| 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 | 43.2 | Very low | 50.4 | Low | 211 Ų | 211 | 88 Ų | 88 | 100% | 1.039 | 47% | 0.471 | S | S | * | . | 0 | -49.6 | 0 | -129.9 | 170 | 176.8 | 0 | 0 | 111.4 | M3 V4 A5 | M1-M3 VanDerWaalsContact C-N 3.34Å; M1-M3 PolarHBondContact O-N 3.4Å; M1-V4 PolarHBondContact O-N 3.33Å; M1-V4 VanDerWaalsContact O-N 3.15Å; M1-A5 PolarHBondContact O-N 3.15Å | |||
| 2 | T | 46.9 | Very low | 50.8 | Low | 104 Ų | 104 | 84.5 Ų | 84.5 | 64% | 0.638 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -52.8 | -42.2 | 173 | 38.8 | 0 | 0 | 0 | 0 | 114.2 | V4 A5 L6 | T2-V4 PolarHBondContact O-N 2.93Å; T2-A5 PolarHBondContact O-N 3.07Å; T2-L6 VanDerWaalsContact O-CG 3.3Å; T2-L6 WeakPolarHBondContact O-CG 3.27Å; T2-L6 PolarHBondContact O-N 2.98Å |
| 3 | M | 39.9 | Very low | 51.3 | Low | 99 Ų | 99 | 79.7 Ų | 79.7 | 49% | 0.488 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.5 | -32.5 | 177.9 | -76 | -141.9 | 77.2 | 0 | 0 | 114.7 | M1 L6 S7 N39 | M1-M3 VanDerWaalsContact C-N 3.34Å; M1-M3 PolarHBondContact O-N 3.4Å; M3-L6 PolarHBondContact O-N 3.38Å; M3-S7 WeakPolarHBondContact O-CB 3.47Å; M3-S7 PolarHBondContact O-N 3.28Å; M3-N39 HydrophobicContact CE-CB 4.07Å; M3-N39 HydrophobicContact SD-CB 4.41Å |
| 4 | V | 47.6 | Very low | 51.4 | Low | 92 Ų | 92 | 87.9 Ų | 87.9 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.5 | -45.5 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | M1 T2 L6 S7 D8 | M1-V4 PolarHBondContact O-N 3.33Å; M1-V4 VanDerWaalsContact O-N 3.15Å; T2-V4 PolarHBondContact O-N 2.93Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.36Å; V4-S7 PolarHBondContact O-N 3.03Å; V4-S7 VanDerWaalsContact O-N 3.11Å; V4-S7 PolarHBondContact O-OG 3.46Å; V4-D8 PolarHBondContact O-N 3.35Å |
| 5 | A | 54.2 | Low | 51.5 | Low | 55 Ų | 55 | 93.5 Ų | 93.5 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 T2 S7 D8 V9 | M1-A5 PolarHBondContact O-N 3.15Å; T2-A5 PolarHBondContact O-N 3.07Å; A5-S7 VanDerWaalsContact C-N 3.32Å; A5-S7 PolarHBondContact O-N 3.29Å; A5-D8 PolarHBondContact O-N 3.41Å; A5-V9 VanDerWaalsContact O-CG2 3.23Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 3.5Å |
| 6 | L | 53.7 | Low | 51.7 | Low | 39 Ų | 39 | 90.1 Ų | 90.1 | 20% | 0.204 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 177.6 | -68.4 | 168.3 | 0 | 0 | 0 | 112.9 | T2 M3 V4 S10 L29 L43 | T2-L6 VanDerWaalsContact O-CG 3.3Å; T2-L6 WeakPolarHBondContact O-CG 3.27Å; T2-L6 PolarHBondContact O-N 2.98Å; M3-L6 PolarHBondContact O-N 3.38Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.36Å; L6-S10 PolarHBondContact O-N 3.02Å; L6-L29 HydrophobicContact CD2-CD2 4.48Å; L6-L43 HydrophobicContact CB-CD2 4.27Å; L6-L43 HydrophobicContact CD2-CD2 3.63Å; L6-L43 HydrophobicContact CG-CD2 4.46Å |
| 7 | S | 51.4 | Low | 52 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 175.9 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | M3 V4 A5 S10 R11 | M3-S7 WeakPolarHBondContact O-CB 3.47Å; M3-S7 PolarHBondContact O-N 3.28Å; V4-S7 PolarHBondContact O-N 3.03Å; V4-S7 VanDerWaalsContact O-N 3.11Å; V4-S7 PolarHBondContact O-OG 3.46Å; A5-S7 VanDerWaalsContact C-N 3.32Å; A5-S7 PolarHBondContact O-N 3.29Å; S7-S10 WeakPolarHBondContact O-CB 3.4Å; S7-S10 PolarHBondContact O-N 3.01Å; S7-R11 PolarHBondContact O-N 2.73Å |
| 8 | D | 53.4 | Low | 52.8 | Low | 76 Ų | 76 | 97.4 Ų | 97.4 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.3 | -41.1 | 174.4 | -72.9 | -33.1 | 0 | 0 | 0 | 111 | V4 A5 S10 R11 S12 | V4-D8 PolarHBondContact O-N 3.35Å; A5-D8 PolarHBondContact O-N 3.41Å; D8-S10 VanDerWaalsContact C-N 3.27Å; D8-S10 PolarHBondContact O-N 3.09Å; D8-R11 WeakPolarHBondContact O-CA 3.5Å; D8-R11 WeakPolarHBondContact O-CB 3.44Å; D8-R11 PolarHBondContact O-N 3.29Å; D8-S12 PolarHBondContact O-N 3.29Å; D8-S12 PolarHBondContact O-OG 3.11Å |
| 9 | V | 57.6 | Low | 54.1 | Low | 41 Ų | 41 | 96.4 Ų | 96.4 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -55.4 | -44.4 | 171.3 | 170.1 | 0 | 0 | 0 | 0 | 111 | A5 R11 S12 I13 L25 L43 | A5-V9 VanDerWaalsContact O-CG2 3.23Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 3.5Å; V9-R11 PolarHBondContact O-N 2.93Å; V9-S12 PolarHBondContact O-N 2.79Å; V9-I13 HydrophobicContact CG1-CD1 4.45Å; V9-I13 WeakPolarHBondContact O-CG1 3.23Å; V9-I13 PolarHBondContact O-N 3Å; V9-I13 VanDerWaalsContact O-N 3.07Å; V9-L25 HydrophobicContact CG1-CD1 3.33Å; V9-L25 HydrophobicContact CG1-CG 4.29Å; V9-L43 HydrophobicContact CG1-CD1 4Å |
| 10 | S | 53.8 | Low | 55.4 | Low | 7 Ų | 7 | 97.7 Ų | 97.7 | 5% | 0.049 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -57.4 | -35 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | L6 S7 D8 K46 | L6-S10 PolarHBondContact O-N 3.02Å; S7-S10 WeakPolarHBondContact O-CB 3.4Å; S7-S10 PolarHBondContact O-N 3.01Å; D8-S10 VanDerWaalsContact C-N 3.27Å; D8-S10 PolarHBondContact O-N 3.09Å; S10-K46 VanDerWaalsContact O-CD 3.26Å; S10-K46 WeakPolarHBondContact O-CD 3.45Å; S10-K46 PolarHBondContact O-NZ 3.1Å; S10-K46 WeakPolarHBondContact OG-CD 3.45Å; S10-K46 WeakPolarHBondContact OG-CE 3.17Å; S10-K46 PolarHBondContact OG-NZ 2.99Å |
| 11 | R | 52.5 | Low | 56.6 | Low | 188 Ų | 188 | 97.5 Ų | 97.5 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -76 | -34.1 | 175.3 | -71.1 | 179.9 | -176.3 | 160.7 | -0.1 | 112.2 | S7 D8 V9 | S7-R11 PolarHBondContact O-N 2.73Å; D8-R11 WeakPolarHBondContact O-CA 3.5Å; D8-R11 WeakPolarHBondContact O-CB 3.44Å; D8-R11 PolarHBondContact O-N 3.29Å; V9-R11 PolarHBondContact O-N 2.93Å |
| 12 | S | 55.7 | Low | 58.3 | Low | 46 Ų | 46 | 87.4 Ų | 87.4 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.3 | -21.7 | -177.8 | -61.6 | 0 | 0 | 0 | 0 | 114.5 | D8 V9 K14 K15 F16 | D8-S12 PolarHBondContact O-N 3.29Å; D8-S12 PolarHBondContact O-OG 3.11Å; V9-S12 PolarHBondContact O-N 2.79Å; S12-K14 PolarHBondContact O-N 3.43Å; S12-K15 WeakPolarHBondContact O-CA 3.42Å; S12-K15 PolarHBondContact O-N 2.92Å; S12-F16 VanDerWaalsContact CB-CZ 3.48Å; S12-F16 WeakPolarHBondContact O-CD2 3.5Å; S12-F16 PolarHBondContact O-N 2.83Å |
| 13 | I | 56.9 | Low | 60.1 | Low | 22 Ų | 22 | 84.1 Ų | 84.1 | 11% | 0.113 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.8 | 179.2 | -70.3 | 165.3 | 0 | 0 | 0 | 113.7 | V9 K15 F16 L43 K46 V47 | V9-I13 HydrophobicContact CG1-CD1 4.45Å; V9-I13 WeakPolarHBondContact O-CG1 3.23Å; V9-I13 PolarHBondContact O-N 3Å; V9-I13 VanDerWaalsContact O-N 3.07Å; I13-K15 VanDerWaalsContact C-N 3.3Å; I13-K15 PolarHBondContact O-N 3.33Å; I13-F16 HydrophobicContact CB-CD2 4.49Å; I13-F16 HydrophobicContact CG1-CD2 4.32Å; I13-F16 HydrophobicContact CG1-CE2 4.17Å; I13-L43 HydrophobicContact CD1-CD1 3.79Å; I13-K46 HydrophobicContact CD1-CB 4.27Å; I13-V47 HydrophobicContact CD1-CG2 3.87Å |
| 14 | K | 53.1 | Low | 62.3 | Low | 195 Ų | 195 | 84.6 Ų | 84.6 | 85% | 0.848 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11 | 175.8 | -75.2 | -168.6 | 174.1 | -170.9 | 0 | 114.6 | S12 | S12-K14 PolarHBondContact O-N 3.43Š|
| 15 | K | 52.7 | Low | 64 | Low | 171 Ų | 171 | 81.3 Ų | 81.3 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.8 | -175.8 | -71.6 | -171.6 | 175.2 | -173.9 | 0 | 113.5 | S12 I13 H17 | S12-K15 WeakPolarHBondContact O-CA 3.42Å; S12-K15 PolarHBondContact O-N 2.92Å; I13-K15 VanDerWaalsContact C-N 3.3Å; I13-K15 PolarHBondContact O-N 3.33Å; K15-H17 PolarHBondContact O-N 3.22Å |
| 16 | F | 54.8 | Low | 65.5 | Low | 40 Ų | 40 | 78.7 Ų | 78.7 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | trans | -71 | 96.5 | 178.1 | -66.8 | -51.7 | 0 | 0 | 0 | 109.9 | S12 I13 E21 L25 | S12-F16 VanDerWaalsContact CB-CZ 3.48Å; S12-F16 WeakPolarHBondContact O-CD2 3.5Å; S12-F16 PolarHBondContact O-N 2.83Å; I13-F16 HydrophobicContact CB-CD2 4.49Å; I13-F16 HydrophobicContact CG1-CD2 4.32Å; I13-F16 HydrophobicContact CG1-CE2 4.17Å; F16-E21 HydrophobicContact CD1-CB 4.01Å; F16-E21 WeakPolarHBondContact CD1-OE2 3.39Å; F16-E21 HydrophobicContact CE1-CB 4.16Å; F16-E21 WeakPolarHBondContact CE1-OE2 3.33Å; F16-L25 HydrophobicContact CE2-CD1 3.87Å; F16-L25 HydrophobicContact CZ-CD1 4.4Å | ||
| 17 | H | 56.5 | Low | 67.1 | Low | 188 Ų | 188 | 80.1 Ų | 80.1 | 87% | 0.87 | 39% | 0.392 | S | S | * | . | trans | -87.2 | -10 | 165.2 | -88.6 | -52.9 | 0 | 0 | 0 | 112.2 | K15 | K15-H17 PolarHBondContact O-N 3.22Š| ||
| 18 | E | 67.4 | Low | 68.7 | Low | 124 Ų | 124 | 79 Ų | 79 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | trans | -101.4 | 118.7 | -177.3 | -65.5 | -177.5 | -176.8 | 0 | 0 | 110.2 | D20 E21 | E18-D20 VanDerWaalsContact C-N 3.29Å; E18-D20 PolarHBondContact O-N 2.93Å; E18-E21 HydrophobicContact CB-CG 4.2Å; E18-E21 PolarHBondContact O-N 3.34Å | ||
| 19 | E | 76.7 | Confident | 70.2 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | -177 | -61.5 | -166.4 | 155.3 | 0 | 0 | 112.4 | E21 M22 L23 S56 V59 | E19-E21 PolarHBondContact O-N 2.85Å; E19-M22 WeakPolarHBondContact O-CB 3.49Å; E19-M22 PolarHBondContact O-N 3.03Å; E19-L23 PolarHBondContact O-N 3.07Å; E19-S56 VanDerWaalsContact CD-OG 3.32Å; E19-S56 WeakPolarHBondContact OE1-CB 3.42Å; E19-S56 PolarHBondContact OE1-N 2.63Å; E19-S56 WeakPolarHBondContact OE2-CB 3.26Å; E19-S56 PolarHBondContact OE2-OG 2.8Å; E19-V59 HydrophobicContact CB-CG2 4.13Å |
| 20 | D | 79.2 | Confident | 71.5 | Confident | 122 Ų | 122 | 77.3 Ų | 77.3 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | -178.6 | -67.1 | -25.3 | 0 | 0 | 0 | 112.1 | E18 M22 L23 V24 | E18-D20 VanDerWaalsContact C-N 3.29Å; E18-D20 PolarHBondContact O-N 2.93Å; D20-M22 VanDerWaalsContact C-N 3.27Å; D20-M22 PolarHBondContact O-N 3.33Å; D20-L23 PolarHBondContact O-N 3.03Å; D20-V24 WeakPolarHBondContact O-CG2 3.05Å; D20-V24 PolarHBondContact O-N 3.22Å |
| 21 | E | 80.8 | Confident | 73 | Confident | 93 Ų | 93 | 84.8 Ų | 84.8 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 177.7 | -63.7 | -166.7 | 139.2 | 0 | 0 | 111.4 | F16 E18 E19 L25 | F16-E21 HydrophobicContact CD1-CB 4.01Å; F16-E21 WeakPolarHBondContact CD1-OE2 3.39Å; F16-E21 HydrophobicContact CE1-CB 4.16Å; F16-E21 WeakPolarHBondContact CE1-OE2 3.33Å; E18-E21 HydrophobicContact CB-CG 4.2Å; E18-E21 PolarHBondContact O-N 3.34Å; E19-E21 PolarHBondContact O-N 2.85Å; E21-L25 VanDerWaalsContact O-CB 3.27Å; E21-L25 WeakPolarHBondContact O-CB 3.39Å; E21-L25 PolarHBondContact O-N 2.67Å |
