-CZ 3.91Å; M591-F595 HydrophobicContact CB-CD2 4.46Å; M591-F595 HydrophobicContact CB-CE2 4.25Å; M591-F595 HydrophobicContact CE-CD2 4.4Å; M591-F595 HydrophobicContact CE-CE1 4.21Å; M591-F595 HydrophobicContact CE-CE2 3.69Å; M591-F595 HydrophobicContact CE-CZ 3.57Å; M591-F595 WeakPolarHBondContact O-CD2 3.33Å; M591-F595 WeakPolarHBondContact O-CG 3.3Å; M591-F595 PolarHBondContact O-N 2.85Å; A592-F595 PolarHBondContact O-N 3.31Å; I593-F595 PolarHBondContact O-N 3.19Å; F595-I597 VanDerWaalsContact C-N 3.31Å; F595-I597 PolarHBondContact O-N 3.4Å; F595-Y598 PolarHBondContact O-N 3.2Å; F595-F599 HydrophobicContact CB-CD2 4.05Å; F595-F599 HydrophobicContact CB-CE2 4.03Å; F595-F599 AromaticContact CD1-CE2 3.94Å; F595-F599 HydrophobicContact CD1-CE2 3.94Å; F595-F599 HydrophobicContact CG-CE2 4.23Å; F595-F599 WeakPolarHBondContact O-CB 3.2Å; F595-F599 WeakPolarHBondContact O-CD2 3.39Å; F595-F599 PolarHBondContact O-N 3.31Å |
| 596 | L | 95.6 | Very high | 91 | Very high | 127 Ų | 127 | 53.2 Ų | 53.2 | 67% | 0.665 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58 | -45.9 | 173.8 | -174.8 | 68.5 | 0 | 0 | 0 | 111 | A592 I593 G594 A600 | A592-L596 WeakPolarHBondContact O-CB 3.33Å; A592-L596 PolarHBondContact O-N 2.97Å; I593-L596 WeakPolarHBondContact O-CB 3.43Å; I593-L596 PolarHBondContact O-N 3.09Å; G594-L596 VanDerWaalsContact C-N 3.31Å; G594-L596 PolarHBondContact O-N 3.47Å; L596-A600 WeakPolarHBondContact O-CB 3.39Å; L596-A600 PolarHBondContact O-N 2.69Å |
| 597 | I | 94.2 | Very high | 90.9 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 177.3 | -64.2 | 166.4 | 0 | 0 | 0 | 110.9 | W117 L373 F374 I593 G594 F595 Y601 G602 | W117-I597 HydrophobicContact CH2-CD1 3.72Å; W117-I597 HydrophobicContact CZ2-CD1 4.34Å; W117-I597 HydrophobicContact CZ3-CD1 4.17Å; L373-I597 HydrophobicContact CD2-CG2 4.12Å; F374-I597 HydrophobicContact CE2-CG2 4.43Å; F374-I597 HydrophobicContact CZ-CG2 4.49Å; I593-I597 HydrophobicContact CG2-CD1 4.1Å; I593-I597 WeakPolarHBondContact O-CG1 3.46Å; I593-I597 PolarHBondContact O-N 3.28Å; I593-I597 VanDerWaalsContact O-N 3.09Å; G594-I597 PolarHBondContact O-N 3.17Å; G594-I597 VanDerWaalsContact O-N 3.16Å; F595-I597 VanDerWaalsContact C-N 3.31Å; F595-I597 PolarHBondContact O-N 3.4Å; I597-Y601 WeakPolarHBondContact O-CB 3.2Å; I597-Y601 PolarHBondContact O-N 3.19Å; I597-G602 PolarHBondContact O-N 3.41Å |
| 598 | Y | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -63.1 | -49 | -178.5 | 179.6 | -105.9 | 0 | 0 | 0 | 112.5 | L14 E109 L110 F113 L372 G594 F595 G602 I603 | L14-Y598 HydrophobicContact CD2-CE1 3.72Å; E109-Y598 HydrophobicContact CG-CE2 4.33Å; E109-Y598 PolarHBondContact OE1-OH 3.09Å; L110-Y598 HydrophobicContact CD1-CD1 4.08Å; L110-Y598 HydrophobicContact CD1-CE1 3.74Å; F113-Y598 HydrophobicContact CB-CD2 3.92Å; F113-Y598 HydrophobicContact CB-CE2 4.12Å; F113-Y598 HydrophobicContact CD1-CD2 4.08Å; F113-Y598 AromaticContact CD1-CG 3.99Å; F113-Y598 HydrophobicContact CD1-CG 3.99Å; F113-Y598 AromaticContact CD2-CD2 3.62Å; F113-Y598 HydrophobicContact CD2-CD2 