| 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 | 31.6 | Very low | 63.6 | Low | 237 Ų | 237 | 102.8 Ų | 102.8 | 100% | 1.167 | 61% | 0.606 | S | S | * | * | 0 | 102.7 | 0 | -82.5 | 172 | 172.3 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.47Š| |||
| 2 | H | 39.3 | Very low | 65.4 | Low | 177 Ų | 177 | 100.8 Ų | 100.8 | 82% | 0.819 | 59% | 0.59 | S | S | * | * | trans | -80.2 | 103.7 | 170.3 | -87.1 | -71.3 | 0 | 0 | 0 | 107.2 | S4 | H2-S4 PolarHBondContact O-N 2.96Š| ||
| 3 | T | 44.8 | Very low | 66.8 | Low | 125 Ų | 125 | 103.7 Ų | 103.7 | 77% | 0.767 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 121.8 | 164.7 | 39.5 | 0 | 0 | 0 | 0 | 107.8 | M1 | M1-T3 PolarHBondContact O-N 3.47Š|
| 4 | S | 53.2 | Low | 68 | Low | 74 Ų | 74 | 97.5 Ų | 97.5 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 133.8 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | H2 N6 D93 | H2-S4 PolarHBondContact O-N 2.96Å; S4-N6 PolarHBondContact O-N 3.03Å; S4-D93 PolarHBondContact OG-OD1 3.41Å |
| 5 | P | 61.2 | Low | 69.3 | Low | 27 Ų | 27 | 91.5 Ų | 91.5 | 18% | 0.175 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 132.2 | -175.3 | 16.7 | -18.9 | 0 | 0 | 0 | 111 | C7 C92 L95 | P5-C7 PolarHBondContact O-N 2.82Å; P5-C92 HydrophobicContact CB-CB 4.42Å; P5-C92 HydrophobicContact CG-CB 3.93Å; P5-C92 WeakPolarHBondContact CG-O 3.3Å; P5-C92 WeakPolarHBondContact O-CB 3.34Å; P5-C92 PolarHBondContact O-SG 3.17Å; P5-L95 HydrophobicContact CG-CD1 4.45Å |
| 6 | N | 69.1 | Low | 70.4 | Confident | 170 Ų | 170 | 89.5 Ų | 89.5 | 91% | 0.909 | 52% | 0.523 | S | S | * | . | trans | -76.4 | 112.3 | 168.9 | -84.3 | -16.7 | 0 | 0 | 0 | 109.3 | S4 | S4-N6 PolarHBondContact O-N 3.03Š| ||
| 7 | C | 76.4 | Confident | 71.4 | Confident | 32 Ų | 32 | 86.2 Ų | 86.2 | 22% | 0.216 | 50% | 0.504 | C | S | . | . | trans | -87.3 | 147.2 | 176.9 | -58.2 | 0 | 0 | 0 | 0 | 113 | P5 V11 L12 C92 | P5-C7 PolarHBondContact O-N 2.82Å; C7-V11 HydrophobicContact CB-CB 4.02Å; C7-V11 HydrophobicContact CB-CG1 3.85Å; C7-L12 HydrophobicContact CB-CD2 4.04Å; C7-L12 HydrophobicContact CB-CG 3.88Å; C7-C92 HydrophobicContact CB-CB 4.35Å; C7-C92 WeakPolarHBondContact CB-SG 3.23Å; C7-C92 PolarHBondContact N-SG 3.06Å; C7-C92 WeakPolarHBondContact SG-CA 3.41Å; C7-C92 WeakPolarHBondContact SG-CB 3.12Å; C7-C92 CovalentContact SG-SG 2.01Å; C7-C92 PolarHBondContact SG-SG 3.34Å | ||
| 8 | T | 82.2 | Confident | 72.2 | Confident | 88 Ų | 88 | 81.4 Ų | 81.4 | 54% | 0.54 | 48% | 0.476 | S | S | . | . | trans | -76.5 | 162.8 | 162.4 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | A10 V11 L12 | T8-A10 VanDerWaalsContact C-N 3.26Å; T8-A10 PolarHBondContact O-N 2.91Å; T8-V11 PolarHBondContact O-N 3.36Å; T8-V11 VanDerWaalsContact O-N 3.11Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.14Å; T8-V11 PolarHBondContact OG1-N 3.01Å; T8-L12 PolarHBondContact O-N 3.17Å; T8-L12 VanDerWaalsContact O-N 3.11Å | ||
| 9 | A | 81.4 | Confident | 73 | Confident | 82 Ų | 82 | 80 Ų | 80 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.1 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V11 L12 E13 | A9-V11 VanDerWaalsContact C-N 3.35Å; A9-V11 PolarHBondContact O-N 2.97Å; A9-L12 PolarHBondContact O-N 2.92Å; A9-E13 PolarHBondContact O-N 3.23Å |
| 10 | A | 79.4 | Confident | 73.9 | Confident | 68 Ų | 68 | 81 Ų | 81 | 56% | 0.562 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.5 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T8 E13 S14 | T8-A10 VanDerWaalsContact C-N 3.26Å; T8-A10 PolarHBondContact O-N 2.91Å; A10-E13 PolarHBondContact O-N 3.35Å; A10-S14 PolarHBondContact O-N 3.22Å |
| 11 | V | 81.3 | Confident | 74.6 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | C7 T8 A9 E13 S14 I15 L95 | C7-V11 HydrophobicContact CB-CB 4.02Å; C7-V11 HydrophobicContact CB-CG1 3.85Å; T8-V11 PolarHBondContact O-N 3.36Å; T8-V11 VanDerWaalsContact O-N 3.11Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.14Å; T8-V11 PolarHBondContact OG1-N 3.01Å; A9-V11 VanDerWaalsContact C-N 3.35Å; A9-V11 PolarHBondContact O-N 2.97Å; V11-E13 VanDerWaalsContact C-N 3.33Å; V11-E13 PolarHBondContact O-N 3.13Å; V11-S14 PolarHBondContact O-N 2.91Å; V11-I15 HydrophobicContact CG1-CD1 3.86Å; V11-I15 WeakPolarHBondContact O-CD1 3.41Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 2.66Å; V11-L95 HydrophobicContact CG1-CD1 3.81Å; V11-L95 HydrophobicContact CG1-CD2 4.29Å |
| 12 | L | 84.4 | Confident | 77.5 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 41% | 0.414 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 174.5 | -69.1 | 171.7 | 0 | 0 | 0 | 112.4 | C7 T8 A9 I15 A16 | C7-L12 HydrophobicContact CB-CD2 4.04Å; C7-L12 HydrophobicContact CB-CG 3.88Å; T8-L12 PolarHBondContact O-N 3.17Å; T8-L12 VanDerWaalsContact O-N 3.11Å; A9-L12 PolarHBondContact O-N 2.92Å; L12-I15 HydrophobicContact CD2-CD1 4.45Å; L12-I15 PolarHBondContact O-N 3.05Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.99Å |
| 13 | E | 84.8 | Confident | 79.9 | Confident | 138 Ų | 138 | 65.4 Ų | 65.4 | 65% | 0.645 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 174.7 | -172.6 | 177 | -175.9 | 0 | 0 | 112.3 | A9 A10 V11 A16 T17 | A9-E13 PolarHBondContact O-N 3.23Å; A10-E13 PolarHBondContact O-N 3.35Å; V11-E13 VanDerWaalsContact C-N 3.33Å; V11-E13 PolarHBondContact O-N 3.13Å; E13-A16 PolarHBondContact O-N 3.38Å; E13-T17 WeakPolarHBondContact O-CB 3.49Å; E13-T17 PolarHBondContact O-N 3.45Å; E13-T17 PolarHBondContact O-OG1 3.2Å |
| 14 | S | 83.4 | Confident | 82.1 | Confident | 17 Ų | 17 | 62 Ų | 62 | 12% | 0.119 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 172.8 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | A10 V11 T17 S18 L171 D266 N268 | A10-S14 PolarHBondContact O-N 3.22Å; V11-S14 PolarHBondContact O-N 2.91Å; S14-T17 WeakPolarHBondContact O-CB 3.33Å; S14-T17 PolarHBondContact O-N 3.47Å; S14-S18 PolarHBondContact O-N 2.93Å; S14-L171 WeakPolarHBondContact OG-CD2 3.24Å; S14-D266 VanDerWaalsContact OG-CG 3.29Å; S14-D266 PolarHBondContact OG-OD1 3.46Å; S14-D266 PolarHBondContact OG-OD2 2.95Å; S14-N268 PolarHBondContact O-ND2 2.91Å; S14-N268 PolarHBondContact OG-ND2 3.48Å |
| 15 | I | 87 | Confident | 84 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 173.9 | -71.6 | 157.7 | 0 | 0 | 0 | 110.8 | V11 L12 T17 S18 K19 G91 L94 L95 L171 | V11-I15 HydrophobicContact CG1-CD1 3.86Å; V11-I15 WeakPolarHBondContact O-CD1 3.41Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 2.66Å; L12-I15 HydrophobicContact CD2-CD1 4.45Å; L12-I15 PolarHBondContact O-N 3.05Å; I15-T17 VanDerWaalsContact C-N 3.27Å; I15-T17 PolarHBondContact O-N 3.38Å; I15-S18 PolarHBondContact O-N 3.42Å; I15-S18 VanDerWaalsContact O-N 3.16Å; I15-S18 PolarHBondContact O-OG 2.94Å; I15-K19 PolarHBondContact O-N 3.01Å; I15-G91 WeakPolarHBondContact CD1-O 3.35Å; I15-L94 HydrophobicContact CG2-CD2 3.88Å; I15-L95 HydrophobicContact CD1-CD2 4.18Å; I15-L95 HydrophobicContact CD1-CG 4.23Å; I15-L95 HydrophobicContact CG1-CD2 4.29Å; I15-L171 HydrophobicContact CG1-CD1 3.81Å |
| 16 | A | 86.8 | Confident | 85.4 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L12 E13 K19 | L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.99Å; E13-A16 PolarHBondContact O-N 3.38Å; A16-K19 PolarHBondContact O-N 3.43Å |
| 17 | T | 87.2 | Confident | 86.5 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.1 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | E13 S14 I15 K19 Q20 Y23 N268 | E13-T17 WeakPolarHBondContact O-CB 3.49Å; E13-T17 PolarHBondContact O-N 3.45Å; E13-T17 PolarHBondContact O-OG1 3.2Å; S14-T17 WeakPolarHBondContact O-CB 3.33Å; S14-T17 PolarHBondContact O-N 3.47Å; I15-T17 VanDerWaalsContact C-N 3.27Å; I15-T17 PolarHBondContact O-N 3.38Å; T17-K19 PolarHBondContact O-N 3.33Å; T17-K19 VanDerWaalsContact O-N 3.16Å; T17-Q20 VanDerWaalsContact O-CB 3.3Å; T17-Q20 WeakPolarHBondContact O-CB 3.5Å; T17-Q20 WeakPolarHBondContact O-CG 3.39Å; T17-Q20 PolarHBondContact O-N 3.32Å; T17-Y23 HydrophobicContact CG2-CD2 4.04Å; T17-Y23 HydrophobicContact CG2-CE2 3.34Å; T17-Y23 WeakPolarHBondContact O-CD2 3.49Å; T17-N268 HydrophobicContact CG2-CB 4.46Å |
| 18 | S | 85.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -24.4 | 179.4 | 80.6 | 0 | 0 | 0 | 0 | 114.5 | S14 I15 R86 N268 | S14-S18 PolarHBondContact O-N 2.93Å; I15-S18 PolarHBondContact O-N 3.42Å; I15-S18 VanDerWaalsContact O-N 3.16Å; I15-S18 PolarHBondContact O-OG 2.94Å; S18-R86 PolarHBondContact O-NH1 3.23Å; S18-N268 WeakPolarHBondContact CA-OD1 3.39Å; S18-N268 WeakPolarHBondContact CB-OD1 3.35Å; S18-N268 PolarHBondContact N-OD1 3.05Å |
| 19 | K | 88 | Confident | 88 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.4 | 176.8 | -67.9 | -166.4 | 177.1 | -146.4 | 0 | 113.4 | I15 A16 T17 I24 R86 F89 D90 | I15-K19 PolarHBondContact O-N 3.01Å; A16-K19 PolarHBondContact O-N 3.43Å; T17-K19 PolarHBondContact O-N 3.33Å; T17-K19 VanDerWaalsContact O-N 3.16Å; K19-I24 VanDerWaalsContact O-CD1 3.25Å; K19-I24 WeakPolarHBondContact O-CD1 3.15Å; K19-R86 PolarHBondContact NZ-O 3.07Å; K19-R86 VanDerWaalsContact NZ-O 3.15Å; K19-F89 PolarHBondContact NZ-O 3.2Å; K19-D90 IonicContact NZ-OD1 2.89Å; K19-D90 PolarHBondContact NZ-OD1 2.9Å |
| 20 | Q | 91 | Very high | 88.7 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -64.9 | 146.6 | 174 | -63.8 | 175.5 | -0.7 | 0 | 0 | 110.6 | T17 S22 Y23 I24 | T17-Q20 VanDerWaalsContact O-CB 3.3Å; T17-Q20 WeakPolarHBondContact O-CB 3.5Å; T17-Q20 WeakPolarHBondContact O-CG 3.39Å; T17-Q20 PolarHBondContact O-N 3.32Å; Q20-S22 PolarHBondContact O-N 3.44Å; Q20-S22 VanDerWaalsContact O-N 3.11Å; Q20-Y23 HydrophobicContact CB-CD2 4.17Å; Q20-Y23 PolarHBondContact O-N 2.87Å; Q20-Y23 VanDerWaalsContact O-N 3.1Å; Q20-I24 PolarHBondContact O-N 3.4Å; Q20-I24 VanDerWaalsContact O-N 3.13Å |
| 21 | G | 89.1 | Confident | 89.4 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.3 | -30.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F25 | G21-F25 WeakPolarHBondContact O-CB 3.34Å; G21-F25 PolarHBondContact O-N 2.79Å |
| 22 | S | 91.4 | Very high | 90.2 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.9 | 49 | 0 | 0 | 0 | 0 | 112.9 | Q20 F25 L26 | Q20-S22 PolarHBondContact O-N 3.44Å; Q20-S22 VanDerWaalsContact O-N 3.11Å; S22-F25 PolarHBondContact O-N 3.2Å; S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 3.05Å |
| 23 | Y | 89.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.2 | -35.3 | 179.1 | -68.9 | -85.6 | 0 | 0 | 0 | 112.2 | T17 Q20 L26 E27 N268 L271 V272 | T17-Y23 HydrophobicContact CG2-CD2 4.04Å; T17-Y23 HydrophobicContact CG2-CE2 3.34Å; T17-Y23 WeakPolarHBondContact O-CD2 3.49Å; Q20-Y23 HydrophobicContact CB-CD2 4.17Å; Q20-Y23 PolarHBondContact O-N 2.87Å; Q20-Y23 VanDerWaalsContact O-N 3.1Å; Y23-L26 PolarHBondContact O-N 3.47Å; Y23-E27 PolarHBondContact O-N 3.16Å; Y23-E27 VanDerWaalsContact O-N 3.08Å; Y23-N268 HydrophobicContact CD1-CB 4.09Å; Y23-N268 HydrophobicContact CE1-CB 3.6Å; Y23-L271 HydrophobicContact CD1-CD2 4.28Å; Y23-L271 WeakPolarHBondContact O-CD2 3.38Å; Y23-V272 HydrophobicContact CD1-CG2 4.43Å; Y23-V272 HydrophobicContact CE1-CG2 3.79Å |
| 24 | I | 90.8 | Very high | 91.4 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 171.1 | -65.2 | 174.3 | 0 | 0 | 0 | 110 | K19 Q20 L26 E27 I28 L83 | K19-I24 VanDerWaalsContact O-CD1 3.25Å; K19-I24 WeakPolarHBondContact O-CD1 3.15Å; Q20-I24 PolarHBondContact O-N 3.4Å; Q20-I24 VanDerWaalsContact O-N 3.13Å; I24-L26 PolarHBondContact O-N 2.91Å; I24-E27 PolarHBondContact O-N 3Å; I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.41Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.49Å; I24-I28 PolarHBondContact O-N 3.24Å; I24-L83 HydrophobicContact CG2-CD2 4.05Å |
| 25 | F | 93.1 | Very high | 92.1 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 177.6 | 175.3 | -94.8 | 0 | 0 | 0 | 112.1 | G21 S22 E27 I28 F29 | G21-F25 WeakPolarHBondContact O-CB 3.34Å; G21-F25 PolarHBondContact O-N 2.79Å; S22-F25 PolarHBondContact O-N 3.2Å; F25-E27 VanDerWaalsContact C-N 3.34Å; F25-E27 PolarHBondContact O-N 3.04Å; F25-I28 PolarHBondContact O-N 3.24Å; F25-F29 VanDerWaalsContact O-CB 3.26Å; F25-F29 WeakPolarHBondContact O-CB 3.38Å; F25-F29 PolarHBondContact O-N 2.95Å |
| 26 | L | 92.1 | Very high | 92.6 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 177 | -79.2 | 173.4 | 0 | 0 | 0 | 112.2 | S22 Y23 I24 F29 G30 L271 V272 | S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 3.05Å; Y23-L26 PolarHBondContact O-N 3.47Å; I24-L26 PolarHBondContact O-N 2.91Å; L26-F29 PolarHBondContact O-N 3.43Å; L26-G30 PolarHBondContact O-N 3.32Å; L26-L271 HydrophobicContact CB-CD2 4.2Å; L26-L271 HydrophobicContact CB-CG 4.28Å; L26-V272 HydrophobicContact CD1-CG2 3.91Å |
| 27 | E | 91.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 177.7 | -168.3 | 71.3 | -120.1 | 0 | 0 | 111.5 | Y23 I24 F25 F29 G30 V31 Y75 G79 L83 R86 L271 | Y23-E27 PolarHBondContact O-N 3.16Å; Y23-E27 VanDerWaalsContact O-N 3.08Å; I24-E27 PolarHBondContact O-N 3Å; F25-E27 VanDerWaalsContact C-N 3.34Å; F25-E27 PolarHBondContact O-N 3.04Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 3.36Å; E27-G30 PolarHBondContact O-N 3.36Å; E27-V31 WeakPolarHBondContact O-CG2 3.39Å; E27-V31 PolarHBondContact O-N 3.19Å; E27-Y75 PolarHBondContact OE1-OH 3.04Å; E27-G79 WeakPolarHBondContact OE1-CA 3.29Å; E27-L83 HydrophobicContact CB-CD2 3.96Å; E27-L83 HydrophobicContact CB-CG 4.28Å; E27-L83 HydrophobicContact CG-CD1 4.12Å; E27-L83 HydrophobicContact CG-CD2 3.96Å; E27-L83 HydrophobicContact CG-CG 3.74Å; E27-R86 IonicContact OE2-NH2 3.83Å; E27-L271 HydrophobicContact CB-CD1 4.48Å; E27-L271 HydrophobicContact CB-CD2 4.12Å; E27-L271 WeakPolarHBondContact OE2-CD1 3.33Å |
| 28 | I | 94.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 174.9 | -70.6 | 170 | 0 | 0 | 0 | 110.3 | I24 F25 V31 L32 L83 | I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.41Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.49Å; I24-I28 PolarHBondContact O-N 3.24Å; F25-I28 PolarHBondContact O-N 3.24Å; I28-V31 PolarHBondContact O-N 2.91Å; I28-L32 HydrophobicContact CG2-CD1 3.88Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CB 3.48Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.37Å; I28-L32 PolarHBondContact O-N 3.44Å; I28-L83 HydrophobicContact CD1-CD2 4.46Å; I28-L83 HydrophobicContact CG1-CD1 3.74Å; I28-L83 HydrophobicContact CG1-CD2 3.77Å; I28-L83 HydrophobicContact CG1-CG 4.44Å |
| 29 | F | 95.6 | Very high | 94.1 | Very high | 94 Ų | 94 | 54 Ų | 54 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | -179.8 | -177.7 | -102.7 | 0 | 0 | 0 | 111.9 | F25 L26 E27 L32 M33 | F25-F29 VanDerWaalsContact O-CB 3.26Å; F25-F29 WeakPolarHBondContact O-CB 3.38Å; F25-F29 PolarHBondContact O-N 2.95Å; L26-F29 PolarHBondContact O-N 3.43Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 3.36Å; F29-L32 PolarHBondContact O-N 3.17Å; F29-M33 HydrophobicContact CD1-CE 4.35Å; F29-M33 HydrophobicContact CD1-SD 4.14Å; F29-M33 HydrophobicContact CE1-CE 3.29Å; F29-M33 HydrophobicContact CE1-CG 4.3Å; F29-M33 HydrophobicContact CE1-SD 3.57Å; F29-M33 VanDerWaalsContact CE1-SD 3.57Å; F29-M33 HydrophobicContact CE2-CE 4.23Å; F29-M33 HydrophobicContact CZ-CE 3.23Å; F29-M33 HydrophobicContact CZ-CG 4.45Å; F29-M33 HydrophobicContact CZ-SD 4.05Å; F29-M33 PolarHBondContact O-N 2.93Å |
| 30 | G | 94.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L26 E27 M33 C34 | L26-G30 PolarHBondContact O-N 3.32Å; E27-G30 PolarHBondContact O-N 3.36Å; G30-M33 PolarHBondContact O-N 3.21Å; G30-C34 PolarHBondContact O-N 3.39Å; G30-C34 VanDerWaalsContact O-N 3.09Å; G30-C34 PolarHBondContact O-SG 3.42Å; G30-C34 VanDerWaalsContact O-SG 3.37Å |
| 31 | V | 95.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | E27 I28 M33 C34 V35 Y75 L83 | E27-V31 WeakPolarHBondContact O-CG2 3.39Å; E27-V31 PolarHBondContact O-N 3.19Å; I28-V31 PolarHBondContact O-N 2.91Å; V31-M33 VanDerWaalsContact C-N 3.35Å; V31-M33 PolarHBondContact O-N 3.4Å; V31-C34 PolarHBondContact O-N 2.89Å; V31-C34 VanDerWaalsContact O-N 3.11Å; V31-V35 HydrophobicContact CG1-CG2 4.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.27Å; V31-V35 PolarHBondContact O-N 3.1Å; V31-Y75 HydrophobicContact CG2-CD1 4.4Å; V31-Y75 HydrophobicContact CG2-CE1 4.07Å; V31-L83 HydrophobicContact CG2-CD1 4.26Å |
| 32 | L | 97.4 | Very high | 95 | Very high | 80 Ų | 80 | 53 Ų | 53 | 42% | 0.419 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 178.4 | -73.5 | 175 | 0 | 0 | 0 | 111.8 | I28 F29 C34 V35 F36 | I28-L32 HydrophobicContact CG2-CD1 3.88Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CB 3.48Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.37Å; I28-L32 PolarHBondContact O-N 3.44Å; F29-L32 PolarHBondContact O-N 3.17Å; L32-C34 VanDerWaalsContact C-N 3.29Å; L32-C34 PolarHBondContact O-N 3.4Å; L32-V35 PolarHBondContact O-N 3.48Å; L32-F36 HydrophobicContact CB-CD2 4.49Å; L32-F36 HydrophobicContact CB-CE2 4.38Å; L32-F36 HydrophobicContact CD2-CE2 4.32Å; L32-F36 WeakPolarHBondContact O-CD2 3.29Å; L32-F36 PolarHBondContact O-N 3.25Å |
| 33 | M | 97.5 | Very high | 95 | Very high | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.4 | -46.7 | 173.1 | -83.4 | -171.8 | 159.2 | 0 | 0 | 111.6 | F29 G30 V31 F36 S37 P277 V278 F281 F282 | F29-M33 HydrophobicContact CD1-CE 4.35Å; F29-M33 HydrophobicContact CD1-SD 4.14Å; F29-M33 HydrophobicContact CE1-CE 3.29Å; F29-M33 HydrophobicContact CE1-CG 4.3Å; F29-M33 HydrophobicContact CE1-SD 3.57Å; F29-M33 VanDerWaalsContact CE1-SD 3.57Å; F29-M33 HydrophobicContact CE2-CE 4.23Å; F29-M33 HydrophobicContact CZ-CE 3.23Å; F29-M33 HydrophobicContact CZ-CG 4.45Å; F29-M33 HydrophobicContact CZ-SD 4.05Å; F29-M33 PolarHBondContact O-N 2.93Å; G30-M33 PolarHBondContact O-N 3.21Å; V31-M33 VanDerWaalsContact C-N 3.35Å; V31-M33 PolarHBondContact O-N 3.4Å; M33-F36 PolarHBondContact O-N 3.48Å; M33-S37 VanDerWaalsContact O-CB 3.3Å; M33-S37 WeakPolarHBondContact O-CB 3.31Å; M33-S37 PolarHBondContact O-N 3.48Å; M33-P277 HydrophobicContact CB-CB 4.46Å; M33-V278 HydrophobicContact CE-CG2 4.23Å; M33-V278 HydrophobicContact SD-CB 4.37Å; M33-V278 HydrophobicContact SD-CG2 3.87Å; M33-F281 HydrophobicContact CB-CB 3.98Å; M33-F281 HydrophobicContact CB-CD2 4.48Å; M33-F281 HydrophobicContact CB-CG 4.31Å; M33-F281 HydrophobicContact CE-CD1 4.3Å; M33-F281 HydrophobicContact CG-CB 4.16Å; M33-F281 HydrophobicContact CG-CG 4.16Å; M33-F281 WeakPolarHBondContact O-CD2 3.35Å; M33-F281 HydrophobicContact SD-CB 4.46Å; M33-F282 HydrophobicContact CE-CE2 4.13Å |
| 34 | C | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 177.7 | -67.5 | 0 | 0 | 0 | 0 | 112 | G30 V31 L32 F36 S37 V38 Y75 I76 | G30-C34 PolarHBondContact O-N 3.39Å; G30-C34 VanDerWaalsContact O-N 3.09Å; G30-C34 PolarHBondContact O-SG 3.42Å; G30-C34 VanDerWaalsContact O-SG 3.37Å; V31-C34 PolarHBondContact O-N 2.89Å; V31-C34 VanDerWaalsContact O-N 3.11Å; L32-C34 VanDerWaalsContact C-N 3.29Å; L32-C34 PolarHBondContact O-N 3.4Å; C34-F36 PolarHBondContact O-N 3.25Å; C34-S37 WeakPolarHBondContact CA-OG 3.28Å; C34-S37 PolarHBondContact O-N 2.76Å; C34-S37 PolarHBondContact O-OG 3.41Å; C34-V38 PolarHBondContact O-N 2.95Å; C34-Y75 HydrophobicContact CB-CD1 4.32Å; C34-Y75 VanDerWaalsContact SG-CD1 3.59Å; C34-I76 HydrophobicContact CB-CD1 4.12Å; C34-I76 HydrophobicContact CB-CG1 3.68Å |
| 35 | V | 97.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V31 L32 S37 P39 I76 | V31-V35 HydrophobicContact CG1-CG2 4.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.27Å; V31-V35 PolarHBondContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 3.48Å; V35-S37 VanDerWaalsContact C-N 3.34Å; V35-S37 PolarHBondContact O-N 2.89Å; V35-P39 WeakPolarHBondContact O-CD 3.23Å; V35-I76 HydrophobicContact CB-CD1 4.41Å; V35-I76 HydrophobicContact CG2-CD1 3.82Å; V35-I76 HydrophobicContact CG2-CG1 3.87Å; V35-I76 HydrophobicContact CG2-CG2 4.41Å |
| 36 | F | 97.5 | Very high | 94.8 | Very high | 119 Ų | 119 | 49.6 Ų | 49.6 | 52% | 0.522 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.4 | -26.8 | 179.7 | -69.4 | -63.8 | 0 | 0 | 0 | 113.1 | L32 M33 C34 V38 P39 L40 F281 | L32-F36 HydrophobicContact CB-CD2 4.49Å; L32-F36 HydrophobicContact CB-CE2 4.38Å; L32-F36 HydrophobicContact CD2-CE2 4.32Å; L32-F36 WeakPolarHBondContact O-CD2 3.29Å; L32-F36 PolarHBondContact O-N 3.25Å; M33-F36 PolarHBondContact O-N 3.48Å; C34-F36 PolarHBondContact O-N 3.25Å; F36-V38 VanDerWaalsContact C-N 3.28Å; F36-V38 PolarHBondContact O-N 3.4Å; F36-P39 VanDerWaalsContact O-CD 3.28Å; F36-P39 WeakPolarHBondContact O-CD 3.46Å; F36-P39 WeakPolarHBondContact O-CG 3.3Å; F36-L40 WeakPolarHBondContact O-CD1 3.48Å; F36-L40 VanDerWaalsContact O-CG 3.25Å; F36-L40 WeakPolarHBondContact O-CG 3.26Å; F36-L40 PolarHBondContact O-N 2.9Å; F36-F281 HydrophobicContact CB-CD2 4.1Å; F36-F281 HydrophobicContact CB-CE2 3.71Å |
| 37 | S | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -31.2 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | M33 C34 V35 L40 T41 S72 | M33-S37 VanDerWaalsContact O-CB 3.3Å; M33-S37 WeakPolarHBondContact O-CB 3.31Å; M33-S37 PolarHBondContact O-N 3.48Å; C34-S37 WeakPolarHBondContact CA-OG 3.28Å; C34-S37 PolarHBondContact O-N 2.76Å; C34-S37 PolarHBondContact O-OG 3.41Å; V35-S37 VanDerWaalsContact C-N 3.34Å; V35-S37 PolarHBondContact O-N 2.89Å; S37-L40 PolarHBondContact O-N 3.08Å; S37-T41 VanDerWaalsContact O-CB 3.29Å; S37-T41 WeakPolarHBondContact O-CB 3.33Å; S37-T41 PolarHBondContact O-N 3.25Å; S37-T41 PolarHBondContact O-OG1 3.22Å; S37-S72 WeakPolarHBondContact OG-CB 3.27Å; S37-S72 PolarHBondContact OG-OG 3.05Å |
| 38 | V | 97.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 48 Ų | 48 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -60 | -178.6 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | C34 F36 L40 T41 Y42 L73 I76 | C34-V38 PolarHBondContact O-N 2.95Å; F36-V38 VanDerWaalsContact C-N 3.28Å; F36-V38 PolarHBondContact O-N 3.4Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 2.94Å; V38-T41 WeakPolarHBondContact O-CB 3.49Å; V38-T41 PolarHBondContact O-N 3.06Å; V38-T41 VanDerWaalsContact O-N 3.13Å; V38-Y42 HydrophobicContact CG1-CD2 4.03Å; V38-Y42 HydrophobicContact CG1-CE2 3.81Å; V38-Y42 VanDerWaalsContact O-CD2 3.29Å; V38-Y42 WeakPolarHBondContact O-CD2 3.28Å; V38-Y42 PolarHBondContact O-N 3.31Å; V38-Y42 VanDerWaalsContact O-N 3.11Å; V38-L73 HydrophobicContact CG2-CD2 4.38Å; V38-I76 HydrophobicContact CG2-CD1 4.45Å |
| 39 | P | 97 | Very high | 93.4 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.2 | -33.8 | 178.2 | 25.1 | -34.3 | 0 | 0 | 0 | 112.6 | V35 F36 T41 Y42 Y43 | V35-P39 WeakPolarHBondContact O-CD 3.23Å; F36-P39 VanDerWaalsContact O-CD 3.28Å; F36-P39 WeakPolarHBondContact O-CD 3.46Å; F36-P39 WeakPolarHBondContact O-CG 3.3Å; P39-T41 VanDerWaalsContact C-N 3.3Å; P39-T41 PolarHBondContact O-N 2.61Å; P39-Y42 PolarHBondContact O-N 2.84Å; P39-Y43 WeakPolarHBondContact O-CB 3.46Å; P39-Y43 PolarHBondContact O-N 3.48Å |
| 40 | L | 96.2 | Very high | 92.6 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.225 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 174.5 | -71.6 | 170.7 | 0 | 0 | 0 | 112.1 | F36 S37 V38 Y43 S44 F281 P284 I285 M288 | F36-L40 WeakPolarHBondContact O-CD1 3.48Å; F36-L40 VanDerWaalsContact O-CG 3.25Å; F36-L40 WeakPolarHBondContact O-CG 3.26Å; F36-L40 PolarHBondContact O-N 2.9Å; S37-L40 PolarHBondContact O-N 3.08Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 2.94Å; L40-Y43 PolarHBondContact O-N 3.38Å; L40-S44 VanDerWaalsContact O-CB 3.3Å; L40-S44 WeakPolarHBondContact O-CB 3.36Å; L40-S44 PolarHBondContact O-N 2.79Å; L40-F281 HydrophobicContact CD1-CD2 4.07Å; L40-F281 HydrophobicContact CD1-CE2 3.75Å; L40-F281 HydrophobicContact CD1-CZ 4.41Å; L40-P284 HydrophobicContact CB-CB 4.15Å; L40-P284 HydrophobicContact CB-CG 3.85Å; L40-I285 HydrophobicContact CD1-CD1 3.9Å; L40-I285 HydrophobicContact CD1-CG1 3.93Å; L40-I285 HydrophobicContact CD2-CG1 4.31Å; L40-M288 HydrophobicContact CD2-CE 4.1Å |
| 41 | T | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | S37 V38 P39 S44 C45 H65 L68 I69 | S37-T41 VanDerWaalsContact O-CB 3.29Å; S37-T41 WeakPolarHBondContact O-CB 3.33Å; S37-T41 PolarHBondContact O-N 3.25Å; S37-T41 PolarHBondContact O-OG1 3.22Å; V38-T41 WeakPolarHBondContact O-CB 3.49Å; V38-T41 PolarHBondContact O-N 3.06Å; V38-T41 VanDerWaalsContact O-N 3.13Å; P39-T41 VanDerWaalsContact C-N 3.3Å; P39-T41 PolarHBondContact O-N 2.61Å; T41-S44 PolarHBondContact O-N 2.91Å; T41-C45 WeakPolarHBondContact O-CB 3.38Å; T41-C45 PolarHBondContact O-N 3.18Å; T41-H65 HydrophobicContact CG2-CB 3.73Å; T41-H65 VanDerWaalsContact CG2-CD2 3.48Å; T41-H65 WeakPolarHBondContact CG2-CD2 3.32Å; T41-H65 WeakPolarHBondContact CG2-O 3.27Å; T41-H65 PolarHBondContact O-CD2 3.46Å; T41-H65 VanDerWaalsContact O-CD2 3.28Å; T41-L68 HydrophobicContact CG2-CB 3.92Å; T41-L68 HydrophobicContact CG2-CD1 4.08Å; T41-I69 HydrophobicContact CG2-CD1 4.14Å; T41-I69 HydrophobicContact CG2-CG1 3.82Å |
| 42 | Y | 93.9 | Very high | 90.6 | Very high | 145 Ų | 145 | 60.1 Ų | 60.1 | 57% | 0.569 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -48.2 | 172 | -82.3 | -75.5 | 0 | 0 | 0 | 112.2 | V38 P39 S44 C45 E46 I69 | V38-Y42 HydrophobicContact CG1-CD2 4.03Å; V38-Y42 HydrophobicContact CG1-CE2 3.81Å; V38-Y42 VanDerWaalsContact O-CD2 3.29Å; V38-Y42 WeakPolarHBondContact O-CD2 3.28Å; V38-Y42 PolarHBondContact O-N 3.31Å; V38-Y42 VanDerWaalsContact O-N 3.11Å; P39-Y42 PolarHBondContact O-N 2.84Å; Y42-S44 VanDerWaalsContact C-N 3.33Å; Y42-S44 PolarHBondContact O-N 2.88Å; Y42-C45 VanDerWaalsContact O-CB 3.29Å; Y42-C45 WeakPolarHBondContact O-CB 3.47Å; Y42-C45 PolarHBondContact O-N 2.93Å; Y42-C45 VanDerWaalsContact O-N 3.14Å; Y42-E46 PolarHBondContact O-N 2.97Å; Y42-E46 VanDerWaalsContact O-N 3.08Å; Y42-I69 HydrophobicContact CD2-CD1 4.32Å; Y42-I69 HydrophobicContact CE1-CD1 4.38Å; Y42-I69 HydrophobicContact CE2-CD1 3.89Å |
| 43 | Y | 92.4 | Very high | 89.4 | Confident | 107 Ų | 107 | 57 Ų | 57 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | -180 | -176.9 | -115.1 | 0 | 0 | 0 | 112.6 | P39 L40 C45 E46 C47 M288 R292 | P39-Y43 WeakPolarHBondContact O-CB 3.46Å; P39-Y43 PolarHBondContact O-N 3.48Å; L40-Y43 PolarHBondContact O-N 3.38Å; Y43-C45 VanDerWaalsContact C-N 3.34Å; Y43-E46 PolarHBondContact O-N 3.45Å; Y43-C47 PolarHBondContact O-N 2.9Å; Y43-C47 VanDerWaalsContact O-N 3.08Å; Y43-C47 PolarHBondContact O-SG 2.85Å; Y43-M288 HydrophobicContact CD1-CE 4.15Å; Y43-M288 HydrophobicContact CD1-SD 3.15Å; Y43-M288 WeakPolarHBondContact CD1-SD 3.29Å; Y43-M288 HydrophobicContact CE1-SD 3.49Å; Y43-M288 WeakPolarHBondContact CE1-SD 3.1Å; Y43-M288 HydrophobicContact CG-SD 4.21Å; Y43-R292 PolarHBondContact OH-NH2 2.63Å |
| 44 | S | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 171.5 | 178 | 0 | 0 | 0 | 0 | 111.6 | L40 T41 Y42 E46 C47 F48 H65 | L40-S44 VanDerWaalsContact O-CB 3.3Å; L40-S44 WeakPolarHBondContact O-CB 3.36Å; L40-S44 PolarHBondContact O-N 2.79Å; T41-S44 PolarHBondContact O-N 2.91Å; Y42-S44 VanDerWaalsContact C-N 3.33Å; Y42-S44 PolarHBondContact O-N 2.88Å; S44-E46 PolarHBondContact O-N 3.45Å; S44-C47 WeakPolarHBondContact O-CB 3.49Å; S44-C47 PolarHBondContact O-N 3.21Å; S44-F48 WeakPolarHBondContact O-CD2 3.44Å; S44-F48 PolarHBondContact O-N 3.34Å; S44-H65 WeakPolarHBondContact CB-NE2 3.31Å; S44-H65 PolarHBondContact OG-NE2 3.06Å |
| 45 | C | 90.1 | Very high | 87.2 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 176.1 | -167.8 | 0 | 0 | 0 | 0 | 112 | T41 Y42 Y43 C47 F48 E49 Y62 | T41-C45 WeakPolarHBondContact O-CB 3.38Å; T41-C45 PolarHBondContact O-N 3.18Å; Y42-C45 VanDerWaalsContact O-CB 3.29Å; Y42-C45 WeakPolarHBondContact O-CB 3.47Å; Y42-C45 PolarHBondContact O-N 2.93Å; Y42-C45 VanDerWaalsContact O-N 3.14Å; Y43-C45 VanDerWaalsContact C-N 3.34Å; C45-C47 VanDerWaalsContact C-N 3.29Å; C45-C47 PolarHBondContact O-N 3.23Å; C45-F48 WeakPolarHBondContact O-CB 3.43Å; C45-F48 PolarHBondContact O-N 3.16Å; C45-F48 VanDerWaalsContact O-N 3.13Å; C45-E49 PolarHBondContact O-N 3.27Å; C45-Y62 VanDerWaalsContact SG-CD1 3.6Å; C45-Y62 WeakPolarHBondContact SG-CE1 3.47Å |
| 46 | E | 87.1 | Confident | 86.2 | Confident | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 175.9 | -71.6 | -167.4 | -168.3 | 0 | 0 | 113 | Y42 Y43 S44 F48 E49 K50 | Y42-E46 PolarHBondContact O-N 2.97Å; Y42-E46 VanDerWaalsContact O-N 3.08Å; Y43-E46 PolarHBondContact O-N 3.45Å; S44-E46 PolarHBondContact O-N 3.45Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-E49 PolarHBondContact O-N 2.89Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 2.86Å; E46-K50 IonicContact OE2-NZ 2.62Å; E46-K50 PolarHBondContact OE2-NZ 3.43Å |
| 47 | C | 84.6 | Confident | 85.4 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.7 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | Y43 S44 C45 E49 K50 E51 L291 | Y43-C47 PolarHBondContact O-N 2.9Å; Y43-C47 VanDerWaalsContact O-N 3.08Å; Y43-C47 PolarHBondContact O-SG 2.85Å; S44-C47 WeakPolarHBondContact O-CB 3.49Å; S44-C47 PolarHBondContact O-N 3.21Å; C45-C47 VanDerWaalsContact C-N 3.29Å; C45-C47 PolarHBondContact O-N 3.23Å; C47-E49 VanDerWaalsContact C-N 3.32Å; C47-E49 PolarHBondContact O-N 3.41Å; C47-K50 PolarHBondContact O-N 3.29Å; C47-E51 WeakPolarHBondContact O-CG 3.45Å; C47-E51 PolarHBondContact O-N 2.88Å; C47-L291 HydrophobicContact CB-CD1 4.24Å |