| 22 | M | 79.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 177.9 | -166.5 | 65.5 | -163.3 | 0 | 0 | 111.8 | E19 D20 L25 L26 L50 F55 V59 | E19-M22 WeakPolarHBondContact O-CB 3.49Å; E19-M22 PolarHBondContact O-N 3.03Å; D20-M22 VanDerWaalsContact C-N 3.27Å; D20-M22 PolarHBondContact O-N 3.33Å; M22-L25 HydrophobicContact CE-CD2 3.9Å; M22-L25 PolarHBondContact O-N 2.98Å; M22-L25 HydrophobicContact SD-CD2 4.11Å; M22-L26 HydrophobicContact CE-CD1 4.06Å; M22-L26 HydrophobicContact CE-CD2 3.92Å; M22-L26 HydrophobicContact CE-CG 3.89Å; M22-L26 HydrophobicContact CG-CD1 4.15Å; M22-L26 WeakPolarHBondContact O-CB 3.42Å; M22-L26 VanDerWaalsContact O-CG 3.28Å; M22-L26 WeakPolarHBondContact O-CG 3.49Å; M22-L26 PolarHBondContact O-N 3.28Å; M22-L50 HydrophobicContact CE-CD1 3.52Å; M22-L50 HydrophobicContact CE-CD2 3.85Å; M22-L50 HydrophobicContact CE-CG 4.31Å; M22-L50 HydrophobicContact SD-CD1 4.31Å; M22-F55 HydrophobicContact CB-CE1 4.47Å; M22-F55 HydrophobicContact CG-CE1 4.38Å; M22-V59 HydrophobicContact CB-CG1 4.31Å; M22-V59 HydrophobicContact CG-CG1 3.75Å |
| 23 | L | 84.3 | Confident | 75.5 | Confident | 35 Ų | 35 | 77 Ų | 77 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 173.9 | -73.6 | 172.9 | 0 | 0 | 0 | 111.2 | E19 D20 L25 L26 D27 V59 A62 | E19-L23 PolarHBondContact O-N 3.07Å; D20-L23 PolarHBondContact O-N 3.03Å; L23-L25 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 2.95Å; L23-L26 VanDerWaalsContact O-N 3.14Å; L23-D27 WeakPolarHBondContact O-CB 3.08Å; L23-D27 PolarHBondContact O-N 2.83Å; L23-V59 HydrophobicContact CD2-CB 4.43Å; L23-V59 HydrophobicContact CD2-CG2 4.05Å; L23-V59 HydrophobicContact CG-CG2 4.01Å; L23-A62 HydrophobicContact CD2-CB 3.75Å |
| 24 | V | 85.9 | Confident | 76.4 | Confident | 108 Ų | 108 | 83 Ų | 83 | 66% | 0.655 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.2 | -39.2 | 177.3 | 174 | 0 | 0 | 0 | 0 | 111.3 | D20 G28 | D20-V24 WeakPolarHBondContact O-CG2 3.05Å; D20-V24 PolarHBondContact O-N 3.22Å; V24-G28 PolarHBondContact O-N 3.16Å |
| 25 | L | 84.1 | Confident | 77.5 | Confident | 23 Ų | 23 | 79 Ų | 79 | 12% | 0.12 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 176.6 | 178.9 | 149.3 | 0 | 0 | 0 | 112.2 | V9 F16 E21 M22 L23 G28 L29 | V9-L25 HydrophobicContact CG1-CD1 3.33Å; V9-L25 HydrophobicContact CG1-CG 4.29Å; F16-L25 HydrophobicContact CE2-CD1 3.87Å; F16-L25 HydrophobicContact CZ-CD1 4.4Å; E21-L25 VanDerWaalsContact O-CB 3.27Å; E21-L25 WeakPolarHBondContact O-CB 3.39Å; E21-L25 PolarHBondContact O-N 2.67Å; M22-L25 HydrophobicContact CE-CD2 3.9Å; M22-L25 PolarHBondContact O-N 2.98Å; M22-L25 HydrophobicContact SD-CD2 4.11Å; L23-L25 PolarHBondContact O-N 2.97Å; L25-G28 PolarHBondContact O-N 3.26Å; L25-L29 HydrophobicContact CD2-CD1 3.58Å; L25-L29 HydrophobicContact CD2-CG 4.36Å; L25-L29 HydrophobicContact CG-CD1 4.32Å; L25-L29 WeakPolarHBondContact O-CB 3.12Å; L25-L29 WeakPolarHBondContact O-CG 3.13Å; L25-L29 PolarHBondContact O-N 3.2Å |
| 26 | L | 85.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 179.2 | -72.2 | 169.4 | 0 | 0 | 0 | 111.4 | M22 L23 G28 L29 E30 V47 V59 A62 H63 F66 | M22-L26 HydrophobicContact CE-CD1 4.06Å; M22-L26 HydrophobicContact CE-CD2 3.92Å; M22-L26 HydrophobicContact CE-CG 3.89Å; M22-L26 HydrophobicContact CG-CD1 4.15Å; M22-L26 WeakPolarHBondContact O-CB 3.42Å; M22-L26 VanDerWaalsContact O-CG 3.28Å; M22-L26 WeakPolarHBondContact O-CG 3.49Å; M22-L26 PolarHBondContact O-N 3.28Å; L23-L26 PolarHBondContact O-N 2.95Å; L23-L26 VanDerWaalsContact O-N 3.14Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.24Å; L26-L29 PolarHBondContact O-N 3.28Å; L26-E30 WeakPolarHBondContact O-CB 3.22Å; L26-E30 PolarHBondContact O-N 3.24Å; L26-V47 HydrophobicContact CD2-CG1 4.05Å; L26-V59 HydrophobicContact CD1-CG1 3.97Å; L26-A62 HydrophobicContact CB-CB 4.12Å; L26-A62 HydrophobicContact CD1-CB 3.94Å; L26-H63 HydrophobicContact CD1-CB 4.06Å; L26-F66 HydrophobicContact CD2-CB 4.37Å; L26-F66 HydrophobicContact CD2-CD1 4.42Å; L26-F66 HydrophobicContact CD2-CG 4.44Å |
| 27 | D | 86.9 | Confident | 79 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -41 | 176 | -71.9 | -11.8 | 0 | 0 | 0 | 111.1 | L23 E30 Q31 | L23-D27 WeakPolarHBondContact O-CB 3.08Å; L23-D27 PolarHBondContact O-N 2.83Å; D27-E30 PolarHBondContact O-N 2.91Å; D27-Q31 WeakPolarHBondContact O-CG 3.37Å; D27-Q31 PolarHBondContact O-N 2.84Å; D27-Q31 VanDerWaalsContact O-N 3.13Å |
| 28 | G | 85.7 | Confident | 79.4 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V24 L25 L26 C32 | V24-G28 PolarHBondContact O-N 3.16Å; L25-G28 PolarHBondContact O-N 3.26Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.24Å; G28-C32 WeakPolarHBondContact O-CB 3.4Å; G28-C32 PolarHBondContact O-N 3.47Å; G28-C32 PolarHBondContact O-SG 3.48Å |
| 29 | L | 84.4 | Confident | 79.3 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 174.6 | -74.6 | 176.5 | 0 | 0 | 0 | 112.1 | L6 L25 L26 Q31 C32 V33 L36 L43 V47 F66 | L6-L29 HydrophobicContact CD2-CD2 4.48Å; L25-L29 HydrophobicContact CD2-CD1 3.58Å; L25-L29 HydrophobicContact CD2-CG 4.36Å; L25-L29 HydrophobicContact CG-CD1 4.32Å; L25-L29 WeakPolarHBondContact O-CB 3.12Å; L25-L29 WeakPolarHBondContact O-CG 3.13Å; L25-L29 PolarHBondContact O-N 3.2Å; L26-L29 PolarHBondContact O-N 3.28Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-C32 CarbonylContact O-C 3.52Å; L29-C32 PolarHBondContact O-N 3.13Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.27Å; L29-V33 PolarHBondContact O-N 3.47Å; L29-L36 HydrophobicContact CD2-CD1 4.4Å; L29-L36 HydrophobicContact CD2-CD2 4.21Å; L29-L43 HydrophobicContact CD2-CD2 4.12Å; L29-V47 HydrophobicContact CD1-CG1 4.33Å; L29-V47 HydrophobicContact CD1-CG2 3.89Å; L29-F66 HydrophobicContact CB-CD2 3.71Å; L29-F66 HydrophobicContact CB-CE2 3.56Å; L29-F66 HydrophobicContact CB-CZ 4.35Å; L29-F66 HydrophobicContact CD1-CE2 4.46Å; L29-F66 HydrophobicContact CD1-CZ 4.47Å |
| 30 | E | 85.2 | Confident | 79.2 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 175 | -172.6 | -179.6 | 157.7 | 0 | 0 | 111.5 | L26 D27 C32 V33 A69 | L26-E30 WeakPolarHBondContact O-CB 3.22Å; L26-E30 PolarHBondContact O-N 3.24Å; D27-E30 PolarHBondContact O-N 2.91Å; E30-C32 VanDerWaalsContact C-N 3.31Å; E30-C32 PolarHBondContact O-N 3.3Å; E30-V33 VanDerWaalsContact O-CG2 3.22Å; E30-V33 WeakPolarHBondContact O-CG2 3.38Å; E30-A69 HydrophobicContact CG-CB 3.91Å |
| 31 | Q | 84.4 | Confident | 79 | Confident | 164 Ų | 164 | 62.6 Ų | 62.6 | 77% | 0.766 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -72.7 | -22.8 | 176.3 | -67.8 | 175.3 | 16.5 | 0 | 0 | 113.7 | D27 L29 | D27-Q31 WeakPolarHBondContact O-CG 3.37Å; D27-Q31 PolarHBondContact O-N 2.84Å; D27-Q31 VanDerWaalsContact O-N 3.13Å; L29-Q31 VanDerWaalsContact C-N 3.32Å |
| 32 | C | 81.5 | Confident | 78.9 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 16.9 | -175 | -63.9 | 0 | 0 | 0 | 0 | 113.4 | G28 L29 E30 D34 I35 | G28-C32 WeakPolarHBondContact O-CB 3.4Å; G28-C32 PolarHBondContact O-N 3.47Å; G28-C32 PolarHBondContact O-SG 3.48Å; L29-C32 CarbonylContact O-C 3.52Å; L29-C32 PolarHBondContact O-N 3.13Å; E30-C32 VanDerWaalsContact C-N 3.31Å; E30-C32 PolarHBondContact O-N 3.3Å; C32-D34 PolarHBondContact O-N 2.92Å; C32-D34 VanDerWaalsContact O-N 3.16Å; C32-I35 PolarHBondContact O-N 3.29Å |
| 33 | V | 79 | Confident | 78.9 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -56.3 | -36.3 | -172.7 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | L29 E30 I35 L36 F66 A69 L70 S73 | L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.27Å; L29-V33 PolarHBondContact O-N 3.47Å; E30-V33 VanDerWaalsContact O-CG2 3.22Å; E30-V33 WeakPolarHBondContact O-CG2 3.38Å; V33-I35 PolarHBondContact O-N 3.37Å; V33-I35 VanDerWaalsContact O-N 3.09Å; V33-L36 HydrophobicContact CG2-CD1 4.49Å; V33-L36 WeakPolarHBondContact O-CB 3.48Å; V33-L36 PolarHBondContact O-N 3.02Å; V33-F66 HydrophobicContact CG2-CD2 4.42Å; V33-F66 HydrophobicContact CG2-CE2 4.27Å; V33-A69 HydrophobicContact CG2-CB 4.01Å; V33-L70 HydrophobicContact CG1-CD1 4.21Å; V33-S73 WeakPolarHBondContact CG1-OG 3.28Å |
| 34 | D | 75.1 | Confident | 78.8 | Confident | 149 Ų | 149 | 60.4 Ų | 60.4 | 80% | 0.797 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -60.3 | -24 | -180 | -62.7 | -28.3 | 0 | 0 | 0 | 113.8 | C32 | C32-D34 PolarHBondContact O-N 2.92Å; C32-D34 VanDerWaalsContact O-N 3.16Å |
| 35 | I | 77.2 | Confident | 78.6 | Confident | 109 Ų | 109 | 60 Ų | 60 | 56% | 0.559 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -90.3 | -16.6 | -178.6 | -51.8 | 173.8 | 0 | 0 | 0 | 110.9 | C32 V33 N37 | C32-I35 PolarHBondContact O-N 3.29Å; V33-I35 PolarHBondContact O-N 3.37Å; V33-I35 VanDerWaalsContact O-N 3.09Å; I35-N37 PolarHBondContact O-N 3.04Å |
| 36 | L | 70.8 | Confident | 78.5 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | trans | -75.4 | 69.4 | -178.1 | -63 | 175.2 | 0 | 0 | 0 | 111.2 | L29 V33 C40 L44 F66 L70 | L29-L36 HydrophobicContact CD2-CD1 4.4Å; L29-L36 HydrophobicContact CD2-CD2 4.21Å; V33-L36 HydrophobicContact CG2-CD1 4.49Å; V33-L36 WeakPolarHBondContact O-CB 3.48Å; V33-L36 PolarHBondContact O-N 3.02Å; L36-C40 HydrophobicContact CD2-CB 4.25Å; L36-L44 HydrophobicContact CB-CD2 4.48Å; L36-L44 HydrophobicContact CD1-CD2 4.21Å; L36-F66 HydrophobicContact CD1-CE2 3.63Å; L36-F66 HydrophobicContact CD1-CZ 3.89Å; L36-L70 HydrophobicContact CB-CD1 4.43Å; L36-L70 HydrophobicContact CD1-CD1 4.48Å | ||
| 37 | N | 67.4 | Low | 78.3 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | trans | -86.7 | -175.7 | 175.6 | 64.6 | 26.2 | 0 | 0 | 0 | 112.3 | I35 N39 C40 | I35-N37 PolarHBondContact O-N 3.04Å; N37-N39 PolarHBondContact O-N 3.4Å; N37-N39 VanDerWaalsContact OD1-CB 3.27Å; N37-N39 WeakPolarHBondContact OD1-CB 3.36Å; N37-N39 PolarHBondContact OD1-N 3.11Å; N37-N39 VanDerWaalsContact OD1-N 3.07Å; N37-C40 PolarHBondContact O-N 2.86Å | ||
| 38 | S | 66.1 | Low | 78.2 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 67% | 0.671 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -52.9 | -17.3 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | C40 T41 | S38-C40 VanDerWaalsContact C-N 3.32Å; S38-T41 WeakPolarHBondContact O-CG2 3.45Å |
| 39 | N | 65.6 | Low | 78 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -78 | -17 | 178.3 | -59.5 | -23.2 | 0 | 0 | 0 | 112.9 | M3 N37 | M3-N39 HydrophobicContact CE-CB 4.07Å; M3-N39 HydrophobicContact SD-CB 4.41Å; N37-N39 PolarHBondContact O-N 3.4Å; N37-N39 VanDerWaalsContact OD1-CB 3.27Å; N37-N39 WeakPolarHBondContact OD1-CB 3.36Å; N37-N39 PolarHBondContact OD1-N 3.11Å; N37-N39 VanDerWaalsContact OD1-N 3.07Å |