3.62Å; F113-Y598 HydrophobicContact CD2-CE2 4.49Å; F113-Y598 HydrophobicContact CD2-CG 4.22Å; F113-Y598 HydrophobicContact CE1-CG 4.3Å; F113-Y598 HydrophobicContact CE2-CD2 4.19Å; F113-Y598 HydrophobicContact CE2-CG 4.5Å; F113-Y598 AromaticContact CG-CD2 3.56Å; F113-Y598 HydrophobicContact CG-CD2 3.56Å; F113-Y598 HydrophobicContact CG-CE2 4.27Å; F113-Y598 AromaticContact CG-CG 3.96Å; F113-Y598 HydrophobicContact CG-CG 3.96Å; L372-Y598 HydrophobicContact CD2-CE2 4.1Å; G594-Y598 PolarHBondContact O-N 2.6Å; F595-Y598 PolarHBondContact O-N 3.2Å; Y598-G602 WeakPolarHBondContact O-CA 3.46Å; Y598-G602 PolarHBondContact O-N 2.89Å; Y598-I603 HydrophobicContact CE1-CB 4.43Å; Y598-I603 PolarHBondContact O-N 3.04Å |
| 599 | F | 92.9 | Very high | 89.9 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 38% | 0.382 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -74.9 | -29.2 | -178.2 | -69.3 | -62.5 | 0 | 0 | 0 | 113 | F10 L14 F595 | F10-F599 HydrophobicContact CZ-CD1 4.32Å; F10-F599 AromaticContact CZ-CE1 3.89Å; F10-F599 HydrophobicContact CZ-CE1 3.89Å; L14-F599 HydrophobicContact CD2-CE1 4.17Å; F595-F599 HydrophobicContact CB-CD2 4.05Å; F595-F599 HydrophobicContact CB-CE2 4.03Å; F595-F599 AromaticContact CD1-CE2 3.94Å; F595-F599 HydrophobicContact CD1-CE2 3.94Å; F595-F599 HydrophobicContact CG-CE2 4.23Å; F595-F599 WeakPolarHBondContact O-CB 3.2Å; F595-F599 WeakPolarHBondContact O-CD2 3.39Å; F595-F599 PolarHBondContact O-N 3.31Å |
| 600 | A | 92.3 | Very high | 88.9 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 51% | 0.512 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -78.7 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L596 | L596-A600 WeakPolarHBondContact O-CB 3.39Å; L596-A600 PolarHBondContact O-N 2.69Å |
| 601 | Y | 92.6 | Very high | 87.7 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 17% | 0.169 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -118.6 | -57.9 | -172 | -177.5 | -91.7 | 0 | 0 | 0 | 113.1 | L373 F374 K375 I597 I603 R604 H605 | L373-Y601 VanDerWaalsContact O-CE1 3.31Å; L373-Y601 WeakPolarHBondContact O-CE1 3.4Å; F374-Y601 HydrophobicContact CD1-CD1 4.31Å; F374-Y601 HydrophobicContact CD1-CD2 4.03Å; F374-Y601 HydrophobicContact CD1-CE1 4.33Å; F374-Y601 HydrophobicContact CD1-CE2 4.03Å; F374-Y601 HydrophobicContact CD1-CG 4.17Å; F374-Y601 HydrophobicContact CE1-CD2 4.07Å; F374-Y601 HydrophobicContact CE1-CG 4.11Å; K375-Y601 PolarHBondContact N-OH 3.44Å; I597-Y601 WeakPolarHBondContact O-CB 3.2Å; I597-Y601 PolarHBondContact O-N 3.19Å; Y601-I603 PolarHBondContact O-N 3.48Å; Y601-R604 PolarHBondContact O-N 3.43Å; Y601-H605 HydrophobicContact CD1-CB 4.39Å; Y601-H605 AromaticContact CD2-CE1 3.78Å; Y601-H605 AromaticContact CD2-ND1 3.64Å; Y601-H605 HydrophobicContact CE1-CB 3.92Å; Y601-H605 AromaticContact CE2-CD2 4Å; Y601-H605 AromaticContact CE2-CE1 3.65Å; Y601-H605 AromaticContact CE2-CG 3.85Å; Y601-H605 AromaticContact CE2-ND1 3.63Å; Y601-H605 AromaticContact CE2-NE2 3.88Å; Y601-H605 AromaticContact CG-ND1 3.99Å; Y601-H605 AromaticContact CZ-CD2 3.99Å; Y601-H605 AromaticContact CZ-CG 3.74Å; Y601-H605 AromaticContact CZ-ND1 3.97Å; Y601-H605 PolarHBondContact O-N 3.37Å; Y601-H605 PolarHBondContact O-ND1 3.35Å |