| 48 | F | 83.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 177.3 | -96.2 | -94.1 | 0 | 0 | 0 | 113.4 | S44 C45 E46 V53 K58 M61 L237 W287 L291 | S44-F48 WeakPolarHBondContact O-CD2 3.44Å; S44-F48 PolarHBondContact O-N 3.34Å; C45-F48 WeakPolarHBondContact O-CB 3.43Å; C45-F48 PolarHBondContact O-N 3.16Å; C45-F48 VanDerWaalsContact O-N 3.13Å; E46-F48 VanDerWaalsContact C-N 3.33Å; F48-V53 HydrophobicContact CD1-CG2 4.3Å; F48-V53 HydrophobicContact CE1-CG1 4.41Å; F48-V53 HydrophobicContact CE1-CG2 4.38Å; F48-K58 VanDerWaalsContact O-CE 3.22Å; F48-K58 WeakPolarHBondContact O-CE 3.27Å; F48-K58 PolarHBondContact O-NZ 3.49Å; F48-M61 HydrophobicContact CD1-CB 4.34Å; F48-M61 HydrophobicContact CD1-CG 4.11Å; F48-M61 HydrophobicContact CE1-CB 4.42Å; F48-M61 HydrophobicContact CE1-CE 4.41Å; F48-M61 HydrophobicContact CE1-CG 3.72Å; F48-M61 HydrophobicContact CE1-SD 4.46Å; F48-M61 HydrophobicContact CE2-CE 4.21Å; F48-M61 HydrophobicContact CZ-CE 4.03Å; F48-M61 HydrophobicContact CZ-CG 4.24Å; F48-M61 HydrophobicContact CZ-SD 4.43Å; F48-L237 HydrophobicContact CE1-CD2 3.71Å; F48-L237 HydrophobicContact CZ-CD1 4.21Å; F48-L237 HydrophobicContact CZ-CD2 3.84Å; F48-L237 HydrophobicContact CZ-CG 4.24Å; F48-W287 HydrophobicContact CE2-CB 3.93Å; F48-W287 HydrophobicContact CE2-CD2 4.45Å; F48-W287 HydrophobicContact CE2-CE3 4.34Å; F48-W287 HydrophobicContact CE2-CG 4.3Å; F48-W287 HydrophobicContact CZ-CD2 4.34Å; F48-W287 AromaticContact CZ-CE3 3.86Å; F48-W287 HydrophobicContact CZ-CE3 3.86Å; F48-L291 HydrophobicContact CD2-CD1 3.42Å; F48-L291 VanDerWaalsContact CD2-CD1 3.42Å; F48-L291 HydrophobicContact CD2-CG 4.49Å; F48-L291 HydrophobicContact CE1-CD1 4.46Å; F48-L291 HydrophobicContact CE2-CD1 3.31Å; F48-L291 HydrophobicContact CE2-CG 3.95Å; F48-L291 HydrophobicContact CG-CD1 4.04Å; F48-L291 HydrophobicContact CZ-CD1 3.9Å; F48-L291 HydrophobicContact CZ-CD2 4.3Å; F48-L291 HydrophobicContact CZ-CG 4.14Å |
| 49 | E | 81.1 | Confident | 84.1 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 176.9 | -83.2 | -179.3 | -177.7 | 0 | 0 | 112.5 | C45 E46 C47 E51 K58 Y62 | C45-E49 PolarHBondContact O-N 3.27Å; E46-E49 PolarHBondContact O-N 2.89Å; C47-E49 VanDerWaalsContact C-N 3.32Å; C47-E49 PolarHBondContact O-N 3.41Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 2.99Å; E49-K58 PolarHBondContact O-NZ 3.43Å; E49-Y62 HydrophobicContact CG-CE1 4.39Å; E49-Y62 WeakPolarHBondContact CG-OH 3.36Å; E49-Y62 WeakPolarHBondContact OE1-CE1 3.23Å; E49-Y62 PolarHBondContact OE1-OH 3.49Å |
| 50 | K | 78.9 | Confident | 83.5 | Confident | 155 Ų | 155 | 53.2 Ų | 53.2 | 67% | 0.674 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -72.1 | -23.6 | -174.6 | -67 | 167.8 | -173.2 | 162.1 | 0 | 113.3 | E46 C47 | E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 2.86Å; E46-K50 IonicContact OE2-NZ 2.62Å; E46-K50 PolarHBondContact OE2-NZ 3.43Å; C47-K50 PolarHBondContact O-N 3.29Å |
| 51 | E | 77.8 | Confident | 83.1 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -89.3 | 145.2 | -176 | -66.3 | -65.3 | 164.5 | 0 | 0 | 110.8 | C47 E49 V53 K58 K295 N299 | C47-E51 WeakPolarHBondContact O-CG 3.45Å; C47-E51 PolarHBondContact O-N 2.88Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 2.99Å; E51-V53 HydrophobicContact CB-CG2 4.19Å; E51-V53 PolarHBondContact O-N 2.99Å; E51-K58 WeakPolarHBondContact O-CE 3.29Å; E51-K58 PolarHBondContact O-NZ 3.28Å; E51-K295 WeakPolarHBondContact OE1-CE 3.25Å; E51-K295 IonicContact OE1-NZ 3.72Å; E51-K295 PolarHBondContact OE1-NZ 3.5Å; E51-K295 WeakPolarHBondContact OE2-CE 3.37Å; E51-K295 IonicContact OE2-NZ 2.76Å; E51-N299 VanDerWaalsContact CA-ND2 3.3Å; E51-N299 WeakPolarHBondContact CA-ND2 3.36Å; E51-N299 WeakPolarHBondContact CB-ND2 3.3Å; E51-N299 PolarHBondContact OE2-ND2 2.87Å |
| 52 | R | 69.7 | Low | 82.8 | Confident | 153 Ų | 153 | 55.4 Ų | 55.4 | 58% | 0.577 | 24% | 0.244 | S | C | * | . | trans | -77.2 | 47.6 | 178.3 | -57.6 | -179.7 | 178.4 | 176.1 | -3.1 | 113.7 | N299 P302 | R52-N299 WeakPolarHBondContact CA-OD1 3.24Å; R52-N299 WeakPolarHBondContact CB-OD1 3.31Å; R52-N299 PolarHBondContact N-ND2 3.33Å; R52-N299 PolarHBondContact N-OD1 2.96Å; R52-N299 PolarHBondContact O-OD1 3.39Å; R52-P302 VanDerWaalsContact NH1-CB 3.33Å; R52-P302 VanDerWaalsContact NH1-N 3.18Å | ||
| 53 | V | 73.6 | Confident | 82.6 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | trans | -70.3 | 148.8 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | F48 E51 M55 L57 K58 L237 L291 V298 | F48-V53 HydrophobicContact CD1-CG2 4.3Å; F48-V53 HydrophobicContact CE1-CG1 4.41Å; F48-V53 HydrophobicContact CE1-CG2 4.38Å; E51-V53 HydrophobicContact CB-CG2 4.19Å; E51-V53 PolarHBondContact O-N 2.99Å; V53-M55 PolarHBondContact O-N 3Å; V53-L57 HydrophobicContact CG1-CB 4.06Å; V53-L57 HydrophobicContact CG1-CD2 3.78Å; V53-L57 HydrophobicContact CG1-CG 4.03Å; V53-K58 HydrophobicContact CB-CG 4.07Å; V53-K58 HydrophobicContact CG1-CG 4.29Å; V53-K58 VanDerWaalsContact O-CE 3.26Å; V53-K58 WeakPolarHBondContact O-CE 3.37Å; V53-L237 HydrophobicContact CG1-CD2 4.2Å; V53-L237 HydrophobicContact CG2-CD2 4.46Å; V53-L291 HydrophobicContact CG2-CD2 4.04Å; V53-V298 HydrophobicContact CG2-CG1 4.18Å | ||
| 54 | Q | 73.6 | Confident | 82.6 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | trans | -56.7 | 136.8 | 178.5 | -55.2 | -173.4 | -64.8 | 0 | 0 | 111.6 | H56 L57 K58 E230 T234 | Q54-H56 VanDerWaalsContact C-N 3.29Å; Q54-H56 VanDerWaalsContact CB-CE1 3.41Å; Q54-H56 WeakPolarHBondContact CB-CE1 3.23Å; Q54-H56 PolarHBondContact O-N 3.34Å; Q54-H56 PolarHBondContact OE1-CE1 3.48Å; Q54-H56 PolarHBondContact OE1-NE2 3.32Å; Q54-L57 HydrophobicContact CB-CB 4.49Å; Q54-L57 PolarHBondContact O-N 3.21Å; Q54-K58 PolarHBondContact O-N 3.26Å; Q54-E230 VanDerWaalsContact NE2-CB 3.31Å; Q54-E230 PolarHBondContact NE2-OE1 2.94Å; Q54-E230 PolarHBondContact NE2-OE2 3.43Å; Q54-T234 PolarHBondContact OE1-OG1 3.47Å | ||
| 55 | M | 74.9 | Confident | 82.7 | Confident | 98 Ų | 98 | 46 Ų | 46 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.2 | -39.7 | -173.6 | -173.2 | 59.2 | 175.4 | 0 | 0 | 113 | V53 L57 K58 I59 | V53-M55 PolarHBondContact O-N 3Å; M55-L57 VanDerWaalsContact C-N 3.33Å; M55-L57 PolarHBondContact O-N 2.92Å; M55-K58 WeakPolarHBondContact O-CB 3.18Å; M55-K58 PolarHBondContact O-N 2.94Å; M55-I59 HydrophobicContact CE-CD1 4.41Å; M55-I59 HydrophobicContact CE-CG1 4.44Å; M55-I59 HydrophobicContact CG-CD1 4.32Å; M55-I59 WeakPolarHBondContact O-CG1 3.1Å; M55-I59 PolarHBondContact O-N 3.02Å |
| 56 | H | 76.6 | Confident | 82.9 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 177.8 | 60.3 | -99.5 | 0 | 0 | 0 | 112.8 | Q54 I59 L60 V141 | Q54-H56 VanDerWaalsContact C-N 3.29Å; Q54-H56 VanDerWaalsContact CB-CE1 3.41Å; Q54-H56 WeakPolarHBondContact CB-CE1 3.23Å; Q54-H56 PolarHBondContact O-N 3.34Å; Q54-H56 PolarHBondContact OE1-CE1 3.48Å; Q54-H56 PolarHBondContact OE1-NE2 3.32Å; H56-I59 PolarHBondContact O-N 3.33Å; H56-L60 PolarHBondContact O-N 2.88Å; H56-L60 VanDerWaalsContact O-N 3.16Å; H56-V141 HydrophobicContact CB-CB 4.07Å; H56-V141 HydrophobicContact CB-CG1 3.72Å; H56-V141 HydrophobicContact CB-CG2 3.52Å |
| 57 | L | 79.5 | Confident | 83.2 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -37.5 | 177 | -175.5 | 56.9 | 0 | 0 | 0 | 110.6 | V53 Q54 M55 I59 L60 M61 V122 T234 L237 I238 | V53-L57 HydrophobicContact CG1-CB 4.06Å; V53-L57 HydrophobicContact CG1-CD2 3.78Å; V53-L57 HydrophobicContact CG1-CG 4.03Å; Q54-L57 HydrophobicContact CB-CB 4.49Å; Q54-L57 PolarHBondContact O-N 3.21Å; M55-L57 VanDerWaalsContact C-N 3.33Å; M55-L57 PolarHBondContact O-N 2.92Å; L57-I59 PolarHBondContact O-N 3.21Å; L57-L60 PolarHBondContact O-N 3.08Å; L57-M61 HydrophobicContact CD1-CG 4.29Å; L57-M61 HydrophobicContact CG-CG 4.36Å; L57-M61 VanDerWaalsContact O-CB 3.29Å; L57-M61 WeakPolarHBondContact O-CB 3.45Å; L57-M61 WeakPolarHBondContact O-CG 3.37Å; L57-M61 PolarHBondContact O-N 3.37Å; L57-V122 HydrophobicContact CD1-CG2 4.4Å; L57-T234 HydrophobicContact CD2-CG2 4.19Å; L57-L237 HydrophobicContact CD2-CD2 3.77Å; L57-I238 HydrophobicContact CD1-CD1 3.6Å; L57-I238 HydrophobicContact CD1-CG1 4.35Å; L57-I238 HydrophobicContact CD2-CD1 4.19Å |
| 58 | K | 84.2 | Confident | 83.7 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 15% | 0.148 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 171.9 | -68.8 | -170.7 | 175.7 | -165.2 | 0 | 111.6 | F48 E49 E51 V53 Q54 M55 L60 M61 Y62 | F48-K58 VanDerWaalsContact O-CE 3.22Å; F48-K58 WeakPolarHBondContact O-CE 3.27Å; F48-K58 PolarHBondContact O-NZ 3.49Å; E49-K58 PolarHBondContact O-NZ 3.43Å; E51-K58 WeakPolarHBondContact O-CE 3.29Å; E51-K58 PolarHBondContact O-NZ 3.28Å; V53-K58 HydrophobicContact CB-CG 4.07Å; V53-K58 HydrophobicContact CG1-CG 4.29Å; V53-K58 VanDerWaalsContact O-CE 3.26Å; V53-K58 WeakPolarHBondContact O-CE 3.37Å; Q54-K58 PolarHBondContact O-N 3.26Å; M55-K58 WeakPolarHBondContact O-CB 3.18Å; M55-K58 PolarHBondContact O-N 2.94Å; K58-L60 PolarHBondContact O-N 3.48Å; K58-M61 WeakPolarHBondContact O-CB 3.31Å; K58-M61 PolarHBondContact O-N 2.99Å; K58-Y62 HydrophobicContact CB-CE2 4.36Å; K58-Y62 WeakPolarHBondContact O-CD2 3.48Å; K58-Y62 PolarHBondContact O-N 3.16Å |
| 59 | I | 83.5 | Confident | 84.3 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 178.2 | -67.5 | 167.3 | 0 | 0 | 0 | 110.9 | M55 H56 L57 M61 Y62 F63 R142 | M55-I59 HydrophobicContact CE-CD1 4.41Å; M55-I59 HydrophobicContact CE-CG1 4.44Å; M55-I59 HydrophobicContact CG-CD1 4.32Å; M55-I59 WeakPolarHBondContact O-CG1 3.1Å; M55-I59 PolarHBondContact O-N 3.02Å; H56-I59 PolarHBondContact O-N 3.33Å; L57-I59 PolarHBondContact O-N 3.21Å; I59-M61 VanDerWaalsContact C-N 3.29Å; I59-M61 PolarHBondContact O-N 2.75Å; I59-Y62 WeakPolarHBondContact O-CB 3.24Å; I59-Y62 PolarHBondContact O-N 2.97Å; I59-F63 HydrophobicContact CG2-CD2 4.22Å; I59-F63 HydrophobicContact CG2-CE2 3.95Å; I59-F63 VanDerWaalsContact O-CD2 3.29Å; I59-F63 WeakPolarHBondContact O-CD2 3.44Å; I59-F63 PolarHBondContact O-N 3.1Å; I59-R142 HydrophobicContact CD1-CG 4.21Å; I59-R142 HydrophobicContact CG2-CG 4.09Å |
| 60 | L | 84.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 178.4 | -70.9 | 166.3 | 0 | 0 | 0 | 111.9 | H56 L57 K58 Y62 F63 H64 F118 A121 V122 V141 A145 | H56-L60 PolarHBondContact O-N 2.88Å; H56-L60 VanDerWaalsContact O-N 3.16Å; L57-L60 PolarHBondContact O-N 3.08Å; K58-L60 PolarHBondContact O-N 3.48Å; L60-Y62 VanDerWaalsContact C-N 3.35Å; L60-Y62 PolarHBondContact O-N 2.93Å; L60-F63 PolarHBondContact O-N 3.34Å; L60-H64 PolarHBondContact O-N 2.9Å; L60-F118 HydrophobicContact CB-CD2 4.35Å; L60-F118 HydrophobicContact CB-CE2 3.83Å; L60-F118 WeakPolarHBondContact O-CE2 3.45Å; L60-A121 HydrophobicContact CD2-CB 4.32Å; L60-V122 HydrophobicContact CD1-CG2 4.29Å; L60-V141 HydrophobicContact CD1-CG1 4.13Å; L60-V141 HydrophobicContact CD2-CG1 4.46Å; L60-V141 HydrophobicContact CG-CG1 3.96Å; L60-A145 HydrophobicContact CD2-CB 3.88Å |
| 61 | M | 88.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 176.8 | -75.9 | -57.3 | -52.2 | 0 | 0 | 112.2 | F48 L57 K58 I59 H64 H65 F118 W287 | F48-M61 HydrophobicContact CD1-CB 4.34Å; F48-M61 HydrophobicContact CD1-CG 4.11Å; F48-M61 HydrophobicContact CE1-CB 4.42Å; F48-M61 HydrophobicContact CE1-CE 4.41Å; F48-M61 HydrophobicContact CE1-CG 3.72Å; F48-M61 HydrophobicContact CE1-SD 4.46Å; F48-M61 HydrophobicContact CE2-CE 4.21Å; F48-M61 HydrophobicContact CZ-CE 4.03Å; F48-M61 HydrophobicContact CZ-CG 4.24Å; F48-M61 HydrophobicContact CZ-SD 4.43Å; L57-M61 HydrophobicContact CD1-CG 4.29Å; L57-M61 HydrophobicContact CG-CG 4.36Å; L57-M61 VanDerWaalsContact O-CB 3.29Å; L57-M61 WeakPolarHBondContact O-CB 3.45Å; L57-M61 WeakPolarHBondContact O-CG 3.37Å; L57-M61 PolarHBondContact O-N 3.37Å; K58-M61 WeakPolarHBondContact O-CB 3.31Å; K58-M61 PolarHBondContact O-N 2.99Å; I59-M61 VanDerWaalsContact C-N 3.29Å; I59-M61 PolarHBondContact O-N 2.75Å; M61-H64 WeakPolarHBondContact O-CB 3.49Å; M61-H64 PolarHBondContact O-N 2.72Å; M61-H65 WeakPolarHBondContact CE-CE1 3.47Å; M61-H65 PolarHBondContact O-N 3.49Å; M61-H65 PolarHBondContact O-ND1 2.85Å; M61-F118 HydrophobicContact SD-CE1 4.44Å; M61-F118 HydrophobicContact SD-CE2 4.08Å; M61-F118 HydrophobicContact SD-CZ 3.5Å; M61-F118 VanDerWaalsContact SD-CZ 3.5Å; M61-W287 HydrophobicContact CE-CD2 3.57Å; M61-W287 VanDerWaalsContact CE-CE2 3.42Å; M61-W287 HydrophobicContact CE-CE3 4.1Å; M61-W287 HydrophobicContact CE-CG 3.96Å; M61-W287 HydrophobicContact CE-CH2 4.3Å; M61-W287 HydrophobicContact CE-CZ2 3.82Å; M61-W287 HydrophobicContact CE-CZ3 4.42Å; M61-W287 HydrophobicContact SD-CD2 4.29Å; M61-W287 HydrophobicContact SD-CE3 4.34Å; M61-W287 HydrophobicContact SD-CH2 3.78Å; M61-W287 HydrophobicContact SD-CZ2 3.73Å; M61-W287 HydrophobicContact SD-CZ3 4.09Å |
| 62 | Y | 89.3 | Confident | 86.5 | Confident | 87 Ų | 87 | 34.3 Ų | 34.3 | 34% | 0.341 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 174.6 | -79 | -71.1 | 0 | 0 | 0 | 111.8 | C45 E49 K58 I59 L60 H64 H65 I66 | C45-Y62 VanDerWaalsContact SG-CD1 3.6Å; C45-Y62 WeakPolarHBondContact SG-CE1 3.47Å; E49-Y62 HydrophobicContact CG-CE1 4.39Å; E49-Y62 WeakPolarHBondContact CG-OH 3.36Å; E49-Y62 WeakPolarHBondContact OE1-CE1 3.23Å; E49-Y62 PolarHBondContact OE1-OH 3.49Å; K58-Y62 HydrophobicContact CB-CE2 4.36Å; K58-Y62 WeakPolarHBondContact O-CD2 3.48Å; K58-Y62 PolarHBondContact O-N 3.16Å; I59-Y62 WeakPolarHBondContact O-CB 3.24Å; I59-Y62 PolarHBondContact O-N 2.97Å; L60-Y62 VanDerWaalsContact C-N 3.35Å; L60-Y62 PolarHBondContact O-N 2.93Å; Y62-H64 VanDerWaalsContact C-N 3.26Å; Y62-H64 PolarHBondContact O-N 3.12Å; Y62-H65 PolarHBondContact O-N 3.42Å; Y62-I66 WeakPolarHBondContact O-CG1 3.31Å; Y62-I66 PolarHBondContact O-N 3.49Å |
| 63 | F | 89.9 | Confident | 87.7 | Confident | 50 Ų | 50 | 31.4 Ų | 31.4 | 22% | 0.219 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 175.5 | -75.2 | -81.1 | 0 | 0 | 0 | 111.8 | I59 L60 I66 A67 F114 A145 Y146 | I59-F63 HydrophobicContact CG2-CD2 4.22Å; I59-F63 HydrophobicContact CG2-CE2 3.95Å; I59-F63 VanDerWaalsContact O-CD2 3.29Å; I59-F63 WeakPolarHBondContact O-CD2 3.44Å; I59-F63 PolarHBondContact O-N 3.1Å; L60-F63 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 3.42Å; F63-A67 PolarHBondContact O-N 3.23Å; F63-F114 HydrophobicContact CB-CE1 3.96Å; F63-F114 HydrophobicContact CB-CE2 4.4Å; F63-F114 HydrophobicContact CB-CZ 3.49Å; F63-F114 VanDerWaalsContact CB-CZ 3.49Å; F63-F114 HydrophobicContact CG-CZ 4.4Å; F63-A145 HydrophobicContact CD2-CB 3.78Å; F63-A145 HydrophobicContact CE2-CB 3.85Å; F63-A145 HydrophobicContact CG-CB 4.4Å; F63-A145 HydrophobicContact CZ-CB 4.49Å; F63-Y146 HydrophobicContact CE1-CD1 4.48Å; F63-Y146 HydrophobicContact CE1-CE1 4.24Å; F63-Y146 HydrophobicContact CZ-CD1 4.18Å; F63-Y146 AromaticContact CZ-CE1 3.73Å; F63-Y146 HydrophobicContact CZ-CE1 3.73Å |
| 64 | H | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.5 | -173.2 | 67.2 | 0 | 0 | 0 | 112.6 | L60 M61 Y62 I66 A67 L68 F115 F118 Y279 S283 W287 | L60-H64 PolarHBondContact O-N 2.9Å; M61-H64 WeakPolarHBondContact O-CB 3.49Å; M61-H64 PolarHBondContact O-N 2.72Å; Y62-H64 VanDerWaalsContact C-N 3.26Å; Y62-H64 PolarHBondContact O-N 3.12Å; H64-I66 VanDerWaalsContact C-N 3.34Å; H64-I66 PolarHBondContact O-N 3.37Å; H64-A67 PolarHBondContact O-N 2.89Å; H64-L68 WeakPolarHBondContact O-CG 3.44Å; H64-L68 PolarHBondContact O-N 3.46Å; H64-F115 AromaticContact CE1-CD1 3.62Å; H64-F115 AromaticContact ND1-CD1 3.84Å; H64-F118 HydrophobicContact CB-CD2 3.8Å; H64-F118 HydrophobicContact CB-CE2 3.76Å; H64-F118 HydrophobicContact CB-CG 4.31Å; H64-F118 HydrophobicContact CB-CZ 4.28Å; H64-F118 AromaticContact ND1-CD1 3.87Å; H64-F118 AromaticContact ND1-CG 3.82Å; H64-Y279 PolarHBondContact CE1-OH 3.4Å; H64-Y279 PolarHBondContact NE2-OH 2.8Å; H64-S283 PolarHBondContact NE2-OG 2.91Å; H64-W287 AromaticContact CD2-NE1 3.72Å; H64-W287 AromaticContact NE2-NE1 3.69Å |
| 65 | H | 94.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 176.6 | -71.5 | 90.1 | 0 | 0 | 0 | 112.2 | T41 S44 M61 Y62 L68 I69 | T41-H65 HydrophobicContact CG2-CB 3.73Å; T41-H65 VanDerWaalsContact CG2-CD2 3.48Å; T41-H65 WeakPolarHBondContact CG2-CD2 3.32Å; T41-H65 WeakPolarHBondContact CG2-O 3.27Å; T41-H65 PolarHBondContact O-CD2 3.46Å; T41-H65 VanDerWaalsContact O-CD2 3.28Å; S44-H65 WeakPolarHBondContact CB-NE2 3.31Å; S44-H65 PolarHBondContact OG-NE2 3.06Å; M61-H65 WeakPolarHBondContact CE-CE1 3.47Å; M61-H65 PolarHBondContact O-N 3.49Å; M61-H65 PolarHBondContact O-ND1 2.85Å; Y62-H65 PolarHBondContact O-N 3.42Å; H65-L68 WeakPolarHBondContact O-CB 3.42Å; H65-L68 PolarHBondContact O-N 3.49Å; H65-I69 WeakPolarHBondContact O-CG1 3.4Å; H65-I69 PolarHBondContact O-N 3.35Å |
| 66 | I | 93.3 | Very high | 90.4 | Very high | 101 Ų | 101 | 26.5 Ų | 26.5 | 52% | 0.518 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 172.7 | -68.7 | 166.8 | 0 | 0 | 0 | 110.3 | Y62 F63 H64 L68 I69 M70 | Y62-I66 WeakPolarHBondContact O-CG1 3.31Å; Y62-I66 PolarHBondContact O-N 3.49Å; F63-I66 PolarHBondContact O-N 3.42Å; H64-I66 VanDerWaalsContact C-N 3.34Å; H64-I66 PolarHBondContact O-N 3.37Å; I66-L68 VanDerWaalsContact C-N 3.31Å; I66-L68 PolarHBondContact O-N 2.91Å; I66-I69 PolarHBondContact O-N 3.45Å; I66-M70 WeakPolarHBondContact O-CB 3.18Å; I66-M70 PolarHBondContact O-N 3.18Å |
| 67 | A | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F63 H64 M70 Y71 S111 F114 F115 | F63-A67 PolarHBondContact O-N 3.23Å; H64-A67 PolarHBondContact O-N 2.89Å; A67-M70 PolarHBondContact O-N 2.98Å; A67-Y71 PolarHBondContact O-N 3.24Å; A67-S111 WeakPolarHBondContact O-CB 3.45Å; A67-S111 PolarHBondContact O-OG 2.99Å; A67-F114 HydrophobicContact CB-CB 4.24Å; A67-F114 HydrophobicContact CB-CD1 3.6Å; A67-F114 HydrophobicContact CB-CE1 4.35Å; A67-F114 HydrophobicContact CB-CG 4.1Å; A67-F115 HydrophobicContact CB-CD1 4.16Å; A67-F115 HydrophobicContact CB-CE1 3.59Å; A67-F115 HydrophobicContact CB-CZ 4.4Å |
| 68 | L | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -53.7 | 173.4 | -71.9 | 172.6 | 0 | 0 | 0 | 111 | T41 H64 H65 I66 M70 Y71 S72 F115 Y279 V280 | T41-L68 HydrophobicContact CG2-CB 3.92Å; T41-L68 HydrophobicContact CG2-CD1 4.08Å; H64-L68 WeakPolarHBondContact O-CG 3.44Å; H64-L68 PolarHBondContact O-N 3.46Å; H65-L68 WeakPolarHBondContact O-CB 3.42Å; H65-L68 PolarHBondContact O-N 3.49Å; I66-L68 VanDerWaalsContact C-N 3.31Å; I66-L68 PolarHBondContact O-N 2.91Å; L68-M70 VanDerWaalsContact C-N 3.3Å; L68-M70 PolarHBondContact O-N 2.66Å; L68-Y71 PolarHBondContact O-N 3.42Å; L68-S72 PolarHBondContact O-N 3.27Å; L68-S72 PolarHBondContact O-OG 3.45Å; L68-F115 HydrophobicContact CD2-CE1 3.77Å; L68-F115 HydrophobicContact CD2-CZ 3.78Å; L68-F115 HydrophobicContact CG-CE1 4Å; L68-F115 HydrophobicContact CG-CZ 4.35Å; L68-Y279 HydrophobicContact CD2-CE1 4.13Å; L68-V280 HydrophobicContact CB-CG1 4.49Å; L68-V280 HydrophobicContact CD2-CB 4.18Å; L68-V280 HydrophobicContact CD2-CG1 4Å; L68-V280 HydrophobicContact CD2-CG2 4Å |
| 69 | I | 96.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | 179.2 | -69.5 | 166.7 | 0 | 0 | 0 | 110.9 | T41 Y42 H65 I66 Y71 S72 L73 | T41-I69 HydrophobicContact CG2-CD1 4.14Å; T41-I69 HydrophobicContact CG2-CG1 3.82Å; Y42-I69 HydrophobicContact CD2-CD1 4.32Å; Y42-I69 HydrophobicContact CE1-CD1 4.38Å; Y42-I69 HydrophobicContact CE2-CD1 3.89Å; H65-I69 WeakPolarHBondContact O-CG1 3.4Å; H65-I69 PolarHBondContact O-N 3.35Å; I66-I69 PolarHBondContact O-N 3.45Å; I69-Y71 PolarHBondContact O-N 3.44Å; I69-S72 PolarHBondContact O-N 2.81Å; I69-L73 HydrophobicContact CG2-CD1 3.78Å; I69-L73 HydrophobicContact CG2-CG 4.15Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 2.82Å |
| 70 | M | 94.2 | Very high | 92.2 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 23% | 0.232 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | -178.9 | -173.7 | 164.8 | 67.1 | 0 | 0 | 112.5 | I66 A67 L68 S74 F107 F110 S111 | I66-M70 WeakPolarHBondContact O-CB 3.18Å; I66-M70 PolarHBondContact O-N 3.18Å; A67-M70 PolarHBondContact O-N 2.98Å; L68-M70 VanDerWaalsContact C-N 3.3Å; L68-M70 PolarHBondContact O-N 2.66Å; M70-S74 WeakPolarHBondContact O-CB 3.26Å; M70-S74 PolarHBondContact O-N 3.3Å; M70-S74 VanDerWaalsContact O-N 3.11Å; M70-S74 PolarHBondContact O-OG 2.88Å; M70-F107 HydrophobicContact CG-CB 4.17Å; M70-F107 HydrophobicContact CG-CD1 4.14Å; M70-F107 HydrophobicContact SD-CD1 3.66Å; M70-F107 HydrophobicContact SD-CE1 4.39Å; M70-F110 HydrophobicContact CE-CB 4.4Å; M70-F110 HydrophobicContact CE-CD1 2.98Å; M70-F110 HydrophobicContact CE-CE1 3.3Å; M70-F110 HydrophobicContact CE-CG 3.88Å; M70-F110 HydrophobicContact CE-CZ 4.37Å; M70-S111 WeakPolarHBondContact CE-OG 2.98Å |
| 71 | Y | 94.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 172.3 | -170.7 | -82.4 | 0 | 0 | 0 | 110.6 | A67 L68 I69 L73 S74 Y75 Q108 S111 F115 V276 P277 V280 | A67-Y71 PolarHBondContact O-N 3.24Å; L68-Y71 PolarHBondContact O-N 3.42Å; I69-Y71 PolarHBondContact O-N 3.44Å; Y71-L73 PolarHBondContact O-N 2.91Å; Y71-S74 PolarHBondContact O-N 2.91Å; Y71-S74 PolarHBondContact O-OG 3.34Å; Y71-Y75 HydrophobicContact CE1-CD2 4.05Å; Y71-Y75 HydrophobicContact CE1-CG 4.27Å; Y71-Y75 WeakPolarHBondContact O-CB 3.45Å; Y71-Y75 PolarHBondContact O-N 3Å; Y71-Q108 HydrophobicContact CD2-CB 4.27Å; Y71-Q108 HydrophobicContact CD2-CG 4.5Å; Y71-Q108 HydrophobicContact CE2-CB 4.02Å; Y71-Q108 HydrophobicContact CE2-CG 4.3Å; Y71-S111 PolarHBondContact N-OG 3.16Å; Y71-F115 HydrophobicContact CD2-CE2 4.37Å; Y71-F115 HydrophobicContact CG-CE2 4.39Å; Y71-V276 HydrophobicContact CD1-CG1 4.28Å; Y71-V276 HydrophobicContact CD2-CG1 4.02Å; Y71-V276 HydrophobicContact CE1-CB 4.23Å; Y71-V276 HydrophobicContact CE1-CG1 3.74Å; Y71-V276 HydrophobicContact CE2-CB 4.18Å; Y71-V276 HydrophobicContact CE2-CG1 3.45Å; Y71-V276 VanDerWaalsContact CE2-CG1 3.45Å; Y71-V276 HydrophobicContact CG-CG1 4.41Å; Y71-V276 WeakPolarHBondContact OH-CB 3.41Å; Y71-P277 HydrophobicContact CE1-CG 4.42Å; Y71-V280 HydrophobicContact CD1-CB 4.37Å; Y71-V280 HydrophobicContact CD1-CG1 4.48Å; Y71-V280 HydrophobicContact CD1-CG2 3.64Å; Y71-V280 HydrophobicContact CE1-CG2 4.26Å; Y71-V280 HydrophobicContact CG-CG2 4Å |
| 72 | S | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | -178.4 | -54 | 0 | 0 | 0 | 0 | 112 | S37 L68 I69 Y75 I76 V280 | S37-S72 WeakPolarHBondContact OG-CB 3.27Å; S37-S72 PolarHBondContact OG-OG 3.05Å; L68-S72 PolarHBondContact O-N 3.27Å; L68-S72 PolarHBondContact O-OG 3.45Å; I69-S72 PolarHBondContact O-N 2.81Å; S72-Y75 PolarHBondContact O-N 3.03Å; S72-I76 WeakPolarHBondContact O-CB 3.42Å; S72-I76 VanDerWaalsContact O-CD1 3.29Å; S72-I76 WeakPolarHBondContact O-CD1 3.37Å; S72-I76 WeakPolarHBondContact O-CG1 3.41Å; S72-I76 PolarHBondContact O-N 3.05Å; S72-V280 WeakPolarHBondContact OG-CG1 3.37Å |
| 73 | L | 94.7 | Very high | 92.6 | Very high | 92 Ų | 92 | 31.5 Ų | 31.5 | 48% | 0.482 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.2 | -45.8 | -179.2 | -67.8 | 178 | 0 | 0 | 0 | 111.6 | V38 I69 Y71 Y75 I76 S77 | V38-L73 HydrophobicContact CG2-CD2 4.38Å; I69-L73 HydrophobicContact CG2-CD1 3.78Å; I69-L73 HydrophobicContact CG2-CG 4.15Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 2.82Å; Y71-L73 PolarHBondContact O-N 2.91Å; L73-Y75 PolarHBondContact O-N 2.74Å; L73-I76 PolarHBondContact O-N 3.09Å; L73-S77 PolarHBondContact O-N 3.01Å; L73-S77 PolarHBondContact O-OG 3.03Å; L73-S77 VanDerWaalsContact O-OG 3.11Å |
| 74 | S | 92.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | M70 Y71 L78 Q108 | M70-S74 WeakPolarHBondContact O-CB 3.26Å; M70-S74 PolarHBondContact O-N 3.3Å; M70-S74 VanDerWaalsContact O-N 3.11Å; M70-S74 PolarHBondContact O-OG 2.88Å; Y71-S74 PolarHBondContact O-N 2.91Å; Y71-S74 PolarHBondContact O-OG 3.34Å; S74-L78 PolarHBondContact O-N 3.36Å; S74-L78 VanDerWaalsContact O-N 3.13Å; S74-Q108 WeakPolarHBondContact OG-CG 3.29Å |
| 75 | Y | 92.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.7 | -165.6 | -81.2 | 0 | 0 | 0 | 112.9 | E27 V31 C34 Y71 S72 L73 S77 L78 G79 Q108 P277 | E27-Y75 PolarHBondContact OE1-OH 3.04Å; V31-Y75 HydrophobicContact CG2-CD1 4.4Å; V31-Y75 HydrophobicContact CG2-CE1 4.07Å; C34-Y75 HydrophobicContact CB-CD1 4.32Å; C34-Y75 VanDerWaalsContact SG-CD1 3.59Å; Y71-Y75 HydrophobicContact CE1-CD2 4.05Å; Y71-Y75 HydrophobicContact CE1-CG 4.27Å; Y71-Y75 WeakPolarHBondContact O-CB 3.45Å; Y71-Y75 PolarHBondContact O-N 3Å; S72-Y75 PolarHBondContact O-N 3.03Å; L73-Y75 PolarHBondContact O-N 2.74Å; Y75-S77 VanDerWaalsContact C-N 3.33Å; Y75-S77 PolarHBondContact O-N 3.3Å; Y75-L78 PolarHBondContact O-N 3.33Å; Y75-G79 PolarHBondContact O-N 2.94Å; Y75-Q108 VanDerWaalsContact CA-NE2 3.29Å; Y75-P277 HydrophobicContact CD1-CG 4.5Å; Y75-P277 HydrophobicContact CD2-CG 4.1Å; Y75-P277 HydrophobicContact CE1-CG 4.25Å; Y75-P277 HydrophobicContact CE2-CG 3.79Å; Y75-P277 HydrophobicContact CG-CG 4.46Å |
| 76 | I | 94 | Very high | 91.9 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 18% | 0.179 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 175.8 | -69.3 | 159.7 | 0 | 0 | 0 | 110.2 | C34 V35 V38 S72 L73 T80 | C34-I76 HydrophobicContact CB-CD1 4.12Å; C34-I76 HydrophobicContact CB-CG1 3.68Å; V35-I76 HydrophobicContact CB-CD1 4.41Å; V35-I76 HydrophobicContact CG2-CD1 3.82Å; V35-I76 HydrophobicContact CG2-CG1 3.87Å; V35-I76 HydrophobicContact CG2-CG2 4.41Å; V38-I76 HydrophobicContact CG2-CD1 4.45Å; S72-I76 WeakPolarHBondContact O-CB 3.42Å; S72-I76 VanDerWaalsContact O-CD1 3.29Å; S72-I76 WeakPolarHBondContact O-CD1 3.37Å; S72-I76 WeakPolarHBondContact O-CG1 3.41Å; S72-I76 PolarHBondContact O-N 3.05Å; L73-I76 PolarHBondContact O-N 3.09Å; I76-T80 WeakPolarHBondContact O-CB 3.4Å; I76-T80 PolarHBondContact O-N 3.36Å; I76-T80 PolarHBondContact O-OG1 2.86Å |
| 77 | S | 90.9 | Very high | 91.5 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 53% | 0.531 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 179.7 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | L73 Y75 Y81 | L73-S77 PolarHBondContact O-N 3.01Å; L73-S77 PolarHBondContact O-OG 3.03Å; L73-S77 VanDerWaalsContact O-OG 3.11Å; Y75-S77 VanDerWaalsContact C-N 3.33Å; Y75-S77 PolarHBondContact O-N 3.3Å; S77-Y81 VanDerWaalsContact O-CB 3.3Å; S77-Y81 WeakPolarHBondContact O-CB 3.41Å; S77-Y81 PolarHBondContact O-N 3.27Å; S77-Y81 VanDerWaalsContact O-N 3.09Å |
| 78 | L | 89.3 | Confident | 91.1 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -49.2 | -179.9 | -76.6 | 175.8 | 0 | 0 | 0 | 112.9 | S74 Y75 T80 Y81 H82 V104 C173 | S74-L78 PolarHBondContact O-N 3.36Å; S74-L78 VanDerWaalsContact O-N 3.13Å; Y75-L78 PolarHBondContact O-N 3.33Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 3.02Å; L78-Y81 WeakPolarHBondContact O-CB 3.4Å; L78-Y81 PolarHBondContact O-N 3.25Å; L78-H82 PolarHBondContact O-CD2 3.02Å; L78-H82 PolarHBondContact O-N 3.36Å; L78-V104 HydrophobicContact CD1-CB 3.85Å; L78-V104 HydrophobicContact CD1-CG1 3.58Å; L78-V104 HydrophobicContact CD2-CB 3.96Å; L78-V104 HydrophobicContact CD2-CG1 4.07Å; L78-V104 HydrophobicContact CD2-CG2 4.26Å; L78-V104 HydrophobicContact CG-CB 3.91Å; L78-V104 HydrophobicContact CG-CG1 3.5Å; L78-C173 HydrophobicContact CD1-CB 4.2Å; L78-C173 HydrophobicContact CD2-CB 3.61Å; L78-C173 HydrophobicContact CG-CB 4.48Å |
| 79 | G | 89.9 | Confident | 90.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E27 Y75 H82 L83 | E27-G79 WeakPolarHBondContact OE1-CA 3.29Å; Y75-G79 PolarHBondContact O-N 2.94Å; G79-H82 PolarHBondContact O-N 2.71Å; G79-L83 WeakPolarHBondContact O-CB 3.47Å; G79-L83 VanDerWaalsContact O-CG 3.25Å; G79-L83 WeakPolarHBondContact O-CG 3.48Å; G79-L83 PolarHBondContact O-N 3.33Å |
| 80 | T | 91.4 | Very high | 89.9 | Confident | 55 Ų | 55 | 50 Ų | 50 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | I76 L78 H82 L83 L84 | I76-T80 WeakPolarHBondContact O-CB 3.4Å; I76-T80 PolarHBondContact O-N 3.36Å; I76-T80 PolarHBondContact O-OG1 2.86Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 3.02Å; T80-H82 PolarHBondContact O-N 3.13Å; T80-L83 PolarHBondContact O-N 3.14Å; T80-L84 HydrophobicContact CG2-CD1 3.95Å; T80-L84 HydrophobicContact CG2-CG 4.37Å; T80-L84 WeakPolarHBondContact O-CB 3.34Å; T80-L84 WeakPolarHBondContact O-CG 3.27Å; T80-L84 PolarHBondContact O-N 3.34Å |
| 81 | Y | 89.6 | Confident | 89.3 | Confident | 102 Ų | 102 | 49.1 Ų | 49.1 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.7 | 170.6 | -96.3 | 0 | 0 | 0 | 111.8 | S77 L78 L84 S85 V96 | S77-Y81 VanDerWaalsContact O-CB 3.3Å; S77-Y81 WeakPolarHBondContact O-CB 3.41Å; S77-Y81 PolarHBondContact O-N 3.27Å; S77-Y81 VanDerWaalsContact O-N 3.09Å; L78-Y81 WeakPolarHBondContact O-CB 3.4Å; L78-Y81 PolarHBondContact O-N 3.25Å; Y81-L84 PolarHBondContact O-N 3.44Å; Y81-S85 VanDerWaalsContact O-CB 3.26Å; Y81-S85 WeakPolarHBondContact O-CB 3.38Å; Y81-S85 PolarHBondContact O-N 3.1Å; Y81-S85 PolarHBondContact O-OG 2.83Å; Y81-V96 HydrophobicContact CE1-CG1 4.36Å; Y81-V96 HydrophobicContact CE1-CG2 3.69Å |
| 82 | H | 88.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.9 | -74.3 | -61.2 | 0 | 0 | 0 | 112.4 | L78 G79 T80 S85 R86 L171 C173 | L78-H82 PolarHBondContact O-CD2 3.02Å; L78-H82 PolarHBondContact O-N 3.36Å; G79-H82 PolarHBondContact O-N 2.71Å; T80-H82 PolarHBondContact O-N 3.13Å; H82-S85 PolarHBondContact O-N 2.99Å; H82-R86 VanDerWaalsContact O-CG 3.31Å; H82-R86 WeakPolarHBondContact O-CG 3.32Å; H82-R86 PolarHBondContact O-N 2.82Å; H82-L171 PolarHBondContact CE1-O 2.74Å; H82-L171 PolarHBondContact ND1-O 3.31Å; H82-C173 PolarHBondContact CE1-N 2.93Å; H82-C173 WeakPolarHBondContact NE2-CB 3.11Å; H82-C173 PolarHBondContact NE2-N 3.01Å |