| 40 | C | 73.3 | Confident | 78 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -100.7 | 24 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | L36 N37 S38 S42 L43 L44 | L36-C40 HydrophobicContact CD2-CB 4.25Å; N37-C40 PolarHBondContact O-N 2.86Å; S38-C40 VanDerWaalsContact C-N 3.32Å; C40-S42 VanDerWaalsContact C-N 3.32Å; C40-S42 PolarHBondContact O-N 2.95Å; C40-L43 PolarHBondContact O-N 3.16Å; C40-L44 WeakPolarHBondContact O-CG 3.15Å; C40-L44 PolarHBondContact O-N 3.04Å |
| 41 | T | 76 | Confident | 77.8 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.8 | -42.4 | -177.6 | 45.4 | 0 | 0 | 0 | 0 | 113 | S38 L43 L44 T45 | S38-T41 WeakPolarHBondContact O-CG2 3.45Å; T41-L43 PolarHBondContact O-N 3.02Å; T41-L44 PolarHBondContact O-N 3.47Å; T41-T45 WeakPolarHBondContact O-CB 2.98Å; T41-T45 PolarHBondContact O-N 2.78Å; T41-T45 PolarHBondContact O-OG1 3.28Å |
| 42 | S | 77.7 | Confident | 77.8 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | -179 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | C40 K46 | C40-S42 VanDerWaalsContact C-N 3.32Å; C40-S42 PolarHBondContact O-N 2.95Å; S42-K46 WeakPolarHBondContact O-CG 3.17Å; S42-K46 PolarHBondContact O-N 3.01Å |
| 43 | L | 80.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.3 | -49.4 | 174.4 | -179.8 | 67.2 | 0 | 0 | 0 | 110 | L6 V9 I13 L29 C40 T41 T45 K46 V47 | L6-L43 HydrophobicContact CB-CD2 4.27Å; L6-L43 HydrophobicContact CD2-CD2 3.63Å; L6-L43 HydrophobicContact CG-CD2 4.46Å; V9-L43 HydrophobicContact CG1-CD1 4Å; I13-L43 HydrophobicContact CD1-CD1 3.79Å; L29-L43 HydrophobicContact CD2-CD2 4.12Å; C40-L43 PolarHBondContact O-N 3.16Å; T41-L43 PolarHBondContact O-N 3.02Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 3.43Å; L43-K46 PolarHBondContact O-N 3.45Å; L43-V47 HydrophobicContact CD1-CG2 4.06Å; L43-V47 HydrophobicContact CG-CG2 4.18Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 2.93Å |
| 44 | L | 82.4 | Confident | 77.5 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 178.4 | -73.4 | 175.2 | 0 | 0 | 0 | 111.7 | L36 C40 T41 K46 K48 F66 L70 | L36-L44 HydrophobicContact CB-CD2 4.48Å; L36-L44 HydrophobicContact CD1-CD2 4.21Å; C40-L44 WeakPolarHBondContact O-CG 3.15Å; C40-L44 PolarHBondContact O-N 3.04Å; T41-L44 PolarHBondContact O-N 3.47Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 3.11Å; L44-K48 WeakPolarHBondContact O-CB 3.42Å; L44-K48 WeakPolarHBondContact O-CD 3.22Å; L44-K48 WeakPolarHBondContact O-CG 3.31Å; L44-K48 PolarHBondContact O-N 3.02Å; L44-F66 HydrophobicContact CD2-CZ 4.09Å; L44-L70 HydrophobicContact CD2-CD1 4.17Å; L44-L70 HydrophobicContact CD2-CD2 3.92Å |
| 45 | T | 82 | Confident | 77.6 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 176 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | T41 L43 G49 | T41-T45 WeakPolarHBondContact O-CB 2.98Å; T41-T45 PolarHBondContact O-N 2.78Å; T41-T45 PolarHBondContact O-OG1 3.28Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 3.43Å; T45-G49 PolarHBondContact O-N 3.15Å |
| 46 | K | 80.7 | Confident | 77.8 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.3 | -44.7 | 178 | -73.5 | -176.6 | -173.4 | 168.3 | 0 | 112.5 | S10 I13 S42 L43 L44 G49 L50 | S10-K46 VanDerWaalsContact O-CD 3.26Å; S10-K46 WeakPolarHBondContact O-CD 3.45Å; S10-K46 PolarHBondContact O-NZ 3.1Å; S10-K46 WeakPolarHBondContact OG-CD 3.45Å; S10-K46 WeakPolarHBondContact OG-CE 3.17Å; S10-K46 PolarHBondContact OG-NZ 2.99Å; I13-K46 HydrophobicContact CD1-CB 4.27Å; S42-K46 WeakPolarHBondContact O-CG 3.17Å; S42-K46 PolarHBondContact O-N 3.01Å; L43-K46 PolarHBondContact O-N 3.45Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 3.11Å; K46-G49 CarbonylContact O-C 3.57Å; K46-G49 WeakPolarHBondContact O-CA 3.47Å; K46-G49 PolarHBondContact O-N 3.48Å; K46-G49 VanDerWaalsContact O-N 3.11Å; K46-L50 PolarHBondContact O-N 3.12Å |
| 47 | V | 83 | Confident | 78.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -43 | 178 | 178.9 | 0 | 0 | 0 | 0 | 110 | I13 L26 L29 L43 G49 L50 H63 F66 | I13-V47 HydrophobicContact CD1-CG2 3.87Å; L26-V47 HydrophobicContact CD2-CG1 4.05Å; L29-V47 HydrophobicContact CD1-CG1 4.33Å; L29-V47 HydrophobicContact CD1-CG2 3.89Å; L43-V47 HydrophobicContact CD1-CG2 4.06Å; L43-V47 HydrophobicContact CG-CG2 4.18Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 2.93Å; V47-G49 PolarHBondContact O-N 3.12Å; V47-L50 WeakPolarHBondContact O-CB 3.43Å; V47-L50 PolarHBondContact O-N 3.45Å; V47-H63 PolarHBondContact O-NE2 3.39Å; V47-F66 HydrophobicContact CB-CE1 4.34Å; V47-F66 HydrophobicContact CG1-CD1 3.78Å; V47-F66 HydrophobicContact CG1-CE1 3.43Å; V47-F66 VanDerWaalsContact CG1-CE1 3.43Å; V47-F66 HydrophobicContact CG1-CZ 4.26Å |
| 48 | K | 84.2 | Confident | 79.4 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 11% | 0.109 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -33.5 | 172.3 | -75.6 | 173.2 | -175.6 | -179.4 | 0 | 112.5 | L44 L50 L67 H77 S80 V84 | L44-K48 WeakPolarHBondContact O-CB 3.42Å; L44-K48 WeakPolarHBondContact O-CD 3.22Å; L44-K48 WeakPolarHBondContact O-CG 3.31Å; L44-K48 PolarHBondContact O-N 3.02Å; K48-L50 VanDerWaalsContact C-N 3.29Å; K48-L50 PolarHBondContact O-N 3.37Å; K48-L67 HydrophobicContact CG-CD2 3.88Å; K48-H77 PolarHBondContact NZ-ND1 2.93Å; K48-S80 PolarHBondContact NZ-OG 3.27Å; K48-V84 HydrophobicContact CB-CG2 3.75Å; K48-V84 HydrophobicContact CG-CG2 4.28Å; K48-V84 WeakPolarHBondContact O-CG1 3.45Å; K48-V84 WeakPolarHBondContact O-CG2 3.37Å |
| 49 | G | 82.3 | Confident | 80.4 | Confident | 55 Ų | 55 | 49 Ų | 49 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 17.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T45 K46 V47 D51 | T45-G49 PolarHBondContact O-N 3.15Å; K46-G49 CarbonylContact O-C 3.57Å; K46-G49 WeakPolarHBondContact O-CA 3.47Å; K46-G49 PolarHBondContact O-N 3.48Å; K46-G49 VanDerWaalsContact O-N 3.11Å; V47-G49 PolarHBondContact O-N 3.12Å; G49-D51 PolarHBondContact O-N 3.06Å |
| 50 | L | 83.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | trans | -58.8 | 130.3 | 179.6 | -164.6 | 70.2 | 0 | 0 | 0 | 111 | M22 K46 V47 K48 W52 F55 V59 H63 K88 | M22-L50 HydrophobicContact CE-CD1 3.52Å; M22-L50 HydrophobicContact CE-CD2 3.85Å; M22-L50 HydrophobicContact CE-CG 4.31Å; M22-L50 HydrophobicContact SD-CD1 4.31Å; K46-L50 PolarHBondContact O-N 3.12Å; V47-L50 WeakPolarHBondContact O-CB 3.43Å; V47-L50 PolarHBondContact O-N 3.45Å; K48-L50 VanDerWaalsContact C-N 3.29Å; K48-L50 PolarHBondContact O-N 3.37Å; L50-W52 PolarHBondContact O-N 2.86Å; L50-F55 HydrophobicContact CD1-CD2 4.19Å; L50-F55 HydrophobicContact CD1-CE2 3.39Å; L50-F55 HydrophobicContact CD1-CZ 3.9Å; L50-F55 HydrophobicContact CD2-CD2 4.22Å; L50-F55 HydrophobicContact CD2-CE2 4.25Å; L50-F55 HydrophobicContact CG-CD2 4.03Å; L50-F55 HydrophobicContact CG-CE2 3.71Å; L50-V59 HydrophobicContact CD2-CG1 4.15Å; L50-H63 HydrophobicContact CD2-CB 4.14Å; L50-K88 WeakPolarHBondContact O-CE 3.48Å; L50-K88 PolarHBondContact O-NZ 3.22Å | ||
| 51 | D | 82 | Confident | 82.3 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | trans | -88.3 | 106 | 176.9 | -169.6 | 0.4 | 0 | 0 | 0 | 110.8 | G49 R53 L54 F55 | G49-D51 PolarHBondContact O-N 3.06Å; D51-R53 PolarHBondContact O-N 3.23Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.28Å; D51-R53 WeakPolarHBondContact OD1-CD 3.45Å; D51-R53 VanDerWaalsContact OD1-CG 3.3Å; D51-R53 WeakPolarHBondContact OD1-CG 3.46Å; D51-R53 PolarHBondContact OD1-N 3.05Å; D51-R53 VanDerWaalsContact OD1-N 3.07Å; D51-L54 HydrophobicContact CB-CD1 4.34Å; D51-L54 HydrophobicContact CB-CG 4.45Å; D51-L54 PolarHBondContact O-N 3.43Å; D51-F55 WeakPolarHBondContact O-CD2 3.33Å | ||
| 52 | W | 83.2 | Confident | 82.9 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -64.3 | -9.3 | 178.9 | -65.4 | -2.1 | 0 | 0 | 0 | 113.9 | L50 L54 A60 H63 V64 F85 K88 I114 R117 A118 A121 | L50-W52 PolarHBondContact O-N 2.86Å; W52-L54 VanDerWaalsContact C-N 3.26Å; W52-L54 PolarHBondContact O-N 3.45Å; W52-A60 HydrophobicContact CD2-CB 4.17Å; W52-A60 HydrophobicContact CG-CB 4.27Å; W52-H63 AromaticContact CE2-ND1 3.75Å; W52-H63 AromaticContact CZ2-ND1 3.87Å; W52-H63 AromaticContact NE1-CE1 3.76Å; W52-H63 AromaticContact NE1-CG 3.93Å; W52-H63 AromaticContact NE1-ND1 3.03Å; W52-H63 PolarHBondContact NE1-ND1 3.04Å; W52-V64 HydrophobicContact CH2-CG2 3.94Å; W52-V64 HydrophobicContact CZ2-CG2 3.79Å; W52-F85 HydrophobicContact CH2-CD1 4.44Å; W52-F85 HydrophobicContact CZ2-CE1 4.49Å; W52-K88 HydrophobicContact CD2-CD 4.49Å; W52-K88 HydrophobicContact CD2-CG 4.42Å; W52-K88 HydrophobicContact CE3-CG 4.21Å; W52-K88 HydrophobicContact CZ3-CG 4.26Å; W52-I114 HydrophobicContact CB-CG1 4.24Å; W52-I114 HydrophobicContact CE3-CG2 4.15Å; W52-R117 HydrophobicContact CE3-CB 4.14Å; W52-R117 HydrophobicContact CE3-CG 3.86Å; W52-R117 HydrophobicContact CH2-CG 3.79Å; W52-R117 HydrophobicContact CZ3-CB 3.77Å; W52-R117 HydrophobicContact CZ3-CG 3.43Å; W52-R117 VanDerWaalsContact CZ3-CG 3.43Å; W52-A118 HydrophobicContact CZ3-CB 3.95Å; W52-A121 HydrophobicContact CH2-CB 4.36Å |
| 53 | R | 77.8 | Confident | 83.5 | Confident | 65 Ų | 65 | 40.1 Ų | 40.1 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68.9 | -26.5 | 173.9 | -67.5 | 168.8 | 171.4 | -164.3 | -8.1 | 113.4 | D51 D92 I114 | D51-R53 PolarHBondContact O-N 3.23Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.28Å; D51-R53 WeakPolarHBondContact OD1-CD 3.45Å; D51-R53 VanDerWaalsContact OD1-CG 3.3Å; D51-R53 WeakPolarHBondContact OD1-CG 3.46Å; D51-R53 PolarHBondContact OD1-N 3.05Å; D51-R53 VanDerWaalsContact OD1-N 3.07Å; R53-D92 VanDerWaalsContact CZ-O 3.23Å; R53-D92 VanDerWaalsContact NH1-C 3.34Å; R53-D92 PolarHBondContact NH1-O 3.41Å; R53-D92 PolarHBondContact NH2-O 3.5Å; R53-I114 HydrophobicContact CB-CD1 4.37Å; R53-I114 HydrophobicContact CG-CD1 3.38Å |
| 54 | L | 77.6 | Confident | 84 | Confident | 128 Ų | 128 | 40 Ų | 40 | 67% | 0.67 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -92.5 | -7.4 | -172.7 | -60.5 | 177.5 | 0 | 0 | 0 | 113.2 | D51 W52 | D51-L54 HydrophobicContact CB-CD1 4.34Å; D51-L54 HydrophobicContact CB-CG 4.45Å; D51-L54 PolarHBondContact O-N 3.43Å; W52-L54 VanDerWaalsContact C-N 3.26Å; W52-L54 PolarHBondContact O-N 3.45Å |