| 602 | G | 87.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -59.1 | -47.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I597 Y598 R604 H605 S606 | I597-G602 PolarHBondContact O-N 3.41Å; Y598-G602 WeakPolarHBondContact O-CA 3.46Å; Y598-G602 PolarHBondContact O-N 2.89Å; G602-R604 PolarHBondContact O-N 3.24Å; G602-R604 VanDerWaalsContact O-N 3.14Å; G602-H605 PolarHBondContact O-N 3.37Å; G602-H605 VanDerWaalsContact O-N 3.08Å; G602-S606 PolarHBondContact O-N 2.69Å |
| 603 | I | 87.4 | Confident | 84.6 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -28.5 | -178 | -162.9 | 171.9 | 0 | 0 | 0 | 113 | F10 C13 L14 Y598 Y601 | F10-I603 HydrophobicContact CD2-CD1 4.02Å; F10-I603 HydrophobicContact CE2-CD1 3.61Å; F10-I603 HydrophobicContact CZ-CD1 4.4Å; C13-I603 HydrophobicContact CB-CD1 4.24Å; C13-I603 HydrophobicContact CB-CG1 4.24Å; L14-I603 HydrophobicContact CD2-CD1 4.07Å; Y598-I603 HydrophobicContact CE1-CB 4.43Å; Y598-I603 PolarHBondContact O-N 3.04Å; Y601-I603 PolarHBondContact O-N 3.48Å |
| 604 | R | 85.8 | Confident | 83 | Confident | 191 Ų | 191 | 63.7 Ų | 63.7 | 72% | 0.721 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -87.9 | -21.8 | 179.7 | -61.8 | -178.7 | -176.3 | 178.7 | 1.1 | 113 | Y601 G602 | Y601-R604 PolarHBondContact O-N 3.43Å; G602-R604 PolarHBondContact O-N 3.24Å; G602-R604 VanDerWaalsContact O-N 3.14Å |
| 605 | H | 87 | Confident | 81.2 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -109.8 | -3.3 | -173.8 | -69.6 | 84.7 | 0 | 0 | 0 | 113.9 | G371 Y601 G602 L607 | G371-H605 CarbonylContact O-C 3.45Å; G371-H605 WeakPolarHBondContact O-CB 3.01Å; Y601-H605 HydrophobicContact CD1-CB 4.39Å; Y601-H605 AromaticContact CD2-CE1 3.78Å; Y601-H605 AromaticContact CD2-ND1 3.64Å; Y601-H605 HydrophobicContact CE1-CB 3.92Å; Y601-H605 AromaticContact CE2-CD2 4Å; Y601-H605 AromaticContact CE2-CE1 3.65Å; Y601-H605 AromaticContact CE2-CG 3.85Å; Y601-H605 AromaticContact CE2-ND1 3.63Å; Y601-H605 AromaticContact CE2-NE2 3.88Å; Y601-H605 AromaticContact CG-ND1 3.99Å; Y601-H605 AromaticContact CZ-CD2 3.99Å; Y601-H605 AromaticContact CZ-CG 3.74Å; Y601-H605 AromaticContact CZ-ND1 3.97Å; Y601-H605 PolarHBondContact O-N 3.37Å; Y601-H605 PolarHBondContact O-ND1 3.35Å; G602-H605 PolarHBondContact O-N 3.37Å; G602-H605 VanDerWaalsContact O-N 3.08Å; H605-L607 PolarHBondContact O-N 3.15Å |
| 606 | S | 87.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | trans | -51.1 | 122.7 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | E109 G602 G609 R610 | E109-S606 WeakPolarHBondContact OE2-CB 3.38Å; E109-S606 PolarHBondContact OE2-OG 3.44Å; G602-S606 PolarHBondContact O-N 2.69Å; S606-G609 PolarHBondContact O-N 3.36Å; S606-R610 PolarHBondContact O-N 3.05Å | ||