| 83 | L | 90.8 | Very high | 88.1 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.5 | -76.6 | 169.3 | 0 | 0 | 0 | 112.1 | I24 E27 I28 V31 G79 T80 R86 L87 | I24-L83 HydrophobicContact CG2-CD2 4.05Å; E27-L83 HydrophobicContact CB-CD2 3.96Å; E27-L83 HydrophobicContact CB-CG 4.28Å; E27-L83 HydrophobicContact CG-CD1 4.12Å; E27-L83 HydrophobicContact CG-CD2 3.96Å; E27-L83 HydrophobicContact CG-CG 3.74Å; I28-L83 HydrophobicContact CD1-CD2 4.46Å; I28-L83 HydrophobicContact CG1-CD1 3.74Å; I28-L83 HydrophobicContact CG1-CD2 3.77Å; I28-L83 HydrophobicContact CG1-CG 4.44Å; V31-L83 HydrophobicContact CG2-CD1 4.26Å; G79-L83 WeakPolarHBondContact O-CB 3.47Å; G79-L83 VanDerWaalsContact O-CG 3.25Å; G79-L83 WeakPolarHBondContact O-CG 3.48Å; G79-L83 PolarHBondContact O-N 3.33Å; T80-L83 PolarHBondContact O-N 3.14Å; L83-R86 PolarHBondContact O-N 3.35Å; L83-L87 PolarHBondContact O-N 2.8Å |
| 84 | L | 89.2 | Confident | 87.6 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 177.4 | -69.2 | 171 | 0 | 0 | 0 | 111.2 | T80 Y81 R86 L87 V88 | T80-L84 HydrophobicContact CG2-CD1 3.95Å; T80-L84 HydrophobicContact CG2-CG 4.37Å; T80-L84 WeakPolarHBondContact O-CB 3.34Å; T80-L84 WeakPolarHBondContact O-CG 3.27Å; T80-L84 PolarHBondContact O-N 3.34Å; Y81-L84 PolarHBondContact O-N 3.44Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 2.82Å; L84-L87 WeakPolarHBondContact O-CB 3.27Å; L84-L87 PolarHBondContact O-N 3.45Å; L84-V88 WeakPolarHBondContact O-CG2 3.34Å; L84-V88 PolarHBondContact O-N 2.81Å; L84-V88 VanDerWaalsContact O-N 3.15Å |
| 85 | S | 87.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | Y81 H82 L87 V88 F89 L94 | Y81-S85 VanDerWaalsContact O-CB 3.26Å; Y81-S85 WeakPolarHBondContact O-CB 3.38Å; Y81-S85 PolarHBondContact O-N 3.1Å; Y81-S85 PolarHBondContact O-OG 2.83Å; H82-S85 PolarHBondContact O-N 2.99Å; S85-L87 PolarHBondContact O-N 3.33Å; S85-V88 PolarHBondContact O-N 3.45Å; S85-F89 PolarHBondContact O-N 3.05Å; S85-L94 VanDerWaalsContact C-CD1 3.41Å; S85-L94 WeakPolarHBondContact O-CD1 3.42Å |
| 86 | R | 86 | Confident | 86.8 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 6% | 0.06 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -26.4 | 175.3 | -74.1 | 176 | -168.2 | 164.1 | 13.2 | 113.7 | S18 K19 E27 H82 L83 L84 L94 | S18-R86 PolarHBondContact O-NH1 3.23Å; K19-R86 PolarHBondContact NZ-O 3.07Å; K19-R86 VanDerWaalsContact NZ-O 3.15Å; E27-R86 IonicContact OE2-NH2 3.83Å; H82-R86 VanDerWaalsContact O-CG 3.31Å; H82-R86 WeakPolarHBondContact O-CG 3.32Å; H82-R86 PolarHBondContact O-N 2.82Å; L83-R86 PolarHBondContact O-N 3.35Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 2.82Å; R86-L94 HydrophobicContact CB-CD1 4.36Å; R86-L94 HydrophobicContact CG-CD1 3.9Å; R86-L94 HydrophobicContact CG-CD2 4.12Å |
| 87 | L | 84.6 | Confident | 86.3 | Confident | 143 Ų | 143 | 49.9 Ų | 49.9 | 75% | 0.749 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -83.4 | -30.4 | 177.1 | -64.1 | 172.7 | 0 | 0 | 0 | 112.9 | L83 L84 S85 | L83-L87 PolarHBondContact O-N 2.8Å; L84-L87 WeakPolarHBondContact O-CB 3.27Å; L84-L87 PolarHBondContact O-N 3.45Å; S85-L87 PolarHBondContact O-N 3.33Å |
| 88 | V | 85.3 | Confident | 85.9 | Confident | 103 Ų | 103 | 46.5 Ų | 46.5 | 62% | 0.624 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -100.1 | -35.8 | -170.5 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | L84 S85 | L84-V88 WeakPolarHBondContact O-CG2 3.34Å; L84-V88 PolarHBondContact O-N 2.81Å; L84-V88 VanDerWaalsContact O-N 3.15Å; S85-V88 PolarHBondContact O-N 3.45Å |
| 89 | F | 85.6 | Confident | 85.5 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | trans | -110.8 | 146.8 | -173.3 | -56.7 | -66.3 | 0 | 0 | 0 | 111.9 | K19 S85 D93 | K19-F89 PolarHBondContact NZ-O 3.2Å; S85-F89 PolarHBondContact O-N 3.05Å; F89-D93 HydrophobicContact CB-CB 4.23Å; F89-D93 HydrophobicContact CD1-CB 4.39Å | ||
| 90 | D | 80.5 | Confident | 85.2 | Confident | 119 Ų | 119 | 55 Ų | 55 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | trans | -123.5 | 156 | 178.2 | -80.3 | -44.6 | 0 | 0 | 0 | 111.6 | K19 C92 D93 | K19-D90 IonicContact NZ-OD1 2.89Å; K19-D90 PolarHBondContact NZ-OD1 2.9Å; D90-C92 PolarHBondContact O-N 2.87Å; D90-D93 PolarHBondContact O-N 3.41Å | ||
| 91 | G | 82.6 | Confident | 84.7 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | 54.4 | -135.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I15 D93 L94 | I15-G91 WeakPolarHBondContact CD1-O 3.35Å; G91-D93 VanDerWaalsContact C-N 3.25Å; G91-D93 PolarHBondContact O-N 3.45Å; G91-L94 WeakPolarHBondContact O-CB 3.17Å; G91-L94 PolarHBondContact O-N 2.99Å |
| 92 | C | 83.3 | Confident | 84.3 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -68.2 | -21.2 | -172.8 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | P5 C7 D90 L94 L95 | P5-C92 HydrophobicContact CB-CB 4.42Å; P5-C92 HydrophobicContact CG-CB 3.93Å; P5-C92 WeakPolarHBondContact CG-O 3.3Å; P5-C92 WeakPolarHBondContact O-CB 3.34Å; P5-C92 PolarHBondContact O-SG 3.17Å; C7-C92 HydrophobicContact CB-CB 4.35Å; C7-C92 WeakPolarHBondContact CB-SG 3.23Å; C7-C92 PolarHBondContact N-SG 3.06Å; C7-C92 WeakPolarHBondContact SG-CA 3.41Å; C7-C92 WeakPolarHBondContact SG-CB 3.12Å; C7-C92 CovalentContact SG-SG 2.01Å; C7-C92 PolarHBondContact SG-SG 3.34Å; D90-C92 PolarHBondContact O-N 2.87Å; C92-L94 PolarHBondContact O-N 3.06Å; C92-L94 VanDerWaalsContact O-N 3.15Å; C92-L95 WeakPolarHBondContact O-CB 3.4Å; C92-L95 WeakPolarHBondContact O-CG 3.31Å; C92-L95 PolarHBondContact O-N 3.18Å |
| 93 | D | 81.9 | Confident | 83.8 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -69.9 | -10.6 | -179.8 | -62.3 | -24.8 | 0 | 0 | 0 | 112.3 | S4 F89 D90 G91 L95 | S4-D93 PolarHBondContact OG-OD1 3.41Å; F89-D93 HydrophobicContact CB-CB 4.23Å; F89-D93 HydrophobicContact CD1-CB 4.39Å; D90-D93 PolarHBondContact O-N 3.41Å; G91-D93 VanDerWaalsContact C-N 3.25Å; G91-D93 PolarHBondContact O-N 3.45Å; D93-L95 VanDerWaalsContact C-N 3.28Å |
| 94 | L | 83.4 | Confident | 83.2 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -73.2 | -20 | 171.4 | -169.2 | 66 | 0 | 0 | 0 | 113 | I15 S85 R86 G91 C92 L171 | I15-L94 HydrophobicContact CG2-CD2 3.88Å; S85-L94 VanDerWaalsContact C-CD1 3.41Å; S85-L94 WeakPolarHBondContact O-CD1 3.42Å; R86-L94 HydrophobicContact CB-CD1 4.36Å; R86-L94 HydrophobicContact CG-CD1 3.9Å; R86-L94 HydrophobicContact CG-CD2 4.12Å; G91-L94 WeakPolarHBondContact O-CB 3.17Å; G91-L94 PolarHBondContact O-N 2.99Å; C92-L94 PolarHBondContact O-N 3.06Å; C92-L94 VanDerWaalsContact O-N 3.15Å; L94-L171 HydrophobicContact CD2-CD1 3.95Å; L94-L171 HydrophobicContact CG-CD1 4.45Å |
| 95 | L | 84.3 | Confident | 82.7 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 133.8 | -175.8 | -58.1 | 173.3 | 0 | 0 | 0 | 110.9 | P5 V11 I15 C92 D93 H169 L171 | P5-L95 HydrophobicContact CG-CD1 4.45Å; V11-L95 HydrophobicContact CG1-CD1 3.81Å; V11-L95 HydrophobicContact CG1-CD2 4.29Å; I15-L95 HydrophobicContact CD1-CD2 4.18Å; I15-L95 HydrophobicContact CD1-CG 4.23Å; I15-L95 HydrophobicContact CG1-CD2 4.29Å; C92-L95 WeakPolarHBondContact O-CB 3.4Å; C92-L95 WeakPolarHBondContact O-CG 3.31Å; C92-L95 PolarHBondContact O-N 3.18Å; D93-L95 VanDerWaalsContact C-N 3.28Å; L95-H169 HydrophobicContact CB-CB 3.56Å; L95-H169 HydrophobicContact CD1-CB 4.3Å; L95-L171 HydrophobicContact CD2-CB 4.41Å; L95-L171 HydrophobicContact CD2-CD1 4.21Å |
| 96 | V | 84.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.8 | -176.8 | -167.3 | 0 | 0 | 0 | 0 | 110 | Y81 I100 H169 Q170 C173 | Y81-V96 HydrophobicContact CE1-CG1 4.36Å; Y81-V96 HydrophobicContact CE1-CG2 3.69Å; V96-I100 HydrophobicContact CG1-CB 4.28Å; V96-I100 HydrophobicContact CG1-CG2 4.31Å; V96-H169 CarbonylContact O-C 3.5Å; V96-H169 VanDerWaalsContact O-CA 3.24Å; V96-H169 WeakPolarHBondContact O-CA 3.24Å; V96-Q170 PolarHBondContact N-O 3.02Å; V96-Q170 PolarHBondContact O-N 2.87Å; V96-C173 VanDerWaalsContact CG1-SG 3.59Å |
| 97 | P | 83.6 | Confident | 82.6 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 138.3 | 170.8 | -28.6 | 36.8 | 0 | 0 | 0 | 112.9 | D99 I100 C101 | P97-D99 VanDerWaalsContact C-N 3.32Å; P97-D99 WeakPolarHBondContact CB-OD1 3.34Å; P97-D99 PolarHBondContact O-N 2.94Å; P97-I100 HydrophobicContact CB-CD1 4.19Å; P97-I100 HydrophobicContact CB-CG1 4.31Å; P97-I100 HydrophobicContact CG-CD1 4.13Å; P97-I100 PolarHBondContact O-N 2.93Å; P97-C101 PolarHBondContact O-N 3.49Å |
| 98 | I | 83.3 | Confident | 82.7 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | -175.6 | -66.2 | 175.7 | 0 | 0 | 0 | 112 | I100 C101 I102 D163 G168 Q170 H178 | I98-I100 PolarHBondContact O-N 3.26Å; I98-C101 WeakPolarHBondContact O-CB 3.43Å; I98-C101 PolarHBondContact O-N 3.33Å; I98-I102 HydrophobicContact CG2-CD1 4.33Å; I98-I102 HydrophobicContact CG2-CG1 4.32Å; I98-I102 WeakPolarHBondContact O-CG1 3.39Å; I98-I102 PolarHBondContact O-N 2.88Å; I98-D163 HydrophobicContact CG2-CB 3.93Å; I98-G168 WeakPolarHBondContact CG1-O 3.19Å; I98-G168 PolarHBondContact N-O 2.73Å; I98-Q170 HydrophobicContact CD1-CG 4.4Å; I98-Q170 HydrophobicContact CG1-CG 3.79Å; I98-Q170 VanDerWaalsContact CG1-NE2 3.35Å; I98-H178 HydrophobicContact CD1-CB 3.9Å |
| 99 | D | 80.9 | Confident | 82.7 | Confident | 101 Ų | 101 | 48.2 Ų | 48.2 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56 | -37.4 | 179.8 | 62.7 | -36.5 | 0 | 0 | 0 | 112.9 | P97 | P97-D99 VanDerWaalsContact C-N 3.32Å; P97-D99 WeakPolarHBondContact CB-OD1 3.34Å; P97-D99 PolarHBondContact O-N 2.94Å |
| 100 | I | 81.6 | Confident | 82.9 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 46% | 0.462 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.7 | -42 | 174.9 | -60.3 | 177.7 | 0 | 0 | 0 | 110.5 | V96 P97 I98 I102 | V96-I100 HydrophobicContact CG1-CB 4.28Å; V96-I100 HydrophobicContact CG1-CG2 4.31Å; P97-I100 HydrophobicContact CB-CD1 4.19Å; P97-I100 HydrophobicContact CB-CG1 4.31Å; P97-I100 HydrophobicContact CG-CD1 4.13Å; P97-I100 PolarHBondContact O-N 2.93Å; I98-I100 PolarHBondContact O-N 3.26Å; I100-I102 VanDerWaalsContact C-N 3.34Å; I100-I102 PolarHBondContact O-N 3.37Å |
| 101 | C | 81.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -28 | -177.2 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | P97 I98 W103 R105 C173 | P97-C101 PolarHBondContact O-N 3.49Å; I98-C101 WeakPolarHBondContact O-CB 3.43Å; I98-C101 PolarHBondContact O-N 3.33Å; C101-W103 PolarHBondContact O-N 3.07Å; C101-R105 VanDerWaalsContact O-CB 3.28Å; C101-R105 WeakPolarHBondContact O-CB 3.38Å; C101-R105 PolarHBondContact O-N 3.44Å; C101-R105 VanDerWaalsContact O-N 3.12Å; C101-C173 HydrophobicContact CB-CB 3.44Å; C101-C173 VanDerWaalsContact CB-CB 3.44Å; C101-C173 WeakPolarHBondContact CB-SG 3.3Å; C101-C173 WeakPolarHBondContact SG-CA 3.32Å; C101-C173 WeakPolarHBondContact SG-CB 3.32Å; C101-C173 CovalentContact SG-SG 2.04Å; C101-C173 PolarHBondContact SG-SG 2.9Å |
| 102 | I | 82.1 | Confident | 83.7 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.1 | -50.2 | -176.1 | -73.9 | 168.1 | 0 | 0 | 0 | 111.7 | I98 I100 V104 R105 I106 V160 D163 I164 | I98-I102 HydrophobicContact CG2-CD1 4.33Å; I98-I102 HydrophobicContact CG2-CG1 4.32Å; I98-I102 WeakPolarHBondContact O-CG1 3.39Å; I98-I102 PolarHBondContact O-N 2.88Å; I100-I102 VanDerWaalsContact C-N 3.34Å; I100-I102 PolarHBondContact O-N 3.37Å; I102-V104 VanDerWaalsContact C-N 3.33Å; I102-V104 PolarHBondContact O-N 3.26Å; I102-R105 PolarHBondContact O-N 3.04Å; I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 HydrophobicContact CG2-CG1 4.42Å; I102-I106 WeakPolarHBondContact O-CG1 3.36Å; I102-I106 PolarHBondContact O-N 3.02Å; I102-V160 HydrophobicContact CG2-CG1 3.74Å; I102-V160 HydrophobicContact CG2-CG2 4.39Å; I102-D163 HydrophobicContact CD1-CB 3.56Å; I102-D163 HydrophobicContact CG1-CB 3.63Å; I102-I164 HydrophobicContact CD1-CG1 3.83Å |
| 103 | W | 77.6 | Confident | 84 | Confident | 181 Ų | 181 | 38.4 Ų | 38.4 | 69% | 0.686 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.5 | -41.4 | -170.3 | -66.4 | 109.2 | 0 | 0 | 0 | 112.7 | C101 I106 F107 | C101-W103 PolarHBondContact O-N 3.07Å; W103-I106 HydrophobicContact CE3-CD1 4.28Å; W103-F107 WeakPolarHBondContact O-CD2 3.29Å; W103-F107 WeakPolarHBondContact O-CE2 3.43Å |
| 104 | V | 77.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -79 | -32.6 | -178.9 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | L78 I102 I106 F107 Q108 | L78-V104 HydrophobicContact CD1-CB 3.85Å; L78-V104 HydrophobicContact CD1-CG1 3.58Å; L78-V104 HydrophobicContact CD2-CB 3.96Å; L78-V104 HydrophobicContact CD2-CG1 4.07Å; L78-V104 HydrophobicContact CD2-CG2 4.26Å; L78-V104 HydrophobicContact CG-CB 3.91Å; L78-V104 HydrophobicContact CG-CG1 3.5Å; I102-V104 VanDerWaalsContact C-N 3.33Å; I102-V104 PolarHBondContact O-N 3.26Å; V104-I106 VanDerWaalsContact C-N 3.31Å; V104-I106 PolarHBondContact O-N 3.21Å; V104-F107 PolarHBondContact O-N 3.01Å; V104-Q108 PolarHBondContact O-N 3.37Å |
| 105 | R | 79.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -31.6 | 175.2 | -170.4 | 179.7 | -47.4 | 175.9 | 19.6 | 113.2 | C101 I102 F107 Q108 S109 C173 S175 H178 | C101-R105 VanDerWaalsContact O-CB 3.28Å; C101-R105 WeakPolarHBondContact O-CB 3.38Å; C101-R105 PolarHBondContact O-N 3.44Å; C101-R105 VanDerWaalsContact O-N 3.12Å; I102-R105 PolarHBondContact O-N 3.04Å; R105-F107 VanDerWaalsContact C-N 3.28Å; R105-F107 PolarHBondContact O-N 3.38Å; R105-Q108 PolarHBondContact O-N 3.45Å; R105-S109 VanDerWaalsContact O-CB 3.29Å; R105-S109 WeakPolarHBondContact O-CB 3.48Å; R105-S109 PolarHBondContact O-N 3.13Å; R105-S109 PolarHBondContact O-OG 3.4Å; R105-C173 VanDerWaalsContact CZ-O 3.23Å; R105-C173 PolarHBondContact NE-O 2.62Å; R105-C173 PolarHBondContact NH2-O 3.26Å; R105-S175 PolarHBondContact NE-O 3.34Å; R105-S175 PolarHBondContact NH1-O 3.2Å; R105-H178 PolarHBondContact NH1-CE1 3.42Å |
| 106 | I | 83.4 | Confident | 84.9 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 26% | 0.256 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 175.2 | -73.6 | 165.2 | 0 | 0 | 0 | 110.5 | I102 W103 V104 S109 F110 V160 | I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 HydrophobicContact CG2-CG1 4.42Å; I102-I106 WeakPolarHBondContact O-CG1 3.36Å; I102-I106 PolarHBondContact O-N 3.02Å; W103-I106 HydrophobicContact CE3-CD1 4.28Å; V104-I106 VanDerWaalsContact C-N 3.31Å; V104-I106 PolarHBondContact O-N 3.21Å; I106-S109 PolarHBondContact O-N 3.08Å; I106-F110 VanDerWaalsContact O-CB 3.24Å; I106-F110 WeakPolarHBondContact O-CB 3.37Å; I106-F110 PolarHBondContact O-N 3.42Å; I106-V160 HydrophobicContact CD1-CG1 4.49Å; I106-V160 HydrophobicContact CD1-CG2 4.03Å; I106-V160 HydrophobicContact CG1-CG2 3.75Å |
| 107 | F | 86.6 | Confident | 85.2 | Confident | 105 Ų | 105 | 33.5 Ų | 33.5 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 179.3 | -65.2 | -70.3 | 0 | 0 | 0 | 112.4 | M70 W103 V104 R105 S111 | M70-F107 HydrophobicContact CG-CB 4.17Å; M70-F107 HydrophobicContact CG-CD1 4.14Å; M70-F107 HydrophobicContact SD-CD1 3.66Å; M70-F107 HydrophobicContact SD-CE1 4.39Å; W103-F107 WeakPolarHBondContact O-CD2 3.29Å; W103-F107 WeakPolarHBondContact O-CE2 3.43Å; V104-F107 PolarHBondContact O-N 3.01Å; R105-F107 VanDerWaalsContact C-N 3.28Å; R105-F107 PolarHBondContact O-N 3.38Å; F107-S111 PolarHBondContact O-N 3.32Å; F107-S111 PolarHBondContact O-OG 3.46Å |
| 108 | Q | 87.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.4 | -68.3 | -178.1 | -27.5 | 0 | 0 | 111.7 | Y71 S74 Y75 V104 R105 S111 S112 | Y71-Q108 HydrophobicContact CD2-CB 4.27Å; Y71-Q108 HydrophobicContact CD2-CG 4.5Å; Y71-Q108 HydrophobicContact CE2-CB 4.02Å; Y71-Q108 HydrophobicContact CE2-CG 4.3Å; S74-Q108 WeakPolarHBondContact OG-CG 3.29Å; Y75-Q108 VanDerWaalsContact CA-NE2 3.29Å; V104-Q108 PolarHBondContact O-N 3.37Å; R105-Q108 PolarHBondContact O-N 3.45Å; Q108-S111 PolarHBondContact O-N 3.34Å; Q108-S112 VanDerWaalsContact O-CB 3.28Å; Q108-S112 WeakPolarHBondContact O-CB 3.47Å; Q108-S112 PolarHBondContact O-N 3.03Å |
| 109 | S | 85.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 12% | 0.119 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 111 | R105 I106 S111 S112 I113 | R105-S109 VanDerWaalsContact O-CB 3.29Å; R105-S109 WeakPolarHBondContact O-CB 3.48Å; R105-S109 PolarHBondContact O-N 3.13Å; R105-S109 PolarHBondContact O-OG 3.4Å; I106-S109 PolarHBondContact O-N 3.08Å; S109-S111 VanDerWaalsContact C-N 3.33Å; S109-S111 PolarHBondContact O-N 2.82Å; S109-S112 PolarHBondContact O-N 3.42Å; S109-I113 WeakPolarHBondContact O-CD1 3.28Å; S109-I113 VanDerWaalsContact O-CG1 3.29Å; S109-I113 WeakPolarHBondContact O-CG1 3.47Å; S109-I113 PolarHBondContact O-N 3.27Å |
| 110 | F | 88 | Confident | 86.1 | Confident | 36 Ų | 36 | 30 Ų | 30 | 16% | 0.158 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.8 | -52 | 174.4 | 172.3 | -76.3 | 0 | 0 | 0 | 110.4 | M70 I106 S112 I113 F114 A149 I153 | M70-F110 HydrophobicContact CE-CB 4.4Å; M70-F110 HydrophobicContact CE-CD1 2.98Å; M70-F110 HydrophobicContact CE-CE1 3.3Å; M70-F110 HydrophobicContact CE-CG 3.88Å; M70-F110 HydrophobicContact CE-CZ 4.37Å; I106-F110 VanDerWaalsContact O-CB 3.24Å; I106-F110 WeakPolarHBondContact O-CB 3.37Å; I106-F110 PolarHBondContact O-N 3.42Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.23Å; F110-I113 PolarHBondContact O-N 2.88Å; F110-F114 HydrophobicContact CE1-CB 4.3Å; F110-F114 HydrophobicContact CE1-CD2 4.45Å; F110-F114 HydrophobicContact CZ-CD2 4.42Å; F110-F114 VanDerWaalsContact O-CB 3.3Å; F110-F114 WeakPolarHBondContact O-CB 3.23Å; F110-F114 PolarHBondContact O-N 3.03Å; F110-A149 VanDerWaalsContact CE2-O 3.3Å; F110-A149 WeakPolarHBondContact CE2-O 3.34Å; F110-A149 HydrophobicContact CZ-CB 4.27Å; F110-I153 HydrophobicContact CD2-CG1 3.73Å; F110-I153 HydrophobicContact CE2-CD1 4.34Å; F110-I153 HydrophobicContact CE2-CG1 3.64Å |
| 111 | S | 91.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | -176.3 | -77.8 | 0 | 0 | 0 | 0 | 111.2 | A67 M70 Y71 F107 Q108 S109 F114 F115 | A67-S111 WeakPolarHBondContact O-CB 3.45Å; A67-S111 PolarHBondContact O-OG 2.99Å; M70-S111 WeakPolarHBondContact CE-OG 2.98Å; Y71-S111 PolarHBondContact N-OG 3.16Å; F107-S111 PolarHBondContact O-N 3.32Å; F107-S111 PolarHBondContact O-OG 3.46Å; Q108-S111 PolarHBondContact O-N 3.34Å; S109-S111 VanDerWaalsContact C-N 3.33Å; S109-S111 PolarHBondContact O-N 2.82Å; S111-F114 PolarHBondContact O-N 3.13Å; S111-F115 VanDerWaalsContact O-CD1 3.32Å; S111-F115 WeakPolarHBondContact O-CD1 3.43Å; S111-F115 VanDerWaalsContact O-CD2 3.24Å; S111-F115 WeakPolarHBondContact O-CD2 3.45Å; S111-F115 WeakPolarHBondContact O-CG 3.37Å; S111-F115 PolarHBondContact O-N 3.42Å |
| 112 | S | 89.5 | Confident | 86.7 | Confident | 10 Ų | 10 | 26 Ų | 26 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 178.6 | -177 | 0 | 0 | 0 | 0 | 112.4 | Q108 S109 F110 F114 F115 Y249 | Q108-S112 VanDerWaalsContact O-CB 3.28Å; Q108-S112 WeakPolarHBondContact O-CB 3.47Å; Q108-S112 PolarHBondContact O-N 3.03Å; S109-S112 PolarHBondContact O-N 3.42Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.23Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 3.25Å; S112-F115 PolarHBondContact O-N 2.98Å; S112-Y249 VanDerWaalsContact CA-OH 3.24Å; S112-Y249 WeakPolarHBondContact CA-OH 3.32Å; S112-Y249 WeakPolarHBondContact CB-OH 3.46Å; S112-Y249 PolarHBondContact O-OH 3.47Å; S112-Y249 VanDerWaalsContact OG-CE1 3.23Å; S112-Y249 WeakPolarHBondContact OG-CE1 3.42Å; S112-Y249 PolarHBondContact OG-OH 3.14Å |
| 113 | I | 88.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.1 | -68.4 | 158.7 | 0 | 0 | 0 | 110.6 | S109 F110 F115 Q116 L117 E155 P156 F191 | S109-I113 WeakPolarHBondContact O-CD1 3.28Å; S109-I113 VanDerWaalsContact O-CG1 3.29Å; S109-I113 WeakPolarHBondContact O-CG1 3.47Å; S109-I113 PolarHBondContact O-N 3.27Å; F110-I113 PolarHBondContact O-N 2.88Å; I113-F115 VanDerWaalsContact C-N 3.26Å; I113-F115 PolarHBondContact O-N 2.9Å; I113-Q116 PolarHBondContact O-N 3.08Å; I113-Q116 VanDerWaalsContact O-N 3.13Å; I113-L117 HydrophobicContact CG2-CD1 3.7Å; I113-L117 HydrophobicContact CG2-CG 4.11Å; I113-L117 WeakPolarHBondContact O-CG 3.5Å; I113-L117 PolarHBondContact O-N 2.87Å; I113-E155 HydrophobicContact CD1-CB 3.92Å; I113-E155 HydrophobicContact CD1-CG 4Å; I113-E155 WeakPolarHBondContact CD1-OE2 3.38Å; I113-E155 VanDerWaalsContact CG1-OE2 3.32Å; I113-E155 WeakPolarHBondContact CG1-OE2 3.47Å; I113-E155 WeakPolarHBondContact CG2-OE2 3.39Å; I113-P156 HydrophobicContact CD1-CG 3.54Å; I113-F191 HydrophobicContact CG1-CE1 3.72Å; I113-F191 HydrophobicContact CG1-CZ 3.91Å |
| 114 | F | 91.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 179.9 | -169.5 | -86.4 | 0 | 0 | 0 | 111.7 | F63 A67 F110 S111 S112 Q116 L117 F118 C148 A149 S152 | F63-F114 HydrophobicContact CB-CE1 3.96Å; F63-F114 HydrophobicContact CB-CE2 4.4Å; F63-F114 HydrophobicContact CB-CZ 3.49Å; F63-F114 VanDerWaalsContact CB-CZ 3.49Å; F63-F114 HydrophobicContact CG-CZ 4.4Å; A67-F114 HydrophobicContact CB-CB 4.24Å; A67-F114 HydrophobicContact CB-CD1 3.6Å; A67-F114 HydrophobicContact CB-CE1 4.35Å; A67-F114 HydrophobicContact CB-CG 4.1Å; F110-F114 HydrophobicContact CE1-CB 4.3Å; F110-F114 HydrophobicContact CE1-CD2 4.45Å; F110-F114 HydrophobicContact CZ-CD2 4.42Å; F110-F114 VanDerWaalsContact O-CB 3.3Å; F110-F114 WeakPolarHBondContact O-CB 3.23Å; F110-F114 PolarHBondContact O-N 3.03Å; S111-F114 PolarHBondContact O-N 3.13Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 3.25Å; F114-Q116 VanDerWaalsContact C-N 3.31Å; F114-Q116 PolarHBondContact O-N 3.44Å; F114-L117 PolarHBondContact O-N 2.92Å; F114-F118 HydrophobicContact CD1-CB 4.45Å; F114-F118 HydrophobicContact CE1-CB 4.21Å; F114-F118 WeakPolarHBondContact O-CB 3.36Å; F114-F118 PolarHBondContact O-N 3.35Å; F114-C148 HydrophobicContact CD2-CB 4.38Å; F114-C148 HydrophobicContact CE2-CB 3.98Å; F114-A149 HydrophobicContact CE2-CB 4.23Å; F114-S152 WeakPolarHBondContact CA-OG 3.44Å; F114-S152 PolarHBondContact N-OG 3.39Å |
| 115 | F | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 176.6 | -58.5 | -32.3 | 0 | 0 | 0 | 112.2 | H64 A67 L68 Y71 S111 S112 I113 Y119 Y249 V276 Y279 V280 | H64-F115 AromaticContact CE1-CD1 3.62Å; H64-F115 AromaticContact ND1-CD1 3.84Å; A67-F115 HydrophobicContact CB-CD1 4.16Å; A67-F115 HydrophobicContact CB-CE1 3.59Å; A67-F115 HydrophobicContact CB-CZ 4.4Å; L68-F115 HydrophobicContact CD2-CE1 3.77Å; L68-F115 HydrophobicContact CD2-CZ 3.78Å; L68-F115 HydrophobicContact CG-CE1 4Å; L68-F115 HydrophobicContact CG-CZ 4.35Å; Y71-F115 HydrophobicContact CD2-CE2 4.37Å; Y71-F115 HydrophobicContact CG-CE2 4.39Å; S111-F115 VanDerWaalsContact O-CD1 3.32Å; S111-F115 WeakPolarHBondContact O-CD1 3.43Å; S111-F115 VanDerWaalsContact O-CD2 3.24Å; S111-F115 WeakPolarHBondContact O-CD2 3.45Å; S111-F115 WeakPolarHBondContact O-CG 3.37Å; S111-F115 PolarHBondContact O-N 3.42Å; S112-F115 PolarHBondContact O-N 2.98Å; I113-F115 VanDerWaalsContact C-N 3.26Å; I113-F115 PolarHBondContact O-N 2.9Å; F115-Y119 WeakPolarHBondContact O-CD2 3.46Å; F115-Y119 WeakPolarHBondContact O-CE2 3.25Å; F115-Y249 WeakPolarHBondContact CD2-OH 3.3Å; F115-V276 HydrophobicContact CE2-CG1 4.39Å; F115-Y279 HydrophobicContact CB-CE1 4.04Å; F115-Y279 HydrophobicContact CD1-CE1 4.04Å; F115-Y279 AromaticContact CD2-CD1 3.87Å; F115-Y279 HydrophobicContact CD2-CD1 3.87Å; F115-Y279 AromaticContact CD2-CE1 3.57Å; F115-Y279 HydrophobicContact CD2-CE1 3.57Å; F115-Y279 HydrophobicContact CE1-CE1 4.4Å; F115-Y279 HydrophobicContact CE2-CD1 4.09Å; F115-Y279 HydrophobicContact CE2-CE1 4Å; F115-Y279 HydrophobicContact CG-CD1 4.39Å; F115-Y279 AromaticContact CG-CE1 3.62Å; F115-Y279 HydrophobicContact CG-CE1 3.62Å; F115-Y279 HydrophobicContact CZ-CE1 4.41Å; F115-V280 HydrophobicContact CE2-CG2 3.84Å; F115-V280 HydrophobicContact CZ-CG2 4.03Å |
| 116 | Q | 86.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.8 | -45.5 | 179.1 | -63.9 | 172.7 | 13.7 | 0 | 0 | 111.8 | I113 F114 F118 Y119 I120 L194 Y249 | I113-Q116 PolarHBondContact O-N 3.08Å; I113-Q116 VanDerWaalsContact O-N 3.13Å; F114-Q116 VanDerWaalsContact C-N 3.31Å; F114-Q116 PolarHBondContact O-N 3.44Å; Q116-F118 VanDerWaalsContact C-N 3.25Å; Q116-F118 PolarHBondContact O-N 2.85Å; Q116-Y119 PolarHBondContact O-N 3.46Å; Q116-I120 PolarHBondContact O-N 2.84Å; Q116-L194 HydrophobicContact CB-CB 4.28Å; Q116-L194 HydrophobicContact CB-CD1 4.36Å; Q116-Y249 VanDerWaalsContact NE2-CD1 3.26Å; Q116-Y249 VanDerWaalsContact NE2-CE1 3.29Å |
| 117 | L | 89.5 | Confident | 87 | Confident | 15 Ų | 15 | 19.6 Ų | 19.6 | 8% | 0.079 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64 | -31.8 | 177.5 | -67.6 | 178.5 | 0 | 0 | 0 | 112.5 | I113 F114 Y119 I120 A121 C148 F151 L194 | I113-L117 HydrophobicContact CG2-CD1 3.7Å; I113-L117 HydrophobicContact CG2-CG 4.11Å; I113-L117 WeakPolarHBondContact O-CG 3.5Å; I113-L117 PolarHBondContact O-N 2.87Å; F114-L117 PolarHBondContact O-N 2.92Å; L117-Y119 VanDerWaalsContact C-N 3.34Å; L117-Y119 PolarHBondContact O-N 3.48Å; L117-I120 PolarHBondContact O-N 2.88Å; L117-A121 WeakPolarHBondContact O-CB 2.99Å; L117-A121 PolarHBondContact O-N 3.29Å; L117-C148 HydrophobicContact CB-CB 4Å; L117-C148 HydrophobicContact CD1-CB 4.27Å; L117-C148 WeakPolarHBondContact CD1-O 3.19Å; L117-F151 HydrophobicContact CD1-CB 3.97Å; L117-F151 HydrophobicContact CD1-CD1 3.74Å; L117-F151 HydrophobicContact CD1-CG 4.22Å; L117-F151 HydrophobicContact CD2-CD1 4.42Å; L117-L194 HydrophobicContact CD2-CD1 4.25Å |
| 118 | F | 90.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.5 | -46.5 | 176.9 | 166.3 | -94 | 0 | 0 | 0 | 111.6 | L60 M61 H64 F114 Q116 I120 A121 V122 W287 | L60-F118 HydrophobicContact CB-CD2 4.35Å; L60-F118 HydrophobicContact CB-CE2 3.83Å; L60-F118 WeakPolarHBondContact O-CE2 3.45Å; M61-F118 HydrophobicContact SD-CE1 4.44Å; M61-F118 HydrophobicContact SD-CE2 4.08Å; M61-F118 HydrophobicContact SD-CZ 3.5Å; M61-F118 VanDerWaalsContact SD-CZ 3.5Å; H64-F118 HydrophobicContact CB-CD2 3.8Å; H64-F118 HydrophobicContact CB-CE2 3.76Å; H64-F118 HydrophobicContact CB-CG 4.31Å; H64-F118 HydrophobicContact CB-CZ 4.28Å; H64-F118 AromaticContact ND1-CD1 3.87Å; H64-F118 AromaticContact ND1-CG 3.82Å; F114-F118 HydrophobicContact CD1-CB 4.45Å; F114-F118 HydrophobicContact CE1-CB 4.21Å; F114-F118 WeakPolarHBondContact O-CB 3.36Å; F114-F118 PolarHBondContact O-N 3.35Å; Q116-F118 VanDerWaalsContact C-N 3.25Å; Q116-F118 PolarHBondContact O-N 2.85Å; F118-I120 PolarHBondContact O-N 3.41Å; F118-A121 WeakPolarHBondContact O-CB 3.26Å; F118-A121 PolarHBondContact O-N 3.06Å; F118-V122 HydrophobicContact CE1-CG2 4.02Å; F118-V122 HydrophobicContact CE2-CG2 4.07Å; F118-V122 HydrophobicContact CZ-CG2 3.77Å; F118-V122 WeakPolarHBondContact O-CG2 3.11Å; F118-V122 PolarHBondContact O-N 3.5Å; F118-W287 HydrophobicContact CE1-CH2 4.35Å; F118-W287 HydrophobicContact CE1-CZ2 4.13Å; F118-W287 HydrophobicContact CZ-CZ2 4.4Å |
| 119 | Y | 89.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.2 | -34.9 | 179.7 | -65.2 | -71 | 0 | 0 | 0 | 112.4 | F115 Q116 L117 V122 V123 I238 N241 L242 N245 Y279 | F115-Y119 WeakPolarHBondContact O-CD2 3.46Å; F115-Y119 WeakPolarHBondContact O-CE2 3.25Å; Q116-Y119 PolarHBondContact O-N 3.46Å; L117-Y119 VanDerWaalsContact C-N 3.34Å; L117-Y119 PolarHBondContact O-N 3.48Å; Y119-V122 PolarHBondContact O-N 3.41Å; Y119-V123 WeakPolarHBondContact O-CB 3.34Å; Y119-V123 VanDerWaalsContact O-CG2 3.27Å; Y119-V123 WeakPolarHBondContact O-CG2 3.36Å; Y119-V123 PolarHBondContact O-N 3.1Å; Y119-I238 HydrophobicContact CD1-CG2 3.79Å; Y119-I238 HydrophobicContact CE1-CG2 3.96Å; Y119-N241 HydrophobicContact CE1-CB 4.42Å; Y119-N241 VanDerWaalsContact OH-C 3.3Å; Y119-N241 PolarHBondContact OH-O 3.4Å; Y119-N241 VanDerWaalsContact OH-O 3.09Å; Y119-L242 HydrophobicContact CD1-CB 3.83Å; Y119-L242 HydrophobicContact CD1-CD1 3.85Å; Y119-L242 HydrophobicContact CD1-CG 4.37Å; Y119-L242 HydrophobicContact CD2-CD1 4.09Å; Y119-L242 HydrophobicContact CE1-CB 3.83Å; Y119-L242 HydrophobicContact CE1-CD1 4.45Å; Y119-L242 HydrophobicContact CG-CB 4.49Å; Y119-L242 HydrophobicContact CG-CD1 3.66Å; Y119-N245 HydrophobicContact CD2-CB 4.25Å; Y119-N245 HydrophobicContact CE2-CB 3.49Å; Y119-N245 VanDerWaalsContact CE2-CB 3.49Å; Y119-N245 VanDerWaalsContact CE2-CG 3.48Å; Y119-Y279 PolarHBondContact OH-OH 3.4Å |
| 120 | I | 87.6 | Confident | 85.1 | Confident | 53 Ų | 53 | 20 Ų | 20 | 27% | 0.272 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 171.7 | -65.9 | 174.7 | 0 | 0 | 0 | 110.6 | Q116 L117 F118 V122 V123 L124 L194 | Q116-I120 PolarHBondContact O-N 2.84Å; L117-I120 PolarHBondContact O-N 2.88Å; F118-I120 PolarHBondContact O-N 3.41Å; I120-V122 VanDerWaalsContact C-N 3.31Å; I120-V122 PolarHBondContact O-N 2.91Å; I120-V123 PolarHBondContact O-N 3.37Å; I120-L124 WeakPolarHBondContact O-CB 3.17Å; I120-L124 PolarHBondContact O-N 3.33Å; I120-L194 HydrophobicContact CD1-CB 3.75Å; I120-L194 HydrophobicContact CD1-CD2 3.41Å; I120-L194 VanDerWaalsContact CD1-CD2 3.41Å; I120-L194 HydrophobicContact CD1-CG 4.1Å |