| 55 | F | 77.2 | Confident | 84.4 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 13% | 0.132 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -130.6 | 158 | -169.4 | -55.8 | -74.4 | 0 | 0 | 0 | 113 | M22 L50 D51 V59 | M22-F55 HydrophobicContact CB-CE1 4.47Å; M22-F55 HydrophobicContact CG-CE1 4.38Å; L50-F55 HydrophobicContact CD1-CD2 4.19Å; L50-F55 HydrophobicContact CD1-CE2 3.39Å; L50-F55 HydrophobicContact CD1-CZ 3.9Å; L50-F55 HydrophobicContact CD2-CD2 4.22Å; L50-F55 HydrophobicContact CD2-CE2 4.25Å; L50-F55 HydrophobicContact CG-CD2 4.03Å; L50-F55 HydrophobicContact CG-CE2 3.71Å; D51-F55 WeakPolarHBondContact O-CD2 3.33Å; F55-V59 HydrophobicContact CB-CB 3.73Å; F55-V59 HydrophobicContact CB-CG1 3.82Å; F55-V59 HydrophobicContact CB-CG2 4.09Å; F55-V59 HydrophobicContact CD1-CG1 4.13Å; F55-V59 HydrophobicContact CD1-CG2 4.44Å; F55-V59 HydrophobicContact CD2-CG1 4.38Å; F55-V59 HydrophobicContact CG-CB 4.3Å; F55-V59 HydrophobicContact CG-CG1 3.86Å |
| 56 | S | 82 | Confident | 84.8 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | trans | -64.4 | 165.9 | 171.1 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | E19 E58 V59 A60 | E19-S56 VanDerWaalsContact CD-OG 3.32Å; E19-S56 WeakPolarHBondContact OE1-CB 3.42Å; E19-S56 PolarHBondContact OE1-N 2.63Å; E19-S56 WeakPolarHBondContact OE2-CB 3.26Å; E19-S56 PolarHBondContact OE2-OG 2.8Å; S56-E58 PolarHBondContact O-N 2.94Å; S56-V59 PolarHBondContact O-N 3.37Å; S56-A60 PolarHBondContact O-N 3.49Å | ||
| 57 | D | 84.1 | Confident | 85.3 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.4 | -23.3 | 178.6 | -172.6 | 56.7 | 0 | 0 | 0 | 112.4 | K61 R117 | D57-K61 VanDerWaalsContact O-CG 3.29Å; D57-K61 WeakPolarHBondContact O-CG 3.44Å; D57-K61 PolarHBondContact O-N 2.85Å; D57-K61 WeakPolarHBondContact OD2-CE 3.44Å; D57-K61 IonicContact OD2-NZ 3.75Å; D57-K61 PolarHBondContact OD2-NZ 2.9Å; D57-R117 IonicContact OD1-CZ 2.75Å; D57-R117 IonicContact OD1-NE 2.8Å; D57-R117 PolarHBondContact OD1-NE 2.99Å; D57-R117 IonicContact OD1-NH2 2.69Å; D57-R117 PolarHBondContact OD1-NH2 3.1Å; D57-R117 IonicContact OD2-CZ 3.17Å; D57-R117 IonicContact OD2-NH2 2.74Å; D57-R117 PolarHBondContact OD2-NH2 2.94Å |
| 58 | E | 86.4 | Confident | 85.6 | Confident | 125 Ų | 125 | 38.8 Ų | 38.8 | 58% | 0.584 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -70.9 | -45.8 | 177.9 | -62.4 | -174.4 | 177.8 | 0 | 0 | 111.6 | S56 A60 K61 A62 | S56-E58 PolarHBondContact O-N 2.94Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.36Å; E58-K61 WeakPolarHBondContact O-CB 3.5Å; E58-K61 PolarHBondContact O-N 2.88Å; E58-A62 PolarHBondContact O-N 3.29Å |
| 59 | V | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.7 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | E19 M22 L23 L26 L50 F55 S56 K61 A62 H63 | E19-V59 HydrophobicContact CB-CG2 4.13Å; M22-V59 HydrophobicContact CB-CG1 4.31Å; M22-V59 HydrophobicContact CG-CG1 3.75Å; L23-V59 HydrophobicContact CD2-CB 4.43Å; L23-V59 HydrophobicContact CD2-CG2 4.05Å; L23-V59 HydrophobicContact CG-CG2 4.01Å; L26-V59 HydrophobicContact CD1-CG1 3.97Å; L50-V59 HydrophobicContact CD2-CG1 4.15Å; F55-V59 HydrophobicContact CB-CB 3.73Å; F55-V59 HydrophobicContact CB-CG1 3.82Å; F55-V59 HydrophobicContact CB-CG2 4.09Å; F55-V59 HydrophobicContact CD1-CG1 4.13Å; F55-V59 HydrophobicContact CD1-CG2 4.44Å; F55-V59 HydrophobicContact CD2-CG1 4.38Å; F55-V59 HydrophobicContact CG-CB 4.3Å; F55-V59 HydrophobicContact CG-CG1 3.86Å; S56-V59 PolarHBondContact O-N 3.37Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 3.14Å; V59-A62 PolarHBondContact O-N 3.39Å; V59-H63 VanDerWaalsContact O-CB 3.32Å; V59-H63 WeakPolarHBondContact O-CB 3.35Å; V59-H63 PolarHBondContact O-N 2.73Å |
| 60 | A | 87.7 | Confident | 86.1 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W52 S56 E58 H63 V64 R117 | W52-A60 HydrophobicContact CD2-CB 4.17Å; W52-A60 HydrophobicContact CG-CB 4.27Å; S56-A60 PolarHBondContact O-N 3.49Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.36Å; A60-H63 PolarHBondContact O-N 3.23Å; A60-V64 WeakPolarHBondContact O-CG2 3.43Å; A60-V64 PolarHBondContact O-N 3.17Å; A60-R117 HydrophobicContact CB-CG 3.87Å |
| 61 | K | 90.1 | Very high | 86.2 | Confident | 73 Ų | 73 | 35.9 Ų | 35.9 | 32% | 0.317 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 172.1 | -76.2 | 168.4 | -170.6 | 159.4 | 0 | 112.1 | D57 E58 V59 H63 V64 R65 R117 | D57-K61 VanDerWaalsContact O-CG 3.29Å; D57-K61 WeakPolarHBondContact O-CG 3.44Å; D57-K61 PolarHBondContact O-N 2.85Å; D57-K61 WeakPolarHBondContact OD2-CE 3.44Å; D57-K61 IonicContact OD2-NZ 3.75Å; D57-K61 PolarHBondContact OD2-NZ 2.9Å; E58-K61 WeakPolarHBondContact O-CB 3.5Å; E58-K61 PolarHBondContact O-N 2.88Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 3.14Å; K61-H63 PolarHBondContact O-N 3.3Å; K61-V64 PolarHBondContact O-N 3.05Å; K61-R65 WeakPolarHBondContact O-CG 3.43Å; K61-R65 PolarHBondContact O-N 3.45Å; K61-R117 VanDerWaalsContact CE-CZ 3.45Å; K61-R117 VanDerWaalsContact CG-CZ 3.5Å |
| 62 | A | 89.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L23 L26 E58 V59 R65 F66 | L23-A62 HydrophobicContact CD2-CB 3.75Å; L26-A62 HydrophobicContact CB-CB 4.12Å; L26-A62 HydrophobicContact CD1-CB 3.94Å; E58-A62 PolarHBondContact O-N 3.29Å; V59-A62 PolarHBondContact O-N 3.39Å; A62-R65 PolarHBondContact O-N 3.37Å; A62-F66 WeakPolarHBondContact O-CB 3.29Å; A62-F66 PolarHBondContact O-N 3.44Å |
| 63 | H | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 176 | -177.9 | -118.7 | 0 | 0 | 0 | 112.5 | L26 V47 L50 W52 V59 A60 K61 F66 L67 | L26-H63 HydrophobicContact CD1-CB 4.06Å; V47-H63 PolarHBondContact O-NE2 3.39Å; L50-H63 HydrophobicContact CD2-CB 4.14Å; W52-H63 AromaticContact CE2-ND1 3.75Å; W52-H63 AromaticContact CZ2-ND1 3.87Å; W52-H63 AromaticContact NE1-CE1 3.76Å; W52-H63 AromaticContact NE1-CG 3.93Å; W52-H63 AromaticContact NE1-ND1 3.03Å; W52-H63 PolarHBondContact NE1-ND1 3.04Å; V59-H63 VanDerWaalsContact O-CB 3.32Å; V59-H63 WeakPolarHBondContact O-CB 3.35Å; V59-H63 PolarHBondContact O-N 2.73Å; A60-H63 PolarHBondContact O-N 3.23Å; K61-H63 PolarHBondContact O-N 3.3Å; H63-F66 PolarHBondContact O-N 3.4Å; H63-L67 VanDerWaalsContact CE1-CD1 3.49Å; H63-L67 WeakPolarHBondContact CE1-CD1 3.39Å; H63-L67 VanDerWaalsContact O-CG 3.28Å; H63-L67 WeakPolarHBondContact O-CG 3.32Å; H63-L67 PolarHBondContact O-N 2.84Å |
| 64 | V | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | W52 A60 K61 F66 L67 L68 F85 A121 E124 | W52-V64 HydrophobicContact CH2-CG2 3.94Å; W52-V64 HydrophobicContact CZ2-CG2 3.79Å; A60-V64 WeakPolarHBondContact O-CG2 3.43Å; A60-V64 PolarHBondContact O-N 3.17Å; K61-V64 PolarHBondContact O-N 3.05Å; V64-F66 PolarHBondContact O-N 2.81Å; V64-L67 PolarHBondContact O-N 3.39Å; V64-L67 VanDerWaalsContact O-N 3.11Å; V64-L68 HydrophobicContact CG1-CD1 4.02Å; V64-L68 HydrophobicContact CG1-CG 4.32Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 2.96Å; V64-F85 HydrophobicContact CG1-CZ 4.33Å; V64-F85 HydrophobicContact CG2-CE1 4.18Å; V64-F85 HydrophobicContact CG2-CZ 4.5Å; V64-A121 HydrophobicContact CB-CB 4.43Å; V64-A121 HydrophobicContact CG1-CB 3.82Å; V64-A121 HydrophobicContact CG2-CB 3.62Å; V64-E124 VanDerWaalsContact CG1-OE2 3.26Å; V64-E124 WeakPolarHBondContact CG1-OE2 3.35Å |
| 65 | R | 91 | Very high | 87.2 | Confident | 136 Ų | 136 | 38.2 Ų | 38.2 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 176.3 | -70.4 | -179.8 | -169.8 | 143.6 | 0.7 | 112.1 | K61 A62 L67 L68 A69 | K61-R65 WeakPolarHBondContact O-CG 3.43Å; K61-R65 PolarHBondContact O-N 3.45Å; A62-R65 PolarHBondContact O-N 3.37Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.03Å; R65-L68 PolarHBondContact O-N 3.15Å; R65-A69 WeakPolarHBondContact O-CB 3.24Å; R65-A69 PolarHBondContact O-N 3.21Å |
| 66 | F | 90.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -45.6 | 173.9 | 165.9 | -103.7 | 0 | 0 | 0 | 112 | L26 L29 V33 L36 L44 V47 A62 H63 V64 L68 A69 L70 | L26-F66 HydrophobicContact CD2-CB 4.37Å; L26-F66 HydrophobicContact CD2-CD1 4.42Å; L26-F66 HydrophobicContact CD2-CG 4.44Å; L29-F66 HydrophobicContact CB-CD2 3.71Å; L29-F66 HydrophobicContact CB-CE2 3.56Å; L29-F66 HydrophobicContact CB-CZ 4.35Å; L29-F66 HydrophobicContact CD1-CE2 4.46Å; L29-F66 HydrophobicContact CD1-CZ 4.47Å; V33-F66 HydrophobicContact CG2-CD2 4.42Å; V33-F66 HydrophobicContact CG2-CE2 4.27Å; L36-F66 HydrophobicContact CD1-CE2 3.63Å; L36-F66 HydrophobicContact CD1-CZ 3.89Å; L44-F66 HydrophobicContact CD2-CZ 4.09Å; V47-F66 HydrophobicContact CB-CE1 4.34Å; V47-F66 HydrophobicContact CG1-CD1 3.78Å; V47-F66 HydrophobicContact CG1-CE1 3.43Å; V47-F66 VanDerWaalsContact CG1-CE1 3.43Å; V47-F66 HydrophobicContact CG1-CZ 4.26Å; A62-F66 WeakPolarHBondContact O-CB 3.29Å; A62-F66 PolarHBondContact O-N 3.44Å; H63-F66 PolarHBondContact O-N 3.4Å; V64-F66 PolarHBondContact O-N 2.81Å; F66-L68 PolarHBondContact O-N 2.77Å; F66-A69 PolarHBondContact O-N 2.9Å; F66-L70 HydrophobicContact CZ-CD2 4.46Å; F66-L70 WeakPolarHBondContact O-CB 3.35Å; F66-L70 PolarHBondContact O-N 3.38Å |
| 67 | L | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 179.2 | -69.9 | 173.9 | 0 | 0 | 0 | 112.3 | K48 H63 V64 R65 L70 L71 V81 V84 F85 | K48-L67 HydrophobicContact CG-CD2 3.88Å; H63-L67 VanDerWaalsContact CE1-CD1 3.49Å; H63-L67 WeakPolarHBondContact CE1-CD1 3.39Å; H63-L67 VanDerWaalsContact O-CG 3.28Å; H63-L67 WeakPolarHBondContact O-CG 3.32Å; H63-L67 PolarHBondContact O-N 2.84Å; V64-L67 PolarHBondContact O-N 3.39Å; V64-L67 VanDerWaalsContact O-N 3.11Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.03Å; L67-L70 WeakPolarHBondContact O-CB 3.34Å; L67-L70 PolarHBondContact O-N 3.11Å; L67-L71 WeakPolarHBondContact O-CG 3.41Å; L67-L71 PolarHBondContact O-N 3.44Å; L67-V81 HydrophobicContact CB-CG1 3.98Å; L67-V81 HydrophobicContact CB-CG2 4.47Å; L67-V81 HydrophobicContact CD1-CG1 4.46Å; L67-V81 HydrophobicContact CD2-CG2 4.18Å; L67-V84 HydrophobicContact CD1-CG1 4.18Å; L67-F85 HydrophobicContact CB-CZ 4.27Å; L67-F85 HydrophobicContact CD1-CE1 3.53Å; L67-F85 HydrophobicContact CD1-CZ 3.86Å |