| 607 | L | 82.9 | Confident | 77.2 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | -179.9 | -70.2 | -176.6 | 0 | 0 | 0 | 112.4 | E369 D370 H605 G609 R610 L611 | E369-L607 WeakPolarHBondContact O-CD1 3.43Å; D370-L607 PolarHBondContact O-N 3.42Å; D370-L607 VanDerWaalsContact O-N 3.11Å; H605-L607 PolarHBondContact O-N 3.15Å; L607-G609 PolarHBondContact O-N 3.5Å; L607-R610 PolarHBondContact O-N 2.84Å; L607-L611 PolarHBondContact O-N 2.84Å |
| 608 | E | 81.4 | Confident | 74.9 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -22 | 175.5 | -65.3 | -63.2 | 164.8 | 0 | 0 | 112.2 | ||
| 609 | G | 73.9 | Confident | 72.6 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R16 S606 L607 R612 D613 | R16-G609 VanDerWaalsContact NH1-CA 3.26Å; S606-G609 PolarHBondContact O-N 3.36Å; L607-G609 PolarHBondContact O-N 3.5Å; G609-R612 PolarHBondContact O-N 3.49Å; G609-D613 PolarHBondContact O-N 2.84Å; G609-D613 VanDerWaalsContact O-N 3.15Å |
| 610 | R | 69.9 | Low | 69.9 | Low | 117 Ų | 117 | 83.9 Ų | 83.9 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.8 | -44.9 | -176.2 | -66 | -176.9 | 179.6 | -162.1 | -5.9 | 112.8 | S606 L607 R612 D613 E614 | S606-R610 PolarHBondContact O-N 3.05Å; L607-R610 PolarHBondContact O-N 2.84Å; R610-R612 PolarHBondContact O-N 3.06Å; R610-R612 VanDerWaalsContact O-N 3.15Å; R610-D613 PolarHBondContact O-N 3.21Å; R610-E614 WeakPolarHBondContact O-CG 3.35Å; R610-E614 PolarHBondContact O-N 2.97Å |
| 611 | L | 64.8 | Low | 67.4 | Low | 85 Ų | 85 | 85.4 Ų | 85.4 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58 | -30.8 | 178.4 | -71.3 | 171.2 | 0 | 0 | 0 | 112.2 | L607 N615 | L607-L611 PolarHBondContact O-N 2.84Å; L611-N615 PolarHBondContact O-N 3.35Å; L611-N615 PolarHBondContact O-ND2 3.08Å |
| 612 | R | 61.7 | Low | 64.8 | Low | 137 Ų | 137 | 90 Ų | 90 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -85.1 | -35.3 | -178.8 | -160.8 | 170.8 | 179.5 | 167.7 | 3.1 | 112.6 | G609 R610 E614 N615 D616 | G609-R612 PolarHBondContact O-N 3.49Å; R610-R612 PolarHBondContact O-N 3.06Å; R610-R612 VanDerWaalsContact O-N 3.15Å; R612-E614 VanDerWaalsContact C-N 3.29Å; R612-N615 PolarHBondContact O-N 3.36Å; R612-D616 WeakPolarHBondContact O-CB 3.19Å; R612-D616 PolarHBondContact O-N 2.65Å |
| 613 | D | 62.2 | Low | 62.4 | Low | 92 Ų | 92 | 96.1 Ų | 96.1 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 171.9 | -65.7 | -21.5 | 0 | 0 | 0 | 110.2 | G609 R610 D616 E617 | G609-D613 PolarHBondContact O-N 2.84Å; G609-D613 VanDerWaalsContact O-N 3.15Å; R610-D613 PolarHBondContact O-N 3.21Å; D613-D616 PolarHBondContact O-N 3.13Å; D613-E617 WeakPolarHBondContact O-CG 3.41Å; D613-E617 PolarHBondContact O-N 3.37Å |
| 614 | E | 59.7 | Low | 60.1 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 172.8 | -72.3 | 171.7 | 177.5 | 0 | 0 | 112.2 | R610 R612 D616 E617 D618 | R610-E614 WeakPolarHBondContact O-CG 3.35Å; R610-E614 PolarHBondContact O-N 2.97Å; R612-E614 VanDerWaalsContact C-N 3.29Å; E614-D616 PolarHBondContact O-N 3.09Å; E614-E617 PolarHBondContact O-N 2.86Å; E614-D618 PolarHBondContact O-N 3.25Å; E614-D618 VanDerWaalsContact O-N 3.09Å |