| 121 | A | 87.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L60 L117 F118 N125 V144 | L60-A121 HydrophobicContact CD2-CB 4.32Å; L117-A121 WeakPolarHBondContact O-CB 2.99Å; L117-A121 PolarHBondContact O-N 3.29Å; F118-A121 WeakPolarHBondContact O-CB 3.26Å; F118-A121 PolarHBondContact O-N 3.06Å; A121-N125 WeakPolarHBondContact O-CB 3.16Å; A121-N125 PolarHBondContact O-N 2.81Å; A121-N125 PolarHBondContact O-ND2 2.9Å; A121-V144 HydrophobicContact CB-CG1 3.57Å |
| 122 | V | 86.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 173.2 | 161.9 | 0 | 0 | 0 | 0 | 110.8 | L57 L60 F118 Y119 I120 L124 N125 T126 I238 | L57-V122 HydrophobicContact CD1-CG2 4.4Å; L60-V122 HydrophobicContact CD1-CG2 4.29Å; F118-V122 HydrophobicContact CE1-CG2 4.02Å; F118-V122 HydrophobicContact CE2-CG2 4.07Å; F118-V122 HydrophobicContact CZ-CG2 3.77Å; F118-V122 WeakPolarHBondContact O-CG2 3.11Å; F118-V122 PolarHBondContact O-N 3.5Å; Y119-V122 PolarHBondContact O-N 3.41Å; I120-V122 VanDerWaalsContact C-N 3.31Å; I120-V122 PolarHBondContact O-N 2.91Å; V122-L124 VanDerWaalsContact C-N 3.32Å; V122-L124 PolarHBondContact O-N 2.94Å; V122-N125 PolarHBondContact O-N 3.43Å; V122-T126 VanDerWaalsContact O-CB 3.29Å; V122-T126 WeakPolarHBondContact O-CB 3.4Å; V122-T126 PolarHBondContact O-N 3.45Å; V122-T126 PolarHBondContact O-OG1 3.22Å; V122-I238 HydrophobicContact CB-CD1 4.19Å; V122-I238 HydrophobicContact CG1-CD1 3.14Å; V122-I238 HydrophobicContact CG1-CG1 4.25Å; V122-I238 HydrophobicContact CG1-CG2 4.14Å; V122-I238 HydrophobicContact CG2-CD1 3.98Å |
| 123 | V | 85.3 | Confident | 81.6 | Confident | 15 Ų | 15 | 36 Ų | 36 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | -177.8 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | Y119 I120 T126 F127 F202 | Y119-V123 WeakPolarHBondContact O-CB 3.34Å; Y119-V123 VanDerWaalsContact O-CG2 3.27Å; Y119-V123 WeakPolarHBondContact O-CG2 3.36Å; Y119-V123 PolarHBondContact O-N 3.1Å; I120-V123 PolarHBondContact O-N 3.37Å; V123-T126 VanDerWaalsContact O-CB 3.31Å; V123-T126 WeakPolarHBondContact O-CB 3.35Å; V123-T126 PolarHBondContact O-N 3.39Å; V123-F127 HydrophobicContact CG1-CD2 3.65Å; V123-F127 HydrophobicContact CG1-CE2 3.49Å; V123-F127 VanDerWaalsContact CG1-CE2 3.49Å; V123-F127 WeakPolarHBondContact O-CD2 3.07Å; V123-F127 PolarHBondContact O-N 2.94Å; V123-F202 HydrophobicContact CG2-CB 4.23Å; V123-F202 HydrophobicContact CG2-CD2 4.48Å |
| 124 | L | 83.7 | Confident | 80.1 | Confident | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.9 | -173.8 | 68.9 | 0 | 0 | 0 | 111.5 | I120 V122 T126 F127 M128 | I120-L124 WeakPolarHBondContact O-CB 3.17Å; I120-L124 PolarHBondContact O-N 3.33Å; V122-L124 VanDerWaalsContact C-N 3.32Å; V122-L124 PolarHBondContact O-N 2.94Å; L124-T126 PolarHBondContact O-N 3.47Å; L124-F127 PolarHBondContact O-N 3.3Å; L124-M128 HydrophobicContact CD1-CE 3.8Å; L124-M128 HydrophobicContact CD1-CG 4.48Å; L124-M128 HydrophobicContact CG-CE 4.44Å; L124-M128 HydrophobicContact CG-CG 4.38Å; L124-M128 WeakPolarHBondContact O-CB 3.47Å; L124-M128 VanDerWaalsContact O-CG 3.23Å; L124-M128 WeakPolarHBondContact O-CG 3.49Å; L124-M128 PolarHBondContact O-N 3.16Å |
| 125 | N | 80.9 | Confident | 78.4 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 176.7 | -81.4 | -55.8 | 0 | 0 | 0 | 111.8 | A121 V122 M128 A129 | A121-N125 WeakPolarHBondContact O-CB 3.16Å; A121-N125 PolarHBondContact O-N 2.81Å; A121-N125 PolarHBondContact O-ND2 2.9Å; V122-N125 PolarHBondContact O-N 3.43Å; N125-M128 PolarHBondContact O-N 3.05Å; N125-A129 VanDerWaalsContact O-CB 3.24Å; N125-A129 WeakPolarHBondContact O-CB 3.48Å; N125-A129 PolarHBondContact O-N 2.78Å |
| 126 | T | 78.5 | Confident | 76.8 | Confident | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | V122 V123 L124 K130 A205 L231 | V122-T126 VanDerWaalsContact O-CB 3.29Å; V122-T126 WeakPolarHBondContact O-CB 3.4Å; V122-T126 PolarHBondContact O-N 3.45Å; V122-T126 PolarHBondContact O-OG1 3.22Å; V123-T126 VanDerWaalsContact O-CB 3.31Å; V123-T126 WeakPolarHBondContact O-CB 3.35Å; V123-T126 PolarHBondContact O-N 3.39Å; L124-T126 PolarHBondContact O-N 3.47Å; T126-K130 WeakPolarHBondContact O-CB 3.28Å; T126-K130 PolarHBondContact O-N 3.49Å; T126-K130 VanDerWaalsContact O-N 3.16Å; T126-A205 HydrophobicContact CG2-CB 4.42Å; T126-L231 HydrophobicContact CG2-CD1 2.99Å; T126-L231 HydrophobicContact CG2-CG 4.49Å |
| 127 | F | 79.6 | Confident | 75.8 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 176 | -81.8 | -65.2 | 0 | 0 | 0 | 112.9 | V123 L124 A129 K130 F131 G201 I204 A205 L208 | V123-F127 HydrophobicContact CG1-CD2 3.65Å; V123-F127 HydrophobicContact CG1-CE2 3.49Å; V123-F127 VanDerWaalsContact CG1-CE2 3.49Å; V123-F127 WeakPolarHBondContact O-CD2 3.07Å; V123-F127 PolarHBondContact O-N 2.94Å; L124-F127 PolarHBondContact O-N 3.3Å; F127-A129 VanDerWaalsContact C-N 3.32Å; F127-A129 PolarHBondContact O-N 2.93Å; F127-K130 PolarHBondContact O-N 3.09Å; F127-K130 VanDerWaalsContact O-N 3.16Å; F127-F131 HydrophobicContact CD1-CD2 4.35Å; F127-F131 AromaticContact CD1-CE2 3.77Å; F127-F131 HydrophobicContact CD1-CE2 3.77Å; F127-F131 HydrophobicContact CE1-CE2 4.44Å; F127-F131 VanDerWaalsContact O-CD2 3.3Å; F127-F131 WeakPolarHBondContact O-CD2 3.36Å; F127-F131 PolarHBondContact O-N 3.32Å; F127-G201 WeakPolarHBondContact CE2-O 3.28Å; F127-G201 VanDerWaalsContact CZ-O 3.31Å; F127-G201 WeakPolarHBondContact CZ-O 3.26Å; F127-I204 HydrophobicContact CE1-CG2 3.96Å; F127-I204 HydrophobicContact CZ-CB 3.99Å; F127-I204 HydrophobicContact CZ-CG2 3.72Å; F127-A205 HydrophobicContact CE1-CB 4.41Å; F127-A205 HydrophobicContact CE2-CB 4.48Å; F127-A205 HydrophobicContact CZ-CB 4.09Å; F127-L208 HydrophobicContact CE1-CD1 3.95Å |
| 128 | M | 76.9 | Confident | 74.8 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 179.8 | -68.9 | -64.1 | 178.3 | 0 | 0 | 111.6 | L124 N125 K130 Q132 F133 F140 | L124-M128 HydrophobicContact CD1-CE 3.8Å; L124-M128 HydrophobicContact CD1-CG 4.48Å; L124-M128 HydrophobicContact CG-CE 4.44Å; L124-M128 HydrophobicContact CG-CG 4.38Å; L124-M128 WeakPolarHBondContact O-CB 3.47Å; L124-M128 VanDerWaalsContact O-CG 3.23Å; L124-M128 WeakPolarHBondContact O-CG 3.49Å; L124-M128 PolarHBondContact O-N 3.16Å; N125-M128 PolarHBondContact O-N 3.05Å; M128-K130 VanDerWaalsContact C-N 3.35Å; M128-Q132 PolarHBondContact O-N 3.02Å; M128-F133 HydrophobicContact SD-CB 3.86Å; M128-F133 HydrophobicContact SD-CD2 4.19Å; M128-F133 HydrophobicContact SD-CG 4.3Å; M128-F140 HydrophobicContact CG-CE1 4.36Å; M128-F140 HydrophobicContact CG-CZ 4.45Å |
| 129 | A | 70.8 | Confident | 74.1 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N125 F127 | N125-A129 VanDerWaalsContact O-CB 3.24Å; N125-A129 WeakPolarHBondContact O-CB 3.48Å; N125-A129 PolarHBondContact O-N 2.78Å; F127-A129 VanDerWaalsContact C-N 3.32Å; F127-A129 PolarHBondContact O-N 2.93Å |
| 130 | K | 71.3 | Confident | 73.5 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.1 | -46.8 | 180 | -170.9 | -179 | 178.3 | 83.8 | 0 | 112.7 | T126 F127 M128 Q132 D212 E228 L231 | T126-K130 WeakPolarHBondContact O-CB 3.28Å; T126-K130 PolarHBondContact O-N 3.49Å; T126-K130 VanDerWaalsContact O-N 3.16Å; F127-K130 PolarHBondContact O-N 3.09Å; F127-K130 VanDerWaalsContact O-N 3.16Å; M128-K130 VanDerWaalsContact C-N 3.35Å; K130-Q132 VanDerWaalsContact C-N 3.3Å; K130-Q132 PolarHBondContact O-N 3.45Å; K130-D212 WeakPolarHBondContact CE-OD2 3.48Å; K130-D212 IonicContact NZ-OD2 3.83Å; K130-D212 PolarHBondContact NZ-OD2 3.26Å; K130-E228 IonicContact NZ-OE1 2.66Å; K130-E228 PolarHBondContact NZ-OE1 3.14Å; K130-E228 IonicContact NZ-OE2 3.01Å; K130-E228 PolarHBondContact NZ-OE2 2.67Å; K130-L231 HydrophobicContact CD-CD2 3.97Å; K130-L231 HydrophobicContact CG-CD2 4.43Å |
| 131 | F | 71.4 | Confident | 72.9 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -85.1 | 0.8 | -175.6 | -70.9 | -66.2 | 0 | 0 | 0 | 114.4 | F127 F133 L208 | F127-F131 HydrophobicContact CD1-CD2 4.35Å; F127-F131 AromaticContact CD1-CE2 3.77Å; F127-F131 HydrophobicContact CD1-CE2 3.77Å; F127-F131 HydrophobicContact CE1-CE2 4.44Å; F127-F131 VanDerWaalsContact O-CD2 3.3Å; F127-F131 WeakPolarHBondContact O-CD2 3.36Å; F127-F131 PolarHBondContact O-N 3.32Å; F131-F133 HydrophobicContact CB-CD2 3.43Å; F131-F133 VanDerWaalsContact CB-CD2 3.43Å; F131-F133 HydrophobicContact CB-CE2 3.6Å; F131-F133 HydrophobicContact CB-CG 4.46Å; F131-F133 HydrophobicContact CD2-CE2 4.41Å; F131-F133 HydrophobicContact CG-CD2 4.34Å; F131-F133 HydrophobicContact CG-CE2 4.1Å; F131-F133 PolarHBondContact O-N 3.46Å; F131-L208 HydrophobicContact CZ-CD1 4.22Å |
| 132 | Q | 67.3 | Low | 72.4 | Confident | 123 Ų | 123 | 76.9 Ų | 76.9 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 24.5 | -176.9 | -51.3 | -169.2 | -88.2 | 0 | 0 | 114.2 | M128 K130 W134 R227 | M128-Q132 PolarHBondContact O-N 3.02Å; K130-Q132 VanDerWaalsContact C-N 3.3Å; K130-Q132 PolarHBondContact O-N 3.45Å; Q132-W134 PolarHBondContact O-N 3.17Å; Q132-R227 VanDerWaalsContact CG-NH1 3.31Å |
| 133 | F | 58.4 | Low | 72.1 | Confident | 147 Ų | 147 | 78.4 Ų | 78.4 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -54.4 | -30.9 | 176.4 | -86.9 | -70.7 | 0 | 0 | 0 | 110.9 | M128 F131 | M128-F133 HydrophobicContact SD-CB 3.86Å; M128-F133 HydrophobicContact SD-CD2 4.19Å; M128-F133 HydrophobicContact SD-CG 4.3Å; F131-F133 HydrophobicContact CB-CD2 3.43Å; F131-F133 VanDerWaalsContact CB-CD2 3.43Å; F131-F133 HydrophobicContact CB-CE2 3.6Å; F131-F133 HydrophobicContact CB-CG 4.46Å; F131-F133 HydrophobicContact CD2-CE2 4.41Å; F131-F133 HydrophobicContact CG-CD2 4.34Å; F131-F133 HydrophobicContact CG-CE2 4.1Å; F131-F133 PolarHBondContact O-N 3.46Å |
| 134 | W | 56.9 | Low | 71.9 | Confident | 151 Ų | 151 | 78.4 Ų | 78.4 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -137.6 | 131.2 | 174.9 | -54.6 | 76.1 | 0 | 0 | 0 | 107.8 | Q132 S136 | Q132-W134 PolarHBondContact O-N 3.17Å; W134-S136 PolarHBondContact O-N 3.04Å |
| 135 | R | 55.5 | Low | 71.6 | Confident | 239 Ų | 239 | 75.1 Ų | 75.1 | 90% | 0.902 | 36% | 0.364 | S | S | * | . | trans | -55.3 | 125.5 | 164.1 | -95.6 | -179.5 | 175.8 | 166.4 | -1 | 106.5 | N137 | R135-N137 WeakPolarHBondContact O-CB 3.46Å; R135-N137 PolarHBondContact O-N 3.38Å | ||
| 136 | S | 57.7 | Low | 71.6 | Confident | 101 Ų | 101 | 81 Ų | 81 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | trans | -34.9 | 93.5 | 179.6 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | W134 | W134-S136 PolarHBondContact O-N 3.04Š| ||
| 137 | N | 66.4 | Low | 72 | Confident | 77 Ų | 77 | 86.5 Ų | 86.5 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | trans | -108.2 | 116.8 | -176.3 | -172.6 | -13.1 | 0 | 0 | 0 | 107.5 | R135 N139 F140 V141 | R135-N137 WeakPolarHBondContact O-CB 3.46Å; R135-N137 PolarHBondContact O-N 3.38Å; N137-N139 PolarHBondContact O-N 3.24Å; N137-N139 WeakPolarHBondContact OD1-CB 3.1Å; N137-N139 PolarHBondContact OD1-N 3.06Å; N137-F140 HydrophobicContact CB-CB 4.36Å; N137-F140 WeakPolarHBondContact O-CB 3.18Å; N137-F140 PolarHBondContact O-N 3.34Å; N137-V141 PolarHBondContact O-N 2.96Å | ||
| 138 | E | 68.3 | Low | 72.2 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.2 | -32.3 | 178.7 | -61.8 | -173.9 | 167.6 | 0 | 0 | 112 | F140 V141 R142 | E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 3.35Å; E138-V141 PolarHBondContact O-N 3.09Å; E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-N 2.88Å |
| 139 | N | 76.1 | Confident | 72.4 | Confident | 112 Ų | 112 | 83.4 Ų | 83.4 | 60% | 0.599 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.5 | -32.9 | 177.1 | -66.2 | -24.3 | 0 | 0 | 0 | 112.5 | N137 G143 | N137-N139 PolarHBondContact O-N 3.24Å; N137-N139 WeakPolarHBondContact OD1-CB 3.1Å; N137-N139 PolarHBondContact OD1-N 3.06Å; N139-G143 PolarHBondContact O-N 3.23Å |
| 140 | F | 76.5 | Confident | 73 | Confident | 59 Ų | 59 | 86.5 Ų | 86.5 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 176.4 | 176.5 | -97.5 | 0 | 0 | 0 | 110.9 | M128 N137 E138 R142 G143 V144 | M128-F140 HydrophobicContact CG-CE1 4.36Å; M128-F140 HydrophobicContact CG-CZ 4.45Å; N137-F140 HydrophobicContact CB-CB 4.36Å; N137-F140 WeakPolarHBondContact O-CB 3.18Å; N137-F140 PolarHBondContact O-N 3.34Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 3.35Å; F140-R142 VanDerWaalsContact C-N 3.34Å; F140-R142 PolarHBondContact O-N 3.03Å; F140-G143 CarbonylContact O-C 3.51Å; F140-G143 WeakPolarHBondContact O-CA 3.33Å; F140-G143 PolarHBondContact O-N 2.93Å; F140-V144 HydrophobicContact CD1-CG2 4.1Å; F140-V144 HydrophobicContact CE1-CG2 3.6Å; F140-V144 HydrophobicContact CE2-CG2 4.18Å; F140-V144 HydrophobicContact CZ-CG2 3.65Å; F140-V144 WeakPolarHBondContact O-CG2 3.47Å; F140-V144 PolarHBondContact O-N 3.24Å |
| 141 | V | 75.8 | Confident | 73.6 | Confident | 7 Ų | 7 | 88.9 Ų | 88.9 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 179.8 | 177 | 0 | 0 | 0 | 0 | 110.5 | H56 L60 N137 E138 G143 V144 A145 | H56-V141 HydrophobicContact CB-CB 4.07Å; H56-V141 HydrophobicContact CB-CG1 3.72Å; H56-V141 HydrophobicContact CB-CG2 3.52Å; L60-V141 HydrophobicContact CD1-CG1 4.13Å; L60-V141 HydrophobicContact CD2-CG1 4.46Å; L60-V141 HydrophobicContact CG-CG1 3.96Å; N137-V141 PolarHBondContact O-N 2.96Å; E138-V141 PolarHBondContact O-N 3.09Å; V141-G143 VanDerWaalsContact C-N 3.32Å; V141-V144 PolarHBondContact O-N 3.44Å; V141-A145 PolarHBondContact O-N 3.27Å |
| 142 | R | 75.6 | Confident | 74.1 | Confident | 97 Ų | 97 | 83.5 Ų | 83.5 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 171.4 | -71.6 | -179.9 | -176.2 | -173.2 | 3.2 | 111.1 | I59 E138 F140 V144 A145 Y146 | I59-R142 HydrophobicContact CD1-CG 4.21Å; I59-R142 HydrophobicContact CG2-CG 4.09Å; E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-N 2.88Å; F140-R142 VanDerWaalsContact C-N 3.34Å; F140-R142 PolarHBondContact O-N 3.03Å; R142-V144 PolarHBondContact O-N 2.78Å; R142-A145 WeakPolarHBondContact O-CB 3.33Å; R142-A145 PolarHBondContact O-N 3.25Å; R142-Y146 HydrophobicContact CB-CD2 4.27Å; R142-Y146 HydrophobicContact CB-CE2 3.9Å; R142-Y146 WeakPolarHBondContact O-CB 3.23Å; R142-Y146 WeakPolarHBondContact O-CD2 3.27Å; R142-Y146 VanDerWaalsContact O-CG 3.27Å; R142-Y146 PolarHBondContact O-N 3.39Å |
| 143 | G | 80.6 | Confident | 74.8 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | N139 F140 V141 Y146 F147 | N139-G143 PolarHBondContact O-N 3.23Å; F140-G143 CarbonylContact O-C 3.51Å; F140-G143 WeakPolarHBondContact O-CA 3.33Å; F140-G143 PolarHBondContact O-N 2.93Å; V141-G143 VanDerWaalsContact C-N 3.32Å; G143-Y146 PolarHBondContact O-N 3.24Å; G143-F147 VanDerWaalsContact O-CB 3.29Å; G143-F147 WeakPolarHBondContact O-CB 3.43Å; G143-F147 PolarHBondContact O-N 3.2Å |
| 144 | V | 82.1 | Confident | 75.6 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 174.4 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | A121 F140 V141 R142 Y146 F147 C148 | A121-V144 HydrophobicContact CB-CG1 3.57Å; F140-V144 HydrophobicContact CD1-CG2 4.1Å; F140-V144 HydrophobicContact CE1-CG2 3.6Å; F140-V144 HydrophobicContact CE2-CG2 4.18Å; F140-V144 HydrophobicContact CZ-CG2 3.65Å; F140-V144 WeakPolarHBondContact O-CG2 3.47Å; F140-V144 PolarHBondContact O-N 3.24Å; V141-V144 PolarHBondContact O-N 3.44Å; R142-V144 PolarHBondContact O-N 2.78Å; V144-Y146 PolarHBondContact O-N 3.48Å; V144-F147 WeakPolarHBondContact O-CB 3.4Å; V144-F147 PolarHBondContact O-N 2.87Å; V144-C148 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-SG 3.24Å |
| 145 | A | 76.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L60 F63 V141 R142 F147 C148 A149 | L60-A145 HydrophobicContact CD2-CB 3.88Å; F63-A145 HydrophobicContact CD2-CB 3.78Å; F63-A145 HydrophobicContact CE2-CB 3.85Å; F63-A145 HydrophobicContact CG-CB 4.4Å; F63-A145 HydrophobicContact CZ-CB 4.49Å; V141-A145 PolarHBondContact O-N 3.27Å; R142-A145 WeakPolarHBondContact O-CB 3.33Å; R142-A145 PolarHBondContact O-N 3.25Å; A145-F147 VanDerWaalsContact C-N 3.35Å; A145-C148 PolarHBondContact O-N 2.91Å; A145-A149 WeakPolarHBondContact O-CB 3.49Å; A145-A149 PolarHBondContact O-N 3.2Å |
| 146 | Y | 82.1 | Confident | 77.4 | Confident | 135 Ų | 135 | 64.2 Ų | 64.2 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 174.8 | -67.4 | -46.1 | 0 | 0 | 0 | 112.1 | F63 R142 G143 V144 A149 F150 | F63-Y146 HydrophobicContact CE1-CD1 4.48Å; F63-Y146 HydrophobicContact CE1-CE1 4.24Å; F63-Y146 HydrophobicContact CZ-CD1 4.18Å; F63-Y146 AromaticContact CZ-CE1 3.73Å; F63-Y146 HydrophobicContact CZ-CE1 3.73Å; R142-Y146 HydrophobicContact CB-CD2 4.27Å; R142-Y146 HydrophobicContact CB-CE2 3.9Å; R142-Y146 WeakPolarHBondContact O-CB 3.23Å; R142-Y146 WeakPolarHBondContact O-CD2 3.27Å; R142-Y146 VanDerWaalsContact O-CG 3.27Å; R142-Y146 PolarHBondContact O-N 3.39Å; G143-Y146 PolarHBondContact O-N 3.24Å; V144-Y146 PolarHBondContact O-N 3.48Å; Y146-A149 PolarHBondContact O-N 2.81Å; Y146-F150 WeakPolarHBondContact O-CB 3.3Å; Y146-F150 PolarHBondContact O-N 3.49Å |
| 147 | F | 85.6 | Confident | 78.2 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 173.7 | 177.7 | -95 | 0 | 0 | 0 | 111.3 | G143 V144 A145 F150 F151 | G143-F147 VanDerWaalsContact O-CB 3.29Å; G143-F147 WeakPolarHBondContact O-CB 3.43Å; G143-F147 PolarHBondContact O-N 3.2Å; V144-F147 WeakPolarHBondContact O-CB 3.4Å; V144-F147 PolarHBondContact O-N 2.87Å; A145-F147 VanDerWaalsContact C-N 3.35Å; F147-F150 PolarHBondContact O-N 2.93Å; F147-F151 HydrophobicContact CZ-CD2 4.43Å; F147-F151 WeakPolarHBondContact O-CB 3.36Å; F147-F151 PolarHBondContact O-N 2.67Å |
| 148 | C | 85.1 | Confident | 78.5 | Confident | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.054 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.7 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | F114 L117 V144 A145 F151 S152 | F114-C148 HydrophobicContact CD2-CB 4.38Å; F114-C148 HydrophobicContact CE2-CB 3.98Å; L117-C148 HydrophobicContact CB-CB 4Å; L117-C148 HydrophobicContact CD1-CB 4.27Å; L117-C148 WeakPolarHBondContact CD1-O 3.19Å; V144-C148 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-SG 3.24Å; A145-C148 PolarHBondContact O-N 2.91Å; C148-F151 PolarHBondContact O-N 2.88Å; C148-S152 WeakPolarHBondContact O-CB 3.22Å; C148-S152 PolarHBondContact O-N 3.3Å; C148-S152 PolarHBondContact O-OG 2.94Å |
| 149 | A | 80.6 | Confident | 78.7 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F110 F114 A145 Y146 S152 I153 | F110-A149 VanDerWaalsContact CE2-O 3.3Å; F110-A149 WeakPolarHBondContact CE2-O 3.34Å; F110-A149 HydrophobicContact CZ-CB 4.27Å; F114-A149 HydrophobicContact CE2-CB 4.23Å; A145-A149 WeakPolarHBondContact O-CB 3.49Å; A145-A149 PolarHBondContact O-N 3.2Å; Y146-A149 PolarHBondContact O-N 2.81Å; A149-S152 WeakPolarHBondContact O-CB 3.24Å; A149-S152 PolarHBondContact O-N 2.72Å; A149-I153 WeakPolarHBondContact O-CG1 3.3Å; A149-I153 PolarHBondContact O-N 3.35Å |
| 150 | F | 84.3 | Confident | 78.8 | Confident | 117 Ų | 117 | 55.6 Ų | 55.6 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 175.9 | -177.2 | -91.3 | 0 | 0 | 0 | 110.7 | Y146 F147 S152 I153 F154 | Y146-F150 WeakPolarHBondContact O-CB 3.3Å; Y146-F150 PolarHBondContact O-N 3.49Å; F147-F150 PolarHBondContact O-N 2.93Å; F150-S152 PolarHBondContact O-N 3.28Å; F150-I153 WeakPolarHBondContact O-CB 3.29Å; F150-I153 PolarHBondContact O-N 3.31Å; F150-F154 AromaticContact CD1-CD2 3.76Å; F150-F154 HydrophobicContact CD1-CD2 3.76Å; F150-F154 AromaticContact CD1-CE2 3.93Å; F150-F154 HydrophobicContact CD1-CE2 3.93Å; F150-F154 HydrophobicContact CD2-CD2 4.24Å; F150-F154 AromaticContact CD2-CE2 3.69Å; F150-F154 HydrophobicContact CD2-CE2 3.69Å; F150-F154 AromaticContact CE1-CD2 3.5Å; F150-F154 HydrophobicContact CE1-CD2 3.5Å; F150-F154 AromaticContact CE1-CE2 3.44Å; F150-F154 HydrophobicContact CE1-CE2 3.44Å; F150-F154 VanDerWaalsContact CE1-CE2 3.44Å; F150-F154 HydrophobicContact CE1-CG 4.32Å; F150-F154 HydrophobicContact CE1-CZ 4.14Å; F150-F154 HydrophobicContact CE2-CD2 4.04Å; F150-F154 AromaticContact CE2-CE2 3.19Å; F150-F154 HydrophobicContact CE2-CE2 3.19Å; F150-F154 AromaticContact CE2-CZ 3.82Å; F150-F154 HydrophobicContact CE2-CZ 3.82Å; F150-F154 HydrophobicContact CG-CD2 4.13Å; F150-F154 HydrophobicContact CG-CE2 4.05Å; F150-F154 AromaticContact CZ-CD2 3.67Å; F150-F154 HydrophobicContact CZ-CD2 3.67Å; F150-F154 HydrophobicContact CZ-CE1 4.44Å; F150-F154 AromaticContact CZ-CE2 3.04Å; F150-F154 HydrophobicContact CZ-CE2 3.04Å; F150-F154 AromaticContact CZ-CZ 3.5Å; F150-F154 HydrophobicContact CZ-CZ 3.5Å; F150-F154 VanDerWaalsContact CZ-CZ 3.5Å; F150-F154 VanDerWaalsContact O-CD2 3.3Å; F150-F154 WeakPolarHBondContact O-CD2 3.04Å; F150-F154 PolarHBondContact O-N 2.99Å |
| 151 | F | 83.8 | Confident | 78.8 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.9 | -38.6 | 178.9 | -165.4 | -85 | 0 | 0 | 0 | 112.4 | L117 F147 C148 I153 F154 E155 | L117-F151 HydrophobicContact CD1-CB 3.97Å; L117-F151 HydrophobicContact CD1-CD1 3.74Å; L117-F151 HydrophobicContact CD1-CG 4.22Å; L117-F151 HydrophobicContact CD2-CD1 4.42Å; F147-F151 HydrophobicContact CZ-CD2 4.43Å; F147-F151 WeakPolarHBondContact O-CB 3.36Å; F147-F151 PolarHBondContact O-N 2.67Å; C148-F151 PolarHBondContact O-N 2.88Å; F151-I153 PolarHBondContact O-N 2.98Å; F151-F154 PolarHBondContact O-N 3.36Å; F151-F154 VanDerWaalsContact O-N 3.09Å; F151-E155 HydrophobicContact CD1-CB 4.24Å; F151-E155 HydrophobicContact CE1-CB 4.02Å; F151-E155 HydrophobicContact CE1-CG 4.37Å; F151-E155 PolarHBondContact O-N 3.19Å |
| 152 | S | 80.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -21.6 | 175.9 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | F114 C148 A149 F150 P156 | F114-S152 WeakPolarHBondContact CA-OG 3.44Å; F114-S152 PolarHBondContact N-OG 3.39Å; C148-S152 WeakPolarHBondContact O-CB 3.22Å; C148-S152 PolarHBondContact O-N 3.3Å; C148-S152 PolarHBondContact O-OG 2.94Å; A149-S152 WeakPolarHBondContact O-CB 3.24Å; A149-S152 PolarHBondContact O-N 2.72Å; F150-S152 PolarHBondContact O-N 3.28Å; S152-P156 WeakPolarHBondContact O-CD 3.36Å; S152-P156 WeakPolarHBondContact O-CG 3.3Å |
| 153 | I | 81.4 | Confident | 78.7 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -81.1 | -38.6 | 172.7 | -62.5 | 168.5 | 0 | 0 | 0 | 110.9 | F110 A149 F150 F151 P156 | F110-I153 HydrophobicContact CD2-CG1 3.73Å; F110-I153 HydrophobicContact CE2-CD1 4.34Å; F110-I153 HydrophobicContact CE2-CG1 3.64Å; A149-I153 WeakPolarHBondContact O-CG1 3.3Å; A149-I153 PolarHBondContact O-N 3.35Å; F150-I153 WeakPolarHBondContact O-CB 3.29Å; F150-I153 PolarHBondContact O-N 3.31Å; F151-I153 PolarHBondContact O-N 2.98Å; I153-P156 WeakPolarHBondContact O-CD 3.47Å |
| 154 | F | 77.2 | Confident | 78.6 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -82.8 | -36.1 | -172.9 | -79.7 | -91.3 | 0 | 0 | 0 | 113.6 | F150 F151 L157 | F150-F154 AromaticContact CD1-CD2 3.76Å; F150-F154 HydrophobicContact CD1-CD2 3.76Å; F150-F154 AromaticContact CD1-CE2 3.93Å; F150-F154 HydrophobicContact CD1-CE2 3.93Å; F150-F154 HydrophobicContact CD2-CD2 4.24Å; F150-F154 AromaticContact CD2-CE2 3.69Å; F150-F154 HydrophobicContact CD2-CE2 3.69Å; F150-F154 AromaticContact CE1-CD2 3.5Å; F150-F154 HydrophobicContact CE1-CD2 3.5Å; F150-F154 AromaticContact CE1-CE2 3.44Å; F150-F154 HydrophobicContact CE1-CE2 3.44Å; F150-F154 VanDerWaalsContact CE1-CE2 3.44Å; F150-F154 HydrophobicContact CE1-CG 4.32Å; F150-F154 HydrophobicContact CE1-CZ 4.14Å; F150-F154 HydrophobicContact CE2-CD2 4.04Å; F150-F154 AromaticContact CE2-CE2 3.19Å; F150-F154 HydrophobicContact CE2-CE2 3.19Å; F150-F154 AromaticContact CE2-CZ 3.82Å; F150-F154 HydrophobicContact CE2-CZ 3.82Å; F150-F154 HydrophobicContact CG-CD2 4.13Å; F150-F154 HydrophobicContact CG-CE2 4.05Å; F150-F154 AromaticContact CZ-CD2 3.67Å; F150-F154 HydrophobicContact CZ-CD2 3.67Å; F150-F154 HydrophobicContact CZ-CE1 4.44Å; F150-F154 AromaticContact CZ-CE2 3.04Å; F150-F154 HydrophobicContact CZ-CE2 3.04Å; F150-F154 AromaticContact CZ-CZ 3.5Å; F150-F154 HydrophobicContact CZ-CZ 3.5Å; F150-F154 VanDerWaalsContact CZ-CZ 3.5Å; F150-F154 VanDerWaalsContact O-CD2 3.3Å; F150-F154 WeakPolarHBondContact O-CD2 3.04Å; F150-F154 PolarHBondContact O-N 2.99Å; F151-F154 PolarHBondContact O-N 3.36Å; F151-F154 VanDerWaalsContact O-N 3.09Å; F154-L157 HydrophobicContact CB-CD1 4.39Å; F154-L157 HydrophobicContact CD1-CD1 3.57Å; F154-L157 HydrophobicContact CE1-CD1 4.06Å; F154-L157 HydrophobicContact CG-CD1 4.16Å; F154-L157 VanDerWaalsContact O-CB 3.29Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.48Å |
| 155 | E | 76.5 | Confident | 78.3 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.6 | -177.9 | -177.9 | -170.7 | 176.4 | 0 | 0 | 113.7 | I113 F151 L157 P158 F191 | I113-E155 HydrophobicContact CD1-CB 3.92Å; I113-E155 HydrophobicContact CD1-CG 4Å; I113-E155 WeakPolarHBondContact CD1-OE2 3.38Å; I113-E155 VanDerWaalsContact CG1-OE2 3.32Å; I113-E155 WeakPolarHBondContact CG1-OE2 3.47Å; I113-E155 WeakPolarHBondContact CG2-OE2 3.39Å; F151-E155 HydrophobicContact CD1-CB 4.24Å; F151-E155 HydrophobicContact CE1-CB 4.02Å; F151-E155 HydrophobicContact CE1-CG 4.37Å; F151-E155 PolarHBondContact O-N 3.19Å; E155-L157 VanDerWaalsContact C-N 3.27Å; E155-L157 PolarHBondContact O-N 3.18Å; E155-P158 VanDerWaalsContact O-CD 3.3Å; E155-P158 WeakPolarHBondContact O-CD 3.38Å; E155-F191 WeakPolarHBondContact OE1-CE1 3.5Å |
| 156 | P | 72.6 | Confident | 78 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.6 | 173.2 | -22.8 | 34.4 | 0 | 0 | 0 | 114.7 | I113 S152 I153 S159 V160 | I113-P156 HydrophobicContact CD1-CG 3.54Å; S152-P156 WeakPolarHBondContact O-CD 3.36Å; S152-P156 WeakPolarHBondContact O-CG 3.3Å; I153-P156 WeakPolarHBondContact O-CD 3.47Å; P156-S159 CarbonylContact O-C 3.57Å; P156-S159 WeakPolarHBondContact O-CA 3.15Å; P156-S159 WeakPolarHBondContact O-CB 3.36Å; P156-S159 PolarHBondContact O-N 3.37Å; P156-S159 PolarHBondContact O-OG 3.32Å; P156-V160 WeakPolarHBondContact O-CG2 3.38Å; P156-V160 PolarHBondContact O-N 2.87Å |
| 157 | L | 74.6 | Confident | 77.1 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | -169.2 | -67.5 | 175.6 | 0 | 0 | 0 | 114.7 | F154 E155 S159 V160 Y161 | F154-L157 HydrophobicContact CB-CD1 4.39Å; F154-L157 HydrophobicContact CD1-CD1 3.57Å; F154-L157 HydrophobicContact CE1-CD1 4.06Å; F154-L157 HydrophobicContact CG-CD1 4.16Å; F154-L157 VanDerWaalsContact O-CB 3.29Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.48Å; E155-L157 VanDerWaalsContact C-N 3.27Å; E155-L157 PolarHBondContact O-N 3.18Å; L157-S159 PolarHBondContact O-N 3.18Å; L157-V160 PolarHBondContact O-N 3.46Å; L157-Y161 WeakPolarHBondContact O-CB 3.29Å; L157-Y161 PolarHBondContact O-N 3.32Å |
| 158 | P | 73 | Confident | 76.5 | Confident | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60 | -32.5 | 175.5 | -23.3 | 34.9 | 0 | 0 | 0 | 112.2 | E155 K162 | E155-P158 VanDerWaalsContact O-CD 3.3Å; E155-P158 WeakPolarHBondContact O-CD 3.38Å; P158-K162 PolarHBondContact O-N 2.9Å |
| 159 | S | 72.5 | Confident | 76.3 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.2 | -51.7 | 174.8 | 131.5 | 0 | 0 | 0 | 0 | 110.4 | P156 L157 Y161 K162 D163 K179 | P156-S159 CarbonylContact O-C 3.57Å; P156-S159 WeakPolarHBondContact O-CA 3.15Å; P156-S159 WeakPolarHBondContact O-CB 3.36Å; P156-S159 PolarHBondContact O-N 3.37Å; P156-S159 PolarHBondContact O-OG 3.32Å; L157-S159 PolarHBondContact O-N 3.18Å; S159-Y161 VanDerWaalsContact C-N 3.29Å; S159-Y161 PolarHBondContact O-N 3.49Å; S159-K162 WeakPolarHBondContact O-CB 3.28Å; S159-K162 PolarHBondContact O-N 3.35Å; S159-K162 VanDerWaalsContact O-N 3.12Å; S159-D163 PolarHBondContact O-N 3.39Å; S159-D163 VanDerWaalsContact O-N 3.11Å; S159-K179 PolarHBondContact OG-NZ 3.39Å |
| 160 | V | 77.1 | Confident | 76.3 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | I102 I106 P156 L157 K162 D163 I164 | I102-V160 HydrophobicContact CG2-CG1 3.74Å; I102-V160 HydrophobicContact CG2-CG2 4.39Å; I106-V160 HydrophobicContact CD1-CG1 4.49Å; I106-V160 HydrophobicContact CD1-CG2 4.03Å; I106-V160 HydrophobicContact CG1-CG2 3.75Å; P156-V160 WeakPolarHBondContact O-CG2 3.38Å; P156-V160 PolarHBondContact O-N 2.87Å; L157-V160 PolarHBondContact O-N 3.46Å; V160-K162 VanDerWaalsContact C-N 3.31Å; V160-K162 PolarHBondContact O-N 2.87Å; V160-D163 WeakPolarHBondContact O-CA 3.49Å; V160-D163 WeakPolarHBondContact O-CB 3.48Å; V160-D163 PolarHBondContact O-N 2.7Å; V160-I164 HydrophobicContact CG1-CD1 3.96Å; V160-I164 HydrophobicContact CG1-CG1 4.4Å; V160-I164 WeakPolarHBondContact O-CG1 3.29Å; V160-I164 PolarHBondContact O-N 3.4Å |
| 161 | Y | 77.3 | Confident | 76.2 | Confident | 143 Ų | 143 | 67.4 Ų | 67.4 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.6 | -40.5 | 177.1 | -178 | -102.3 | 0 | 0 | 0 | 112.1 | L157 S159 D163 I164 Q165 | L157-Y161 WeakPolarHBondContact O-CB 3.29Å; L157-Y161 PolarHBondContact O-N 3.32Å; S159-Y161 VanDerWaalsContact C-N 3.29Å; S159-Y161 PolarHBondContact O-N 3.49Å; Y161-D163 VanDerWaalsContact C-N 3.3Å; Y161-I164 PolarHBondContact O-N 2.97Å; Y161-Q165 HydrophobicContact CE1-CG 4.49Å; Y161-Q165 WeakPolarHBondContact O-CG 3.37Å; Y161-Q165 PolarHBondContact O-N 3.24Å; Y161-Q165 PolarHBondContact OH-NE2 2.8Å |