| 68 | L | 89.5 | Confident | 87.9 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69 | -41.2 | 175.5 | -66.1 | 175.9 | 0 | 0 | 0 | 111.7 | V64 R65 F66 L70 L71 A72 E124 L125 | V64-L68 HydrophobicContact CG1-CD1 4.02Å; V64-L68 HydrophobicContact CG1-CG 4.32Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 2.96Å; R65-L68 PolarHBondContact O-N 3.15Å; F66-L68 PolarHBondContact O-N 2.77Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 2.99Å; L68-L71 HydrophobicContact CD2-CD1 4.44Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 3.45Å; L68-L71 VanDerWaalsContact O-N 3.12Å; L68-A72 PolarHBondContact O-N 3.37Å; L68-E124 HydrophobicContact CD1-CB 3.79Å; L68-L125 HydrophobicContact CD2-CB 4.2Å; L68-L125 HydrophobicContact CD2-CD1 3.96Å |
| 69 | A | 88.5 | Confident | 88 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E30 V33 R65 F66 L71 A72 S73 | E30-A69 HydrophobicContact CG-CB 3.91Å; V33-A69 HydrophobicContact CG2-CB 4.01Å; R65-A69 WeakPolarHBondContact O-CB 3.24Å; R65-A69 PolarHBondContact O-N 3.21Å; F66-A69 PolarHBondContact O-N 2.9Å; A69-L71 VanDerWaalsContact C-N 3.29Å; A69-L71 PolarHBondContact O-N 2.93Å; A69-A72 WeakPolarHBondContact O-CB 3.49Å; A69-A72 PolarHBondContact O-N 2.99Å; A69-A72 VanDerWaalsContact O-N 3.1Å; A69-S73 PolarHBondContact O-N 2.8Å; A69-S73 VanDerWaalsContact O-N 3.12Å |
| 70 | L | 87.7 | Confident | 88 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 173.1 | -176.2 | 66.9 | 0 | 0 | 0 | 111.9 | V33 L36 L44 F66 L67 L68 S73 N74 H77 | V33-L70 HydrophobicContact CG1-CD1 4.21Å; L36-L70 HydrophobicContact CB-CD1 4.43Å; L36-L70 HydrophobicContact CD1-CD1 4.48Å; L44-L70 HydrophobicContact CD2-CD1 4.17Å; L44-L70 HydrophobicContact CD2-CD2 3.92Å; F66-L70 HydrophobicContact CZ-CD2 4.46Å; F66-L70 WeakPolarHBondContact O-CB 3.35Å; F66-L70 PolarHBondContact O-N 3.38Å; L67-L70 WeakPolarHBondContact O-CB 3.34Å; L67-L70 PolarHBondContact O-N 3.11Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 2.99Å; L70-S73 PolarHBondContact O-N 3.33Å; L70-S73 PolarHBondContact O-OG 3.19Å; L70-N74 PolarHBondContact O-N 3.18Å; L70-N74 VanDerWaalsContact O-N 3.15Å; L70-H77 HydrophobicContact CD2-CB 4.27Å; L70-H77 HydrophobicContact CG-CB 4.32Å |
| 71 | L | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -35.6 | 174.8 | -67.9 | 178.9 | 0 | 0 | 0 | 113.2 | L67 L68 A69 S73 N74 H77 L78 V81 L125 F128 | L67-L71 WeakPolarHBondContact O-CG 3.41Å; L67-L71 PolarHBondContact O-N 3.44Å; L68-L71 HydrophobicContact CD2-CD1 4.44Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 3.45Å; L68-L71 VanDerWaalsContact O-N 3.12Å; A69-L71 VanDerWaalsContact C-N 3.29Å; A69-L71 PolarHBondContact O-N 2.93Å; L71-S73 VanDerWaalsContact C-N 3.29Å; L71-S73 PolarHBondContact O-N 3.49Å; L71-N74 CarbonylContact O-C 3.53Å; L71-N74 PolarHBondContact O-N 3.08Å; L71-H77 HydrophobicContact CD2-CB 4.09Å; L71-L78 HydrophobicContact CD1-CD1 4.12Å; L71-L78 HydrophobicContact CD2-CB 4.1Å; L71-L78 HydrophobicContact CD2-CD1 4.22Å; L71-V81 HydrophobicContact CD1-CB 3.97Å; L71-V81 HydrophobicContact CD1-CG1 3.76Å; L71-V81 HydrophobicContact CD1-CG2 4.26Å; L71-V81 HydrophobicContact CD2-CB 4Å; L71-V81 HydrophobicContact CD2-CG2 3.69Å; L71-V81 HydrophobicContact CG-CB 4.17Å; L71-V81 HydrophobicContact CG-CG1 4.3Å; L71-V81 HydrophobicContact CG-CG2 3.91Å; L71-L125 HydrophobicContact CD1-CD1 3.25Å; L71-F128 HydrophobicContact CB-CE1 4.31Å |
| 72 | A | 86.7 | Confident | 88.2 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.1 | -34.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L68 A69 F128 | L68-A72 PolarHBondContact O-N 3.37Å; A69-A72 WeakPolarHBondContact O-CB 3.49Å; A69-A72 PolarHBondContact O-N 2.99Å; A69-A72 VanDerWaalsContact O-N 3.1Å; A72-F128 HydrophobicContact CB-CE2 3.87Å; A72-F128 HydrophobicContact CB-CZ 3.72Å |
| 73 | S | 85.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 38 Ų | 38 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.8 | -41 | 174.7 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | V33 A69 L70 L71 | V33-S73 WeakPolarHBondContact CG1-OG 3.28Å; A69-S73 PolarHBondContact O-N 2.8Å; A69-S73 VanDerWaalsContact O-N 3.12Å; L70-S73 PolarHBondContact O-N 3.33Å; L70-S73 PolarHBondContact O-OG 3.19Å; L71-S73 VanDerWaalsContact C-N 3.29Å; L71-S73 PolarHBondContact O-N 3.49Å |
| 74 | N | 84.2 | Confident | 88.4 | Confident | 72 Ų | 72 | 38.9 Ų | 38.9 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | trans | -150.4 | 103.9 | -172.9 | -170.9 | -3.9 | 0 | 0 | 0 | 112.2 | L70 L71 A76 H77 | L70-N74 PolarHBondContact O-N 3.18Å; L70-N74 VanDerWaalsContact O-N 3.15Å; L71-N74 CarbonylContact O-C 3.53Å; L71-N74 PolarHBondContact O-N 3.08Å; N74-A76 PolarHBondContact O-N 3.03Å; N74-A76 WeakPolarHBondContact OD1-CB 3.33Å; N74-A76 PolarHBondContact OD1-N 3.15Å; N74-H77 PolarHBondContact O-N 3.36Å; N74-H77 VanDerWaalsContact O-N 3.11Å | ||
| 75 | L | 84.9 | Confident | 88.4 | Confident | 111 Ų | 111 | 38.9 Ų | 38.9 | 58% | 0.581 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -61.4 | -12.3 | 176.1 | -65.7 | 175.3 | 0 | 0 | 0 | 113.9 | H77 L78 | L75-H77 PolarHBondContact O-N 3.32Å; L75-H77 VanDerWaalsContact O-N 3.16Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 PolarHBondContact O-N 3.21Å |
| 76 | A | 85.2 | Confident | 88.5 | Confident | 77 Ų | 77 | 32.4 Ų | 32.4 | 64% | 0.636 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -60.8 | -21.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N74 L78 | N74-A76 PolarHBondContact O-N 3.03Å; N74-A76 WeakPolarHBondContact OD1-CB 3.33Å; N74-A76 PolarHBondContact OD1-N 3.15Å; A76-L78 VanDerWaalsContact C-N 3.32Å |
| 77 | H | 84.3 | Confident | 88.5 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -84 | -4.1 | 175.9 | -64.6 | -47.3 | 0 | 0 | 0 | 113.9 | K48 L70 L71 N74 L75 D79 S80 V81 | K48-H77 PolarHBondContact NZ-ND1 2.93Å; L70-H77 HydrophobicContact CD2-CB 4.27Å; L70-H77 HydrophobicContact CG-CB 4.32Å; L71-H77 HydrophobicContact CD2-CB 4.09Å; N74-H77 PolarHBondContact O-N 3.36Å; N74-H77 VanDerWaalsContact O-N 3.11Å; L75-H77 PolarHBondContact O-N 3.32Å; L75-H77 VanDerWaalsContact O-N 3.16Å; H77-D79 PolarHBondContact O-N 3.4Å; H77-S80 PolarHBondContact O-N 3.42Å; H77-S80 PolarHBondContact O-OG 3.43Å; H77-V81 HydrophobicContact CB-CG2 4.43Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 2.86Å |
| 78 | L | 87.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.2 | -55 | -173 | -178.8 | 58 | 0 | 0 | 0 | 113.6 | L71 L75 A76 S80 V81 I82 L125 V132 | L71-L78 HydrophobicContact CD1-CD1 4.12Å; L71-L78 HydrophobicContact CD2-CB 4.1Å; L71-L78 HydrophobicContact CD2-CD1 4.22Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 PolarHBondContact O-N 3.21Å; A76-L78 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.03Å; L78-V81 PolarHBondContact O-N 3.35Å; L78-V81 VanDerWaalsContact O-N 3.15Å; L78-I82 HydrophobicContact CD1-CD1 3.84Å; L78-I82 HydrophobicContact CD1-CG1 4.07Å; L78-I82 HydrophobicContact CG-CD1 3.83Å; L78-I82 HydrophobicContact CG-CG1 4.48Å; L78-I82 VanDerWaalsContact O-CG1 3.32Å; L78-I82 WeakPolarHBondContact O-CG1 3.2Å; L78-I82 PolarHBondContact O-N 3Å; L78-L125 HydrophobicContact CD1-CD1 4.3Å; L78-V132 HydrophobicContact CD1-CG1 4.46Å; L78-V132 HydrophobicContact CD1-CG2 3.74Å; L78-V132 HydrophobicContact CD2-CG2 4.23Å |
| 79 | D | 88.6 | Confident | 88.6 | Confident | 86 Ų | 86 | 37.5 Ų | 37.5 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -34.5 | -178.7 | -60.1 | -33.5 | 0 | 0 | 0 | 111.7 | H77 L83 R135 | H77-D79 PolarHBondContact O-N 3.4Å; D79-L83 VanDerWaalsContact O-CB 3.29Å; D79-L83 WeakPolarHBondContact O-CB 3.31Å; D79-L83 PolarHBondContact O-N 3.35Å; D79-R135 WeakPolarHBondContact OD1-CD 3.45Å; D79-R135 IonicContact OD1-CZ 3.78Å; D79-R135 IonicContact OD1-NH1 2.77Å; D79-R135 PolarHBondContact OD1-NH1 3.41Å; D79-R135 IonicContact OD2-NH1 2.81Å; D79-R135 PolarHBondContact OD2-NH1 3.16Å |
| 80 | S | 88.8 | Confident | 88.7 | Confident | 38 Ų | 38 | 37.8 Ų | 37.8 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.4 | -36.7 | 178.5 | 72.1 | 0 | 0 | 0 | 0 | 113 | K48 H77 L78 L83 V84 | K48-S80 PolarHBondContact NZ-OG 3.27Å; H77-S80 PolarHBondContact O-N 3.42Å; H77-S80 PolarHBondContact O-OG 3.43Å; L78-S80 PolarHBondContact O-N 3.03Å; S80-L83 PolarHBondContact O-N 2.82Å; S80-V84 WeakPolarHBondContact O-CG2 3.2Å; S80-V84 PolarHBondContact O-N 3.46Å; S80-V84 VanDerWaalsContact O-N 3.15Å |
| 81 | V | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.3 | -43.2 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | L67 L71 H77 L78 L83 V84 F85 | L67-V81 HydrophobicContact CB-CG1 3.98Å; L67-V81 HydrophobicContact CB-CG2 4.47Å; L67-V81 HydrophobicContact CD1-CG1 4.46Å; L67-V81 HydrophobicContact CD2-CG2 4.18Å; L71-V81 HydrophobicContact CD1-CB 3.97Å; L71-V81 HydrophobicContact CD1-CG1 3.76Å; L71-V81 HydrophobicContact CD1-CG2 4.26Å; L71-V81 HydrophobicContact CD2-CB 4Å; L71-V81 HydrophobicContact CD2-CG2 3.69Å; L71-V81 HydrophobicContact CG-CB 4.17Å; L71-V81 HydrophobicContact CG-CG1 4.3Å; L71-V81 HydrophobicContact CG-CG2 3.91Å; H77-V81 HydrophobicContact CB-CG2 4.43Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 2.86Å; L78-V81 PolarHBondContact O-N 3.35Å; L78-V81 VanDerWaalsContact O-N 3.15Å; V81-L83 VanDerWaalsContact C-N 3.25Å; V81-L83 PolarHBondContact O-N 3.07Å; V81-V84 WeakPolarHBondContact O-CB 3.46Å; V81-V84 PolarHBondContact O-N 3.2Å; V81-V84 VanDerWaalsContact O-N 3.08Å; V81-F85 HydrophobicContact CG1-CD2 4.27Å; V81-F85 HydrophobicContact CG1-CE2 3.63Å; V81-F85 HydrophobicContact CG1-CZ 3.8Å; V81-F85 PolarHBondContact O-N 3.32Å |
| 82 | I | 91.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.9 | -48.6 | 171.3 | -68.3 | 167.6 | 0 | 0 | 0 | 109.9 | L78 V84 F85 V86 L125 V132 R135 L136 A139 | L78-I82 HydrophobicContact CD1-CD1 3.84Å; L78-I82 HydrophobicContact CD1-CG1 4.07Å; L78-I82 HydrophobicContact CG-CD1 3.83Å; L78-I82 HydrophobicContact CG-CG1 4.48Å; L78-I82 VanDerWaalsContact O-CG1 3.32Å; L78-I82 WeakPolarHBondContact O-CG1 3.2Å; L78-I82 PolarHBondContact O-N 3Å; I82-V84 VanDerWaalsContact C-N 3.27Å; I82-V84 PolarHBondContact O-N 2.73Å; I82-F85 PolarHBondContact O-N 3.25Å; I82-V86 HydrophobicContact CG2-CG2 4.03Å; I82-V86 WeakPolarHBondContact O-CG2 3.13Å; I82-V86 PolarHBondContact O-N 3.34Å; I82-L125 HydrophobicContact CG1-CD2 3.82Å; I82-V132 HydrophobicContact CD1-CG1 3.84Å; I82-V132 HydrophobicContact CG1-CG1 4.1Å; I82-R135 HydrophobicContact CD1-CB 3.73Å; I82-L136 HydrophobicContact CG2-CD1 3.82Å; I82-A139 HydrophobicContact CG2-CB 3.43Å; I82-A139 VanDerWaalsContact CG2-CB 3.43Å |