| 615 | N | 57.4 | Low | 57.6 | Low | 106 Ų | 106 | 99.9 Ų | 99.9 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.6 | -31.3 | 177.5 | -76.7 | -53.7 | 0 | 0 | 0 | 113.7 | L611 R612 A619 | L611-N615 PolarHBondContact O-N 3.35Å; L611-N615 PolarHBondContact O-ND2 3.08Å; R612-N615 PolarHBondContact O-N 3.36Å; N615-A619 WeakPolarHBondContact O-CB 3.37Å; N615-A619 PolarHBondContact O-N 3.26Å |
| 616 | D | 56.6 | Low | 55.2 | Low | 97 Ų | 97 | 100.2 Ų | 100.2 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.3 | -29.7 | 176.5 | -81.7 | -13.5 | 0 | 0 | 0 | 111.3 | R612 D613 E614 | R612-D616 WeakPolarHBondContact O-CB 3.19Å; R612-D616 PolarHBondContact O-N 2.65Å; D613-D616 PolarHBondContact O-N 3.13Å; E614-D616 PolarHBondContact O-N 3.09Å |
| 617 | E | 49.2 | Very low | 52.5 | Low | 152 Ų | 152 | 103.4 Ų | 103.4 | 71% | 0.71 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.9 | -40.7 | 170.9 | -78.9 | -175.9 | 172.5 | 0 | 0 | 111.9 | D613 E614 A619 Y620 | D613-E617 WeakPolarHBondContact O-CG 3.41Å; D613-E617 PolarHBondContact O-N 3.37Å; E614-E617 PolarHBondContact O-N 2.86Å; E617-A619 VanDerWaalsContact C-N 3.26Å; E617-A619 PolarHBondContact O-N 3.4Å; E617-Y620 PolarHBondContact O-N 3.35Å |
| 618 | D | 47.3 | Very low | 50.2 | Low | 136 Ų | 136 | 105 Ų | 105 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.4 | -20.1 | 175.9 | -74.3 | -28.6 | 0 | 0 | 0 | 113.5 | E614 Y620 | E614-D618 PolarHBondContact O-N 3.25Å; E614-D618 VanDerWaalsContact O-N 3.09Å; D618-Y620 VanDerWaalsContact C-N 3.34Å |
| 619 | A | 43.9 | Very low | 47.9 | Very low | 67 Ų | 67 | 110.7 Ų | 110.7 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N615 E617 | N615-A619 WeakPolarHBondContact O-CB 3.37Å; N615-A619 PolarHBondContact O-N 3.26Å; E617-A619 VanDerWaalsContact C-N 3.26Å; E617-A619 PolarHBondContact O-N 3.4Å |
| 620 | Y | 37.3 | Very low | 46 | Very low | 180 Ų | 180 | 117.5 Ų | 117.5 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | trans | -125.2 | 91.9 | 174.2 | -91.8 | -87.9 | 0 | 0 | 0 | 110.3 | E617 D618 D622 | E617-Y620 PolarHBondContact O-N 3.35Å; D618-Y620 VanDerWaalsContact C-N 3.34Å; Y620-D622 PolarHBondContact O-N 3.49Å | ||
| 621 | P | 38.4 | Very low | 44.2 | Very low | 94 Ų | 94 | 120 Ų | 120 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | trans | -72.9 | 80.3 | 162.2 | 31.1 | -30.7 | 0 | 0 | 0 | 108.1 | N623 | P621-N623 PolarHBondContact O-N 3.15Š| ||
| 622 | D | 37.9 | Very low | 42.6 | Very low | 139 Ų | 139 | 120 Ų | 120 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -70.3 | 71 | 158.9 | -92.5 | -12.5 | 0 | 0 | 0 | 107.8 | Y620 | Y620-D622 PolarHBondContact O-N 3.49Š| ||
| 623 | N | 37.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 117.3 Ų | 117.3 | 68% | 0.684 | 64% | 0.636 | S | S | * | * | trans | -172.2 | 57.7 | 157.9 | -92.5 | -27.9 | 0 | 0 | 0 | 110.9 | P621 | P621-N623 PolarHBondContact O-N 3.15Š| ||
| 624 | I | 38.4 | Very low | 40 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 64% | 0.641 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -79.6 | -4.5 | 166.8 | -69.5 | 177.9 | 0 | 0 | 0 | 112.2 | T628 | I624-T628 PolarHBondContact O-OG1 3.12Š|