| 162 | K | 74.8 | Confident | 76.1 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.2 | -33.7 | 172.4 | -75.5 | -163 | 169.9 | -161.7 | 0 | 112.6 | P158 S159 V160 Q165 D180 V183 | P158-K162 PolarHBondContact O-N 2.9Å; S159-K162 WeakPolarHBondContact O-CB 3.28Å; S159-K162 PolarHBondContact O-N 3.35Å; S159-K162 VanDerWaalsContact O-N 3.12Å; V160-K162 VanDerWaalsContact C-N 3.31Å; V160-K162 PolarHBondContact O-N 2.87Å; K162-Q165 PolarHBondContact O-N 3.49Å; K162-D180 IonicContact NZ-OD2 3.25Å; K162-V183 HydrophobicContact CD-CG2 4.37Å; K162-V183 VanDerWaalsContact NZ-CG2 3.28Å |
| 163 | D | 74.8 | Confident | 76 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 179 | -55.2 | -7.3 | 0 | 0 | 0 | 110.8 | I98 I102 S159 V160 Y161 Q165 R166 H178 K179 | I98-D163 HydrophobicContact CG2-CB 3.93Å; I102-D163 HydrophobicContact CD1-CB 3.56Å; I102-D163 HydrophobicContact CG1-CB 3.63Å; S159-D163 PolarHBondContact O-N 3.39Å; S159-D163 VanDerWaalsContact O-N 3.11Å; V160-D163 WeakPolarHBondContact O-CA 3.49Å; V160-D163 WeakPolarHBondContact O-CB 3.48Å; V160-D163 PolarHBondContact O-N 2.7Å; Y161-D163 VanDerWaalsContact C-N 3.3Å; D163-Q165 VanDerWaalsContact C-N 3.29Å; D163-Q165 PolarHBondContact O-N 3.05Å; D163-R166 PolarHBondContact O-N 3.41Å; D163-H178 IonicContact OD1-CD2 2.87Å; D163-H178 IonicContact OD1-CE1 3.59Å; D163-H178 PolarHBondContact OD1-CE1 3.41Å; D163-H178 IonicContact OD1-NE2 3.58Å; D163-H178 PolarHBondContact OD1-NE2 2.86Å; D163-H178 IonicContact OD2-CE1 3.65Å; D163-H178 IonicContact OD2-NE2 3.94Å; D163-K179 WeakPolarHBondContact OD1-CE 3.23Å; D163-K179 IonicContact OD1-NZ 3.8Å; D163-K179 IonicContact OD2-NZ 3.53Å |
| 164 | I | 78.4 | Confident | 75.7 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 61% | 0.605 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.9 | -29.1 | 177.5 | -64.6 | 168.1 | 0 | 0 | 0 | 112.2 | I102 V160 Y161 R166 | I102-I164 HydrophobicContact CD1-CG1 3.83Å; V160-I164 HydrophobicContact CG1-CD1 3.96Å; V160-I164 HydrophobicContact CG1-CG1 4.4Å; V160-I164 WeakPolarHBondContact O-CG1 3.29Å; V160-I164 PolarHBondContact O-N 3.4Å; Y161-I164 PolarHBondContact O-N 2.97Å; I164-R166 VanDerWaalsContact C-N 3.34Å |
| 165 | Q | 74.9 | Confident | 75.3 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -9.9 | -177.9 | -74.3 | -174.7 | -22.2 | 0 | 0 | 114.4 | Y161 K162 D163 | Y161-Q165 HydrophobicContact CE1-CG 4.49Å; Y161-Q165 WeakPolarHBondContact O-CG 3.37Å; Y161-Q165 PolarHBondContact O-N 3.24Å; Y161-Q165 PolarHBondContact OH-NE2 2.8Å; K162-Q165 PolarHBondContact O-N 3.49Å; D163-Q165 VanDerWaalsContact C-N 3.29Å; D163-Q165 PolarHBondContact O-N 3.05Å |
| 166 | R | 69.7 | Low | 74.7 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | trans | -112.1 | 119.7 | -177.5 | -73.4 | -157.2 | 175.7 | 178.4 | 2.5 | 111.2 | D163 I164 G168 H178 D180 | D163-R166 PolarHBondContact O-N 3.41Å; I164-R166 VanDerWaalsContact C-N 3.34Å; R166-G168 PolarHBondContact O-N 3.39Å; R166-H178 PolarHBondContact NH1-O 3.34Å; R166-D180 IonicContact CZ-OD1 3.78Å; R166-D180 IonicContact NH1-OD1 3.17Å; R166-D180 IonicContact NH2-OD1 3.99Å; R166-D180 PolarHBondContact NH2-OD1 3.43Å; R166-D180 IonicContact NH2-OD2 3.76Å | ||
| 167 | D | 64.1 | Low | 74.1 | Confident | 176 Ų | 176 | 53.3 Ų | 53.3 | 94% | 0.941 | 27% | 0.268 | S | S | * | . | trans | -74.7 | 112.2 | 162.7 | -68.7 | -32.1 | 0 | 0 | 0 | 108.5 | ||||
| 168 | G | 74.1 | Confident | 73.7 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | trans | -166.3 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I98 R166 | I98-G168 WeakPolarHBondContact CG1-O 3.19Å; I98-G168 PolarHBondContact N-O 2.73Å; R166-G168 PolarHBondContact O-N 3.39Å | ||
| 169 | H | 79.6 | Confident | 73.6 | Confident | 82 Ų | 82 | 46 Ų | 46 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158.3 | 173.8 | -56.8 | 67.1 | 0 | 0 | 0 | 109.9 | L95 V96 | L95-H169 HydrophobicContact CB-CB 3.56Å; L95-H169 HydrophobicContact CD1-CB 4.3Å; V96-H169 CarbonylContact O-C 3.5Å; V96-H169 VanDerWaalsContact O-CA 3.24Å; V96-H169 WeakPolarHBondContact O-CA 3.24Å |
| 170 | Q | 81.5 | Confident | 73.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.3 | -176 | -54.2 | -172.2 | -7.6 | 0 | 0 | 110.8 | V96 I98 H178 | V96-Q170 PolarHBondContact N-O 3.02Å; V96-Q170 PolarHBondContact O-N 2.87Å; I98-Q170 HydrophobicContact CD1-CG 4.4Å; I98-Q170 HydrophobicContact CG1-CG 3.79Å; I98-Q170 VanDerWaalsContact CG1-NE2 3.35Å; Q170-H178 PolarHBondContact NE2-CE1 2.95Å; Q170-H178 VanDerWaalsContact NE2-CE1 3.26Å; Q170-H178 PolarHBondContact NE2-ND1 3.22Å |
| 171 | L | 80.8 | Confident | 73.3 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -78.4 | -34.3 | 174.8 | -169 | 67.3 | 0 | 0 | 0 | 111.1 | S14 I15 H82 L94 L95 E177 | S14-L171 WeakPolarHBondContact OG-CD2 3.24Å; I15-L171 HydrophobicContact CG1-CD1 3.81Å; H82-L171 PolarHBondContact CE1-O 2.74Å; H82-L171 PolarHBondContact ND1-O 3.31Å; L94-L171 HydrophobicContact CD2-CD1 3.95Å; L94-L171 HydrophobicContact CG-CD1 4.45Å; L95-L171 HydrophobicContact CD2-CB 4.41Å; L95-L171 HydrophobicContact CD2-CD1 4.21Å; L171-E177 WeakPolarHBondContact CB-OE2 3.19Å; L171-E177 PolarHBondContact N-OE2 2.86Å |
| 172 | N | 81.8 | Confident | 73.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -132.7 | 117.8 | 179.8 | -167.2 | -26.7 | 0 | 0 | 0 | 111.9 | S174 S175 E177 | N172-S174 VanDerWaalsContact CG-OG 3.31Å; N172-S174 PolarHBondContact O-N 2.96Å; N172-S174 WeakPolarHBondContact OD1-CB 3.47Å; N172-S174 PolarHBondContact OD1-N 3.05Å; N172-S174 PolarHBondContact OD1-OG 3.14Å; N172-S175 WeakPolarHBondContact O-CB 3.49Å; N172-S175 PolarHBondContact O-N 2.93Å; N172-S175 VanDerWaalsContact O-N 3.11Å; N172-S175 PolarHBondContact O-OG 3.27Å; N172-E177 WeakPolarHBondContact CB-OE1 3.46Å; N172-E177 PolarHBondContact N-OE1 3.14Å | ||
| 173 | C | 80.4 | Confident | 73.3 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.3 | -179.2 | -77.3 | 0 | 0 | 0 | 0 | 114.3 | L78 H82 V96 C101 R105 | L78-C173 HydrophobicContact CD1-CB 4.2Å; L78-C173 HydrophobicContact CD2-CB 3.61Å; L78-C173 HydrophobicContact CG-CB 4.48Å; H82-C173 PolarHBondContact CE1-N 2.93Å; H82-C173 WeakPolarHBondContact NE2-CB 3.11Å; H82-C173 PolarHBondContact NE2-N 3.01Å; V96-C173 VanDerWaalsContact CG1-SG 3.59Å; C101-C173 HydrophobicContact CB-CB 3.44Å; C101-C173 VanDerWaalsContact CB-CB 3.44Å; C101-C173 WeakPolarHBondContact CB-SG 3.3Å; C101-C173 WeakPolarHBondContact SG-CA 3.32Å; C101-C173 WeakPolarHBondContact SG-CB 3.32Å; C101-C173 CovalentContact SG-SG 2.04Å; C101-C173 PolarHBondContact SG-SG 2.9Å; R105-C173 VanDerWaalsContact CZ-O 3.23Å; R105-C173 PolarHBondContact NE-O 2.62Å; R105-C173 PolarHBondContact NH2-O 3.26Å |
| 174 | S | 74.1 | Confident | 73.3 | Confident | 7 Ų | 7 | 45 Ų | 45 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.8 | 174.9 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | N172 F270 | N172-S174 VanDerWaalsContact CG-OG 3.31Å; N172-S174 PolarHBondContact O-N 2.96Å; N172-S174 WeakPolarHBondContact OD1-CB 3.47Å; N172-S174 PolarHBondContact OD1-N 3.05Å; N172-S174 PolarHBondContact OD1-OG 3.14Å; S174-F270 WeakPolarHBondContact O-CE1 2.8Å; S174-F270 WeakPolarHBondContact O-CZ 3.47Å; S174-F270 VanDerWaalsContact OG-CE1 3.25Å; S174-F270 WeakPolarHBondContact OG-CE1 3.34Å |
| 175 | S | 68.8 | Low | 73.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -85.2 | 178.7 | -174 | 83.1 | 0 | 0 | 0 | 0 | 113.2 | R105 N172 E177 F270 | R105-S175 PolarHBondContact NE-O 3.34Å; R105-S175 PolarHBondContact NH1-O 3.2Å; N172-S175 WeakPolarHBondContact O-CB 3.49Å; N172-S175 PolarHBondContact O-N 2.93Å; N172-S175 VanDerWaalsContact O-N 3.11Å; N172-S175 PolarHBondContact O-OG 3.27Å; S175-E177 VanDerWaalsContact CB-OE1 3.25Å; S175-E177 WeakPolarHBondContact CB-OE1 3.47Å; S175-E177 WeakPolarHBondContact OG-CB 3.18Å; S175-E177 WeakPolarHBondContact OG-CG 3.29Å; S175-E177 PolarHBondContact OG-N 2.95Å; S175-E177 PolarHBondContact OG-OE1 3.18Å; S175-F270 VanDerWaalsContact CB-CG 3.45Å |
| 176 | F | 64.9 | Low | 73.4 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -112.8 | 24.2 | 170 | -61.6 | -60.5 | 0 | 0 | 0 | 112.3 | H178 K179 Q184 F188 F270 | F176-H178 PolarHBondContact O-N 2.6Å; F176-K179 HydrophobicContact CB-CB 4.43Å; F176-K179 HydrophobicContact CB-CD 4.15Å; F176-K179 HydrophobicContact CB-CG 4.42Å; F176-K179 HydrophobicContact CD1-CD 3.92Å; F176-K179 VanDerWaalsContact CE1-NZ 3.32Å; F176-K179 HydrophobicContact CG-CD 4.35Å; F176-K179 WeakPolarHBondContact O-CB 3.22Å; F176-K179 PolarHBondContact O-N 2.87Å; F176-Q184 HydrophobicContact CB-CG 4.02Å; F176-Q184 PolarHBondContact O-NE2 3.4Å; F176-F188 HydrophobicContact CD2-CZ 4.48Å; F176-F270 HydrophobicContact CD2-CE2 4.4Å | ||
| 177 | E | 59.4 | Low | 73.8 | Confident | 21 Ų | 21 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.6 | -40 | -171.6 | -82.4 | 158.3 | -120.9 | 0 | 0 | 115 | L171 N172 S175 K179 Q264 L265 G267 | L171-E177 WeakPolarHBondContact CB-OE2 3.19Å; L171-E177 PolarHBondContact N-OE2 2.86Å; N172-E177 WeakPolarHBondContact CB-OE1 3.46Å; N172-E177 PolarHBondContact N-OE1 3.14Å; S175-E177 VanDerWaalsContact CB-OE1 3.25Å; S175-E177 WeakPolarHBondContact CB-OE1 3.47Å; S175-E177 WeakPolarHBondContact OG-CB 3.18Å; S175-E177 WeakPolarHBondContact OG-CG 3.29Å; S175-E177 PolarHBondContact OG-N 2.95Å; S175-E177 PolarHBondContact OG-OE1 3.18Å; E177-K179 VanDerWaalsContact C-N 3.34Å; E177-K179 PolarHBondContact O-N 3.24Å; E177-Q264 PolarHBondContact O-OE1 3.26Å; E177-L265 VanDerWaalsContact CA-O 3.32Å; E177-L265 WeakPolarHBondContact CA-O 3.03Å; E177-L265 VanDerWaalsContact CG-O 3.24Å; E177-L265 WeakPolarHBondContact CG-O 3.19Å; E177-G267 WeakPolarHBondContact OE1-CA 3.4Å; E177-G267 PolarHBondContact OE1-N 3.42Å |
| 178 | H | 65.9 | Low | 74.7 | Confident | 16 Ų | 16 | 31.6 Ų | 31.6 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.3 | -176.3 | 69.3 | -53.3 | 0 | 0 | 0 | 114.8 | I98 R105 D163 R166 Q170 F176 | I98-H178 HydrophobicContact CD1-CB 3.9Å; R105-H178 PolarHBondContact NH1-CE1 3.42Å; D163-H178 IonicContact OD1-CD2 2.87Å; D163-H178 IonicContact OD1-CE1 3.59Å; D163-H178 PolarHBondContact OD1-CE1 3.41Å; D163-H178 IonicContact OD1-NE2 3.58Å; D163-H178 PolarHBondContact OD1-NE2 2.86Å; D163-H178 IonicContact OD2-CE1 3.65Å; D163-H178 IonicContact OD2-NE2 3.94Å; R166-H178 PolarHBondContact NH1-O 3.34Å; Q170-H178 PolarHBondContact NE2-CE1 2.95Å; Q170-H178 VanDerWaalsContact NE2-CE1 3.26Å; Q170-H178 PolarHBondContact NE2-ND1 3.22Å; F176-H178 PolarHBondContact O-N 2.6Å |
| 179 | K | 70.8 | Confident | 75.1 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -93.5 | 140.4 | -179.4 | -62 | -173.9 | -175.5 | 161.2 | 0 | 111.1 | S159 D163 F176 E177 V183 Q184 | S159-K179 PolarHBondContact OG-NZ 3.39Å; D163-K179 WeakPolarHBondContact OD1-CE 3.23Å; D163-K179 IonicContact OD1-NZ 3.8Å; D163-K179 IonicContact OD2-NZ 3.53Å; F176-K179 HydrophobicContact CB-CB 4.43Å; F176-K179 HydrophobicContact CB-CD 4.15Å; F176-K179 HydrophobicContact CB-CG 4.42Å; F176-K179 HydrophobicContact CD1-CD 3.92Å; F176-K179 VanDerWaalsContact CE1-NZ 3.32Å; F176-K179 HydrophobicContact CG-CD 4.35Å; F176-K179 WeakPolarHBondContact O-CB 3.22Å; F176-K179 PolarHBondContact O-N 2.87Å; E177-K179 VanDerWaalsContact C-N 3.34Å; E177-K179 PolarHBondContact O-N 3.24Å; K179-V183 HydrophobicContact CD-CG1 4.35Å; K179-Q184 HydrophobicContact CB-CG 4.03Å; K179-Q184 PolarHBondContact O-NE2 3.18Å |
| 180 | D | 71.7 | Confident | 75.2 | Confident | 57 Ų | 57 | 31.1 Ų | 31.1 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | trans | -60.9 | 143.4 | 177.7 | -43.2 | -45.5 | 0 | 0 | 0 | 110.9 | K162 R166 L182 V183 Q184 | K162-D180 IonicContact NZ-OD2 3.25Å; R166-D180 IonicContact CZ-OD1 3.78Å; R166-D180 IonicContact NH1-OD1 3.17Å; R166-D180 IonicContact NH2-OD1 3.99Å; R166-D180 PolarHBondContact NH2-OD1 3.43Å; R166-D180 IonicContact NH2-OD2 3.76Å; D180-L182 PolarHBondContact O-N 3.05Å; D180-V183 WeakPolarHBondContact O-CB 3.32Å; D180-V183 PolarHBondContact O-N 3.37Å; D180-Q184 PolarHBondContact O-N 2.97Å | ||
| 181 | A | 72.4 | Confident | 75.1 | Confident | 28 Ų | 28 | 31.7 Ų | 31.7 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.6 | -35.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V183 Q184 K185 A260 | A181-V183 PolarHBondContact O-N 2.89Å; A181-Q184 PolarHBondContact O-N 3.36Å; A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.39Å; A181-K185 PolarHBondContact O-N 2.95Å; A181-A260 HydrophobicContact CB-CB 4.48Å; A181-A260 VanDerWaalsContact CB-O 3.23Å; A181-A260 WeakPolarHBondContact CB-O 3.48Å |
| 182 | L | 76 | Confident | 75.3 | Confident | 121 Ų | 121 | 32.8 Ų | 32.8 | 63% | 0.634 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -63.2 | -41 | 177.6 | -176.6 | 64.7 | 0 | 0 | 0 | 112.5 | D180 N186 | D180-L182 PolarHBondContact O-N 3.05Å; L182-N186 VanDerWaalsContact O-CG 3.26Å; L182-N186 PolarHBondContact O-N 3.34Å; L182-N186 PolarHBondContact O-ND2 2.82Å |
| 183 | V | 75.7 | Confident | 75.5 | Confident | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -47.1 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | K162 K179 D180 A181 K185 N186 I187 | K162-V183 HydrophobicContact CD-CG2 4.37Å; K162-V183 VanDerWaalsContact NZ-CG2 3.28Å; K179-V183 HydrophobicContact CD-CG1 4.35Å; D180-V183 WeakPolarHBondContact O-CB 3.32Å; D180-V183 PolarHBondContact O-N 3.37Å; A181-V183 PolarHBondContact O-N 2.89Å; V183-K185 VanDerWaalsContact C-N 3.33Å; V183-K185 PolarHBondContact O-N 3.4Å; V183-N186 PolarHBondContact O-N 3.49Å; V183-I187 HydrophobicContact CG1-CD1 4.06Å; V183-I187 WeakPolarHBondContact O-CG1 3.09Å; V183-I187 PolarHBondContact O-N 2.98Å; V183-I187 VanDerWaalsContact O-N 3.08Å |
| 184 | Q | 73.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 177.8 | -64.2 | -174.2 | 0.8 | 0 | 0 | 110.9 | F176 K179 D180 A181 N186 I187 F188 L265 | F176-Q184 HydrophobicContact CB-CG 4.02Å; F176-Q184 PolarHBondContact O-NE2 3.4Å; K179-Q184 HydrophobicContact CB-CG 4.03Å; K179-Q184 PolarHBondContact O-NE2 3.18Å; D180-Q184 PolarHBondContact O-N 2.97Å; A181-Q184 PolarHBondContact O-N 3.36Å; Q184-N186 VanDerWaalsContact C-N 3.33Å; Q184-N186 PolarHBondContact O-N 3.34Å; Q184-I187 PolarHBondContact O-N 3.03Å; Q184-F188 HydrophobicContact CB-CD2 4.41Å; Q184-F188 HydrophobicContact CB-CE2 4.1Å; Q184-F188 WeakPolarHBondContact O-CD2 3.22Å; Q184-F188 PolarHBondContact O-N 3.11Å; Q184-L265 VanDerWaalsContact OE1-CB 3.28Å |
| 185 | K | 77.6 | Confident | 76.3 | Confident | 110 Ų | 110 | 38.6 Ų | 38.6 | 48% | 0.478 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 177.6 | -174.9 | 176.9 | 178.4 | 178.8 | 0 | 112.3 | A181 V183 F188 I189 M257 | A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.39Å; A181-K185 PolarHBondContact O-N 2.95Å; V183-K185 VanDerWaalsContact C-N 3.33Å; V183-K185 PolarHBondContact O-N 3.4Å; K185-F188 PolarHBondContact O-N 3.12Å; K185-I189 HydrophobicContact CD-CD1 4.44Å; K185-I189 HydrophobicContact CG-CD1 3.78Å; K185-I189 HydrophobicContact CG-CG1 4.4Å; K185-I189 WeakPolarHBondContact O-CB 3.13Å; K185-I189 VanDerWaalsContact O-CG1 3.26Å; K185-I189 WeakPolarHBondContact O-CG1 3.33Å; K185-I189 PolarHBondContact O-N 3.17Å; K185-M257 HydrophobicContact CG-SD 4.32Å |
| 186 | N | 79.4 | Confident | 77.2 | Confident | 95 Ų | 95 | 43.5 Ų | 43.5 | 51% | 0.508 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 178.6 | -72.5 | -12.2 | 0 | 0 | 0 | 112.4 | L182 V183 Q184 I189 G190 | L182-N186 VanDerWaalsContact O-CG 3.26Å; L182-N186 PolarHBondContact O-N 3.34Å; L182-N186 PolarHBondContact O-ND2 2.82Å; V183-N186 PolarHBondContact O-N 3.49Å; Q184-N186 VanDerWaalsContact C-N 3.33Å; Q184-N186 PolarHBondContact O-N 3.34Å; N186-I189 PolarHBondContact O-N 2.87Å; N186-G190 PolarHBondContact O-N 3.1Å |
| 187 | I | 77.9 | Confident | 78.3 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 174.8 | -66.2 | 166.3 | 0 | 0 | 0 | 109.9 | V183 Q184 I189 G190 F191 | V183-I187 HydrophobicContact CG1-CD1 4.06Å; V183-I187 WeakPolarHBondContact O-CG1 3.09Å; V183-I187 PolarHBondContact O-N 2.98Å; V183-I187 VanDerWaalsContact O-N 3.08Å; Q184-I187 PolarHBondContact O-N 3.03Å; I187-I189 PolarHBondContact O-N 3.22Å; I187-G190 PolarHBondContact O-N 3.26Å; I187-G190 VanDerWaalsContact O-N 3.16Å; I187-F191 HydrophobicContact CG2-CD2 4.25Å; I187-F191 HydrophobicContact CG2-CE1 4.33Å; I187-F191 HydrophobicContact CG2-CE2 3.79Å; I187-F191 HydrophobicContact CG2-CZ 3.84Å; I187-F191 WeakPolarHBondContact O-CG 3.5Å; I187-F191 PolarHBondContact O-N 2.97Å |
| 188 | F | 81.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -38 | -179.8 | -68 | -55.8 | 0 | 0 | 0 | 113.3 | F176 Q184 K185 G190 F191 L192 F252 A253 M257 | F176-F188 HydrophobicContact CD2-CZ 4.48Å; Q184-F188 HydrophobicContact CB-CD2 4.41Å; Q184-F188 HydrophobicContact CB-CE2 4.1Å; Q184-F188 WeakPolarHBondContact O-CD2 3.22Å; Q184-F188 PolarHBondContact O-N 3.11Å; K185-F188 PolarHBondContact O-N 3.12Å; F188-G190 VanDerWaalsContact C-N 3.35Å; F188-F191 PolarHBondContact O-N 2.82Å; F188-L192 WeakPolarHBondContact O-CG 3.45Å; F188-L192 PolarHBondContact O-N 3.34Å; F188-F252 HydrophobicContact CE1-CD1 4.08Å; F188-F252 HydrophobicContact CE1-CD2 4.42Å; F188-F252 AromaticContact CE1-CE1 3.71Å; F188-F252 HydrophobicContact CE1-CE1 3.71Å; F188-F252 HydrophobicContact CE1-CE2 4.09Å; F188-F252 HydrophobicContact CE1-CG 4.43Å; F188-F252 AromaticContact CE1-CZ 3.72Å; F188-F252 HydrophobicContact CE1-CZ 3.72Å; F188-F252 HydrophobicContact CZ-CE2 4.31Å; F188-F252 HydrophobicContact CZ-CZ 4.15Å; F188-A253 HydrophobicContact CB-CB 4Å; F188-A253 HydrophobicContact CD1-CB 4.1Å; F188-A253 HydrophobicContact CG-CB 4.32Å; F188-M257 HydrophobicContact CB-CE 4.49Å; F188-M257 HydrophobicContact CB-CG 4.24Å; F188-M257 HydrophobicContact CB-SD 4.48Å; F188-M257 HydrophobicContact CD2-CG 4.4Å |
| 189 | I | 82.7 | Confident | 80.8 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 174 | -71.4 | 170.1 | 0 | 0 | 0 | 110.8 | K185 N186 I187 F191 L192 T193 M257 | K185-I189 HydrophobicContact CD-CD1 4.44Å; K185-I189 HydrophobicContact CG-CD1 3.78Å; K185-I189 HydrophobicContact CG-CG1 4.4Å; K185-I189 WeakPolarHBondContact O-CB 3.13Å; K185-I189 VanDerWaalsContact O-CG1 3.26Å; K185-I189 WeakPolarHBondContact O-CG1 3.33Å; K185-I189 PolarHBondContact O-N 3.17Å; N186-I189 PolarHBondContact O-N 2.87Å; I187-I189 PolarHBondContact O-N 3.22Å; I189-F191 VanDerWaalsContact C-N 3.34Å; I189-F191 PolarHBondContact O-N 2.79Å; I189-L192 PolarHBondContact O-N 2.58Å; I189-T193 WeakPolarHBondContact O-CB 3.43Å; I189-T193 PolarHBondContact O-N 2.97Å; I189-T193 PolarHBondContact O-OG1 2.7Å; I189-M257 HydrophobicContact CG1-SD 4.3Å |
| 190 | G | 81.3 | Confident | 81.7 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.8 | -50.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N186 I187 F188 L192 T193 L194 | N186-G190 PolarHBondContact O-N 3.1Å; I187-G190 PolarHBondContact O-N 3.26Å; I187-G190 VanDerWaalsContact O-N 3.16Å; F188-G190 VanDerWaalsContact C-N 3.35Å; G190-L192 PolarHBondContact O-N 3.2Å; G190-T193 WeakPolarHBondContact O-CB 3.47Å; G190-T193 PolarHBondContact O-N 2.75Å; G190-T193 VanDerWaalsContact O-N 3.12Å; G190-L194 WeakPolarHBondContact O-CG 3.45Å; G190-L194 PolarHBondContact O-N 2.62Å |
| 191 | F | 79.9 | Confident | 82.5 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 178 | -71.9 | -9.1 | 0 | 0 | 0 | 113.6 | I113 E155 I187 F188 I189 T193 L194 D195 | I113-F191 HydrophobicContact CG1-CE1 3.72Å; I113-F191 HydrophobicContact CG1-CZ 3.91Å; E155-F191 WeakPolarHBondContact OE1-CE1 3.5Å; I187-F191 HydrophobicContact CG2-CD2 4.25Å; I187-F191 HydrophobicContact CG2-CE1 4.33Å; I187-F191 HydrophobicContact CG2-CE2 3.79Å; I187-F191 HydrophobicContact CG2-CZ 3.84Å; I187-F191 WeakPolarHBondContact O-CG 3.5Å; I187-F191 PolarHBondContact O-N 2.97Å; F188-F191 PolarHBondContact O-N 2.82Å; I189-F191 VanDerWaalsContact C-N 3.34Å; I189-F191 PolarHBondContact O-N 2.79Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.21Å; F191-L194 PolarHBondContact O-N 2.78Å; F191-D195 PolarHBondContact O-N 3.43Å |
| 192 | L | 84.5 | Confident | 83.3 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 175.8 | -71.8 | 175.5 | 0 | 0 | 0 | 111.9 | F188 I189 G190 L194 D195 F196 V250 A253 M257 | F188-L192 WeakPolarHBondContact O-CG 3.45Å; F188-L192 PolarHBondContact O-N 3.34Å; I189-L192 PolarHBondContact O-N 2.58Å; G190-L192 PolarHBondContact O-N 3.2Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 2.83Å; L192-D195 PolarHBondContact O-N 3.47Å; L192-F196 HydrophobicContact CB-CD2 4.27Å; L192-F196 HydrophobicContact CB-CE2 4.32Å; L192-F196 HydrophobicContact CD2-CE2 4.22Å; L192-F196 WeakPolarHBondContact O-CB 3.22Å; L192-F196 WeakPolarHBondContact O-CD2 3.43Å; L192-F196 PolarHBondContact O-N 2.83Å; L192-V250 HydrophobicContact CD2-CB 4.32Å; L192-V250 HydrophobicContact CD2-CG2 3.72Å; L192-A253 HydrophobicContact CD1-CB 3.83Å; L192-A253 HydrophobicContact CD2-CB 3.92Å; L192-A253 HydrophobicContact CG-CB 3.78Å; L192-M257 HydrophobicContact CD1-CE 3.49Å; L192-M257 VanDerWaalsContact CD1-CE 3.49Å |
| 193 | T | 86.8 | Confident | 83.9 | Confident | 90 Ų | 90 | 42.3 Ų | 42.3 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.6 | -41.4 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | I189 G190 F191 G197 | I189-T193 WeakPolarHBondContact O-CB 3.43Å; I189-T193 PolarHBondContact O-N 2.97Å; I189-T193 PolarHBondContact O-OG1 2.7Å; G190-T193 WeakPolarHBondContact O-CB 3.47Å; G190-T193 PolarHBondContact O-N 2.75Å; G190-T193 VanDerWaalsContact O-N 3.12Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.21Å; T193-G197 PolarHBondContact O-N 3.43Å |
| 194 | L | 85.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 176.2 | -64.7 | 177.6 | 0 | 0 | 0 | 111.6 | Q116 L117 I120 G190 F191 L192 G197 S198 | Q116-L194 HydrophobicContact CB-CB 4.28Å; Q116-L194 HydrophobicContact CB-CD1 4.36Å; L117-L194 HydrophobicContact CD2-CD1 4.25Å; I120-L194 HydrophobicContact CD1-CB 3.75Å; I120-L194 HydrophobicContact CD1-CD2 3.41Å; I120-L194 VanDerWaalsContact CD1-CD2 3.41Å; I120-L194 HydrophobicContact CD1-CG 4.1Å; G190-L194 WeakPolarHBondContact O-CG 3.45Å; G190-L194 PolarHBondContact O-N 2.62Å; F191-L194 PolarHBondContact O-N 2.78Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 2.83Å; L194-G197 PolarHBondContact O-N 3.4Å; L194-S198 WeakPolarHBondContact O-CB 3.42Å; L194-S198 PolarHBondContact O-N 3.26Å |
| 195 | D | 85.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 177.9 | -83.9 | -25.2 | 0 | 0 | 0 | 112.1 | F191 L192 G197 S198 A199 N245 M246 Y249 | F191-D195 PolarHBondContact O-N 3.43Å; L192-D195 PolarHBondContact O-N 3.47Å; D195-G197 VanDerWaalsContact C-N 3.33Å; D195-G197 PolarHBondContact O-N 3.41Å; D195-S198 PolarHBondContact O-N 3.36Å; D195-S198 PolarHBondContact O-OG 2.94Å; D195-A199 PolarHBondContact O-N 3.04Å; D195-N245 PolarHBondContact OD1-ND2 3.39Å; D195-M246 HydrophobicContact CB-CG 4.21Å; D195-Y249 WeakPolarHBondContact OD2-CB 3.48Å |
| 196 | F | 88.3 | Confident | 85.5 | Confident | 102 Ų | 102 | 42.7 Ų | 42.7 | 45% | 0.447 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.1 | -77.2 | -65.3 | 0 | 0 | 0 | 112.1 | L192 S198 A199 I200 M246 V250 | L192-F196 HydrophobicContact CB-CD2 4.27Å; L192-F196 HydrophobicContact CB-CE2 4.32Å; L192-F196 HydrophobicContact CD2-CE2 4.22Å; L192-F196 WeakPolarHBondContact O-CB 3.22Å; L192-F196 WeakPolarHBondContact O-CD2 3.43Å; L192-F196 PolarHBondContact O-N 2.83Å; F196-S198 PolarHBondContact O-N 3.38Å; F196-A199 PolarHBondContact O-N 3.39Å; F196-I200 WeakPolarHBondContact O-CB 3.27Å; F196-I200 VanDerWaalsContact O-CG1 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.49Å; F196-I200 PolarHBondContact O-N 2.74Å; F196-M246 HydrophobicContact CD1-CE 3.78Å; F196-M246 HydrophobicContact CE1-CE 3.89Å; F196-M246 HydrophobicContact CG-CE 4.41Å; F196-V250 HydrophobicContact CZ-CG2 4.41Å |
| 197 | G | 88.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | T193 L194 D195 G201 | T193-G197 PolarHBondContact O-N 3.43Å; L194-G197 PolarHBondContact O-N 3.4Å; D195-G197 VanDerWaalsContact C-N 3.33Å; D195-G197 PolarHBondContact O-N 3.41Å; G197-G201 PolarHBondContact O-N 3.22Å |
| 198 | S | 88.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.3 | 77.8 | 0 | 0 | 0 | 0 | 112 | L194 D195 F196 G201 F202 L242 | L194-S198 WeakPolarHBondContact O-CB 3.42Å; L194-S198 PolarHBondContact O-N 3.26Å; D195-S198 PolarHBondContact O-N 3.36Å; D195-S198 PolarHBondContact O-OG 2.94Å; F196-S198 PolarHBondContact O-N 3.38Å; S198-G201 PolarHBondContact O-N 2.61Å; S198-F202 VanDerWaalsContact O-CB 3.31Å; S198-F202 WeakPolarHBondContact O-CB 3.39Å; S198-F202 PolarHBondContact O-N 3.32Å; S198-L242 WeakPolarHBondContact OG-CD1 3.37Å |
| 199 | A | 88.1 | Confident | 86.2 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D195 F196 F202 C203 M246 | D195-A199 PolarHBondContact O-N 3.04Å; F196-A199 PolarHBondContact O-N 3.39Å; A199-F202 WeakPolarHBondContact O-CB 3.14Å; A199-F202 PolarHBondContact O-N 2.94Å; A199-C203 PolarHBondContact O-N 3.21Å; A199-C203 PolarHBondContact O-SG 2.96Å; A199-C203 VanDerWaalsContact O-SG 3.39Å; A199-M246 HydrophobicContact CB-CE 3.87Å; A199-M246 HydrophobicContact CB-SD 3.5Å; A199-M246 VanDerWaalsContact CB-SD 3.5Å |
| 200 | I | 90.5 | Very high | 86.2 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 54% | 0.538 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 176 | -69.7 | 166.4 | 0 | 0 | 0 | 109.9 | F196 F202 C203 I204 | F196-I200 WeakPolarHBondContact O-CB 3.27Å; F196-I200 VanDerWaalsContact O-CG1 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.49Å; F196-I200 PolarHBondContact O-N 2.74Å; I200-F202 VanDerWaalsContact C-N 3.28Å; I200-F202 PolarHBondContact O-N 3.36Å; I200-C203 WeakPolarHBondContact O-CB 3.39Å; I200-C203 PolarHBondContact O-N 2.95Å; I200-I204 HydrophobicContact CG2-CD1 3.83Å; I200-I204 HydrophobicContact CG2-CG1 4.45Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.46Å |
| 201 | G | 88.9 | Confident | 86.3 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F127 G197 S198 I204 A205 | F127-G201 WeakPolarHBondContact CE2-O 3.28Å; F127-G201 VanDerWaalsContact CZ-O 3.31Å; F127-G201 WeakPolarHBondContact CZ-O 3.26Å; G197-G201 PolarHBondContact O-N 3.22Å; S198-G201 PolarHBondContact O-N 2.61Å; G201-I204 PolarHBondContact O-N 3.01Å; G201-A205 WeakPolarHBondContact O-CB 3.18Å; G201-A205 PolarHBondContact O-N 3.38Å |
| 202 | F | 88.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 174.7 | -167.5 | -83.7 | 0 | 0 | 0 | 112.5 | V123 S198 A199 I200 I204 A205 M206 L235 I238 F239 L242 | V123-F202 HydrophobicContact CG2-CB 4.23Å; V123-F202 HydrophobicContact CG2-CD2 4.48Å; S198-F202 VanDerWaalsContact O-CB 3.31Å; S198-F202 WeakPolarHBondContact O-CB 3.39Å; S198-F202 PolarHBondContact O-N 3.32Å; A199-F202 WeakPolarHBondContact O-CB 3.14Å; A199-F202 PolarHBondContact O-N 2.94Å; I200-F202 VanDerWaalsContact C-N 3.28Å; I200-F202 PolarHBondContact O-N 3.36Å; F202-I204 PolarHBondContact O-N 3.28Å; F202-A205 PolarHBondContact O-N 3.13Å; F202-M206 HydrophobicContact CD1-CE 3.89Å; F202-M206 HydrophobicContact CD1-CG 4.12Å; F202-M206 HydrophobicContact CD1-SD 4.23Å; F202-M206 HydrophobicContact CE1-CE 3.85Å; F202-M206 HydrophobicContact CE1-CG 3.75Å; F202-M206 HydrophobicContact CE1-SD 3.64Å; F202-M206 PolarHBondContact O-N 2.98Å; F202-L235 HydrophobicContact CD1-CD2 4.42Å; F202-L235 HydrophobicContact CD2-CD2 3.67Å; F202-L235 HydrophobicContact CE1-CB 4.45Å; F202-L235 HydrophobicContact CE1-CD2 4.01Å; F202-L235 HydrophobicContact CE2-CB 4.1Å; F202-L235 HydrophobicContact CE2-CD2 3.22Å; F202-L235 HydrophobicContact CE2-CG 4.22Å; F202-L235 HydrophobicContact CG-CD2 4.24Å; F202-L235 HydrophobicContact CZ-CB 3.62Å; F202-L235 HydrophobicContact CZ-CD2 3.38Å; F202-L235 HydrophobicContact CZ-CG 4.07Å; F202-L235 VanDerWaalsContact CZ-O 3.27Å; F202-L235 WeakPolarHBondContact CZ-O 3.45Å; F202-I238 HydrophobicContact CE2-CB 4.44Å; F202-F239 AromaticContact CD1-CD2 3.76Å; F202-F239 HydrophobicContact CD1-CD2 3.76Å; F202-F239 HydrophobicContact CD1-CE2 4.27Å; F202-F239 HydrophobicContact CE1-CB 3.87Å; F202-F239 AromaticContact CE1-CD2 3.28Å; F202-F239 HydrophobicContact CE1-CD2 3.28Å; F202-F239 HydrophobicContact CE1-CE2 4.06Å; F202-F239 AromaticContact CE1-CG 3.89Å; F202-F239 HydrophobicContact CE1-CG 3.89Å; F202-F239 HydrophobicContact CE2-CB 4.44Å; F202-F239 HydrophobicContact CZ-CB 3.6Å; F202-F239 AromaticContact CZ-CD2 3.9Å; F202-F239 HydrophobicContact CZ-CD2 3.9Å; F202-F239 HydrophobicContact CZ-CG 4.16Å; F202-L242 HydrophobicContact CB-CD2 4Å; F202-L242 HydrophobicContact CD2-CD2 4.13Å; F202-L242 HydrophobicContact CG-CD2 4Å |
| 203 | C | 89.2 | Confident | 85.7 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.5 | -74.7 | 0 | 0 | 0 | 0 | 112 | A199 I200 M206 I207 | A199-C203 PolarHBondContact O-N 3.21Å; A199-C203 PolarHBondContact O-SG 2.96Å; A199-C203 VanDerWaalsContact O-SG 3.39Å; I200-C203 WeakPolarHBondContact O-CB 3.39Å; I200-C203 PolarHBondContact O-N 2.95Å; C203-M206 PolarHBondContact O-N 3.35Å; C203-I207 VanDerWaalsContact O-CG1 3.29Å; C203-I207 WeakPolarHBondContact O-CG1 3.15Å; C203-I207 PolarHBondContact O-N 3.42Å |
| 204 | I | 89.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.5 | -67.1 | 167.3 | 0 | 0 | 0 | 110 | F127 I200 G201 F202 M206 I207 L208 | F127-I204 HydrophobicContact CE1-CG2 3.96Å; F127-I204 HydrophobicContact CZ-CB 3.99Å; F127-I204 HydrophobicContact CZ-CG2 3.72Å; I200-I204 HydrophobicContact CG2-CD1 3.83Å; I200-I204 HydrophobicContact CG2-CG1 4.45Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.46Å; G201-I204 PolarHBondContact O-N 3.01Å; F202-I204 PolarHBondContact O-N 3.28Å; I204-M206 VanDerWaalsContact C-N 3.33Å; I204-M206 PolarHBondContact O-N 3.02Å; I204-I207 PolarHBondContact O-N 3.44Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 HydrophobicContact CG2-CG 4.32Å; I204-L208 WeakPolarHBondContact O-CG 3.31Å; I204-L208 PolarHBondContact O-N 3.22Å |