| 83 | L | 91.9 | Very high | 87.4 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 29% | 0.293 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.9 | -34.3 | -179.3 | -174 | 65.2 | 0 | 0 | 0 | 112.7 | D79 S80 V81 K87 N143 | D79-L83 VanDerWaalsContact O-CB 3.29Å; D79-L83 WeakPolarHBondContact O-CB 3.31Å; D79-L83 PolarHBondContact O-N 3.35Å; S80-L83 PolarHBondContact O-N 2.82Å; V81-L83 VanDerWaalsContact C-N 3.25Å; V81-L83 PolarHBondContact O-N 3.07Å; L83-K87 HydrophobicContact CD1-CD 4.47Å; L83-K87 HydrophobicContact CD1-CG 4.34Å; L83-K87 HydrophobicContact CG-CD 4.16Å; L83-K87 HydrophobicContact CG-CG 4.44Å; L83-K87 VanDerWaalsContact O-CB 3.31Å; L83-K87 WeakPolarHBondContact O-CB 3.33Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 3.08Å; L83-N143 WeakPolarHBondContact CD1-ND2 3.48Å; L83-N143 WeakPolarHBondContact CD1-OD1 3.47Å |
| 84 | V | 91.2 | Very high | 87 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 11% | 0.109 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -50.3 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110 | K48 L67 S80 V81 I82 K87 K88 | K48-V84 HydrophobicContact CB-CG2 3.75Å; K48-V84 HydrophobicContact CG-CG2 4.28Å; K48-V84 WeakPolarHBondContact O-CG1 3.45Å; K48-V84 WeakPolarHBondContact O-CG2 3.37Å; L67-V84 HydrophobicContact CD1-CG1 4.18Å; S80-V84 WeakPolarHBondContact O-CG2 3.2Å; S80-V84 PolarHBondContact O-N 3.46Å; S80-V84 VanDerWaalsContact O-N 3.15Å; V81-V84 WeakPolarHBondContact O-CB 3.46Å; V81-V84 PolarHBondContact O-N 3.2Å; V81-V84 VanDerWaalsContact O-N 3.08Å; I82-V84 VanDerWaalsContact C-N 3.27Å; I82-V84 PolarHBondContact O-N 2.73Å; V84-K87 PolarHBondContact O-N 2.89Å; V84-K88 WeakPolarHBondContact O-CG 3.3Å; V84-K88 PolarHBondContact O-N 3.12Å |
| 85 | F | 91.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -44 | -179.1 | -58.8 | -29 | 0 | 0 | 0 | 112.4 | W52 V64 L67 V81 I82 K87 K88 A121 V122 L125 | W52-F85 HydrophobicContact CH2-CD1 4.44Å; W52-F85 HydrophobicContact CZ2-CE1 4.49Å; V64-F85 HydrophobicContact CG1-CZ 4.33Å; V64-F85 HydrophobicContact CG2-CE1 4.18Å; V64-F85 HydrophobicContact CG2-CZ 4.5Å; L67-F85 HydrophobicContact CB-CZ 4.27Å; L67-F85 HydrophobicContact CD1-CE1 3.53Å; L67-F85 HydrophobicContact CD1-CZ 3.86Å; V81-F85 HydrophobicContact CG1-CD2 4.27Å; V81-F85 HydrophobicContact CG1-CE2 3.63Å; V81-F85 HydrophobicContact CG1-CZ 3.8Å; V81-F85 PolarHBondContact O-N 3.32Å; I82-F85 PolarHBondContact O-N 3.25Å; F85-K87 VanDerWaalsContact C-N 3.3Å; F85-K87 PolarHBondContact O-N 3.27Å; F85-K88 WeakPolarHBondContact O-CB 3.48Å; F85-K88 PolarHBondContact O-N 2.77Å; F85-A121 HydrophobicContact CD1-CB 3.97Å; F85-A121 HydrophobicContact CD2-CB 4.24Å; F85-A121 HydrophobicContact CE1-CB 3.82Å; F85-A121 HydrophobicContact CE2-CB 4.09Å; F85-A121 HydrophobicContact CG-CB 4.2Å; F85-A121 HydrophobicContact CZ-CB 3.89Å; F85-V122 HydrophobicContact CB-CG2 3.94Å; F85-V122 HydrophobicContact CD2-CG2 4.45Å; F85-L125 HydrophobicContact CD2-CD2 3.96Å; F85-L125 HydrophobicContact CE2-CB 4.28Å; F85-L125 HydrophobicContact CE2-CD2 4.1Å |
| 86 | V | 92.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | I82 K88 F89 L136 A139 L140 N143 Y157 | I82-V86 HydrophobicContact CG2-CG2 4.03Å; I82-V86 WeakPolarHBondContact O-CG2 3.13Å; I82-V86 PolarHBondContact O-N 3.34Å; V86-K88 PolarHBondContact O-N 3.39Å; V86-F89 WeakPolarHBondContact O-CB 3.33Å; V86-F89 PolarHBondContact O-N 2.94Å; V86-L136 HydrophobicContact CG2-CD1 3.92Å; V86-A139 HydrophobicContact CG2-CB 4.32Å; V86-L140 HydrophobicContact CB-CD2 4.43Å; V86-L140 HydrophobicContact CG1-CD2 3.96Å; V86-L140 HydrophobicContact CG2-CD2 3.73Å; V86-L140 HydrophobicContact CG2-CG 4.19Å; V86-N143 HydrophobicContact CG1-CB 3.86Å; V86-Y157 HydrophobicContact CG1-CE2 4.4Å |
| 87 | K | 91.5 | Very high | 85.1 | Confident | 112 Ų | 112 | 47 Ų | 47 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -28.1 | 175.4 | -79 | 177.2 | 176.1 | -176.6 | 0 | 113.1 | L83 V84 F85 F89 L90 | L83-K87 HydrophobicContact CD1-CD 4.47Å; L83-K87 HydrophobicContact CD1-CG 4.34Å; L83-K87 HydrophobicContact CG-CD 4.16Å; L83-K87 HydrophobicContact CG-CG 4.44Å; L83-K87 VanDerWaalsContact O-CB 3.31Å; L83-K87 WeakPolarHBondContact O-CB 3.33Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 3.08Å; V84-K87 PolarHBondContact O-N 2.89Å; F85-K87 VanDerWaalsContact C-N 3.3Å; F85-K87 PolarHBondContact O-N 3.27Å; K87-F89 PolarHBondContact O-N 3.12Å; K87-L90 PolarHBondContact O-N 3.42Å |
| 88 | K | 90.3 | Very high | 84.6 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.1 | 174.9 | -61.8 | -53.5 | -174.7 | -173.9 | 0 | 113.4 | L50 W52 V84 F85 V86 L90 I114 Y115 A118 | L50-K88 WeakPolarHBondContact O-CE 3.48Å; L50-K88 PolarHBondContact O-NZ 3.22Å; W52-K88 HydrophobicContact CD2-CD 4.49Å; W52-K88 HydrophobicContact CD2-CG 4.42Å; W52-K88 HydrophobicContact CE3-CG 4.21Å; W52-K88 HydrophobicContact CZ3-CG 4.26Å; V84-K88 WeakPolarHBondContact O-CG 3.3Å; V84-K88 PolarHBondContact O-N 3.12Å; F85-K88 WeakPolarHBondContact O-CB 3.48Å; F85-K88 PolarHBondContact O-N 2.77Å; V86-K88 PolarHBondContact O-N 3.39Å; K88-L90 PolarHBondContact O-N 2.98Å; K88-I114 HydrophobicContact CB-CG2 4.27Å; K88-Y115 VanDerWaalsContact O-CD1 3.25Å; K88-Y115 WeakPolarHBondContact O-CD1 3.17Å; K88-Y115 VanDerWaalsContact O-CE1 3.24Å; K88-Y115 WeakPolarHBondContact O-CE1 3.32Å; K88-A118 HydrophobicContact CB-CB 3.89Å |
| 89 | F | 90.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.6 | 170 | -63.6 | -27.6 | 0 | 0 | 0 | 113.8 | V86 K87 A118 H119 V122 L140 Y157 N160 V164 | V86-F89 WeakPolarHBondContact O-CB 3.33Å; V86-F89 PolarHBondContact O-N 2.94Å; K87-F89 PolarHBondContact O-N 3.12Å; F89-A118 HydrophobicContact CD1-CB 3.95Å; F89-A118 HydrophobicContact CE1-CB 3.64Å; F89-H119 AromaticContact CE1-CE1 3.57Å; F89-H119 AromaticContact CE1-ND1 3.73Å; F89-H119 AromaticContact CE1-NE2 3.79Å; F89-H119 AromaticContact CZ-CE1 3.69Å; F89-H119 AromaticContact CZ-ND1 3.69Å; F89-V122 HydrophobicContact CE2-CG2 4.45Å; F89-V122 HydrophobicContact CZ-CG2 3.95Å; F89-L140 HydrophobicContact CD2-CD2 4.04Å; F89-L140 HydrophobicContact CE2-CD2 4.07Å; F89-Y157 HydrophobicContact CB-CD2 4.12Å; F89-Y157 HydrophobicContact CB-CE2 4.2Å; F89-N160 HydrophobicContact CB-CB 3.95Å; F89-N160 HydrophobicContact CD1-CB 4.05Å; F89-N160 HydrophobicContact CD2-CB 4.41Å; F89-N160 HydrophobicContact CG-CB 3.92Å; F89-N160 PolarHBondContact O-ND2 3.39Å; F89-V164 HydrophobicContact CE2-CG2 3.75Å; F89-V164 HydrophobicContact CZ-CG2 3.93Å |
| 90 | L | 90.2 | Very high | 83.7 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -116.4 | 140.3 | 173.2 | -68.1 | 170.7 | 0 | 0 | 0 | 110.9 | K87 K88 D92 P145 Q153 Y157 | K87-L90 PolarHBondContact O-N 3.42Å; K88-L90 PolarHBondContact O-N 2.98Å; L90-D92 PolarHBondContact O-N 3.42Å; L90-P145 HydrophobicContact CD1-CG 4.31Å; L90-P145 HydrophobicContact CD2-CG 3.45Å; L90-P145 VanDerWaalsContact CD2-CG 3.45Å; L90-Q153 HydrophobicContact CD2-CB 4.3Å; L90-Y157 HydrophobicContact CD1-CD2 4.36Å; L90-Y157 HydrophobicContact CD2-CD2 3.52Å; L90-Y157 HydrophobicContact CD2-CE2 4.43Å; L90-Y157 HydrophobicContact CD2-CG 3.99Å; L90-Y157 HydrophobicContact CG-CD2 3.74Å; L90-Y157 HydrophobicContact CG-CE2 4.26Å |
| 91 | P | 84.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -74.5 | 120.2 | 166.9 | 25.7 | -21.8 | 0 | 0 | 0 | 109.1 | V94 Y103 Q111 Y115 V152 Q153 D156 | P91-V94 HydrophobicContact CB-CG2 3.74Å; P91-V94 HydrophobicContact CG-CG2 3.74Å; P91-Y103 HydrophobicContact CB-CE1 4.02Å; P91-Y103 WeakPolarHBondContact CB-OH 3.4Å; P91-Q111 HydrophobicContact CB-CG 4.41Å; P91-Y115 WeakPolarHBondContact CD-OH 3.4Å; P91-V152 HydrophobicContact CG-CG1 3.98Å; P91-Q153 HydrophobicContact CG-CG 4.02Å; P91-Q153 PolarHBondContact O-NE2 3.26Å; P91-D156 HydrophobicContact CG-CB 4.49Å | ||
| 92 | D | 78.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 50 Ų | 50 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 152.7 | 167.4 | -68.1 | -38.4 | 0 | 0 | 0 | 111 | R53 L90 V94 | R53-D92 VanDerWaalsContact CZ-O 3.23Å; R53-D92 VanDerWaalsContact NH1-C 3.34Å; R53-D92 PolarHBondContact NH1-O 3.41Å; R53-D92 PolarHBondContact NH2-O 3.5Å; L90-D92 PolarHBondContact O-N 3.42Å; D92-V94 PolarHBondContact O-N 3.14Å |
| 93 | N | 72.5 | Confident | 82.3 | Confident | 144 Ų | 144 | 50.2 Ų | 50.2 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 37 | 172.9 | -55.2 | -31.6 | 0 | 0 | 0 | 116.5 | P95 | N93-P95 WeakPolarHBondContact O-CD 3.24Š|
| 94 | V | 77.3 | Confident | 81.8 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | trans | -75.2 | 120.6 | 172 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | P91 D92 Y103 P150 V152 Q153 | P91-V94 HydrophobicContact CB-CG2 3.74Å; P91-V94 HydrophobicContact CG-CG2 3.74Å; D92-V94 PolarHBondContact O-N 3.14Å; V94-Y103 HydrophobicContact CB-CE2 4.45Å; V94-Y103 HydrophobicContact CG1-CD2 4.16Å; V94-Y103 HydrophobicContact CG1-CE2 4.38Å; V94-Y103 HydrophobicContact CG2-CD2 4.32Å; V94-Y103 HydrophobicContact CG2-CE2 3.78Å; V94-P150 HydrophobicContact CB-CB 4.46Å; V94-P150 HydrophobicContact CB-CG 4.32Å; V94-P150 HydrophobicContact CG1-CB 3.96Å; V94-P150 HydrophobicContact CG1-CG 4.28Å; V94-V152 HydrophobicContact CG1-CB 4.06Å; V94-V152 HydrophobicContact CG1-CG2 4.01Å; V94-V152 HydrophobicContact CG2-CG1 4.42Å; V94-Q153 HydrophobicContact CG2-CG 4.08Å | ||
| 95 | P | 76 | Confident | 81.4 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | trans | -64 | 140.2 | 171.7 | -15.3 | 29.1 | 0 | 0 | 0 | 110.5 | N93 T97 T98 | N93-P95 WeakPolarHBondContact O-CD 3.24Å; P95-T97 PolarHBondContact O-N 2.92Å; P95-T97 VanDerWaalsContact O-N 3.13Å; P95-T98 WeakPolarHBondContact CB-OG1 3.31Å; P95-T98 WeakPolarHBondContact CD-OG1 3.26Å; P95-T98 WeakPolarHBondContact CG-OG1 3.43Å; P95-T98 PolarHBondContact O-N 3.34Å; P95-T98 VanDerWaalsContact O-N 3.15Å | ||
| 96 | L | 70.4 | Confident | 81 | Confident | 146 Ų | 146 | 62.1 Ų | 62.1 | 76% | 0.764 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.7 | -176.7 | -74.2 | 160.7 | 0 | 0 | 0 | 113.4 | P150 | L96-P150 HydrophobicContact CD2-CG 4.12Š|
| 97 | T | 68.9 | Low | 80.5 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 77% | 0.773 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.8 | -175.9 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | P95 T99 | P95-T97 PolarHBondContact O-N 2.92Å; P95-T97 VanDerWaalsContact O-N 3.13Å; T97-T99 PolarHBondContact O-N 3.43Å |