| 625 | H | 34.1 | Very low | 38.6 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 79% | 0.787 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -103.4 | -5.4 | 179.4 | -82.9 | -67.8 | 0 | 0 | 0 | 116.6 | ||
| 626 | A | 35.8 | Very low | 37.4 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 54% | 0.537 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -99.1 | -19.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 627 | A | 31.5 | Very low | 36.2 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 56% | 0.562 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -94.1 | 0.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 628 | T | 34.1 | Very low | 35.2 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -105.8 | -13.1 | -175.3 | -34.9 | 0 | 0 | 0 | 0 | 113.1 | I624 S632 | I624-T628 PolarHBondContact O-OG1 3.12Å; T628-S632 PolarHBondContact O-OG 3.2Å |
| 629 | E | 33.8 | Very low | 34.2 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -92.4 | -23.2 | 173.2 | -77.1 | -172.5 | 155.7 | 0 | 0 | 113.6 | S632 | E629-S632 PolarHBondContact O-OG 3.49Š|
| 630 | E | 34.4 | Very low | 33.4 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -84.6 | -21.9 | 179 | -152.7 | 173.1 | -166.9 | 0 | 0 | 113 | ||
| 631 | K | 31.7 | Very low | 33.2 | Very low | 170 Ų | 170 | 130 Ų | 130 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -85.9 | -16.2 | 176.4 | -89.7 | -176.8 | 176.1 | 176.7 | 0 | 114.8 | ||
| 632 | S | 31 | Very low | 32.6 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -88.9 | -19.2 | 177.3 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | T628 E629 | T628-S632 PolarHBondContact O-OG 3.2Å; E629-S632 PolarHBondContact O-OG 3.49Å |
| 633 | A | 34.5 | Very low | 32 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -85.3 | -20.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 634 | I | 36.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 68% | 0.677 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -93.7 | -11.1 | -174.9 | -61.5 | 174.1 | 0 | 0 | 0 | 112.3 | ||
| 635 | Q | 30.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 12.7 | -174.7 | -137.4 | 171.2 | 16.5 | 0 | 0 | 115 | ||
| 636 | A | 31.6 | Very low | 30.6 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -1.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 637 | H | 31.4 | Very low | 30.6 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -132.2 | 110.2 | 177.4 | -104.8 | -69.9 | 0 | 0 | 0 | 111.3 | ||
| 638 | D | 28.4 | Very low | 30.4 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 132.2 | 85 | 147.6 | -74.7 | -14 | 0 | 0 | 0 | 114.3 | ||||
| 639 | H | 26.1 | Very low | 30.1 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 88% | 0.884 | 76% | 0.764 | S | S | * | * | trans | -108.6 | 102.2 | 150.1 | -100.9 | -53.4 | 0 | 0 | 0 | 109 | ||||
| 640 | H | 26.7 | Very low | 30 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -154.4 | 130.6 | 152 | -113.3 | -49.7 | 0 | 0 | 0 | 110.5 | ||||