| 205 | A | 85.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T126 F127 G201 F202 L208 Q209 L235 | T126-A205 HydrophobicContact CG2-CB 4.42Å; F127-A205 HydrophobicContact CE1-CB 4.41Å; F127-A205 HydrophobicContact CE2-CB 4.48Å; F127-A205 HydrophobicContact CZ-CB 4.09Å; G201-A205 WeakPolarHBondContact O-CB 3.18Å; G201-A205 PolarHBondContact O-N 3.38Å; F202-A205 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 3.09Å; A205-Q209 VanDerWaalsContact O-CB 3.28Å; A205-Q209 WeakPolarHBondContact O-CB 3.3Å; A205-Q209 PolarHBondContact O-N 3.33Å; A205-L235 HydrophobicContact CB-CD2 4.1Å |
| 206 | M | 84.8 | Confident | 83.6 | Confident | 66 Ų | 66 | 65 Ų | 65 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.6 | -76.9 | -160.5 | -65.1 | 0 | 0 | 113 | F202 C203 I204 Q209 K210 L235 F239 | F202-M206 HydrophobicContact CD1-CE 3.89Å; F202-M206 HydrophobicContact CD1-CG 4.12Å; F202-M206 HydrophobicContact CD1-SD 4.23Å; F202-M206 HydrophobicContact CE1-CE 3.85Å; F202-M206 HydrophobicContact CE1-CG 3.75Å; F202-M206 HydrophobicContact CE1-SD 3.64Å; F202-M206 PolarHBondContact O-N 2.98Å; C203-M206 PolarHBondContact O-N 3.35Å; I204-M206 VanDerWaalsContact C-N 3.33Å; I204-M206 PolarHBondContact O-N 3.02Å; M206-Q209 PolarHBondContact O-N 3.05Å; M206-K210 WeakPolarHBondContact O-CB 3.5Å; M206-K210 PolarHBondContact O-N 3.31Å; M206-L235 HydrophobicContact CG-CD1 4.05Å; M206-L235 HydrophobicContact CG-CD2 4.46Å; M206-F239 HydrophobicContact CE-CE2 4.37Å |
| 207 | I | 87.2 | Confident | 82.3 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 60% | 0.6 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 178.9 | -70.3 | 165.1 | 0 | 0 | 0 | 110.1 | C203 I204 K210 R211 | C203-I207 VanDerWaalsContact O-CG1 3.29Å; C203-I207 WeakPolarHBondContact O-CG1 3.15Å; C203-I207 PolarHBondContact O-N 3.42Å; I204-I207 PolarHBondContact O-N 3.44Å; I207-K210 PolarHBondContact O-N 3.45Å; I207-R211 WeakPolarHBondContact O-CB 3.35Å; I207-R211 PolarHBondContact O-N 2.88Å |
| 208 | L | 83.9 | Confident | 80.9 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 177.8 | -66.4 | 173.9 | 0 | 0 | 0 | 111.3 | F127 F131 I204 A205 K210 R211 D212 | F127-L208 HydrophobicContact CE1-CD1 3.95Å; F131-L208 HydrophobicContact CZ-CD1 4.22Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 HydrophobicContact CG2-CG 4.32Å; I204-L208 WeakPolarHBondContact O-CG 3.31Å; I204-L208 PolarHBondContact O-N 3.22Å; A205-L208 PolarHBondContact O-N 3.09Å; L208-K210 VanDerWaalsContact C-N 3.35Å; L208-K210 PolarHBondContact O-N 3.45Å; L208-R211 WeakPolarHBondContact O-CB 3.36Å; L208-R211 PolarHBondContact O-N 2.91Å; L208-D212 WeakPolarHBondContact O-CB 3.49Å; L208-D212 PolarHBondContact O-N 3.44Å |
| 209 | Q | 83.3 | Confident | 79.3 | Confident | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.7 | -168.3 | -136.3 | -27.9 | 0 | 0 | 111.6 | A205 M206 R211 D212 M213 E228 L231 H232 L235 | A205-Q209 VanDerWaalsContact O-CB 3.28Å; A205-Q209 WeakPolarHBondContact O-CB 3.3Å; A205-Q209 PolarHBondContact O-N 3.33Å; M206-Q209 PolarHBondContact O-N 3.05Å; Q209-R211 VanDerWaalsContact C-N 3.32Å; Q209-R211 PolarHBondContact O-N 3.08Å; Q209-D212 PolarHBondContact O-N 3.27Å; Q209-M213 WeakPolarHBondContact O-CB 3.46Å; Q209-M213 VanDerWaalsContact O-CG 3.27Å; Q209-M213 WeakPolarHBondContact O-CG 3.34Å; Q209-M213 PolarHBondContact O-N 3.47Å; Q209-E228 WeakPolarHBondContact CA-OE2 3.33Å; Q209-E228 WeakPolarHBondContact CG-OE2 3.35Å; Q209-L231 HydrophobicContact CB-CD2 3.85Å; Q209-L231 HydrophobicContact CB-CG 4.31Å; Q209-L231 HydrophobicContact CG-CD2 3.83Å; Q209-L231 HydrophobicContact CG-CG 3.98Å; Q209-H232 PolarHBondContact NE2-ND1 3.1Å; Q209-H232 PolarHBondContact OE1-ND1 3.33Å; Q209-L235 HydrophobicContact CB-CD1 4.39Å |
| 210 | K | 83.1 | Confident | 77.7 | Confident | 139 Ų | 139 | 76.4 Ų | 76.4 | 60% | 0.604 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.7 | -35.8 | 177.9 | -172.6 | 176.9 | -177 | 178.2 | 0 | 112.2 | M206 I207 L208 K214 | M206-K210 WeakPolarHBondContact O-CB 3.5Å; M206-K210 PolarHBondContact O-N 3.31Å; I207-K210 PolarHBondContact O-N 3.45Å; L208-K210 VanDerWaalsContact C-N 3.35Å; L208-K210 PolarHBondContact O-N 3.45Å; K210-K214 WeakPolarHBondContact O-CG 3.44Å |
| 211 | R | 82.7 | Confident | 76.5 | Confident | 160 Ų | 160 | 74.7 Ų | 74.7 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.1 | -47.1 | 175.2 | -171.9 | -174.3 | 70.8 | 175.6 | 1.3 | 110.7 | I207 L208 Q209 K214 | I207-R211 WeakPolarHBondContact O-CB 3.35Å; I207-R211 PolarHBondContact O-N 2.88Å; L208-R211 WeakPolarHBondContact O-CB 3.36Å; L208-R211 PolarHBondContact O-N 2.91Å; Q209-R211 VanDerWaalsContact C-N 3.32Å; Q209-R211 PolarHBondContact O-N 3.08Å; R211-K214 WeakPolarHBondContact O-CB 3.38Å; R211-K214 PolarHBondContact O-N 2.95Å |
| 212 | D | 78.9 | Confident | 75.5 | Confident | 24 Ų | 24 | 78.8 Ų | 78.8 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.1 | -37.4 | -176 | -61.1 | -19.6 | 0 | 0 | 0 | 110.9 | K130 L208 Q209 K214 D215 L218 E228 | K130-D212 WeakPolarHBondContact CE-OD2 3.48Å; K130-D212 IonicContact NZ-OD2 3.83Å; K130-D212 PolarHBondContact NZ-OD2 3.26Å; L208-D212 WeakPolarHBondContact O-CB 3.49Å; L208-D212 PolarHBondContact O-N 3.44Å; Q209-D212 PolarHBondContact O-N 3.27Å; D212-K214 PolarHBondContact O-N 3.49Å; D212-K214 VanDerWaalsContact O-N 3.07Å; D212-D215 WeakPolarHBondContact O-CB 3.47Å; D212-D215 PolarHBondContact O-N 3.08Å; D212-L218 HydrophobicContact CB-CD1 4.35Å; D212-L218 WeakPolarHBondContact O-CD1 3.37Å; D212-E228 HydrophobicContact CB-CG 4.36Å |
| 213 | M | 72.8 | Confident | 74.4 | Confident | 99 Ų | 99 | 82.7 Ų | 82.7 | 49% | 0.488 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.3 | 173.2 | -74.3 | -71.1 | -69.2 | 0 | 0 | 114.5 | Q209 L218 E228 | Q209-M213 WeakPolarHBondContact O-CB 3.46Å; Q209-M213 VanDerWaalsContact O-CG 3.27Å; Q209-M213 WeakPolarHBondContact O-CG 3.34Å; Q209-M213 PolarHBondContact O-N 3.47Å; M213-L218 HydrophobicContact SD-CD2 4.25Å; M213-E228 HydrophobicContact SD-CB 4.02Å |
| 214 | K | 76.3 | Confident | 73.4 | Confident | 157 Ų | 157 | 82.7 Ų | 82.7 | 68% | 0.683 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.8 | 173.8 | -68.9 | 174.6 | 177.8 | -169.5 | 0 | 113.3 | K210 R211 D212 P216 | K210-K214 WeakPolarHBondContact O-CG 3.44Å; R211-K214 WeakPolarHBondContact O-CB 3.38Å; R211-K214 PolarHBondContact O-N 2.95Å; D212-K214 PolarHBondContact O-N 3.49Å; D212-K214 VanDerWaalsContact O-N 3.07Å; K214-P216 WeakPolarHBondContact O-CD 3.38Å |
| 215 | D | 73.7 | Confident | 72.5 | Confident | 47 Ų | 47 | 84 Ų | 84 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | trans | -67.6 | 118.7 | -178.9 | -177.8 | -1.5 | 0 | 0 | 0 | 109.9 | D212 V217 L218 K224 | D212-D215 WeakPolarHBondContact O-CB 3.47Å; D212-D215 PolarHBondContact O-N 3.08Å; D215-V217 PolarHBondContact O-N 3.34Å; D215-V217 VanDerWaalsContact O-N 3.17Å; D215-V217 VanDerWaalsContact OD1-CB 3.23Å; D215-V217 WeakPolarHBondContact OD1-CB 3.46Å; D215-V217 VanDerWaalsContact OD1-CG2 3.3Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.34Å; D215-V217 PolarHBondContact OD1-N 3.43Å; D215-L218 HydrophobicContact CB-CD1 4.24Å; D215-L218 WeakPolarHBondContact O-CB 3.44Å; D215-L218 PolarHBondContact O-N 2.82Å; D215-K224 IonicContact OD2-NZ 2.58Å; D215-K224 PolarHBondContact OD2-NZ 3.03Å | ||
| 216 | P | 63.2 | Low | 71.9 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -61.9 | -23.6 | 177.7 | 25.8 | -33.9 | 0 | 0 | 0 | 112.3 | K214 L218 K219 F220 | K214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-L218 PolarHBondContact O-N 2.81Å; P216-K219 WeakPolarHBondContact O-CB 3.41Å; P216-K219 PolarHBondContact O-N 3.22Å; P216-F220 WeakPolarHBondContact O-CD2 3.11Å |
| 217 | V | 61.5 | Low | 71.3 | Confident | 84 Ų | 84 | 88.6 Ų | 88.6 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -67.4 | -26.2 | 176.9 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | D215 K219 F220 N221 | D215-V217 PolarHBondContact O-N 3.34Å; D215-V217 VanDerWaalsContact O-N 3.17Å; D215-V217 VanDerWaalsContact OD1-CB 3.23Å; D215-V217 WeakPolarHBondContact OD1-CB 3.46Å; D215-V217 VanDerWaalsContact OD1-CG2 3.3Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.34Å; D215-V217 PolarHBondContact OD1-N 3.43Å; V217-K219 PolarHBondContact O-N 3.31Å; V217-F220 PolarHBondContact O-N 3.14Å; V217-N221 PolarHBondContact O-N 3.5Å |
| 218 | L | 59 | Low | 70.7 | Confident | 10 Ų | 10 | 83.5 Ų | 83.5 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -64 | -22 | 176.2 | -122.4 | 98.4 | 0 | 0 | 0 | 112.9 | D212 M213 D215 P216 F220 K224 K225 E228 | D212-L218 HydrophobicContact CB-CD1 4.35Å; D212-L218 WeakPolarHBondContact O-CD1 3.37Å; M213-L218 HydrophobicContact SD-CD2 4.25Å; D215-L218 HydrophobicContact CB-CD1 4.24Å; D215-L218 WeakPolarHBondContact O-CB 3.44Å; D215-L218 PolarHBondContact O-N 2.82Å; P216-L218 PolarHBondContact O-N 2.81Å; L218-F220 PolarHBondContact O-N 2.97Å; L218-K224 HydrophobicContact CD1-CD 3.48Å; L218-K224 VanDerWaalsContact CD1-CD 3.48Å; L218-K224 HydrophobicContact CD1-CG 3.76Å; L218-K224 HydrophobicContact CG-CD 4.17Å; L218-K224 HydrophobicContact CG-CG 4.14Å; L218-K225 HydrophobicContact CD2-CB 4.39Å; L218-E228 HydrophobicContact CD1-CG 4.46Å; L218-E228 HydrophobicContact CD2-CB 3.98Å; L218-E228 HydrophobicContact CD2-CG 3.83Å |
| 219 | K | 55.4 | Low | 70.4 | Confident | 154 Ų | 154 | 85.3 Ų | 85.3 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -63.9 | -28.7 | 173.1 | -66 | -176 | 176.7 | -177.3 | 0 | 112.3 | P216 V217 | P216-K219 WeakPolarHBondContact O-CB 3.41Å; P216-K219 PolarHBondContact O-N 3.22Å; V217-K219 PolarHBondContact O-N 3.31Å |
| 220 | F | 54.1 | Low | 69.9 | Low | 155 Ų | 155 | 86.9 Ų | 86.9 | 68% | 0.68 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -12.8 | -170.3 | -58.2 | -75.8 | 0 | 0 | 0 | 113.9 | P216 V217 L218 | P216-F220 WeakPolarHBondContact O-CD2 3.11Å; V217-F220 PolarHBondContact O-N 3.14Å; L218-F220 PolarHBondContact O-N 2.97Å |
| 221 | N | 65.6 | Low | 69.7 | Low | 68 Ų | 68 | 81 Ų | 81 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -112.5 | 98.9 | 177.8 | -172.4 | -28.8 | 0 | 0 | 0 | 111.2 | V217 T223 K224 K225 | V217-N221 PolarHBondContact O-N 3.5Å; N221-T223 VanDerWaalsContact C-N 3.28Å; N221-T223 PolarHBondContact O-N 3.42Å; N221-T223 PolarHBondContact OD1-N 3.02Å; N221-T223 VanDerWaalsContact OD1-N 3.13Å; N221-K224 HydrophobicContact CB-CB 3.89Å; N221-K224 PolarHBondContact O-N 2.87Å; N221-K224 PolarHBondContact OD1-N 3.2Å; N221-K225 WeakPolarHBondContact O-CB 3.24Å; N221-K225 PolarHBondContact O-N 3.08Å | ||
| 222 | I | 66.6 | Low | 69.7 | Low | 96 Ų | 96 | 76.5 Ų | 76.5 | 49% | 0.492 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.1 | -42.6 | -179.1 | -61.8 | 173.8 | 0 | 0 | 0 | 111.2 | K225 H226 L312 | I222-K225 PolarHBondContact O-N 3.28Å; I222-H226 WeakPolarHBondContact O-CB 3.47Å; I222-H226 PolarHBondContact O-N 3.41Å; I222-L312 HydrophobicContact CD1-CD2 3.66Å |
| 223 | T | 66.2 | Low | 69.7 | Low | 87 Ų | 87 | 77.6 Ų | 77.6 | 53% | 0.534 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | -178.9 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | N221 R227 | N221-T223 VanDerWaalsContact C-N 3.28Å; N221-T223 PolarHBondContact O-N 3.42Å; N221-T223 PolarHBondContact OD1-N 3.02Å; N221-T223 VanDerWaalsContact OD1-N 3.13Å; T223-R227 WeakPolarHBondContact O-CG 2.95Å; T223-R227 PolarHBondContact O-N 3.39Å; T223-R227 PolarHBondContact O-NE 3.01Å |
| 224 | K | 68.4 | Low | 70.1 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 27% | 0.27 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 175.5 | -164.8 | -178.4 | 178.5 | -167.5 | 0 | 110.5 | D215 L218 N221 R227 E228 | D215-K224 IonicContact OD2-NZ 2.58Å; D215-K224 PolarHBondContact OD2-NZ 3.03Å; L218-K224 HydrophobicContact CD1-CD 3.48Å; L218-K224 VanDerWaalsContact CD1-CD 3.48Å; L218-K224 HydrophobicContact CD1-CG 3.76Å; L218-K224 HydrophobicContact CG-CD 4.17Å; L218-K224 HydrophobicContact CG-CG 4.14Å; N221-K224 HydrophobicContact CB-CB 3.89Å; N221-K224 PolarHBondContact O-N 2.87Å; N221-K224 PolarHBondContact OD1-N 3.2Å; K224-R227 PolarHBondContact O-N 3.46Å; K224-E228 PolarHBondContact O-N 3.42Å; K224-E228 VanDerWaalsContact O-N 3.1Å |
| 225 | K | 70.8 | Confident | 70.5 | Confident | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.457 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.3 | -173.7 | 178.9 | 177.8 | -176.3 | 0 | 112.7 | L218 N221 I222 R227 E228 M229 | L218-K225 HydrophobicContact CD2-CB 4.39Å; N221-K225 WeakPolarHBondContact O-CB 3.24Å; N221-K225 PolarHBondContact O-N 3.08Å; I222-K225 PolarHBondContact O-N 3.28Å; K225-R227 PolarHBondContact O-N 3.03Å; K225-E228 PolarHBondContact O-N 3.34Å; K225-M229 HydrophobicContact CG-CE 4.41Å; K225-M229 WeakPolarHBondContact O-CG 3.32Å; K225-M229 PolarHBondContact O-N 3.35Å; K225-M229 VanDerWaalsContact O-N 3.08Å |
| 226 | H | 72.6 | Confident | 71 | Confident | 92 Ų | 92 | 65 Ų | 65 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 177.5 | -170.8 | 77.8 | 0 | 0 | 0 | 111.6 | I222 E228 M229 E230 | I222-H226 WeakPolarHBondContact O-CB 3.47Å; I222-H226 PolarHBondContact O-N 3.41Å; H226-E228 PolarHBondContact O-N 3.24Å; H226-M229 WeakPolarHBondContact O-CB 3.29Å; H226-M229 PolarHBondContact O-N 3.39Å; H226-E230 IonicContact CD2-OE2 3.1Å; H226-E230 IonicContact NE2-OE1 3.93Å; H226-E230 WeakPolarHBondContact O-CG 3.34Å; H226-E230 PolarHBondContact O-N 3.27Å |
| 227 | R | 71.4 | Confident | 72.1 | Confident | 73 Ų | 73 | 61 Ų | 61 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 178.7 | -77.6 | 179.8 | -81.8 | -177.9 | -9.3 | 113.8 | Q132 T223 K224 K225 M229 E230 L231 | Q132-R227 VanDerWaalsContact CG-NH1 3.31Å; T223-R227 WeakPolarHBondContact O-CG 2.95Å; T223-R227 PolarHBondContact O-N 3.39Å; T223-R227 PolarHBondContact O-NE 3.01Å; K224-R227 PolarHBondContact O-N 3.46Å; K225-R227 PolarHBondContact O-N 3.03Å; R227-M229 VanDerWaalsContact C-N 3.31Å; R227-M229 PolarHBondContact O-N 3.39Å; R227-E230 PolarHBondContact O-N 3.12Å; R227-L231 WeakPolarHBondContact O-CB 3.36Å; R227-L231 PolarHBondContact O-N 2.78Å |
| 228 | E | 76.1 | Confident | 73.3 | Confident | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -32.6 | 176.3 | -71.7 | -61.5 | 144.2 | 0 | 0 | 112.3 | K130 Q209 D212 M213 L218 K224 K225 H226 H232 | K130-E228 IonicContact NZ-OE1 2.66Å; K130-E228 PolarHBondContact NZ-OE1 3.14Å; K130-E228 IonicContact NZ-OE2 3.01Å; K130-E228 PolarHBondContact NZ-OE2 2.67Å; Q209-E228 WeakPolarHBondContact CA-OE2 3.33Å; Q209-E228 WeakPolarHBondContact CG-OE2 3.35Å; D212-E228 HydrophobicContact CB-CG 4.36Å; M213-E228 HydrophobicContact SD-CB 4.02Å; L218-E228 HydrophobicContact CD1-CG 4.46Å; L218-E228 HydrophobicContact CD2-CB 3.98Å; L218-E228 HydrophobicContact CD2-CG 3.83Å; K224-E228 PolarHBondContact O-N 3.42Å; K224-E228 VanDerWaalsContact O-N 3.1Å; K225-E228 PolarHBondContact O-N 3.34Å; H226-E228 PolarHBondContact O-N 3.24Å; E228-H232 PolarHBondContact O-N 3.34Å |
| 229 | M | 76 | Confident | 74.8 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 172 | -70.9 | -170.7 | -60.1 | 0 | 0 | 112 | K225 H226 R227 H232 R233 | K225-M229 HydrophobicContact CG-CE 4.41Å; K225-M229 WeakPolarHBondContact O-CG 3.32Å; K225-M229 PolarHBondContact O-N 3.35Å; K225-M229 VanDerWaalsContact O-N 3.08Å; H226-M229 WeakPolarHBondContact O-CB 3.29Å; H226-M229 PolarHBondContact O-N 3.39Å; R227-M229 VanDerWaalsContact C-N 3.31Å; R227-M229 PolarHBondContact O-N 3.39Å; M229-H232 VanDerWaalsContact O-CB 3.32Å; M229-H232 WeakPolarHBondContact O-CB 3.25Å; M229-H232 PolarHBondContact O-N 3.47Å; M229-R233 VanDerWaalsContact O-CG 3.31Å; M229-R233 WeakPolarHBondContact O-CG 2.93Å; M229-R233 PolarHBondContact O-N 3.4Å; M229-R233 VanDerWaalsContact O-N 3.1Å |
| 230 | E | 74.3 | Confident | 76.5 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 174.3 | -77.1 | -170.5 | 127.2 | 0 | 0 | 112.2 | Q54 H226 R227 H232 R233 T234 | Q54-E230 VanDerWaalsContact NE2-CB 3.31Å; Q54-E230 PolarHBondContact NE2-OE1 2.94Å; Q54-E230 PolarHBondContact NE2-OE2 3.43Å; H226-E230 IonicContact CD2-OE2 3.1Å; H226-E230 IonicContact NE2-OE1 3.93Å; H226-E230 WeakPolarHBondContact O-CG 3.34Å; H226-E230 PolarHBondContact O-N 3.27Å; R227-E230 PolarHBondContact O-N 3.12Å; E230-H232 VanDerWaalsContact C-N 3.28Å; E230-H232 PolarHBondContact O-N 2.92Å; E230-R233 WeakPolarHBondContact O-CB 3.4Å; E230-R233 PolarHBondContact O-N 2.85Å; E230-R233 VanDerWaalsContact O-N 3.09Å; E230-T234 PolarHBondContact O-N 3.32Å; E230-T234 PolarHBondContact O-OG1 3.42Å |
| 231 | L | 79.2 | Confident | 78.3 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.5 | -47.2 | 172.1 | 174.1 | 57.6 | 0 | 0 | 0 | 111.1 | T126 K130 Q209 R227 R233 T234 L235 | T126-L231 HydrophobicContact CG2-CD1 2.99Å; T126-L231 HydrophobicContact CG2-CG 4.49Å; K130-L231 HydrophobicContact CD-CD2 3.97Å; K130-L231 HydrophobicContact CG-CD2 4.43Å; Q209-L231 HydrophobicContact CB-CD2 3.85Å; Q209-L231 HydrophobicContact CB-CG 4.31Å; Q209-L231 HydrophobicContact CG-CD2 3.83Å; Q209-L231 HydrophobicContact CG-CG 3.98Å; R227-L231 WeakPolarHBondContact O-CB 3.36Å; R227-L231 PolarHBondContact O-N 2.78Å; L231-R233 VanDerWaalsContact C-N 3.29Å; L231-R233 PolarHBondContact O-N 2.93Å; L231-T234 PolarHBondContact O-N 3.11Å; L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.09Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 VanDerWaalsContact O-CG 3.23Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 2.93Å |
| 232 | H | 81.6 | Confident | 79.6 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57 | -42.1 | 177.2 | -164.6 | 42.9 | 0 | 0 | 0 | 113.2 | Q209 E228 M229 E230 L235 I236 | Q209-H232 PolarHBondContact NE2-ND1 3.1Å; Q209-H232 PolarHBondContact OE1-ND1 3.33Å; E228-H232 PolarHBondContact O-N 3.34Å; M229-H232 VanDerWaalsContact O-CB 3.32Å; M229-H232 WeakPolarHBondContact O-CB 3.25Å; M229-H232 PolarHBondContact O-N 3.47Å; E230-H232 VanDerWaalsContact C-N 3.28Å; E230-H232 PolarHBondContact O-N 2.92Å; H232-L235 PolarHBondContact O-N 3.31Å; H232-I236 VanDerWaalsContact NE2-CD1 3.27Å; H232-I236 WeakPolarHBondContact NE2-CD1 3.05Å; H232-I236 WeakPolarHBondContact O-CG1 3.45Å; H232-I236 PolarHBondContact O-N 3.42Å |
| 233 | R | 78.6 | Confident | 80.8 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 18% | 0.181 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | -179.2 | -69.1 | 170.9 | -177.8 | 167.5 | 14.1 | 111.2 | M229 E230 L231 L235 I236 L237 R297 V298 P300 | M229-R233 VanDerWaalsContact O-CG 3.31Å; M229-R233 WeakPolarHBondContact O-CG 2.93Å; M229-R233 PolarHBondContact O-N 3.4Å; M229-R233 VanDerWaalsContact O-N 3.1Å; E230-R233 WeakPolarHBondContact O-CB 3.4Å; E230-R233 PolarHBondContact O-N 2.85Å; E230-R233 VanDerWaalsContact O-N 3.09Å; L231-R233 VanDerWaalsContact C-N 3.29Å; L231-R233 PolarHBondContact O-N 2.93Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 2.87Å; R233-I236 PolarHBondContact O-N 3.04Å; R233-L237 WeakPolarHBondContact O-CB 3.37Å; R233-L237 PolarHBondContact O-N 2.89Å; R233-R297 WeakPolarHBondContact CD-O 3.38Å; R233-R297 WeakPolarHBondContact CG-O 3.25Å; R233-R297 PolarHBondContact NE-O 3.45Å; R233-V298 WeakPolarHBondContact CD-O 3.42Å; R233-P300 VanDerWaalsContact NH2-CD 3.31Å |
| 234 | T | 81.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 177.3 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | Q54 L57 E230 L231 L237 I238 | Q54-T234 PolarHBondContact OE1-OG1 3.47Å; L57-T234 HydrophobicContact CD2-CG2 4.19Å; E230-T234 PolarHBondContact O-N 3.32Å; E230-T234 PolarHBondContact O-OG1 3.42Å; L231-T234 PolarHBondContact O-N 3.11Å; T234-L237 PolarHBondContact O-N 3.11Å; T234-I238 HydrophobicContact CG2-CD1 3.5Å; T234-I238 WeakPolarHBondContact O-CB 3.47Å; T234-I238 VanDerWaalsContact O-CD1 3.32Å; T234-I238 WeakPolarHBondContact O-CD1 3.29Å; T234-I238 VanDerWaalsContact O-CG1 3.28Å; T234-I238 WeakPolarHBondContact O-CG1 3.48Å; T234-I238 PolarHBondContact O-N 3.11Å; T234-I238 VanDerWaalsContact O-N 3.1Å |
| 235 | L | 83.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -51 | 176.7 | -65.4 | 169.4 | 0 | 0 | 0 | 111.7 | F202 A205 M206 Q209 L231 H232 R233 L237 I238 F239 | F202-L235 HydrophobicContact CD1-CD2 4.42Å; F202-L235 HydrophobicContact CD2-CD2 3.67Å; F202-L235 HydrophobicContact CE1-CB 4.45Å; F202-L235 HydrophobicContact CE1-CD2 4.01Å; F202-L235 HydrophobicContact CE2-CB 4.1Å; F202-L235 HydrophobicContact CE2-CD2 3.22Å; F202-L235 HydrophobicContact CE2-CG 4.22Å; F202-L235 HydrophobicContact CG-CD2 4.24Å; F202-L235 HydrophobicContact CZ-CB 3.62Å; F202-L235 HydrophobicContact CZ-CD2 3.38Å; F202-L235 HydrophobicContact CZ-CG 4.07Å; F202-L235 VanDerWaalsContact CZ-O 3.27Å; F202-L235 WeakPolarHBondContact CZ-O 3.45Å; A205-L235 HydrophobicContact CB-CD2 4.1Å; M206-L235 HydrophobicContact CG-CD1 4.05Å; M206-L235 HydrophobicContact CG-CD2 4.46Å; Q209-L235 HydrophobicContact CB-CD1 4.39Å; L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.09Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 VanDerWaalsContact O-CG 3.23Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 2.93Å; H232-L235 PolarHBondContact O-N 3.31Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 2.87Å; L235-L237 PolarHBondContact O-N 3.19Å; L235-I238 PolarHBondContact O-N 2.54Å; L235-F239 VanDerWaalsContact O-CB 3.31Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 PolarHBondContact O-N 2.63Å |
| 236 | I | 84.4 | Confident | 84.3 | Confident | 25 Ų | 25 | 33.5 Ų | 33.5 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 177.9 | -74.8 | 171.6 | 0 | 0 | 0 | 111.6 | H232 R233 P240 T290 W294 | H232-I236 VanDerWaalsContact NE2-CD1 3.27Å; H232-I236 WeakPolarHBondContact NE2-CD1 3.05Å; H232-I236 WeakPolarHBondContact O-CG1 3.45Å; H232-I236 PolarHBondContact O-N 3.42Å; R233-I236 PolarHBondContact O-N 3.04Å; I236-P240 VanDerWaalsContact O-CD 3.29Å; I236-P240 WeakPolarHBondContact O-CD 3.49Å; I236-T290 WeakPolarHBondContact O-CG2 3.46Å; I236-W294 HydrophobicContact CG2-CB 4.04Å; I236-W294 HydrophobicContact CG2-CD2 3.66Å; I236-W294 HydrophobicContact CG2-CE3 4.41Å; I236-W294 HydrophobicContact CG2-CG 3.48Å; I236-W294 VanDerWaalsContact CG2-CG 3.48Å |
| 237 | L | 85.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.7 | -41 | -176.3 | -168 | 58.9 | 0 | 0 | 0 | 111.7 | F48 V53 L57 R233 T234 L235 W287 T290 L291 | F48-L237 HydrophobicContact CE1-CD2 3.71Å; F48-L237 HydrophobicContact CZ-CD1 4.21Å; F48-L237 HydrophobicContact CZ-CD2 3.84Å; F48-L237 HydrophobicContact CZ-CG 4.24Å; V53-L237 HydrophobicContact CG1-CD2 4.2Å; V53-L237 HydrophobicContact CG2-CD2 4.46Å; L57-L237 HydrophobicContact CD2-CD2 3.77Å; R233-L237 WeakPolarHBondContact O-CB 3.37Å; R233-L237 PolarHBondContact O-N 2.89Å; T234-L237 PolarHBondContact O-N 3.11Å; L235-L237 PolarHBondContact O-N 3.19Å; L237-W287 HydrophobicContact CD1-CE3 4.4Å; L237-W287 HydrophobicContact CG-CE3 4.23Å; L237-W287 HydrophobicContact CG-CZ3 4Å; L237-W287 WeakPolarHBondContact O-CZ3 3.44Å; L237-T290 HydrophobicContact CD1-CG2 3.88Å; L237-L291 HydrophobicContact CD1-CD2 3.63Å; L237-L291 HydrophobicContact CD1-CG 3.9Å; L237-L291 HydrophobicContact CD2-CD2 4.28Å |
| 238 | I | 88.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -90.2 | -32.7 | -168 | -65.4 | 162.3 | 0 | 0 | 0 | 112.3 | L57 Y119 V122 F202 T234 L235 P240 N241 L242 W287 | L57-I238 HydrophobicContact CD1-CD1 3.6Å; L57-I238 HydrophobicContact CD1-CG1 4.35Å; L57-I238 HydrophobicContact CD2-CD1 4.19Å; Y119-I238 HydrophobicContact CD1-CG2 3.79Å; Y119-I238 HydrophobicContact CE1-CG2 3.96Å; V122-I238 HydrophobicContact CB-CD1 4.19Å; V122-I238 HydrophobicContact CG1-CD1 3.14Å; V122-I238 HydrophobicContact CG1-CG1 4.25Å; V122-I238 HydrophobicContact CG1-CG2 4.14Å; V122-I238 HydrophobicContact CG2-CD1 3.98Å; F202-I238 HydrophobicContact CE2-CB 4.44Å; T234-I238 HydrophobicContact CG2-CD1 3.5Å; T234-I238 WeakPolarHBondContact O-CB 3.47Å; T234-I238 VanDerWaalsContact O-CD1 3.32Å; T234-I238 WeakPolarHBondContact O-CD1 3.29Å; T234-I238 VanDerWaalsContact O-CG1 3.28Å; T234-I238 WeakPolarHBondContact O-CG1 3.48Å; T234-I238 PolarHBondContact O-N 3.11Å; T234-I238 VanDerWaalsContact O-N 3.1Å; L235-I238 PolarHBondContact O-N 2.54Å; I238-P240 VanDerWaalsContact C-CD 3.49Å; I238-N241 PolarHBondContact O-N 3.46Å; I238-N241 VanDerWaalsContact O-N 3.16Å; I238-L242 PolarHBondContact O-N 3.4Å; I238-W287 HydrophobicContact CB-CH2 4.34Å; I238-W287 HydrophobicContact CG1-CH2 3.98Å; I238-W287 HydrophobicContact CG1-CZ3 4.12Å; I238-W287 HydrophobicContact CG2-CH2 4.47Å |
| 239 | F | 89 | Confident | 87 | Confident | 84 Ų | 84 | 33 Ų | 33 | 37% | 0.368 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -52 | -46.8 | -174.7 | -174.2 | -116.5 | 0 | 0 | 0 | 114.7 | F202 M206 L235 N241 L242 I243 | F202-F239 AromaticContact CD1-CD2 3.76Å; F202-F239 HydrophobicContact CD1-CD2 3.76Å; F202-F239 HydrophobicContact CD1-CE2 4.27Å; F202-F239 HydrophobicContact CE1-CB 3.87Å; F202-F239 AromaticContact CE1-CD2 3.28Å; F202-F239 HydrophobicContact CE1-CD2 3.28Å; F202-F239 HydrophobicContact CE1-CE2 4.06Å; F202-F239 AromaticContact CE1-CG 3.89Å; F202-F239 HydrophobicContact CE1-CG 3.89Å; F202-F239 HydrophobicContact CE2-CB 4.44Å; F202-F239 HydrophobicContact CZ-CB 3.6Å; F202-F239 AromaticContact CZ-CD2 3.9Å; F202-F239 HydrophobicContact CZ-CD2 3.9Å; F202-F239 HydrophobicContact CZ-CG 4.16Å; M206-F239 HydrophobicContact CE-CE2 4.37Å; L235-F239 VanDerWaalsContact O-CB 3.31Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 PolarHBondContact O-N 2.63Å; F239-N241 VanDerWaalsContact C-N 3.31Å; F239-N241 PolarHBondContact O-N 2.99Å; F239-L242 PolarHBondContact O-N 2.89Å; F239-I243 HydrophobicContact CD1-CD1 3.66Å; F239-I243 HydrophobicContact CD2-CD1 4.16Å; F239-I243 HydrophobicContact CD2-CG1 4.43Å; F239-I243 HydrophobicContact CE1-CD1 3.25Å; F239-I243 HydrophobicContact CE1-CG1 4.41Å; F239-I243 HydrophobicContact CE2-CD1 3.81Å; F239-I243 HydrophobicContact CE2-CG1 4.17Å; F239-I243 HydrophobicContact CG-CD1 4.11Å; F239-I243 HydrophobicContact CZ-CD1 3.35Å; F239-I243 HydrophobicContact CZ-CG1 4.17Å; F239-I243 WeakPolarHBondContact O-CG1 3.4Å; F239-I243 PolarHBondContact O-N 3.47Å |
| 240 | P | 91.8 | Very high | 87.8 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 20% | 0.195 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | -177.4 | -21 | 34.9 | 0 | 0 | 0 | 112.7 | I236 I238 L244 M286 T290 | I236-P240 VanDerWaalsContact O-CD 3.29Å; I236-P240 WeakPolarHBondContact O-CD 3.49Å; I238-P240 VanDerWaalsContact C-CD 3.49Å; P240-L244 PolarHBondContact O-N 3.22Å; P240-L244 VanDerWaalsContact O-N 3.14Å; P240-M286 HydrophobicContact CB-CE 3.36Å; P240-T290 HydrophobicContact CG-CG2 4.13Å |
| 241 | N | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.1 | -35.7 | 178.4 | -93.1 | -67.8 | 0 | 0 | 0 | 112.5 | Y119 I238 F239 I243 L244 N245 S283 M286 W287 | Y119-N241 HydrophobicContact CE1-CB 4.42Å; Y119-N241 VanDerWaalsContact OH-C 3.3Å; Y119-N241 PolarHBondContact OH-O 3.4Å; Y119-N241 VanDerWaalsContact OH-O 3.09Å; I238-N241 PolarHBondContact O-N 3.46Å; I238-N241 VanDerWaalsContact O-N 3.16Å; F239-N241 VanDerWaalsContact C-N 3.31Å; F239-N241 PolarHBondContact O-N 2.99Å; N241-I243 VanDerWaalsContact C-N 3.32Å; N241-L244 PolarHBondContact O-N 3.22Å; N241-N245 WeakPolarHBondContact O-CB 3.48Å; N241-N245 PolarHBondContact O-N 2.96Å; N241-S283 VanDerWaalsContact OD1-CA 3.27Å; N241-S283 WeakPolarHBondContact OD1-CA 3.26Å; N241-S283 PolarHBondContact OD1-O 2.86Å; N241-S283 PolarHBondContact OD1-OG 3.42Å; N241-M286 WeakPolarHBondContact ND2-CB 3.11Å; N241-W287 HydrophobicContact CB-CD2 4.29Å; N241-W287 HydrophobicContact CB-CH2 3.76Å; N241-W287 HydrophobicContact CB-CZ2 3.44Å; N241-W287 VanDerWaalsContact CB-CZ2 3.44Å; N241-W287 HydrophobicContact CB-CZ3 4.29Å; N241-W287 VanDerWaalsContact ND2-CG 3.27Å; N241-W287 PolarHBondContact ND2-N 2.95Å; N241-W287 VanDerWaalsContact ND2-N 3.18Å |
| 242 | L | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 171.5 | 173 | 60 | 0 | 0 | 0 | 111.1 | Y119 S198 F202 I238 F239 L244 N245 M246 | Y119-L242 HydrophobicContact CD1-CB 3.83Å; Y119-L242 HydrophobicContact CD1-CD1 3.85Å; Y119-L242 HydrophobicContact CD1-CG 4.37Å; Y119-L242 HydrophobicContact CD2-CD1 4.09Å; Y119-L242 HydrophobicContact CE1-CB 3.83Å; Y119-L242 HydrophobicContact CE1-CD1 4.45Å; Y119-L242 HydrophobicContact CG-CB 4.49Å; Y119-L242 HydrophobicContact CG-CD1 3.66Å; S198-L242 WeakPolarHBondContact OG-CD1 3.37Å; F202-L242 HydrophobicContact CB-CD2 4Å; F202-L242 HydrophobicContact CD2-CD2 4.13Å; F202-L242 HydrophobicContact CG-CD2 4Å; I238-L242 PolarHBondContact O-N 3.4Å; F239-L242 PolarHBondContact O-N 2.89Å; L242-L244 PolarHBondContact O-N 3.44Å; L242-N245 WeakPolarHBondContact O-CB 3.5Å; L242-N245 PolarHBondContact O-N 3.02Å; L242-M246 HydrophobicContact CD1-CG 4.25Å; L242-M246 WeakPolarHBondContact O-CG 3.1Å; L242-M246 PolarHBondContact O-N 3.46Å |