| 98 | T | 73.8 | Confident | 80 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | trans | -77.9 | 121.1 | -175.6 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | P95 Q102 Y103 | P95-T98 WeakPolarHBondContact CB-OG1 3.31Å; P95-T98 WeakPolarHBondContact CD-OG1 3.26Å; P95-T98 WeakPolarHBondContact CG-OG1 3.43Å; P95-T98 PolarHBondContact O-N 3.34Å; P95-T98 VanDerWaalsContact O-N 3.15Å; T98-Q102 HydrophobicContact CG2-CB 3.83Å; T98-Y103 HydrophobicContact CG2-CD2 4.3Å | ||
| 99 | T | 77.2 | Confident | 79.7 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -71.2 | 160.1 | 173.7 | 78.9 | 0 | 0 | 0 | 0 | 110 | T97 E101 Q102 Y103 | T97-T99 PolarHBondContact O-N 3.43Å; T99-E101 WeakPolarHBondContact CB-OE2 3.2Å; T99-E101 PolarHBondContact O-N 3.37Å; T99-E101 PolarHBondContact OG1-OE2 3.49Å; T99-Q102 PolarHBondContact O-N 2.83Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.42Å; T99-Q102 PolarHBondContact OG1-N 3.42Å; T99-Y103 PolarHBondContact O-N 2.94Å | ||
| 100 | V | 78.8 | Confident | 79.3 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | Q102 Y103 D104 T151 V152 Y524 | V100-Q102 PolarHBondContact O-N 2.95Å; V100-Y103 PolarHBondContact O-N 2.89Å; V100-D104 PolarHBondContact O-N 3.38Å; V100-T151 HydrophobicContact CG2-CG2 3.62Å; V100-V152 HydrophobicContact CG2-CG2 4.28Å; V100-Y524 HydrophobicContact CB-CE1 4.35Å; V100-Y524 HydrophobicContact CG1-CE1 3.62Å; V100-Y524 PolarHBondContact O-OH 3.04Å |
| 101 | E | 77.7 | Confident | 79.2 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.29 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.6 | -51.9 | 77.7 | -171.4 | 0 | 0 | 111.7 | T99 Y103 L105 V520 Y524 | T99-E101 WeakPolarHBondContact CB-OE2 3.2Å; T99-E101 PolarHBondContact O-N 3.37Å; T99-E101 PolarHBondContact OG1-OE2 3.49Å; E101-Y103 VanDerWaalsContact C-N 3.35Å; E101-L105 WeakPolarHBondContact O-CB 3.45Å; E101-L105 VanDerWaalsContact O-CG 3.24Å; E101-L105 WeakPolarHBondContact O-CG 3.29Å; E101-L105 PolarHBondContact O-N 3.41Å; E101-L105 VanDerWaalsContact O-N 3.12Å; E101-V520 HydrophobicContact CB-CG1 4.15Å; E101-V520 HydrophobicContact CG-CG1 3.88Å; E101-Y524 WeakPolarHBondContact CA-OH 3.34Å; E101-Y524 HydrophobicContact CB-CE2 4.01Å; E101-Y524 HydrophobicContact CG-CD2 3.72Å; E101-Y524 HydrophobicContact CG-CE1 4.43Å; E101-Y524 HydrophobicContact CG-CE2 3.59Å; E101-Y524 HydrophobicContact CG-CG 4.2Å |
| 102 | Q | 80.5 | Confident | 79.3 | Confident | 92 Ų | 92 | 73.2 Ų | 73.2 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 178.9 | -70.4 | 171.6 | -2.3 | 0 | 0 | 111.4 | T98 T99 V100 Q106 | T98-Q102 HydrophobicContact CG2-CB 3.83Å; T99-Q102 PolarHBondContact O-N 2.83Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.42Å; T99-Q102 PolarHBondContact OG1-N 3.42Å; V100-Q102 PolarHBondContact O-N 2.95Å; Q102-Q106 WeakPolarHBondContact O-CG 3.25Å; Q102-Q106 PolarHBondContact O-N 3.36Å |
| 103 | Y | 82.2 | Confident | 79.8 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 179.3 | -169.3 | -94.9 | 0 | 0 | 0 | 111.5 | P91 V94 T98 T99 V100 E101 L105 Q106 H107 V152 | P91-Y103 HydrophobicContact CB-CE1 4.02Å; P91-Y103 WeakPolarHBondContact CB-OH 3.4Å; V94-Y103 HydrophobicContact CB-CE2 4.45Å; V94-Y103 HydrophobicContact CG1-CD2 4.16Å; V94-Y103 HydrophobicContact CG1-CE2 4.38Å; V94-Y103 HydrophobicContact CG2-CD2 4.32Å; V94-Y103 HydrophobicContact CG2-CE2 3.78Å; T98-Y103 HydrophobicContact CG2-CD2 4.3Å; T99-Y103 PolarHBondContact O-N 2.94Å; V100-Y103 PolarHBondContact O-N 2.89Å; E101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-L105 PolarHBondContact O-N 3.48Å; Y103-Q106 PolarHBondContact O-N 3.02Å; Y103-H107 HydrophobicContact CD1-CB 4.35Å; Y103-H107 AromaticContact CD2-CD2 3.72Å; Y103-H107 HydrophobicContact CE1-CB 3.94Å; Y103-H107 HydrophobicContact CE2-CB 4.2Å; Y103-H107 AromaticContact CE2-CD2 3.48Å; Y103-H107 VanDerWaalsContact CE2-CD2 3.48Å; Y103-H107 WeakPolarHBondContact CE2-CD2 3.34Å; Y103-H107 WeakPolarHBondContact O-CB 3.43Å; Y103-H107 PolarHBondContact O-N 3.2Å; Y103-V152 HydrophobicContact CD1-CG1 3.42Å; Y103-V152 VanDerWaalsContact CD1-CG1 3.42Å; Y103-V152 HydrophobicContact CD2-CG1 4.39Å; Y103-V152 HydrophobicContact CE1-CG1 3.83Å; Y103-V152 HydrophobicContact CG-CG1 3.73Å; Y103-V152 HydrophobicContact CG-CG2 4.17Å |
| 104 | D | 83.1 | Confident | 80.6 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | -177.8 | -78.4 | 8.6 | 0 | 0 | 0 | 112.3 | V100 Q106 G108 R155 Y524 | V100-D104 PolarHBondContact O-N 3.38Å; D104-Q106 VanDerWaalsContact C-N 3.29Å; D104-Q106 PolarHBondContact O-N 3.06Å; D104-G108 VanDerWaalsContact O-CA 3.23Å; D104-G108 WeakPolarHBondContact O-CA 3.37Å; D104-G108 PolarHBondContact O-N 3.03Å; D104-R155 VanDerWaalsContact CG-NH1 3.32Å; D104-R155 IonicContact OD1-CZ 3.58Å; D104-R155 IonicContact OD1-NH1 2.7Å; D104-R155 PolarHBondContact OD1-NH1 3.5Å; D104-R155 IonicContact OD1-NH2 3.58Å; D104-R155 PolarHBondContact OD1-NH2 3.11Å; D104-R155 IonicContact OD2-CZ 3.46Å; D104-R155 IonicContact OD2-NH1 2.74Å; D104-R155 PolarHBondContact OD2-NH1 3.47Å; D104-R155 IonicContact OD2-NH2 3.49Å; D104-Y524 VanDerWaalsContact CB-OH 3.31Å; D104-Y524 WeakPolarHBondContact CB-OH 3.24Å; D104-Y524 VanDerWaalsContact CG-OH 3.26Å; D104-Y524 PolarHBondContact OD2-OH 3.43Å |
| 105 | L | 82.5 | Confident | 81.3 | Confident | 145 Ų | 145 | 69.7 Ų | 69.7 | 76% | 0.759 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.7 | -35.9 | 175 | -74.1 | 170.4 | 0 | 0 | 0 | 112.6 | E101 Y103 | E101-L105 WeakPolarHBondContact O-CB 3.45Å; E101-L105 VanDerWaalsContact O-CG 3.24Å; E101-L105 WeakPolarHBondContact O-CG 3.29Å; E101-L105 PolarHBondContact O-N 3.41Å; E101-L105 VanDerWaalsContact O-N 3.12Å; Y103-L105 PolarHBondContact O-N 3.48Å |
| 106 | Q | 82.4 | Confident | 82.1 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -89.3 | -36.1 | -176.4 | -67.8 | 179.8 | 7.5 | 0 | 0 | 113.3 | Q102 Y103 D104 | Q102-Q106 WeakPolarHBondContact O-CG 3.25Å; Q102-Q106 PolarHBondContact O-N 3.36Å; Y103-Q106 PolarHBondContact O-N 3.02Å; D104-Q106 VanDerWaalsContact C-N 3.29Å; D104-Q106 PolarHBondContact O-N 3.06Å |
| 107 | H | 82.7 | Confident | 83.1 | Confident | 79 Ų | 79 | 63 Ų | 63 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -128.5 | -6.4 | -166.6 | -59.7 | -53.5 | 0 | 0 | 0 | 114.2 | Y103 N109 T110 Q111 | Y103-H107 HydrophobicContact CD1-CB 4.35Å; Y103-H107 AromaticContact CD2-CD2 3.72Å; Y103-H107 HydrophobicContact CE1-CB 3.94Å; Y103-H107 HydrophobicContact CE2-CB 4.2Å; Y103-H107 AromaticContact CE2-CD2 3.48Å; Y103-H107 VanDerWaalsContact CE2-CD2 3.48Å; Y103-H107 WeakPolarHBondContact CE2-CD2 3.34Å; Y103-H107 WeakPolarHBondContact O-CB 3.43Å; Y103-H107 PolarHBondContact O-N 3.2Å; H107-N109 PolarHBondContact O-N 3.31Å; H107-T110 PolarHBondContact O-N 3.36Å; H107-Q111 WeakPolarHBondContact O-CB 3.46Å; H107-Q111 PolarHBondContact O-N 3.3Å |
| 108 | G | 80.3 | Confident | 84.2 | Confident | 21 Ų | 21 | 57 Ų | 57 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.9 | -48.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D104 T110 Q111 D112 | D104-G108 VanDerWaalsContact O-CA 3.23Å; D104-G108 WeakPolarHBondContact O-CA 3.37Å; D104-G108 PolarHBondContact O-N 3.03Å; G108-T110 PolarHBondContact O-N 3.23Å; G108-Q111 PolarHBondContact O-N 3.22Å; G108-D112 VanDerWaalsContact O-CB 3.3Å; G108-D112 WeakPolarHBondContact O-CB 3.24Å; G108-D112 PolarHBondContact O-N 3.48Å |
| 109 | N | 83.1 | Confident | 85.2 | Confident | 145 Ų | 145 | 56 Ų | 56 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | -179.4 | -70.7 | -18.6 | 0 | 0 | 0 | 112.9 | H107 R113 | H107-N109 PolarHBondContact O-N 3.31Å; N109-R113 WeakPolarHBondContact O-CG 3.25Å; N109-R113 PolarHBondContact O-N 3.19Å |
| 110 | T | 83.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 179 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | H107 G108 R113 I114 | H107-T110 PolarHBondContact O-N 3.36Å; G108-T110 PolarHBondContact O-N 3.23Å; T110-R113 PolarHBondContact O-N 3.06Å; T110-I114 HydrophobicContact CG2-CD1 4.29Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 2.84Å |
| 111 | Q | 87.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.2 | -37.8 | -177.4 | -164.2 | 62.9 | 50.1 | 0 | 0 | 111.7 | P91 H107 G108 R113 I114 Y115 | P91-Q111 HydrophobicContact CB-CG 4.41Å; H107-Q111 WeakPolarHBondContact O-CB 3.46Å; H107-Q111 PolarHBondContact O-N 3.3Å; G108-Q111 PolarHBondContact O-N 3.22Å; Q111-R113 VanDerWaalsContact C-N 3.35Å; Q111-R113 PolarHBondContact O-N 3.38Å; Q111-I114 WeakPolarHBondContact O-CB 3.44Å; Q111-I114 PolarHBondContact O-N 2.89Å; Q111-I114 VanDerWaalsContact O-N 3.16Å; Q111-Y115 HydrophobicContact CB-CE2 4.48Å; Q111-Y115 HydrophobicContact CG-CD2 4.19Å; Q111-Y115 HydrophobicContact CG-CE1 3.99Å; Q111-Y115 HydrophobicContact CG-CE2 3.49Å; Q111-Y115 VanDerWaalsContact CG-CE2 3.49Å; Q111-Y115 VanDerWaalsContact CG-OH 3.29Å; Q111-Y115 WeakPolarHBondContact CG-OH 3.05Å; Q111-Y115 PolarHBondContact NE2-OH 3.13Å; Q111-Y115 WeakPolarHBondContact O-CD2 3.35Å; Q111-Y115 VanDerWaalsContact O-CG 3.31Å; Q111-Y115 PolarHBondContact O-N 2.75Å |
| 112 | D | 87.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 174.3 | -177.1 | 58.5 | 0 | 0 | 0 | 112.4 | G108 I114 Y115 T116 | G108-D112 VanDerWaalsContact O-CB 3.3Å; G108-D112 WeakPolarHBondContact O-CB 3.24Å; G108-D112 PolarHBondContact O-N 3.48Å; D112-I114 VanDerWaalsContact C-N 3.34Å; D112-I114 PolarHBondContact O-N 2.86Å; D112-Y115 PolarHBondContact O-N 3.4Å; D112-T116 VanDerWaalsContact O-CB 3.29Å; D112-T116 WeakPolarHBondContact O-CB 3.46Å; D112-T116 PolarHBondContact O-N 3.3Å; D112-T116 PolarHBondContact O-OG1 2.99Å; D112-T116 VanDerWaalsContact O-OG1 3.05Å |
| 113 | R | 88.1 | Confident | 87.8 | Confident | 136 Ų | 136 | 51.7 Ų | 51.7 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 171.3 | -75.1 | 176.7 | 63.1 | -153.5 | -6.2 | 111.6 | N109 T110 Q111 T116 R117 | N109-R113 WeakPolarHBondContact O-CG 3.25Å; N109-R113 PolarHBondContact O-N 3.19Å; T110-R113 PolarHBondContact O-N 3.06Å; Q111-R113 VanDerWaalsContact C-N 3.35Å; Q111-R113 PolarHBondContact O-N 3.38Å; R113-T116 PolarHBondContact O-N 2.83Å; R113-R117 WeakPolarHBondContact O-CB 3.42Å; R113-R117 PolarHBondContact O-N 2.87Å |