| 641 | P | 33.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -99.4 | 133.2 | -177.8 | 35 | -27.7 | 0 | 0 | 0 | 111.5 | ||||
| 642 | R | 25.3 | Very low | 29.7 | Very low | 246 Ų | 246 | 148.8 Ų | 148.8 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | trans | -146.3 | 103.2 | 160.2 | -77.7 | -166.2 | -176.2 | 170.6 | 2.5 | 112.5 | ||||
| 643 | N | 24.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | 20.1 | 135.1 | 126 | -108.2 | 5.3 | 0 | 0 | 0 | 121.4 | |||||
| 644 | V | 27.7 | Very low | 29.5 | Very low | 120 Ų | 120 | 155 Ų | 155 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 110.2 | 126 | 137.6 | 178.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 645 | S | 24.8 | Very low | 29.4 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 75.5 | 113.2 | 148.3 | 63.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 646 | L | 28.7 | Very low | 29.8 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -44.4 | 167.1 | 138.8 | -84.4 | 144.3 | 0 | 0 | 0 | 112.3 | ||||
| 647 | P | 36.8 | Very low | 30.2 | Very low | 97 Ų | 97 | 162.5 Ų | 162.5 | 63% | 0.63 | 81% | 0.81 | S | S | * | * | cis | -152.2 | -173.7 | 26.4 | 39.2 | -16.1 | 0 | 0 | 0 | 118.3 | ||||
| 648 | F | 27.6 | Very low | 30.1 | Very low | 193 Ų | 193 | 162.3 Ų | 162.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | 74.1 | 139.4 | 146.5 | -91 | -68.7 | 0 | 0 | 0 | 117.1 | ||||
| 649 | I | 27.5 | Very low | 30.2 | Very low | 150 Ų | 150 | 162.8 Ų | 162.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -165.2 | 151.4 | 47.1 | -71.3 | -173 | 0 | 0 | 0 | 111.4 | ||||
| 650 | F | 30 | Very low | 30.4 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -65.9 | 147.7 | 167.5 | -118.1 | -101 | 0 | 0 | 0 | 114.3 | ||||
| 651 | H | 28.3 | Very low | 30.7 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -148.3 | 124 | 147.2 | -127.2 | -60.8 | 0 | 0 | 0 | 113.9 | ||||
| 652 | E | 31.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 162.4 Ų | 162.4 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -91 | 150.4 | 169.2 | -177.4 | -179.6 | -160.6 | 0 | 0 | 109.9 | ||||
| 653 | K | 29.4 | Very low | 30.8 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | 164 | 110.9 | 150.1 | -95.4 | -178.8 | 178.4 | -178.3 | 0 | 110.1 | ||||
| 654 | T | 33.6 | Very low | 31.2 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | 78.7 | 143.8 | 79.9 | 58.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 655 | S | 33.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 159.5 Ų | 159.5 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 76.6 | 111 | 155.2 | 65.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 656 | E | 37.3 | Very low | 32.1 | Very low | 173 Ų | 173 | 163.8 Ų | 163.8 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | 81.3 | 110.1 | 91.6 | -74.7 | -173.9 | 162.2 | 0 | 0 | 113.2 | |||||
| 657 | F | 40.5 | Very low | 32.4 | Very low | 280 Ų | 280 | 164.1 Ų | 164.1 | 100% | 1.228 | 80% | 0.802 | S | S | * | * | -172.6 | 0 | 112.2 | -102.3 | -74.7 | 0 | 0 | 0 | 110.1 |
Retrieved 657 of 657 residues in 172.1 ms
(Link to these results)