| 243 | I | 92.6 | Very high | 89.3 | Confident | 57 Ų | 57 | 32 Ų | 32 | 29% | 0.292 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.2 | -72.9 | 166.9 | 0 | 0 | 0 | 110.9 | F239 N241 N245 M246 F247 | F239-I243 HydrophobicContact CD1-CD1 3.66Å; F239-I243 HydrophobicContact CD2-CD1 4.16Å; F239-I243 HydrophobicContact CD2-CG1 4.43Å; F239-I243 HydrophobicContact CE1-CD1 3.25Å; F239-I243 HydrophobicContact CE1-CG1 4.41Å; F239-I243 HydrophobicContact CE2-CD1 3.81Å; F239-I243 HydrophobicContact CE2-CG1 4.17Å; F239-I243 HydrophobicContact CG-CD1 4.11Å; F239-I243 HydrophobicContact CZ-CD1 3.35Å; F239-I243 HydrophobicContact CZ-CG1 4.17Å; F239-I243 WeakPolarHBondContact O-CG1 3.4Å; F239-I243 PolarHBondContact O-N 3.47Å; N241-I243 VanDerWaalsContact C-N 3.32Å; I243-N245 VanDerWaalsContact C-N 3.33Å; I243-N245 PolarHBondContact O-N 3.33Å; I243-M246 PolarHBondContact O-N 3.09Å; I243-F247 HydrophobicContact CG2-CD2 3.39Å; I243-F247 HydrophobicContact CG2-CE2 3.31Å; I243-F247 VanDerWaalsContact O-CD2 3.23Å; I243-F247 WeakPolarHBondContact O-CD2 3.15Å; I243-F247 PolarHBondContact O-N 2.88Å |
| 244 | L | 94.5 | Very high | 89.7 | Confident | 34 Ų | 34 | 31.4 Ų | 31.4 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 177.6 | -179.8 | 67.9 | 0 | 0 | 0 | 111.4 | P240 N241 L242 F247 C248 Y279 F282 M286 | P240-L244 PolarHBondContact O-N 3.22Å; P240-L244 VanDerWaalsContact O-N 3.14Å; N241-L244 PolarHBondContact O-N 3.22Å; L242-L244 PolarHBondContact O-N 3.44Å; L244-F247 PolarHBondContact O-N 3.03Å; L244-C248 PolarHBondContact O-N 2.9Å; L244-C248 VanDerWaalsContact O-N 3.1Å; L244-C248 PolarHBondContact O-SG 2.89Å; L244-Y279 HydrophobicContact CD2-CD2 4.09Å; L244-Y279 HydrophobicContact CD2-CE2 4.48Å; L244-Y279 HydrophobicContact CG-CD2 3.97Å; L244-F282 HydrophobicContact CD1-CB 4.24Å; L244-F282 HydrophobicContact CD2-CB 3.58Å; L244-M286 HydrophobicContact CD2-CG 4.06Å |
| 245 | N | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -54.2 | 176 | -168.3 | 70.2 | 0 | 0 | 0 | 110.9 | Y119 D195 N241 L242 I243 F247 C248 Y249 Y279 | Y119-N245 HydrophobicContact CD2-CB 4.25Å; Y119-N245 HydrophobicContact CE2-CB 3.49Å; Y119-N245 VanDerWaalsContact CE2-CB 3.49Å; Y119-N245 VanDerWaalsContact CE2-CG 3.48Å; D195-N245 PolarHBondContact OD1-ND2 3.39Å; N241-N245 WeakPolarHBondContact O-CB 3.48Å; N241-N245 PolarHBondContact O-N 2.96Å; L242-N245 WeakPolarHBondContact O-CB 3.5Å; L242-N245 PolarHBondContact O-N 3.02Å; I243-N245 VanDerWaalsContact C-N 3.33Å; I243-N245 PolarHBondContact O-N 3.33Å; N245-F247 PolarHBondContact O-N 2.83Å; N245-C248 PolarHBondContact O-N 3.37Å; N245-Y249 WeakPolarHBondContact O-CD2 3.49Å; N245-Y249 PolarHBondContact O-N 3.38Å; N245-Y249 WeakPolarHBondContact OD1-CD2 3.37Å; N245-Y249 WeakPolarHBondContact OD1-CE2 3.39Å; N245-Y279 HydrophobicContact CB-CD2 4.09Å; N245-Y279 HydrophobicContact CB-CE2 3.55Å; N245-Y279 WeakPolarHBondContact OD1-CE2 3.38Å |
| 246 | M | 91.5 | Very high | 89.8 | Confident | 33 Ų | 33 | 32.5 Ų | 32.5 | 16% | 0.163 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | -179.8 | -73.6 | -169.5 | 78 | 0 | 0 | 112.4 | D195 F196 A199 L242 I243 C248 Y249 V250 | D195-M246 HydrophobicContact CB-CG 4.21Å; F196-M246 HydrophobicContact CD1-CE 3.78Å; F196-M246 HydrophobicContact CE1-CE 3.89Å; F196-M246 HydrophobicContact CG-CE 4.41Å; A199-M246 HydrophobicContact CB-CE 3.87Å; A199-M246 HydrophobicContact CB-SD 3.5Å; A199-M246 VanDerWaalsContact CB-SD 3.5Å; L242-M246 HydrophobicContact CD1-CG 4.25Å; L242-M246 WeakPolarHBondContact O-CG 3.1Å; L242-M246 PolarHBondContact O-N 3.46Å; I243-M246 PolarHBondContact O-N 3.09Å; M246-C248 VanDerWaalsContact C-N 3.34Å; M246-C248 PolarHBondContact O-N 3.02Å; M246-Y249 PolarHBondContact O-N 3.11Å; M246-V250 WeakPolarHBondContact O-CB 3.4Å; M246-V250 WeakPolarHBondContact O-CG2 3.31Å; M246-V250 PolarHBondContact O-N 3.09Å |
| 247 | F | 93.2 | Very high | 89.7 | Confident | 154 Ų | 154 | 33.8 Ų | 33.8 | 68% | 0.675 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -60.8 | -44.5 | 179.6 | -85.7 | -64.1 | 0 | 0 | 0 | 111.9 | I243 L244 N245 Y251 | I243-F247 HydrophobicContact CG2-CD2 3.39Å; I243-F247 HydrophobicContact CG2-CE2 3.31Å; I243-F247 VanDerWaalsContact O-CD2 3.23Å; I243-F247 WeakPolarHBondContact O-CD2 3.15Å; I243-F247 PolarHBondContact O-N 2.88Å; L244-F247 PolarHBondContact O-N 3.03Å; N245-F247 PolarHBondContact O-N 2.83Å; F247-Y251 WeakPolarHBondContact O-CB 3.36Å; F247-Y251 PolarHBondContact O-N 3.42Å |
| 248 | C | 93.6 | Very high | 89.5 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -51.8 | 177.1 | -70.9 | 0 | 0 | 0 | 0 | 111.1 | L244 N245 M246 V250 Y251 F252 S275 | L244-C248 PolarHBondContact O-N 2.9Å; L244-C248 VanDerWaalsContact O-N 3.1Å; L244-C248 PolarHBondContact O-SG 2.89Å; N245-C248 PolarHBondContact O-N 3.37Å; M246-C248 VanDerWaalsContact C-N 3.34Å; M246-C248 PolarHBondContact O-N 3.02Å; C248-V250 PolarHBondContact O-N 2.65Å; C248-Y251 PolarHBondContact O-N 3.36Å; C248-F252 WeakPolarHBondContact O-CB 3.15Å; C248-F252 PolarHBondContact O-N 3.45Å; C248-S275 WeakPolarHBondContact CA-OG 3.49Å; C248-S275 PolarHBondContact O-OG 3.11Å |
| 249 | Y | 90.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.7 | -33.4 | -175.9 | -83.1 | -80.2 | 0 | 0 | 0 | 113.7 | S112 F115 Q116 D195 N245 M246 F252 A253 V276 | S112-Y249 VanDerWaalsContact CA-OH 3.24Å; S112-Y249 WeakPolarHBondContact CA-OH 3.32Å; S112-Y249 WeakPolarHBondContact CB-OH 3.46Å; S112-Y249 PolarHBondContact O-OH 3.47Å; S112-Y249 VanDerWaalsContact OG-CE1 3.23Å; S112-Y249 WeakPolarHBondContact OG-CE1 3.42Å; S112-Y249 PolarHBondContact OG-OH 3.14Å; F115-Y249 WeakPolarHBondContact CD2-OH 3.3Å; Q116-Y249 VanDerWaalsContact NE2-CD1 3.26Å; Q116-Y249 VanDerWaalsContact NE2-CE1 3.29Å; D195-Y249 WeakPolarHBondContact OD2-CB 3.48Å; N245-Y249 WeakPolarHBondContact O-CD2 3.49Å; N245-Y249 PolarHBondContact O-N 3.38Å; N245-Y249 WeakPolarHBondContact OD1-CD2 3.37Å; N245-Y249 WeakPolarHBondContact OD1-CE2 3.39Å; M246-Y249 PolarHBondContact O-N 3.11Å; Y249-F252 HydrophobicContact CD1-CD1 4.32Å; Y249-F252 HydrophobicContact CE1-CD1 4.49Å; Y249-F252 PolarHBondContact O-N 3.22Å; Y249-A253 WeakPolarHBondContact O-CB 3.34Å; Y249-A253 PolarHBondContact O-N 2.66Å; Y249-V276 HydrophobicContact CE1-CG2 4.23Å |
| 250 | V | 91.3 | Very high | 87.8 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 172 | 170.9 | 0 | 0 | 0 | 0 | 111 | L192 F196 M246 C248 G254 | L192-V250 HydrophobicContact CD2-CB 4.32Å; L192-V250 HydrophobicContact CD2-CG2 3.72Å; F196-V250 HydrophobicContact CZ-CG2 4.41Å; M246-V250 WeakPolarHBondContact O-CB 3.4Å; M246-V250 WeakPolarHBondContact O-CG2 3.31Å; M246-V250 PolarHBondContact O-N 3.09Å; C248-V250 PolarHBondContact O-N 2.65Å; V250-G254 WeakPolarHBondContact O-CA 3.39Å; V250-G254 PolarHBondContact O-N 2.84Å |
| 251 | Y | 92.2 | Very high | 86.2 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.4 | -50.3 | 173.6 | 175.1 | -87 | 0 | 0 | 0 | 110.8 | F247 C248 A253 G254 I255 V272 A273 | F247-Y251 WeakPolarHBondContact O-CB 3.36Å; F247-Y251 PolarHBondContact O-N 3.42Å; C248-Y251 PolarHBondContact O-N 3.36Å; Y251-A253 PolarHBondContact O-N 3.13Å; Y251-G254 PolarHBondContact O-N 3.44Å; Y251-I255 HydrophobicContact CD1-CG1 4.3Å; Y251-I255 HydrophobicContact CD2-CG1 4.01Å; Y251-I255 HydrophobicContact CE1-CG1 4.07Å; Y251-I255 HydrophobicContact CE2-CD1 4.24Å; Y251-I255 HydrophobicContact CE2-CG1 3.75Å; Y251-I255 HydrophobicContact CG-CG1 4.28Å; Y251-I255 WeakPolarHBondContact O-CB 3.3Å; Y251-I255 VanDerWaalsContact O-CG1 3.28Å; Y251-I255 WeakPolarHBondContact O-CG1 3.49Å; Y251-I255 PolarHBondContact O-N 3.11Å; Y251-V272 PolarHBondContact OH-O 2.61Å; Y251-A273 WeakPolarHBondContact CE1-O 3.16Å |
| 252 | F | 89.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.1 | -53.8 | -178.7 | 178.3 | -144.4 | 0 | 0 | 0 | 111.2 | F188 C248 Y249 G254 S256 F270 A273 V276 | F188-F252 HydrophobicContact CE1-CD1 4.08Å; F188-F252 HydrophobicContact CE1-CD2 4.42Å; F188-F252 AromaticContact CE1-CE1 3.71Å; F188-F252 HydrophobicContact CE1-CE1 3.71Å; F188-F252 HydrophobicContact CE1-CE2 4.09Å; F188-F252 HydrophobicContact CE1-CG 4.43Å; F188-F252 AromaticContact CE1-CZ 3.72Å; F188-F252 HydrophobicContact CE1-CZ 3.72Å; F188-F252 HydrophobicContact CZ-CE2 4.31Å; F188-F252 HydrophobicContact CZ-CZ 4.15Å; C248-F252 WeakPolarHBondContact O-CB 3.15Å; C248-F252 PolarHBondContact O-N 3.45Å; Y249-F252 HydrophobicContact CD1-CD1 4.32Å; Y249-F252 HydrophobicContact CE1-CD1 4.49Å; Y249-F252 PolarHBondContact O-N 3.22Å; F252-G254 PolarHBondContact O-N 3.34Å; F252-S256 VanDerWaalsContact O-CB 3.22Å; F252-S256 WeakPolarHBondContact O-CB 3.28Å; F252-S256 PolarHBondContact O-N 3.41Å; F252-S256 PolarHBondContact O-OG 3.43Å; F252-F270 HydrophobicContact CE2-CD2 4.17Å; F252-F270 AromaticContact CE2-CE2 3.63Å; F252-F270 HydrophobicContact CE2-CE2 3.63Å; F252-F270 HydrophobicContact CE2-CZ 4.11Å; F252-F270 AromaticContact CZ-CE2 3.57Å; F252-F270 HydrophobicContact CZ-CE2 3.57Å; F252-F270 AromaticContact CZ-CZ 3.93Å; F252-F270 HydrophobicContact CZ-CZ 3.93Å; F252-A273 WeakPolarHBondContact CA-O 3.33Å; F252-A273 HydrophobicContact CD2-CB 4.07Å; F252-A273 WeakPolarHBondContact CD2-O 3.14Å; F252-A273 HydrophobicContact CE2-CB 4.42Å; F252-V276 HydrophobicContact CD1-CG2 4.21Å; F252-V276 HydrophobicContact CE1-CG2 4.39Å |
| 253 | A | 86.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F188 L192 Y249 Y251 M257 | F188-A253 HydrophobicContact CB-CB 4Å; F188-A253 HydrophobicContact CD1-CB 4.1Å; F188-A253 HydrophobicContact CG-CB 4.32Å; L192-A253 HydrophobicContact CD1-CB 3.83Å; L192-A253 HydrophobicContact CD2-CB 3.92Å; L192-A253 HydrophobicContact CG-CB 3.78Å; Y249-A253 WeakPolarHBondContact O-CB 3.34Å; Y249-A253 PolarHBondContact O-N 2.66Å; Y251-A253 PolarHBondContact O-N 3.13Å; A253-M257 HydrophobicContact CB-CE 4.02Å; A253-M257 VanDerWaalsContact O-CB 3.26Å; A253-M257 WeakPolarHBondContact O-CB 3.35Å; A253-M257 VanDerWaalsContact O-CE 3.27Å; A253-M257 WeakPolarHBondContact O-CE 3.17Å; A253-M257 VanDerWaalsContact O-CG 3.25Å; A253-M257 WeakPolarHBondContact O-CG 3.41Å; A253-M257 PolarHBondContact O-N 2.96Å |
| 254 | G | 85.6 | Confident | 81.6 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V250 Y251 F252 R258 | V250-G254 WeakPolarHBondContact O-CA 3.39Å; V250-G254 PolarHBondContact O-N 2.84Å; Y251-G254 PolarHBondContact O-N 3.44Å; F252-G254 PolarHBondContact O-N 3.34Å; G254-R258 WeakPolarHBondContact O-CB 3.47Å; G254-R258 PolarHBondContact O-N 3.37Å; G254-R258 VanDerWaalsContact O-N 3.08Å |
| 255 | I | 86.6 | Confident | 80.1 | Confident | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 177.8 | -63.8 | -61.7 | 0 | 0 | 0 | 110.6 | Y251 M257 R258 W259 A273 | Y251-I255 HydrophobicContact CD1-CG1 4.3Å; Y251-I255 HydrophobicContact CD2-CG1 4.01Å; Y251-I255 HydrophobicContact CE1-CG1 4.07Å; Y251-I255 HydrophobicContact CE2-CD1 4.24Å; Y251-I255 HydrophobicContact CE2-CG1 3.75Å; Y251-I255 HydrophobicContact CG-CG1 4.28Å; Y251-I255 WeakPolarHBondContact O-CB 3.3Å; Y251-I255 VanDerWaalsContact O-CG1 3.28Å; Y251-I255 WeakPolarHBondContact O-CG1 3.49Å; Y251-I255 PolarHBondContact O-N 3.11Å; I255-M257 PolarHBondContact O-N 3.08Å; I255-R258 PolarHBondContact O-N 3.17Å; I255-W259 HydrophobicContact CG2-CD2 3.88Å; I255-W259 HydrophobicContact CG2-CE3 3.32Å; I255-W259 HydrophobicContact CG2-CH2 3.47Å; I255-W259 VanDerWaalsContact CG2-CH2 3.47Å; I255-W259 HydrophobicContact CG2-CZ2 3.99Å; I255-W259 HydrophobicContact CG2-CZ3 3.09Å; I255-W259 PolarHBondContact O-N 2.9Å; I255-W259 VanDerWaalsContact O-N 3.13Å; I255-A273 HydrophobicContact CB-CB 4.12Å; I255-A273 HydrophobicContact CG2-CB 3.68Å |
| 256 | S | 82.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | F252 R258 W259 A260 A273 | F252-S256 VanDerWaalsContact O-CB 3.22Å; F252-S256 WeakPolarHBondContact O-CB 3.28Å; F252-S256 PolarHBondContact O-N 3.41Å; F252-S256 PolarHBondContact O-OG 3.43Å; S256-R258 PolarHBondContact O-N 3.22Å; S256-W259 PolarHBondContact O-N 3.42Å; S256-A260 WeakPolarHBondContact O-CB 3.42Å; S256-A260 PolarHBondContact O-N 3.33Å; S256-A273 WeakPolarHBondContact OG-CB 3.35Å |
| 257 | M | 80.9 | Confident | 78.4 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 176.5 | -78.1 | -172.5 | -80.1 | 0 | 0 | 112.9 | K185 F188 I189 L192 A253 I255 | K185-M257 HydrophobicContact CG-SD 4.32Å; F188-M257 HydrophobicContact CB-CE 4.49Å; F188-M257 HydrophobicContact CB-CG 4.24Å; F188-M257 HydrophobicContact CB-SD 4.48Å; F188-M257 HydrophobicContact CD2-CG 4.4Å; I189-M257 HydrophobicContact CG1-SD 4.3Å; L192-M257 HydrophobicContact CD1-CE 3.49Å; L192-M257 VanDerWaalsContact CD1-CE 3.49Å; A253-M257 HydrophobicContact CB-CE 4.02Å; A253-M257 VanDerWaalsContact O-CB 3.26Å; A253-M257 WeakPolarHBondContact O-CB 3.35Å; A253-M257 VanDerWaalsContact O-CE 3.27Å; A253-M257 WeakPolarHBondContact O-CE 3.17Å; A253-M257 VanDerWaalsContact O-CG 3.25Å; A253-M257 WeakPolarHBondContact O-CG 3.41Å; A253-M257 PolarHBondContact O-N 2.96Å; I255-M257 PolarHBondContact O-N 3.08Å |
| 258 | R | 81.4 | Confident | 78 | Confident | 190 Ų | 190 | 55.3 Ų | 55.3 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 176.2 | -180 | 179.4 | 176.4 | 169.4 | -1 | 111.4 | G254 I255 S256 | G254-R258 WeakPolarHBondContact O-CB 3.47Å; G254-R258 PolarHBondContact O-N 3.37Å; G254-R258 VanDerWaalsContact O-N 3.08Å; I255-R258 PolarHBondContact O-N 3.17Å; S256-R258 PolarHBondContact O-N 3.22Å |
| 259 | W | 76 | Confident | 77.4 | Confident | 94 Ų | 94 | 55.8 Ų | 55.8 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -86.6 | -23.5 | -176.8 | -67.2 | -29.7 | 0 | 0 | 0 | 114 | I255 S256 A261 L265 A269 V272 A273 | I255-W259 HydrophobicContact CG2-CD2 3.88Å; I255-W259 HydrophobicContact CG2-CE3 3.32Å; I255-W259 HydrophobicContact CG2-CH2 3.47Å; I255-W259 VanDerWaalsContact CG2-CH2 3.47Å; I255-W259 HydrophobicContact CG2-CZ2 3.99Å; I255-W259 HydrophobicContact CG2-CZ3 3.09Å; I255-W259 PolarHBondContact O-N 2.9Å; I255-W259 VanDerWaalsContact O-N 3.13Å; S256-W259 PolarHBondContact O-N 3.42Å; W259-A261 PolarHBondContact O-N 3.08Å; W259-L265 HydrophobicContact CB-CD1 3.49Å; W259-L265 VanDerWaalsContact CB-CD1 3.49Å; W259-L265 HydrophobicContact CE3-CD1 4.48Å; W259-A269 HydrophobicContact CB-CB 4.47Å; W259-A269 HydrophobicContact CD2-CB 4.18Å; W259-A269 HydrophobicContact CE3-CB 3.64Å; W259-A269 HydrophobicContact CZ3-CB 4.19Å; W259-A269 WeakPolarHBondContact CZ3-O 3.07Å; W259-V272 HydrophobicContact CH2-CB 3.77Å; W259-V272 HydrophobicContact CH2-CG1 3.59Å; W259-V272 HydrophobicContact CZ3-CB 3.81Å; W259-V272 HydrophobicContact CZ3-CG1 4.09Å; W259-A273 HydrophobicContact CE3-CB 4.48Å; W259-A273 HydrophobicContact CZ3-CB 4.23Å |
| 260 | A | 66.1 | Low | 77.1 | Confident | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -70.5 | -10.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A181 S256 E262 | A181-A260 HydrophobicContact CB-CB 4.48Å; A181-A260 VanDerWaalsContact CB-O 3.23Å; A181-A260 WeakPolarHBondContact CB-O 3.48Å; S256-A260 WeakPolarHBondContact O-CB 3.42Å; S256-A260 PolarHBondContact O-N 3.33Å; A260-E262 PolarHBondContact O-N 3.44Å; A260-E262 VanDerWaalsContact O-N 3.14Å |
| 261 | A | 58.8 | Low | 76.8 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 70% | 0.702 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -63.5 | -16.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W259 | W259-A261 PolarHBondContact O-N 3.08Š|
| 262 | E | 55.8 | Low | 76.6 | Confident | 169 Ų | 169 | 50.7 Ų | 50.7 | 79% | 0.79 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -102.6 | 0.1 | -171.6 | -68.9 | -176.8 | 176.6 | 0 | 0 | 115.5 | A260 | A260-E262 PolarHBondContact O-N 3.44Å; A260-E262 VanDerWaalsContact O-N 3.14Å |
| 263 | N | 59.9 | Low | 76.5 | Confident | 138 Ų | 138 | 50.3 Ų | 50.3 | 74% | 0.738 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 141.8 | -37.4 | 158.6 | -76 | -46.4 | 0 | 0 | 0 | 112 | ||
| 264 | Q | 64.9 | Low | 76.6 | Confident | 100 Ų | 100 | 51 Ų | 51 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -153.2 | 144.8 | 173.6 | -67.9 | -179.3 | -13.9 | 0 | 0 | 110.1 | E177 D266 | E177-Q264 PolarHBondContact O-OE1 3.26Å; Q264-D266 PolarHBondContact O-N 2.94Å |
| 265 | L | 62.1 | Low | 76.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -78.1 | 108.4 | 174.9 | -171.8 | 81.7 | 0 | 0 | 0 | 110.1 | E177 Q184 W259 A269 F270 | E177-L265 VanDerWaalsContact CA-O 3.32Å; E177-L265 WeakPolarHBondContact CA-O 3.03Å; E177-L265 VanDerWaalsContact CG-O 3.24Å; E177-L265 WeakPolarHBondContact CG-O 3.19Å; Q184-L265 VanDerWaalsContact OE1-CB 3.28Å; W259-L265 HydrophobicContact CB-CD1 3.49Å; W259-L265 VanDerWaalsContact CB-CD1 3.49Å; W259-L265 HydrophobicContact CE3-CD1 4.48Å; L265-A269 HydrophobicContact CD1-CB 4.06Å; L265-A269 HydrophobicContact CG-CB 4.38Å; L265-F270 HydrophobicContact CD2-CB 3.93Å; L265-F270 HydrophobicContact CD2-CD2 3.8Å; L265-F270 HydrophobicContact CD2-CG 4.38Å | ||
| 266 | D | 74.1 | Confident | 77.2 | Confident | 62 Ų | 62 | 48.1 Ų | 48.1 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | trans | -61.3 | 154 | 175.7 | -179.9 | 37 | 0 | 0 | 0 | 112.3 | S14 Q264 N268 A269 F270 | S14-D266 VanDerWaalsContact OG-CG 3.29Å; S14-D266 PolarHBondContact OG-OD1 3.46Å; S14-D266 PolarHBondContact OG-OD2 2.95Å; Q264-D266 PolarHBondContact O-N 2.94Å; D266-N268 VanDerWaalsContact C-N 3.28Å; D266-N268 PolarHBondContact O-N 3.37Å; D266-N268 PolarHBondContact OD2-ND2 3.41Å; D266-N268 VanDerWaalsContact OD2-ND2 3.09Å; D266-A269 WeakPolarHBondContact O-CB 3.49Å; D266-A269 PolarHBondContact O-N 3.1Å; D266-A269 VanDerWaalsContact O-N 3.1Å; D266-F270 PolarHBondContact O-N 3.24Å | ||
| 267 | G | 76.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -32.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E177 F270 L271 | E177-G267 WeakPolarHBondContact OE1-CA 3.4Å; E177-G267 PolarHBondContact OE1-N 3.42Å; G267-F270 PolarHBondContact O-N 3.39Å; G267-L271 PolarHBondContact O-N 3.29Å; G267-L271 VanDerWaalsContact O-N 3.09Å |
| 268 | N | 83.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -44.9 | 173.4 | -64.1 | -47.4 | 0 | 0 | 0 | 111.2 | S14 T17 S18 Y23 D266 F270 L271 V272 | S14-N268 PolarHBondContact O-ND2 2.91Å; S14-N268 PolarHBondContact OG-ND2 3.48Å; T17-N268 HydrophobicContact CG2-CB 4.46Å; S18-N268 WeakPolarHBondContact CA-OD1 3.39Å; S18-N268 WeakPolarHBondContact CB-OD1 3.35Å; S18-N268 PolarHBondContact N-OD1 3.05Å; Y23-N268 HydrophobicContact CD1-CB 4.09Å; Y23-N268 HydrophobicContact CE1-CB 3.6Å; D266-N268 VanDerWaalsContact C-N 3.28Å; D266-N268 PolarHBondContact O-N 3.37Å; D266-N268 PolarHBondContact OD2-ND2 3.41Å; D266-N268 VanDerWaalsContact OD2-ND2 3.09Å; N268-F270 VanDerWaalsContact C-N 3.3Å; N268-F270 PolarHBondContact O-N 3.07Å; N268-L271 PolarHBondContact O-N 3.41Å; N268-V272 PolarHBondContact O-N 3.35Å |
| 269 | A | 82.3 | Confident | 79.2 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | W259 L265 D266 L271 V272 A273 | W259-A269 HydrophobicContact CB-CB 4.47Å; W259-A269 HydrophobicContact CD2-CB 4.18Å; W259-A269 HydrophobicContact CE3-CB 3.64Å; W259-A269 HydrophobicContact CZ3-CB 4.19Å; W259-A269 WeakPolarHBondContact CZ3-O 3.07Å; L265-A269 HydrophobicContact CD1-CB 4.06Å; L265-A269 HydrophobicContact CG-CB 4.38Å; D266-A269 WeakPolarHBondContact O-CB 3.49Å; D266-A269 PolarHBondContact O-N 3.1Å; D266-A269 VanDerWaalsContact O-N 3.1Å; A269-L271 PolarHBondContact O-N 3.29Å; A269-V272 PolarHBondContact O-N 2.94Å; A269-A273 WeakPolarHBondContact O-CB 3.08Å; A269-A273 PolarHBondContact O-N 3.4Å |
| 270 | F | 83.5 | Confident | 80.2 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 173.6 | -177.2 | -90.9 | 0 | 0 | 0 | 112.5 | S174 S175 F176 F252 L265 D266 G267 N268 V272 A273 N274 | S174-F270 WeakPolarHBondContact O-CE1 2.8Å; S174-F270 WeakPolarHBondContact O-CZ 3.47Å; S174-F270 VanDerWaalsContact OG-CE1 3.25Å; S174-F270 WeakPolarHBondContact OG-CE1 3.34Å; S175-F270 VanDerWaalsContact CB-CG 3.45Å; F176-F270 HydrophobicContact CD2-CE2 4.4Å; F252-F270 HydrophobicContact CE2-CD2 4.17Å; F252-F270 AromaticContact CE2-CE2 3.63Å; F252-F270 HydrophobicContact CE2-CE2 3.63Å; F252-F270 HydrophobicContact CE2-CZ 4.11Å; F252-F270 AromaticContact CZ-CE2 3.57Å; F252-F270 HydrophobicContact CZ-CE2 3.57Å; F252-F270 AromaticContact CZ-CZ 3.93Å; F252-F270 HydrophobicContact CZ-CZ 3.93Å; L265-F270 HydrophobicContact CD2-CB 3.93Å; L265-F270 HydrophobicContact CD2-CD2 3.8Å; L265-F270 HydrophobicContact CD2-CG 4.38Å; D266-F270 PolarHBondContact O-N 3.24Å; G267-F270 PolarHBondContact O-N 3.39Å; N268-F270 VanDerWaalsContact C-N 3.3Å; N268-F270 PolarHBondContact O-N 3.07Å; F270-V272 PolarHBondContact O-N 3Å; F270-A273 PolarHBondContact O-N 3.41Å; F270-A273 VanDerWaalsContact O-N 3.08Å; F270-N274 HydrophobicContact CD1-CB 4.36Å; F270-N274 HydrophobicContact CE1-CB 3.96Å; F270-N274 HydrophobicContact CZ-CB 4.36Å; F270-N274 WeakPolarHBondContact O-CB 3.45Å; F270-N274 PolarHBondContact O-N 2.04Å |
| 271 | L | 85.3 | Confident | 81.7 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -37.3 | -179.6 | -175 | 59.4 | 0 | 0 | 0 | 112.4 | Y23 L26 E27 G267 N268 A269 | Y23-L271 HydrophobicContact CD1-CD2 4.28Å; Y23-L271 WeakPolarHBondContact O-CD2 3.38Å; L26-L271 HydrophobicContact CB-CD2 4.2Å; L26-L271 HydrophobicContact CB-CG 4.28Å; E27-L271 HydrophobicContact CB-CD1 4.48Å; E27-L271 HydrophobicContact CB-CD2 4.12Å; E27-L271 WeakPolarHBondContact OE2-CD1 3.33Å; G267-L271 PolarHBondContact O-N 3.29Å; G267-L271 VanDerWaalsContact O-N 3.09Å; N268-L271 PolarHBondContact O-N 3.41Å; A269-L271 PolarHBondContact O-N 3.29Å |
| 272 | V | 86.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -75.7 | -31.8 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 112 | Y23 L26 Y251 W259 N268 A269 F270 | Y23-V272 HydrophobicContact CD1-CG2 4.43Å; Y23-V272 HydrophobicContact CE1-CG2 3.79Å; L26-V272 HydrophobicContact CD1-CG2 3.91Å; Y251-V272 PolarHBondContact OH-O 2.61Å; W259-V272 HydrophobicContact CH2-CB 3.77Å; W259-V272 HydrophobicContact CH2-CG1 3.59Å; W259-V272 HydrophobicContact CZ3-CB 3.81Å; W259-V272 HydrophobicContact CZ3-CG1 4.09Å; N268-V272 PolarHBondContact O-N 3.35Å; A269-V272 PolarHBondContact O-N 2.94Å; F270-V272 PolarHBondContact O-N 3Å |
| 273 | A | 87.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.8 | -30.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y251 F252 I255 S256 W259 A269 F270 S275 | Y251-A273 WeakPolarHBondContact CE1-O 3.16Å; F252-A273 WeakPolarHBondContact CA-O 3.33Å; F252-A273 HydrophobicContact CD2-CB 4.07Å; F252-A273 WeakPolarHBondContact CD2-O 3.14Å; F252-A273 HydrophobicContact CE2-CB 4.42Å; I255-A273 HydrophobicContact CB-CB 4.12Å; I255-A273 HydrophobicContact CG2-CB 3.68Å; S256-A273 WeakPolarHBondContact OG-CB 3.35Å; W259-A273 HydrophobicContact CE3-CB 4.48Å; W259-A273 HydrophobicContact CZ3-CB 4.23Å; A269-A273 WeakPolarHBondContact O-CB 3.08Å; A269-A273 PolarHBondContact O-N 3.4Å; F270-A273 PolarHBondContact O-N 3.41Å; F270-A273 VanDerWaalsContact O-N 3.08Å; A273-S275 PolarHBondContact O-N 2.85Å |
| 274 | N | 88.8 | Confident | 87.1 | Confident | 16 Ų | 16 | 21.6 Ų | 21.6 | 9% | 0.086 | 11% | 0.114 | C | C | . | . | trans | -71.3 | 93.6 | -169.7 | -170.5 | 9 | 0 | 0 | 0 | 112.9 | F270 V276 P277 | F270-N274 HydrophobicContact CD1-CB 4.36Å; F270-N274 HydrophobicContact CE1-CB 3.96Å; F270-N274 HydrophobicContact CZ-CB 4.36Å; F270-N274 WeakPolarHBondContact O-CB 3.45Å; F270-N274 PolarHBondContact O-N 2.04Å; N274-V276 WeakPolarHBondContact OD1-CB 3.29Å; N274-V276 PolarHBondContact OD1-N 3.5Å; N274-P277 WeakPolarHBondContact OD1-CD 3.48Å | ||
| 275 | S | 93 | Very high | 88.5 | Confident | 11 Ų | 11 | 18.8 Ų | 18.8 | 8% | 0.077 | 10% | 0.101 | C | C | . | . | trans | -90.7 | -2 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | C248 A273 V278 Y279 | C248-S275 WeakPolarHBondContact CA-OG 3.49Å; C248-S275 PolarHBondContact O-OG 3.11Å; A273-S275 PolarHBondContact O-N 2.85Å; S275-V278 VanDerWaalsContact O-CB 3.22Å; S275-V278 WeakPolarHBondContact O-CB 3.3Å; S275-V278 PolarHBondContact O-N 2.86Å; S275-Y279 PolarHBondContact O-N 3.3Å | ||
| 276 | V | 92.6 | Very high | 90 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | -174.3 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | Y71 F115 Y249 F252 N274 V278 Y279 V280 | Y71-V276 HydrophobicContact CD1-CG1 4.28Å; Y71-V276 HydrophobicContact CD2-CG1 4.02Å; Y71-V276 HydrophobicContact CE1-CB 4.23Å; Y71-V276 HydrophobicContact CE1-CG1 3.74Å; Y71-V276 HydrophobicContact CE2-CB 4.18Å; Y71-V276 HydrophobicContact CE2-CG1 3.45Å; Y71-V276 VanDerWaalsContact CE2-CG1 3.45Å; Y71-V276 HydrophobicContact CG-CG1 4.41Å; Y71-V276 WeakPolarHBondContact OH-CB 3.41Å; F115-V276 HydrophobicContact CE2-CG1 4.39Å; Y249-V276 HydrophobicContact CE1-CG2 4.23Å; F252-V276 HydrophobicContact CD1-CG2 4.21Å; F252-V276 HydrophobicContact CE1-CG2 4.39Å; N274-V276 WeakPolarHBondContact OD1-CB 3.29Å; N274-V276 PolarHBondContact OD1-N 3.5Å; V276-V278 PolarHBondContact O-N 3.47Å; V276-Y279 WeakPolarHBondContact O-CB 3.37Å; V276-Y279 PolarHBondContact O-N 3.11Å; V276-Y279 VanDerWaalsContact O-N 3.08Å; V276-V280 HydrophobicContact CG1-CG2 4.16Å; V276-V280 WeakPolarHBondContact O-CG2 3.25Å; V276-V280 PolarHBondContact O-N 3.13Å |
| 277 | P | 94.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56 | -34 | 171.4 | -27.5 | 36.6 | 0 | 0 | 0 | 113.8 | M33 Y71 Y75 N274 V280 F281 | M33-P277 HydrophobicContact CB-CB 4.46Å; Y71-P277 HydrophobicContact CE1-CG 4.42Å; Y75-P277 HydrophobicContact CD1-CG 4.5Å; Y75-P277 HydrophobicContact CD2-CG 4.1Å; Y75-P277 HydrophobicContact CE1-CG 4.25Å; Y75-P277 HydrophobicContact CE2-CG 3.79Å; Y75-P277 HydrophobicContact CG-CG 4.46Å; N274-P277 WeakPolarHBondContact OD1-CD 3.48Å; P277-V280 PolarHBondContact O-N 2.67Å; P277-F281 WeakPolarHBondContact O-CB 3.49Å; P277-F281 PolarHBondContact O-N 2.95Å |
| 278 | V | 96.2 | Very high | 91.5 | Very high | 48 Ų | 48 | 19 Ų | 19 | 29% | 0.291 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | M33 S275 V276 V280 F281 F282 | M33-V278 HydrophobicContact CE-CG2 4.23Å; M33-V278 HydrophobicContact SD-CB 4.37Å; M33-V278 HydrophobicContact SD-CG2 3.87Å; S275-V278 VanDerWaalsContact O-CB 3.22Å; S275-V278 WeakPolarHBondContact O-CB 3.3Å; S275-V278 PolarHBondContact O-N 2.86Å; V276-V278 PolarHBondContact O-N 3.47Å; V278-V280 PolarHBondContact O-N 2.96Å; V278-F281 PolarHBondContact O-N 3.44Å; V278-F282 HydrophobicContact CG1-CD2 3.63Å; V278-F282 HydrophobicContact CG1-CE2 3.85Å; V278-F282 VanDerWaalsContact O-CD2 3.31Å; V278-F282 WeakPolarHBondContact O-CD2 3.15Å; V278-F282 PolarHBondContact O-N 3.36Å |
| 279 | Y | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 175.5 | 171.7 | -106.3 | 0 | 0 | 0 | 111.5 | H64 L68 F115 Y119 L244 N245 S275 V276 F281 F282 S283 | H64-Y279 PolarHBondContact CE1-OH 3.4Å; H64-Y279 PolarHBondContact NE2-OH 2.8Å; L68-Y279 HydrophobicContact CD2-CE1 4.13Å; F115-Y279 HydrophobicContact CB-CE1 4.04Å; F115-Y279 HydrophobicContact CD1-CE1 4.04Å; F115-Y279 AromaticContact CD2-CD1 3.87Å; F115-Y279 HydrophobicContact CD2-CD1 3.87Å; F115-Y279 AromaticContact CD2-CE1 3.57Å; F115-Y279 HydrophobicContact CD2-CE1 3.57Å; F115-Y279 HydrophobicContact CE1-CE1 4.4Å; F115-Y279 HydrophobicContact CE2-CD1 4.09Å; F115-Y279 HydrophobicContact CE2-CE1 4Å; F115-Y279 HydrophobicContact CG-CD1 4.39Å; F115-Y279 AromaticContact CG-CE1 3.62Å; F115-Y279 HydrophobicContact CG-CE1 3.62Å; F115-Y279 HydrophobicContact CZ-CE1 4.41Å; Y119-Y279 PolarHBondContact OH-OH 3.4Å; L244-Y279 HydrophobicContact CD2-CD2 4.09Å; L244-Y279 HydrophobicContact CD2-CE2 4.48Å; L244-Y279 HydrophobicContact CG-CD2 3.97Å; N245-Y279 HydrophobicContact CB-CD2 4.09Å; N245-Y279 HydrophobicContact CB-CE2 3.55Å; N245-Y279 WeakPolarHBondContact OD1-CE2 3.38Å; S275-Y279 PolarHBondContact O-N 3.3Å; V276-Y279 WeakPolarHBondContact O-CB 3.37Å; V276-Y279 PolarHBondContact O-N 3.11Å; V276-Y279 VanDerWaalsContact O-N 3.08Å; Y279-F281 VanDerWaalsContact C-N 3.28Å; Y279-F281 PolarHBondContact O-N 3Å; Y279-F282 PolarHBondContact O-N 2.87Å; Y279-S283 WeakPolarHBondContact O-CB 2.94Å; Y279-S283 PolarHBondContact O-N 3.17Å |
| 280 | V | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -34.3 | -175.1 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | L68 Y71 S72 F115 V276 P277 V278 P284 | L68-V280 HydrophobicContact CB-CG1 4.49Å; L68-V280 HydrophobicContact CD2-CB 4.18Å; L68-V280 HydrophobicContact CD2-CG1 4Å; L68-V280 HydrophobicContact CD2-CG2 4Å; Y71-V280 HydrophobicContact CD1-CB 4.37Å; Y71-V280 HydrophobicContact CD1-CG1 4.48Å; Y71-V280 HydrophobicContact CD1-CG2 3.64Å; Y71-V280 HydrophobicContact CE1-CG2 4.26Å; Y71-V280 HydrophobicContact CG-CG2 4Å; S72-V280 WeakPolarHBondContact OG-CG1 3.37Å; F115-V280 HydrophobicContact CE2-CG2 3.84Å; F115-V280 HydrophobicContact CZ-CG2 4.03Å; V276-V280 HydrophobicContact CG1-CG2 4.16Å; V276-V280 WeakPolarHBondContact O-CG2 3.25Å; V276-V280 PolarHBondContact O-N 3.13Å; P277-V280 PolarHBondContact O-N 2.67Å; V278-V280 PolarHBondContact O-N 2.96Å; V280-P284 WeakPolarHBondContact O-CD 3.42Å |
| 281 | F | 97.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 22.2 Ų | 22.2 | 18% | 0.184 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.1 | -48.3 | 174.3 | 176.5 | -101.7 | 0 | 0 | 0 | 113.2 | M33 F36 L40 P277 V278 Y279 P284 I285 | M33-F281 HydrophobicContact CB-CB 3.98Å; M33-F281 HydrophobicContact CB-CD2 4.48Å; M33-F281 HydrophobicContact CB-CG 4.31Å; M33-F281 HydrophobicContact CE-CD1 4.3Å; M33-F281 HydrophobicContact CG-CB 4.16Å; M33-F281 HydrophobicContact CG-CG 4.16Å; M33-F281 WeakPolarHBondContact O-CD2 3.35Å; M33-F281 HydrophobicContact SD-CB 4.46Å; F36-F281 HydrophobicContact CB-CD2 4.1Å; F36-F281 HydrophobicContact CB-CE2 3.71Å; L40-F281 HydrophobicContact CD1-CD2 4.07Å; L40-F281 HydrophobicContact CD1-CE2 3.75Å; L40-F281 HydrophobicContact CD1-CZ 4.41Å; P277-F281 WeakPolarHBondContact O-CB 3.49Å; P277-F281 PolarHBondContact O-N 2.95Å; V278-F281 PolarHBondContact O-N 3.44Å; Y279-F281 VanDerWaalsContact C-N 3.28Å; Y279-F281 PolarHBondContact O-N 3Å; F281-P284 WeakPolarHBondContact O-CD 3.07Å; F281-P284 WeakPolarHBondContact O-CG 3.38Å; F281-I285 HydrophobicContact CD1-CD1 4.35Å; F281-I285 HydrophobicContact CE1-CD1 3.87Å; F281-I285 HydrophobicContact CZ-CD1 3.98Å |
| 282 | F | 97.3 | Very high | 91.8 | Very high | 82 Ų | 82 | 29.4 Ų | 29.4 | 36% | 0.36 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -80.8 | -24.6 | -174.9 | -76.8 | -68.9 | 0 | 0 | 0 | 113.9 | M33 L244 V278 Y279 I285 M286 | M33-F282 HydrophobicContact CE-CE2 4.13Å; L244-F282 HydrophobicContact CD1-CB 4.24Å; L244-F282 HydrophobicContact CD2-CB 3.58Å; V278-F282 HydrophobicContact CG1-CD2 3.63Å; V278-F282 HydrophobicContact CG1-CE2 3.85Å; V278-F282 VanDerWaalsContact O-CD2 3.31Å; V278-F282 WeakPolarHBondContact O-CD2 3.15Å; V278-F282 PolarHBondContact O-N 3.36Å; Y279-F282 PolarHBondContact O-N 2.87Å; F282-I285 HydrophobicContact CD1-CD1 4.26Å; F282-I285 WeakPolarHBondContact O-CB 3.34Å; F282-I285 PolarHBondContact O-N 3.35Å; F282-M286 WeakPolarHBondContact O-CB 3.39Å; F282-M286 WeakPolarHBondContact O-CG 3.38Å; F282-M286 PolarHBondContact O-N 2.93Å |
| 283 | S | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.6 | -57 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 113.4 | H64 N241 Y279 I285 M286 W287 | H64-S283 PolarHBondContact NE2-OG 2.91Å; N241-S283 VanDerWaalsContact OD1-CA 3.27Å; N241-S283 WeakPolarHBondContact OD1-CA 3.26Å; N241-S283 PolarHBondContact OD1-O 2.86Å; N241-S283 PolarHBondContact OD1-OG 3.42Å; Y279-S283 WeakPolarHBondContact O-CB 2.94Å; Y279-S283 PolarHBondContact O-N 3.17Å; S283-I285 VanDerWaalsContact C-N 3.27Å; S283-I285 PolarHBondContact O-N 3.11Å; S283-M286 PolarHBondContact O-N 3.01Å; S283-M286 VanDerWaalsContact O-N 3.14Å; S283-W287 PolarHBondContact O-N 3.3Å; S283-W287 PolarHBondContact OG-NE1 3.36Å; S283-W287 VanDerWaalsContact OG-NE1 3.14Å |
| 284 | P | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -35.2 | 178.4 | 24.5 | -34.5 | 0 | 0 | 0 | 112.7 | L40 V280 F281 W287 M288 | L40-P284 HydrophobicContact CB-CB 4.15Å; L40-P284 HydrophobicContact CB-CG 3.85Å; V280-P284 WeakPolarHBondContact O-CD 3.42Å; F281-P284 WeakPolarHBondContact O-CD 3.07Å; F281-P284 WeakPolarHBondContact O-CG 3.38Å; P284-W287 WeakPolarHBondContact O-CB 2.87Å; P284-W287 PolarHBondContact O-N 3.28Å; P284-M288 WeakPolarHBondContact O-CE 3.24Å; P284-M288 VanDerWaalsContact O-CG 3.3Å; P284-M288 WeakPolarHBondContact O-CG 3.47Å; P284-M288 PolarHBondContact O-N 2.94Å |
| 285 | I | 94.3 | Very high | 89.2 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 176 | -60.1 | 173.1 | 0 | 0 | 0 | 110.3 | L40 F281 F282 S283 W287 M288 I289 | L40-I285 HydrophobicContact CD1-CD1 3.9Å; L40-I285 HydrophobicContact CD1-CG1 3.93Å; L40-I285 HydrophobicContact CD2-CG1 4.31Å; F281-I285 HydrophobicContact CD1-CD1 4.35Å; F281-I285 HydrophobicContact CE1-CD1 3.87Å; F281-I285 HydrophobicContact CZ-CD1 3.98Å; F282-I285 HydrophobicContact CD1-CD1 4.26Å; F282-I285 WeakPolarHBondContact O-CB 3.34Å; F282-I285 PolarHBondContact O-N 3.35Å; S283-I285 VanDerWaalsContact C-N 3.27Å; S283-I285 PolarHBondContact O-N 3.11Å; I285-W287 VanDerWaalsContact C-N 3.31Å; I285-W287 PolarHBondContact O-N 3.16Å; I285-M288 HydrophobicContact CG1-CE 4.48Å; I285-M288 PolarHBondContact O-N 2.92Å; I285-I289 HydrophobicContact CG2-CD1 3.66Å; I285-I289 HydrophobicContact CG2-CG1 4.26Å; I285-I289 WeakPolarHBondContact O-CB 3.1Å; I285-I289 VanDerWaalsContact O-CG1 3.31Å; I285-I289 WeakPolarHBondContact O-CG1 3.41Å; I285-I289 PolarHBondContact O-N 3.47Å |
| 286 | M | 93.9 | Very high | 87.4 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.8 | -74.7 | -56.5 | -61.4 | 0 | 0 | 111.8 | P240 N241 L244 F282 S283 T290 | P240-M286 HydrophobicContact CB-CE 3.36Å; N241-M286 WeakPolarHBondContact ND2-CB 3.11Å; L244-M286 HydrophobicContact CD2-CG 4.06Å; F282-M286 WeakPolarHBondContact O-CB 3.39Å; F282-M286 WeakPolarHBondContact O-CG 3.38Å; F282-M286 PolarHBondContact O-N 2.93Å; S283-M286 PolarHBondContact O-N 3.01Å; S283-M286 VanDerWaalsContact O-N 3.14Å; M286-T290 VanDerWaalsContact O-CB 3.27Å; M286-T290 WeakPolarHBondContact O-CB 3.42Å; M286-T290 PolarHBondContact O-N 2.68Å; M286-T290 PolarHBondContact O-OG1 3.32Å |
| 287 | W | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 174.3 | -77.8 | 126.8 | 0 | 0 | 0 | 111.6 | F48 M61 H64 F118 L237 I238 N241 S283 P284 I285 T290 L291 | F48-W287 HydrophobicContact CE2-CB 3.93Å; F48-W287 HydrophobicContact CE2-CD2 4.45Å; F48-W287 HydrophobicContact CE2-CE3 4.34Å; F48-W287 HydrophobicContact CE2-CG 4.3Å; F48-W287 HydrophobicContact CZ-CD2 4.34Å; F48-W287 AromaticContact CZ-CE3 3.86Å; F48-W287 HydrophobicContact CZ-CE3 3.86Å; M61-W287 HydrophobicContact CE-CD2 3.57Å; M61-W287 VanDerWaalsContact CE-CE2 3.42Å; M61-W287 HydrophobicContact CE-CE3 4.1Å; M61-W287 HydrophobicContact CE-CG 3.96Å; M61-W287 HydrophobicContact CE-CH2 4.3Å; M61-W287 HydrophobicContact CE-CZ2 3.82Å; M61-W287 HydrophobicContact CE-CZ3 4.42Å; M61-W287 HydrophobicContact SD-CD2 4.29Å; M61-W287 HydrophobicContact SD-CE3 4.34Å; M61-W287 HydrophobicContact SD-CH2 3.78Å; M61-W287 HydrophobicContact SD-CZ2 3.73Å; M61-W287 HydrophobicContact SD-CZ3 4.09Å; H64-W287 AromaticContact CD2-NE1 3.72Å; H64-W287 AromaticContact NE2-NE1 3.69Å; F118-W287 HydrophobicContact CE1-CH2 4.35Å; F118-W287 HydrophobicContact CE1-CZ2 4.13Å; F118-W287 HydrophobicContact CZ-CZ2 4.4Å; L237-W287 HydrophobicContact CD1-CE3 4.4Å; L237-W287 HydrophobicContact CG-CE3 4.23Å; L237-W287 HydrophobicContact CG-CZ3 4Å; L237-W287 WeakPolarHBondContact O-CZ3 3.44Å; I238-W287 HydrophobicContact CB-CH2 4.34Å; I238-W287 HydrophobicContact CG1-CH2 3.98Å; I238-W287 HydrophobicContact CG1-CZ3 4.12Å; I238-W287 HydrophobicContact CG2-CH2 4.47Å; N241-W287 HydrophobicContact CB-CD2 4.29Å; N241-W287 HydrophobicContact CB-CH2 3.76Å; N241-W287 HydrophobicContact CB-CZ2 3.44Å; N241-W287 VanDerWaalsContact CB-CZ2 3.44Å; N241-W287 HydrophobicContact CB-CZ3 4.29Å; N241-W287 VanDerWaalsContact ND2-CG 3.27Å; N241-W287 PolarHBondContact ND2-N 2.95Å; N241-W287 VanDerWaalsContact ND2-N 3.18Å; S283-W287 PolarHBondContact O-N 3.3Å; S283-W287 PolarHBondContact OG-NE1 3.36Å; S283-W287 VanDerWaalsContact OG-NE1 3.14Å; P284-W287 WeakPolarHBondContact O-CB 2.87Å; P284-W287 PolarHBondContact O-N 3.28Å; I285-W287 VanDerWaalsContact C-N 3.31Å; I285-W287 PolarHBondContact O-N 3.16Å; W287-T290 PolarHBondContact O-N 2.93Å; W287-L291 WeakPolarHBondContact O-CG 3.28Å; W287-L291 PolarHBondContact O-N 2.93Å |
| 288 | M | 89.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 178.9 | -68.6 | -175.6 | -72.1 | 0 | 0 | 113.5 | L40 Y43 P284 I285 T290 L291 R292 | L40-M288 HydrophobicContact CD2-CE 4.1Å; Y43-M288 HydrophobicContact CD1-CE 4.15Å; Y43-M288 HydrophobicContact CD1-SD 3.15Å; Y43-M288 WeakPolarHBondContact CD1-SD 3.29Å; Y43-M288 HydrophobicContact CE1-SD 3.49Å; Y43-M288 WeakPolarHBondContact CE1-SD 3.1Å; Y43-M288 HydrophobicContact CG-SD 4.21Å; P284-M288 WeakPolarHBondContact O-CE 3.24Å; P284-M288 VanDerWaalsContact O-CG 3.3Å; P284-M288 WeakPolarHBondContact O-CG 3.47Å; P284-M288 PolarHBondContact O-N 2.94Å; I285-M288 HydrophobicContact CG1-CE 4.48Å; I285-M288 PolarHBondContact O-N 2.92Å; M288-T290 VanDerWaalsContact C-N 3.28Å; M288-T290 PolarHBondContact O-N 3.19Å; M288-L291 PolarHBondContact O-N 2.98Å; M288-R292 WeakPolarHBondContact O-CB 3.46Å; M288-R292 WeakPolarHBondContact O-CG 3.14Å; M288-R292 PolarHBondContact O-N 3.26Å |
| 289 | I | 88.8 | Confident | 81.8 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 44% | 0.441 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.4 | -71.9 | 172.6 | 0 | 0 | 0 | 109.8 | I285 R292 R293 | I285-I289 HydrophobicContact CG2-CD1 3.66Å; I285-I289 HydrophobicContact CG2-CG1 4.26Å; I285-I289 WeakPolarHBondContact O-CB 3.1Å; I285-I289 VanDerWaalsContact O-CG1 3.31Å; I285-I289 WeakPolarHBondContact O-CG1 3.41Å; I285-I289 PolarHBondContact O-N 3.47Å; I289-R292 PolarHBondContact O-N 3.16Å; I289-R293 VanDerWaalsContact O-CB 3.24Å; I289-R293 WeakPolarHBondContact O-CB 3.46Å; I289-R293 PolarHBondContact O-N 3.34Å |
| 290 | T | 87.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | -178.4 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | I236 L237 P240 M286 W287 M288 R292 W294 | I236-T290 WeakPolarHBondContact O-CG2 3.46Å; L237-T290 HydrophobicContact CD1-CG2 3.88Å; P240-T290 HydrophobicContact CG-CG2 4.13Å; M286-T290 VanDerWaalsContact O-CB 3.27Å; M286-T290 WeakPolarHBondContact O-CB 3.42Å; M286-T290 PolarHBondContact O-N 2.68Å; M286-T290 PolarHBondContact O-OG1 3.32Å; W287-T290 PolarHBondContact O-N 2.93Å; M288-T290 VanDerWaalsContact C-N 3.28Å; M288-T290 PolarHBondContact O-N 3.19Å; T290-R292 PolarHBondContact O-N 2.84Å; T290-W294 WeakPolarHBondContact O-CB 3.41Å; T290-W294 PolarHBondContact O-N 3.49Å |
| 291 | L | 83.4 | Confident | 77.7 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 174 | -77.3 | 177.9 | 0 | 0 | 0 | 112.6 | C47 F48 V53 L237 W287 M288 K295 V298 | C47-L291 HydrophobicContact CB-CD1 4.24Å; F48-L291 HydrophobicContact CD2-CD1 3.42Å; F48-L291 VanDerWaalsContact CD2-CD1 3.42Å; F48-L291 HydrophobicContact CD2-CG 4.49Å; F48-L291 HydrophobicContact CE1-CD1 4.46Å; F48-L291 HydrophobicContact CE2-CD1 3.31Å; F48-L291 HydrophobicContact CE2-CG 3.95Å; F48-L291 HydrophobicContact CG-CD1 4.04Å; F48-L291 HydrophobicContact CZ-CD1 3.9Å; F48-L291 HydrophobicContact CZ-CD2 4.3Å; F48-L291 HydrophobicContact CZ-CG 4.14Å; V53-L291 HydrophobicContact CG2-CD2 4.04Å; L237-L291 HydrophobicContact CD1-CD2 3.63Å; L237-L291 HydrophobicContact CD1-CG 3.9Å; L237-L291 HydrophobicContact CD2-CD2 4.28Å; W287-L291 WeakPolarHBondContact O-CG 3.28Å; W287-L291 PolarHBondContact O-N 2.93Å; M288-L291 PolarHBondContact O-N 2.98Å; L291-K295 WeakPolarHBondContact O-CA 3.29Å; L291-K295 WeakPolarHBondContact O-CB 3.47Å; L291-K295 PolarHBondContact O-N 3.49Å; L291-V298 HydrophobicContact CD2-CG1 4.36Å |
| 292 | R | 81.9 | Confident | 75.4 | Confident | 162 Ų | 162 | 60.9 Ų | 60.9 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.2 | -48.8 | -179.9 | -72.7 | 178.3 | -176.4 | -179.9 | 1.4 | 112 | Y43 M288 I289 T290 W294 K295 | Y43-R292 PolarHBondContact OH-NH2 2.63Å; M288-R292 WeakPolarHBondContact O-CB 3.46Å; M288-R292 WeakPolarHBondContact O-CG 3.14Å; M288-R292 PolarHBondContact O-N 3.26Å; I289-R292 PolarHBondContact O-N 3.16Å; T290-R292 PolarHBondContact O-N 2.84Å; R292-W294 VanDerWaalsContact C-N 3.29Å; R292-W294 PolarHBondContact O-N 3.36Å; R292-K295 PolarHBondContact O-N 2.94Å |
| 293 | R | 77.3 | Confident | 73.3 | Confident | 196 Ų | 196 | 61.4 Ų | 61.4 | 74% | 0.74 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.6 | -32.3 | -175.7 | -171.6 | 171.4 | -178.9 | 111.7 | -1.6 | 112.4 | I289 | I289-R293 VanDerWaalsContact O-CB 3.24Å; I289-R293 WeakPolarHBondContact O-CB 3.46Å; I289-R293 PolarHBondContact O-N 3.34Å |
| 294 | W | 67.3 | Low | 71 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 17.2 | -176.6 | -56 | 105.3 | 0 | 0 | 0 | 113.1 | I236 T290 R292 G296 R297 V298 | I236-W294 HydrophobicContact CG2-CB 4.04Å; I236-W294 HydrophobicContact CG2-CD2 3.66Å; I236-W294 HydrophobicContact CG2-CE3 4.41Å; I236-W294 HydrophobicContact CG2-CG 3.48Å; I236-W294 VanDerWaalsContact CG2-CG 3.48Å; T290-W294 WeakPolarHBondContact O-CB 3.41Å; T290-W294 PolarHBondContact O-N 3.49Å; R292-W294 VanDerWaalsContact C-N 3.29Å; R292-W294 PolarHBondContact O-N 3.36Å; W294-G296 VanDerWaalsContact C-N 3.3Å; W294-G296 PolarHBondContact O-N 3.13Å; W294-R297 HydrophobicContact CE3-CG 4.34Å; W294-R297 VanDerWaalsContact CZ3-NH1 3.3Å; W294-R297 CarbonylContact O-C 3.55Å; W294-R297 WeakPolarHBondContact O-CA 3.35Å; W294-R297 PolarHBondContact O-N 3.33Å; W294-V298 HydrophobicContact CB-CG2 3.79Å; W294-V298 WeakPolarHBondContact O-CG2 3.39Å; W294-V298 PolarHBondContact O-N 3.36Å |
| 295 | K | 64.2 | Low | 68.8 | Low | 109 Ų | 109 | 72 Ų | 72 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -49.6 | -47 | -176 | -170.7 | 168.1 | -176.6 | 151.6 | 0 | 113.1 | E51 L291 R292 R297 N299 | E51-K295 WeakPolarHBondContact OE1-CE 3.25Å; E51-K295 IonicContact OE1-NZ 3.72Å; E51-K295 PolarHBondContact OE1-NZ 3.5Å; E51-K295 WeakPolarHBondContact OE2-CE 3.37Å; E51-K295 IonicContact OE2-NZ 2.76Å; L291-K295 WeakPolarHBondContact O-CA 3.29Å; L291-K295 WeakPolarHBondContact O-CB 3.47Å; L291-K295 PolarHBondContact O-N 3.49Å; R292-K295 PolarHBondContact O-N 2.94Å; K295-R297 VanDerWaalsContact C-N 3.29Å; K295-R297 PolarHBondContact O-N 2.91Å; K295-N299 CarbonylContact O-C 3.36Å; K295-N299 WeakPolarHBondContact O-CA 3.19Å; K295-N299 WeakPolarHBondContact O-CB 3.28Å; K295-N299 PolarHBondContact O-N 2.84Å; K295-N299 VanDerWaalsContact O-O 3.11Å |
| 296 | G | 54.3 | Low | 66.5 | Low | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.2 | -19 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | W294 | W294-G296 VanDerWaalsContact C-N 3.3Å; W294-G296 PolarHBondContact O-N 3.13Å |
| 297 | R | 58.8 | Low | 64.5 | Low | 145 Ų | 145 | 77.3 Ų | 77.3 | 55% | 0.547 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -93.8 | -34.3 | 175.8 | -65.4 | -163.8 | -172.9 | 177.7 | -0.4 | 112.6 | R233 W294 K295 | R233-R297 WeakPolarHBondContact CD-O 3.38Å; R233-R297 WeakPolarHBondContact CG-O 3.25Å; R233-R297 PolarHBondContact NE-O 3.45Å; W294-R297 HydrophobicContact CE3-CG 4.34Å; W294-R297 VanDerWaalsContact CZ3-NH1 3.3Å; W294-R297 CarbonylContact O-C 3.55Å; W294-R297 WeakPolarHBondContact O-CA 3.35Å; W294-R297 PolarHBondContact O-N 3.33Å; K295-R297 VanDerWaalsContact C-N 3.29Å; K295-R297 PolarHBondContact O-N 2.91Å |
| 298 | V | 54.8 | Low | 62.5 | Low | 5 Ų | 5 | 82.7 Ų | 82.7 | 3% | 0.03 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -83.2 | -39.6 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | V53 R233 L291 W294 | V53-V298 HydrophobicContact CG2-CG1 4.18Å; R233-V298 WeakPolarHBondContact CD-O 3.42Å; L291-V298 HydrophobicContact CD2-CG1 4.36Å; W294-V298 HydrophobicContact CB-CG2 3.79Å; W294-V298 WeakPolarHBondContact O-CG2 3.39Å; W294-V298 PolarHBondContact O-N 3.36Å |
| 299 | N | 52.2 | Low | 60.7 | Low | 19 Ų | 19 | 90.1 Ų | 90.1 | 10% | 0.102 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -125.5 | 82.7 | 176.6 | -72.1 | -22.8 | 0 | 0 | 0 | 111.4 | E51 R52 K295 | E51-N299 VanDerWaalsContact CA-ND2 3.3Å; E51-N299 WeakPolarHBondContact CA-ND2 3.36Å; E51-N299 WeakPolarHBondContact CB-ND2 3.3Å; E51-N299 PolarHBondContact OE2-ND2 2.87Å; R52-N299 WeakPolarHBondContact CA-OD1 3.24Å; R52-N299 WeakPolarHBondContact CB-OD1 3.31Å; R52-N299 PolarHBondContact N-ND2 3.33Å; R52-N299 PolarHBondContact N-OD1 2.96Å; R52-N299 PolarHBondContact O-OD1 3.39Å; K295-N299 CarbonylContact O-C 3.36Å; K295-N299 WeakPolarHBondContact O-CA 3.19Å; K295-N299 WeakPolarHBondContact O-CB 3.28Å; K295-N299 PolarHBondContact O-N 2.84Å; K295-N299 VanDerWaalsContact O-O 3.11Å |
| 300 | P | 55.8 | Low | 59.1 | Low | 55 Ų | 55 | 92 Ų | 92 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 144.6 | 165.6 | 32 | -39.1 | 0 | 0 | 0 | 109 | R233 | R233-P300 VanDerWaalsContact NH2-CD 3.31Š|
| 301 | A | 50.3 | Low | 57.6 | Low | 78 Ų | 78 | 95.9 Ų | 95.9 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -50 | 145.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I303 | A301-I303 PolarHBondContact O-N 3.11Å; A301-I303 VanDerWaalsContact O-N 3.13Å |
| 302 | P | 50.5 | Low | 56 | Low | 79 Ų | 79 | 98 Ų | 98 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 127.1 | 168.2 | 24.5 | -26.8 | 0 | 0 | 0 | 106.8 | R52 E304 | R52-P302 VanDerWaalsContact NH1-CB 3.33Å; R52-P302 VanDerWaalsContact NH1-N 3.18Å; P302-E304 PolarHBondContact O-N 2.86Å; P302-E304 VanDerWaalsContact O-N 3.14Å |
| 303 | I | 53.9 | Low | 54.9 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -64 | 118.9 | 170.7 | -56.3 | 174.4 | 0 | 0 | 0 | 104.6 | A301 D307 Y308 I311 | A301-I303 PolarHBondContact O-N 3.11Å; A301-I303 VanDerWaalsContact O-N 3.13Å; I303-D307 HydrophobicContact CG2-CB 3.71Å; I303-Y308 VanDerWaalsContact CG2-N 3.3Å; I303-I311 HydrophobicContact CD1-CD1 4.17Å; I303-I311 HydrophobicContact CG2-CD1 3.99Å |
| 304 | E | 46 | Very low | 53.9 | Low | 128 Ų | 128 | 87.9 Ų | 87.9 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 145.8 | 173.8 | -73.7 | -166.3 | 163.5 | 0 | 0 | 108.9 | P302 D306 D307 Y308 | P302-E304 PolarHBondContact O-N 2.86Å; P302-E304 VanDerWaalsContact O-N 3.14Å; E304-D306 PolarHBondContact O-N 3.35Å; E304-D307 PolarHBondContact O-N 3.35Å; E304-Y308 PolarHBondContact O-N 3.24Å |
| 305 | P | 49 | Very low | 53.3 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -50.4 | -36 | -176.6 | -26.4 | 33.6 | 0 | 0 | 0 | 113.1 | Y308 W309 | P305-Y308 WeakPolarHBondContact O-CB 3.18Å; P305-Y308 PolarHBondContact O-N 2.01Å; P305-W309 PolarHBondContact O-N 3.4Å; P305-W309 VanDerWaalsContact O-N 3.08Å |
| 306 | D | 46 | Very low | 52.7 | Low | 124 Ų | 124 | 90.3 Ų | 90.3 | 66% | 0.663 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.9 | -39.5 | -179.8 | -64.4 | -21 | 0 | 0 | 0 | 112.6 | E304 Y308 W309 K310 | E304-D306 PolarHBondContact O-N 3.35Å; D306-Y308 VanDerWaalsContact C-N 3.32Å; D306-W309 PolarHBondContact O-N 3.04Å; D306-K310 WeakPolarHBondContact O-CB 3.3Å; D306-K310 PolarHBondContact O-N 3.15Å |
| 307 | D | 51.7 | Low | 52.7 | Low | 81 Ų | 81 | 92.4 Ų | 92.4 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.5 | -30 | 172.9 | -82.7 | -26.1 | 0 | 0 | 0 | 112 | I303 E304 K310 I311 | I303-D307 HydrophobicContact CG2-CB 3.71Å; E304-D307 PolarHBondContact O-N 3.35Å; D307-K310 PolarHBondContact O-N 3.46Å; D307-I311 WeakPolarHBondContact O-CB 3.35Å; D307-I311 WeakPolarHBondContact O-CD1 3.09Å; D307-I311 WeakPolarHBondContact O-CG1 3.46Å; D307-I311 PolarHBondContact O-N 3.33Å |
| 308 | Y | 48.8 | Very low | 52.3 | Low | 114 Ų | 114 | 93.1 Ų | 93.1 | 45% | 0.447 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 175.4 | -178.7 | -100.3 | 0 | 0 | 0 | 111 | I303 E304 P305 D306 K310 I311 L312 | I303-Y308 VanDerWaalsContact CG2-N 3.3Å; E304-Y308 PolarHBondContact O-N 3.24Å; P305-Y308 WeakPolarHBondContact O-CB 3.18Å; P305-Y308 PolarHBondContact O-N 2.01Å; D306-Y308 VanDerWaalsContact C-N 3.32Å; Y308-K310 VanDerWaalsContact C-N 3.34Å; Y308-I311 PolarHBondContact O-N 3.3Å; Y308-L312 HydrophobicContact CD1-CD1 3.68Å; Y308-L312 HydrophobicContact CE1-CD1 3.26Å; Y308-L312 HydrophobicContact CE1-CG 4.25Å; Y308-L312 HydrophobicContact CG-CD1 4.49Å; Y308-L312 WeakPolarHBondContact O-CB 3.01Å; Y308-L312 WeakPolarHBondContact O-CG 2.92Å; Y308-L312 PolarHBondContact O-N 3.39Å |
| 309 | W | 53.7 | Low | 51.6 | Low | 170 Ų | 170 | 98 Ų | 98 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 172.7 | -79.1 | 114.6 | 0 | 0 | 0 | 112 | P305 D306 L312 T313 | P305-W309 PolarHBondContact O-N 3.4Å; P305-W309 VanDerWaalsContact O-N 3.08Å; D306-W309 PolarHBondContact O-N 3.04Å; W309-L312 HydrophobicContact CE3-CD1 4.25Å; W309-L312 HydrophobicContact CZ3-CD1 4.43Å; W309-L312 PolarHBondContact O-N 2.72Å; W309-T313 VanDerWaalsContact O-CB 3.24Å; W309-T313 WeakPolarHBondContact O-CB 3.37Å; W309-T313 PolarHBondContact O-N 3.4Å; W309-T313 PolarHBondContact O-OG1 3.09Å |
| 310 | K | 53.6 | Low | 51.1 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.3 | -164.4 | 176.5 | -178.6 | 179.2 | 0 | 112.3 | D306 D307 Y308 L312 T313 D314 | D306-K310 WeakPolarHBondContact O-CB 3.3Å; D306-K310 PolarHBondContact O-N 3.15Å; D307-K310 PolarHBondContact O-N 3.46Å; Y308-K310 VanDerWaalsContact C-N 3.34Å; K310-L312 PolarHBondContact O-N 3.48Å; K310-T313 PolarHBondContact O-N 2.86Å; K310-D314 WeakPolarHBondContact O-CB 3.3Å; K310-D314 VanDerWaalsContact O-CG 3.27Å; K310-D314 PolarHBondContact O-N 2.62Å |
| 311 | I | 56.6 | Low | 50.6 | Low | 87 Ų | 87 | 108.4 Ų | 108.4 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -43 | 175.9 | -68.9 | 162.9 | 0 | 0 | 0 | 111.1 | I303 D307 Y308 T313 T315 | I303-I311 HydrophobicContact CD1-CD1 4.17Å; I303-I311 HydrophobicContact CG2-CD1 3.99Å; D307-I311 WeakPolarHBondContact O-CB 3.35Å; D307-I311 WeakPolarHBondContact O-CD1 3.09Å; D307-I311 WeakPolarHBondContact O-CG1 3.46Å; D307-I311 PolarHBondContact O-N 3.33Å; Y308-I311 PolarHBondContact O-N 3.3Å; I311-T313 VanDerWaalsContact C-N 3.33Å; I311-T315 VanDerWaalsContact O-CB 3.29Å; I311-T315 WeakPolarHBondContact O-CB 3.39Å; I311-T315 PolarHBondContact O-N 2.74Å; I311-T315 PolarHBondContact O-OG1 3.39Å |
| 312 | L | 50.3 | Low | 50 | Low | 49 Ų | 49 | 107.5 Ų | 107.5 | 26% | 0.257 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.6 | -42.7 | 175 | -81.4 | 169.6 | 0 | 0 | 0 | 111.7 | I222 Y308 W309 K310 T315 W316 | I222-L312 HydrophobicContact CD1-CD2 3.66Å; Y308-L312 HydrophobicContact CD1-CD1 3.68Å; Y308-L312 HydrophobicContact CE1-CD1 3.26Å; Y308-L312 HydrophobicContact CE1-CG 4.25Å; Y308-L312 HydrophobicContact CG-CD1 4.49Å; Y308-L312 WeakPolarHBondContact O-CB 3.01Å; Y308-L312 WeakPolarHBondContact O-CG 2.92Å; Y308-L312 PolarHBondContact O-N 3.39Å; W309-L312 HydrophobicContact CE3-CD1 4.25Å; W309-L312 HydrophobicContact CZ3-CD1 4.43Å; W309-L312 PolarHBondContact O-N 2.72Å; K310-L312 PolarHBondContact O-N 3.48Å; L312-T315 PolarHBondContact O-N 3.15Å; L312-W316 VanDerWaalsContact O-CB 3.28Å; L312-W316 WeakPolarHBondContact O-CB 3.31Å; L312-W316 PolarHBondContact O-N 2.99Å |
| 313 | T | 57.2 | Low | 49.1 | Very low | 65 Ų | 65 | 112.4 Ų | 112.4 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -43.8 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 111 | W309 K310 I311 T315 W316 N317 | W309-T313 VanDerWaalsContact O-CB 3.24Å; W309-T313 WeakPolarHBondContact O-CB 3.37Å; W309-T313 PolarHBondContact O-N 3.4Å; W309-T313 PolarHBondContact O-OG1 3.09Å; K310-T313 PolarHBondContact O-N 2.86Å; I311-T313 VanDerWaalsContact C-N 3.33Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 3.36Å; T313-W316 PolarHBondContact O-N 2.94Å; T313-N317 WeakPolarHBondContact CG2-ND2 3.26Å; T313-N317 VanDerWaalsContact O-CB 3.23Å; T313-N317 WeakPolarHBondContact O-CB 3.44Å; T313-N317 PolarHBondContact O-N 3.48Å; T313-N317 PolarHBondContact O-ND2 3.42Å |
| 314 | D | 56.8 | Low | 48 | Very low | 82 Ų | 82 | 114.3 Ų | 114.3 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -39.4 | 174.5 | -72.9 | -19.3 | 0 | 0 | 0 | 111.6 | K310 W316 N317 Q318 | K310-D314 WeakPolarHBondContact O-CB 3.3Å; K310-D314 VanDerWaalsContact O-CG 3.27Å; K310-D314 PolarHBondContact O-N 2.62Å; D314-W316 VanDerWaalsContact C-N 3.33Å; D314-N317 PolarHBondContact O-N 3.34Å; D314-Q318 WeakPolarHBondContact O-CB 3.32Å; D314-Q318 VanDerWaalsContact O-CG 3.27Å; D314-Q318 WeakPolarHBondContact O-CG 3.48Å; D314-Q318 PolarHBondContact O-N 3.39Å |
| 315 | T | 54.2 | Low | 47.4 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 39% | 0.393 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68 | -34.7 | 175.5 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | I311 L312 T313 | I311-T315 VanDerWaalsContact O-CB 3.29Å; I311-T315 WeakPolarHBondContact O-CB 3.39Å; I311-T315 PolarHBondContact O-N 2.74Å; I311-T315 PolarHBondContact O-OG1 3.39Å; L312-T315 PolarHBondContact O-N 3.15Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 3.36Å |
| 316 | W | 52.5 | Low | 46.6 | Very low | 172 Ų | 172 | 117.4 Ų | 117.4 | 65% | 0.652 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.6 | -39.2 | 175.9 | -169.8 | -93.6 | 0 | 0 | 0 | 112.2 | L312 T313 D314 Q318 K319 | L312-W316 VanDerWaalsContact O-CB 3.28Å; L312-W316 WeakPolarHBondContact O-CB 3.31Å; L312-W316 PolarHBondContact O-N 2.99Å; T313-W316 PolarHBondContact O-N 2.94Å; D314-W316 VanDerWaalsContact C-N 3.33Å; W316-Q318 VanDerWaalsContact C-N 3.34Å; W316-K319 WeakPolarHBondContact O-CB 3.25Å; W316-K319 WeakPolarHBondContact O-CG 3.42Å; W316-K319 PolarHBondContact O-N 3.34Å |
| 317 | N | 53.8 | Low | 45.9 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.7 | -19.4 | 179.8 | -68.2 | -16.8 | 0 | 0 | 0 | 113.1 | T313 D314 K319 | T313-N317 WeakPolarHBondContact CG2-ND2 3.26Å; T313-N317 VanDerWaalsContact O-CB 3.23Å; T313-N317 WeakPolarHBondContact O-CB 3.44Å; T313-N317 PolarHBondContact O-N 3.48Å; T313-N317 PolarHBondContact O-ND2 3.42Å; D314-N317 PolarHBondContact O-N 3.34Å; N317-K319 PolarHBondContact O-N 3.46Å |
| 318 | Q | 50.6 | Low | 45 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 4 | 170.4 | -80.1 | -179.5 | 11.3 | 0 | 0 | 114.1 | D314 W316 P320 | D314-Q318 WeakPolarHBondContact O-CB 3.32Å; D314-Q318 VanDerWaalsContact O-CG 3.27Å; D314-Q318 WeakPolarHBondContact O-CG 3.48Å; D314-Q318 PolarHBondContact O-N 3.39Å; W316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-P320 WeakPolarHBondContact O-CD 3.43Å |
| 319 | K | 41.2 | Very low | 44.3 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 47% | 0.465 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -64.5 | 123.1 | 167.9 | -78.9 | 180 | 178.9 | 171.6 | 0 | 109.2 | W316 N317 I321 | W316-K319 WeakPolarHBondContact O-CB 3.25Å; W316-K319 WeakPolarHBondContact O-CG 3.42Å; W316-K319 PolarHBondContact O-N 3.34Å; N317-K319 PolarHBondContact O-N 3.46Å; K319-I321 PolarHBondContact O-N 2.76Å |
| 320 | P | 41.4 | Very low | 43.3 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | trans | -62.8 | 116.3 | 163.1 | 25.6 | -28.6 | 0 | 0 | 0 | 107.3 | Q318 G322 | Q318-P320 WeakPolarHBondContact O-CD 3.43Å; P320-G322 PolarHBondContact O-N 2.88Å | ||
| 321 | I | 43.9 | Very low | 42.3 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 94% | 0.938 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -61 | 90.6 | 163.9 | -60 | 168.9 | 0 | 0 | 0 | 105.7 | K319 | K319-I321 PolarHBondContact O-N 2.76Š|
| 322 | G | 37.9 | Very low | 41 | Very low | 60 Ų | 60 | 130.3 Ų | 130.3 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 157.9 | 46.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P320 | P320-G322 PolarHBondContact O-N 2.88Š|
| 323 | K | 32.1 | Very low | 40.1 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 172.1 | 75 | 144 | -96.8 | 168.1 | -176.7 | 178.9 | 0 | 109.5 | I325 | K323-I325 HydrophobicContact CB-CG1 4.28Å; K323-I325 HydrophobicContact CG-CG1 4.34Å; K323-I325 PolarHBondContact O-N 3.25Å | ||
| 324 | C | 31 | Very low | 39 | Very low | 133 Ų | 133 | 147 Ų | 147 | 90% | 0.899 | 76% | 0.755 | S | S | * | * | trans | -64.9 | 91.3 | 141.8 | -79.1 | 0 | 0 | 0 | 0 | 106.2 | L326 | C324-L326 PolarHBondContact O-N 3.15Å; C324-L326 VanDerWaalsContact O-N 3.17Å | ||
| 325 | I | 33.8 | Very low | 38.1 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 109.6 | 160.6 | -65.7 | 175.9 | 0 | 0 | 0 | 104.9 | K323 L327 | K323-I325 HydrophobicContact CB-CG1 4.28Å; K323-I325 HydrophobicContact CG-CG1 4.34Å; K323-I325 PolarHBondContact O-N 3.25Å; I325-L327 PolarHBondContact O-N 3.29Å | ||
| 326 | L | 32.8 | Very low | 37.3 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -41.5 | 102.4 | 166.4 | -77.6 | 145.3 | 0 | 0 | 0 | 110.2 | C324 N328 | C324-L326 PolarHBondContact O-N 3.15Å; C324-L326 VanDerWaalsContact O-N 3.17Å; L326-N328 VanDerWaalsContact C-N 3.28Å; L326-N328 PolarHBondContact O-N 3.06Å | ||
| 327 | L | 31.2 | Very low | 36.4 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -90 | 77.9 | 150.3 | -84 | 164.7 | 0 | 0 | 0 | 106.3 | I325 | I325-L327 PolarHBondContact O-N 3.29Š| ||
| 328 | N | 32.5 | Very low | 35.4 | Very low | 133 Ų | 133 | 156.5 Ų | 156.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -147.8 | 137.6 | 154.8 | -134.8 | -1.6 | 0 | 0 | 0 | 110.3 | L326 | L326-N328 VanDerWaalsContact C-N 3.28Å; L326-N328 PolarHBondContact O-N 3.06Å | ||
| 329 | N | 34 | Very low | 34.4 | Very low | 143 Ų | 143 | 156.3 Ų | 156.3 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | trans | 84.4 | 86.1 | 176.7 | -58.2 | -18.2 | 0 | 0 | 0 | 117.7 | ||||
| 330 | R | 31.8 | Very low | 34 | Very low | 244 Ų | 244 | 159.6 Ų | 159.6 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -155.5 | 76.1 | 131.8 | -97.7 | -171.1 | -152.3 | -164.5 | 6.1 | 110.5 | ||||
| 331 | H | 33.1 | Very low | 33.5 | Very low | 201 Ų | 201 | 163.1 Ų | 163.1 | 93% | 0.931 | 85% | 0.848 | S | S | * | * | trans | -120.8 | 99.5 | 139.3 | -94.1 | -60.3 | 0 | 0 | 0 | 106.2 | ||||
| 332 | G | 29.4 | Very low | 32.7 | Very low | 77 Ų | 77 | 161.6 Ų | 161.6 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | -77.3 | 127.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 333 | T | 30.7 | Very low | 32.2 | Very low | 143 Ų | 143 | 170.1 Ų | 170.1 | 88% | 0.877 | 86% | 0.859 | S | S | * | * | trans | -89 | 118.2 | 145.5 | 34.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 334 | R | 34.3 | Very low | 32.2 | Very low | 323 Ų | 323 | 169 Ų | 169 | 100% | 1.219 | 87% | 0.865 | S | S | * | * | trans | -152.4 | 0 | 142.2 | -107.9 | -172.2 | -169.6 | -172.2 | 3 | 108.4 |
Retrieved 334 of 334 residues in 260.9 ms
(Link to these results)