| 114 | I | 89.5 | Confident | 88.2 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 178.6 | -68 | 165.1 | 0 | 0 | 0 | 110.6 | W52 R53 K88 T110 Q111 D112 R117 A118 | W52-I114 HydrophobicContact CB-CG1 4.24Å; W52-I114 HydrophobicContact CE3-CG2 4.15Å; R53-I114 HydrophobicContact CB-CD1 4.37Å; R53-I114 HydrophobicContact CG-CD1 3.38Å; K88-I114 HydrophobicContact CB-CG2 4.27Å; T110-I114 HydrophobicContact CG2-CD1 4.29Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 2.84Å; Q111-I114 WeakPolarHBondContact O-CB 3.44Å; Q111-I114 PolarHBondContact O-N 2.89Å; Q111-I114 VanDerWaalsContact O-N 3.16Å; D112-I114 VanDerWaalsContact C-N 3.34Å; D112-I114 PolarHBondContact O-N 2.86Å; I114-R117 PolarHBondContact O-N 3.37Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 3.36Å |
| 115 | Y | 92.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 178 | -64.8 | -27.7 | 0 | 0 | 0 | 111.4 | K88 P91 Q111 D112 R117 A118 H119 D156 N160 | K88-Y115 VanDerWaalsContact O-CD1 3.25Å; K88-Y115 WeakPolarHBondContact O-CD1 3.17Å; K88-Y115 VanDerWaalsContact O-CE1 3.24Å; K88-Y115 WeakPolarHBondContact O-CE1 3.32Å; P91-Y115 WeakPolarHBondContact CD-OH 3.4Å; Q111-Y115 HydrophobicContact CB-CE2 4.48Å; Q111-Y115 HydrophobicContact CG-CD2 4.19Å; Q111-Y115 HydrophobicContact CG-CE1 3.99Å; Q111-Y115 HydrophobicContact CG-CE2 3.49Å; Q111-Y115 VanDerWaalsContact CG-CE2 3.49Å; Q111-Y115 VanDerWaalsContact CG-OH 3.29Å; Q111-Y115 WeakPolarHBondContact CG-OH 3.05Å; Q111-Y115 PolarHBondContact NE2-OH 3.13Å; Q111-Y115 WeakPolarHBondContact O-CD2 3.35Å; Q111-Y115 VanDerWaalsContact O-CG 3.31Å; Q111-Y115 PolarHBondContact O-N 2.75Å; D112-Y115 PolarHBondContact O-N 3.4Å; Y115-R117 VanDerWaalsContact C-N 3.35Å; Y115-R117 PolarHBondContact O-N 2.88Å; Y115-A118 WeakPolarHBondContact O-CB 3.5Å; Y115-A118 PolarHBondContact O-N 2.92Å; Y115-A118 VanDerWaalsContact O-N 3.08Å; Y115-H119 PolarHBondContact O-CD2 3.15Å; Y115-H119 PolarHBondContact O-N 3.14Å; Y115-D156 HydrophobicContact CE2-CB 4.1Å; Y115-D156 WeakPolarHBondContact CE2-OD2 3.36Å; Y115-D156 WeakPolarHBondContact OH-CB 3.42Å; Y115-D156 PolarHBondContact OH-OD2 3.15Å; Y115-N160 VanDerWaalsContact CD1-ND2 3.33Å; Y115-N160 WeakPolarHBondContact CD1-ND2 3.44Å; Y115-N160 VanDerWaalsContact CE1-ND2 3.33Å; Y115-N160 WeakPolarHBondContact CE1-ND2 3.48Å |
| 116 | T | 92.1 | Very high | 88.8 | Confident | 43 Ų | 43 | 48 Ų | 48 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 178 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | D112 R113 A118 H119 I120 R163 | D112-T116 VanDerWaalsContact O-CB 3.29Å; D112-T116 WeakPolarHBondContact O-CB 3.46Å; D112-T116 PolarHBondContact O-N 3.3Å; D112-T116 PolarHBondContact O-OG1 2.99Å; D112-T116 VanDerWaalsContact O-OG1 3.05Å; R113-T116 PolarHBondContact O-N 2.83Å; T116-A118 VanDerWaalsContact C-N 3.32Å; T116-A118 PolarHBondContact O-N 3.19Å; T116-H119 PolarHBondContact O-N 2.89Å; T116-I120 HydrophobicContact CG2-CD1 4.17Å; T116-I120 WeakPolarHBondContact O-CG1 3.41Å; T116-I120 PolarHBondContact O-N 2.94Å; T116-R163 PolarHBondContact OG1-NH1 3.5Å; T116-R163 VanDerWaalsContact OG1-NH1 3.09Å; T116-R163 PolarHBondContact OG1-NH2 3.07Å; T116-R163 VanDerWaalsContact OG1-NH2 3.17Å |
| 117 | R | 90.6 | Very high | 89.1 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 174.1 | -178.4 | 56.3 | 56.6 | -152.4 | -14.8 | 112.1 | W52 D57 A60 K61 R113 I114 Y115 I120 A121 | W52-R117 HydrophobicContact CE3-CB 4.14Å; W52-R117 HydrophobicContact CE3-CG 3.86Å; W52-R117 HydrophobicContact CH2-CG 3.79Å; W52-R117 HydrophobicContact CZ3-CB 3.77Å; W52-R117 HydrophobicContact CZ3-CG 3.43Å; W52-R117 VanDerWaalsContact CZ3-CG 3.43Å; D57-R117 IonicContact OD1-CZ 2.75Å; D57-R117 IonicContact OD1-NE 2.8Å; D57-R117 PolarHBondContact OD1-NE 2.99Å; D57-R117 IonicContact OD1-NH2 2.69Å; D57-R117 PolarHBondContact OD1-NH2 3.1Å; D57-R117 IonicContact OD2-CZ 3.17Å; D57-R117 IonicContact OD2-NH2 2.74Å; D57-R117 PolarHBondContact OD2-NH2 2.94Å; A60-R117 HydrophobicContact CB-CG 3.87Å; K61-R117 VanDerWaalsContact CE-CZ 3.45Å; K61-R117 VanDerWaalsContact CG-CZ 3.5Å; R113-R117 WeakPolarHBondContact O-CB 3.42Å; R113-R117 PolarHBondContact O-N 2.87Å; I114-R117 PolarHBondContact O-N 3.37Å; Y115-R117 VanDerWaalsContact C-N 3.35Å; Y115-R117 PolarHBondContact O-N 2.88Å; R117-I120 PolarHBondContact O-N 3.36Å; R117-A121 WeakPolarHBondContact O-CB 3.45Å; R117-A121 PolarHBondContact O-N 2.67Å |
| 118 | A | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W52 K88 F89 I114 Y115 T116 A121 V122 | W52-A118 HydrophobicContact CZ3-CB 3.95Å; K88-A118 HydrophobicContact CB-CB 3.89Å; F89-A118 HydrophobicContact CD1-CB 3.95Å; F89-A118 HydrophobicContact CE1-CB 3.64Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 3.36Å; Y115-A118 WeakPolarHBondContact O-CB 3.5Å; Y115-A118 PolarHBondContact O-N 2.92Å; Y115-A118 VanDerWaalsContact O-N 3.08Å; T116-A118 VanDerWaalsContact C-N 3.32Å; T116-A118 PolarHBondContact O-N 3.19Å; A118-A121 PolarHBondContact O-N 3.35Å; A118-V122 WeakPolarHBondContact O-CG2 3.29Å; A118-V122 PolarHBondContact O-N 3.23Å |
| 119 | H | 94.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 173.4 | -76 | -64.2 | 0 | 0 | 0 | 112.3 | F89 Y115 T116 A121 V122 Q123 N160 R163 Y167 | F89-H119 AromaticContact CE1-CE1 3.57Å; F89-H119 AromaticContact CE1-ND1 3.73Å; F89-H119 AromaticContact CE1-NE2 3.79Å; F89-H119 AromaticContact CZ-CE1 3.69Å; F89-H119 AromaticContact CZ-ND1 3.69Å; Y115-H119 PolarHBondContact O-CD2 3.15Å; Y115-H119 PolarHBondContact O-N 3.14Å; T116-H119 PolarHBondContact O-N 2.89Å; H119-A121 VanDerWaalsContact C-N 3.31Å; H119-A121 PolarHBondContact O-N 2.94Å; H119-V122 PolarHBondContact O-N 2.95Å; H119-Q123 WeakPolarHBondContact O-CG 3.36Å; H119-Q123 PolarHBondContact O-N 3.45Å; H119-N160 PolarHBondContact CE1-O 3.12Å; H119-N160 PolarHBondContact NE2-OD1 3.29Å; H119-R163 VanDerWaalsContact CD2-CD 3.42Å; H119-R163 WeakPolarHBondContact CD2-CD 3.39Å; H119-R163 PolarHBondContact CD2-NE 3.11Å; H119-R163 WeakPolarHBondContact NE2-CD 3.12Å; H119-Y167 HydrophobicContact CB-CE1 4.19Å; H119-Y167 AromaticContact ND1-CE1 3.39Å; H119-Y167 WeakPolarHBondContact ND1-CE1 3.25Å; H119-Y167 AromaticContact ND1-CZ 3.6Å; H119-Y167 PolarHBondContact ND1-OH 3.29Å |
| 120 | I | 92.8 | Very high | 89 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 26% | 0.256 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 174.2 | -65.6 | 164.9 | 0 | 0 | 0 | 110.1 | T116 R117 V122 Q123 E124 | T116-I120 HydrophobicContact CG2-CD1 4.17Å; T116-I120 WeakPolarHBondContact O-CG1 3.41Å; T116-I120 PolarHBondContact O-N 2.94Å; R117-I120 PolarHBondContact O-N 3.36Å; I120-V122 VanDerWaalsContact C-N 3.31Å; I120-V122 PolarHBondContact O-N 2.75Å; I120-Q123 WeakPolarHBondContact O-CB 3.4Å; I120-Q123 PolarHBondContact O-N 3.31Å; I120-Q123 VanDerWaalsContact O-N 3.11Å; I120-E124 HydrophobicContact CG2-CG 4.37Å; I120-E124 WeakPolarHBondContact O-CG 3.49Å; I120-E124 PolarHBondContact O-N 3.39Å |
| 121 | A | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W52 V64 F85 R117 A118 H119 L125 | W52-A121 HydrophobicContact CH2-CB 4.36Å; V64-A121 HydrophobicContact CB-CB 4.43Å; V64-A121 HydrophobicContact CG1-CB 3.82Å; V64-A121 HydrophobicContact CG2-CB 3.62Å; F85-A121 HydrophobicContact CD1-CB 3.97Å; F85-A121 HydrophobicContact CD2-CB 4.24Å; F85-A121 HydrophobicContact CE1-CB 3.82Å; F85-A121 HydrophobicContact CE2-CB 4.09Å; F85-A121 HydrophobicContact CG-CB 4.2Å; F85-A121 HydrophobicContact CZ-CB 3.89Å; R117-A121 WeakPolarHBondContact O-CB 3.45Å; R117-A121 PolarHBondContact O-N 2.67Å; A118-A121 PolarHBondContact O-N 3.35Å; H119-A121 VanDerWaalsContact C-N 3.31Å; H119-A121 PolarHBondContact O-N 2.94Å; A121-L125 VanDerWaalsContact O-CB 3.24Å; A121-L125 WeakPolarHBondContact O-CB 3.32Å; A121-L125 PolarHBondContact O-N 2.85Å |
| 122 | V | 92.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | F85 F89 A118 H119 I120 L125 H126 L136 Y167 L168 | F85-V122 HydrophobicContact CB-CG2 3.94Å; F85-V122 HydrophobicContact CD2-CG2 4.45Å; F89-V122 HydrophobicContact CE2-CG2 4.45Å; F89-V122 HydrophobicContact CZ-CG2 3.95Å; A118-V122 WeakPolarHBondContact O-CG2 3.29Å; A118-V122 PolarHBondContact O-N 3.23Å; H119-V122 PolarHBondContact O-N 2.95Å; I120-V122 VanDerWaalsContact C-N 3.31Å; I120-V122 PolarHBondContact O-N 2.75Å; V122-L125 PolarHBondContact O-N 2.85Å; V122-H126 WeakPolarHBondContact O-CB 3Å; V122-H126 PolarHBondContact O-N 3.46Å; V122-L136 HydrophobicContact CG1-CD2 3.74Å; V122-Y167 HydrophobicContact CG1-CE2 4.09Å; V122-L168 HydrophobicContact CG1-CD1 4.46Å |
| 123 | Q | 92 | Very high | 88.6 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -49.6 | 173.6 | -72.9 | 174.5 | -31.4 | 0 | 0 | 111.2 | H119 I120 L125 H126 E127 Y167 | H119-Q123 WeakPolarHBondContact O-CG 3.36Å; H119-Q123 PolarHBondContact O-N 3.45Å; I120-Q123 WeakPolarHBondContact O-CB 3.4Å; I120-Q123 PolarHBondContact O-N 3.31Å; I120-Q123 VanDerWaalsContact O-N 3.11Å; Q123-L125 VanDerWaalsContact C-N 3.29Å; Q123-L125 PolarHBondContact O-N 2.93Å; Q123-H126 WeakPolarHBondContact O-CB 3.41Å; Q123-H126 PolarHBondContact O-N 3.08Å; Q123-H126 VanDerWaalsContact O-N 3.1Å; Q123-E127 WeakPolarHBondContact O-CG 3.36Å; Q123-E127 PolarHBondContact O-N 2.88Å; Q123-Y167 HydrophobicContact CG-CD1 4.48Å; Q123-Y167 HydrophobicContact CG-CD2 3.42Å; Q123-Y167 VanDerWaalsContact CG-CD2 3.42Å; Q123-Y167 HydrophobicContact CG-CE2 3.62Å; Q123-Y167 HydrophobicContact CG-CG 3.9Å; Q123-Y167 VanDerWaalsContact NE2-CB 3.28Å |
| 124 | E | 90.9 | Very high | 88.6 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -38.7 | 176.5 | -68.5 | 178.5 | -172.8 | 0 | 0 | 111.6 | V64 L68 I120 H126 E127 F128 | V64-E124 VanDerWaalsContact CG1-OE2 3.26Å; V64-E124 WeakPolarHBondContact CG1-OE2 3.35Å; L68-E124 HydrophobicContact CD1-CB 3.79Å; I120-E124 HydrophobicContact CG2-CG 4.37Å; I120-E124 WeakPolarHBondContact O-CG 3.49Å; I120-E124 PolarHBondContact O-N 3.39Å; E124-H126 PolarHBondContact O-N 3.06Å; E124-E127 PolarHBondContact O-N 3.38Å; E124-F128 WeakPolarHBondContact O-CB 3.46Å; E124-F128 PolarHBondContact O-N 3.41Å |
| 125 | L | 90.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 174.9 | 179.8 | 64.2 | 0 | 0 | 0 | 112.5 | L68 L71 L78 I82 F85 A121 V122 Q123 F128 S129 V132 | L68-L125 HydrophobicContact CD2-CB 4.2Å; L68-L125 HydrophobicContact CD2-CD1 3.96Å; L71-L125 HydrophobicContact CD1-CD1 3.25Å; L78-L125 HydrophobicContact CD1-CD1 4.3Å; I82-L125 HydrophobicContact CG1-CD2 3.82Å; F85-L125 HydrophobicContact CD2-CD2 3.96Å; F85-L125 HydrophobicContact CE2-CB 4.28Å; F85-L125 HydrophobicContact CE2-CD2 4.1Å; A121-L125 VanDerWaalsContact O-CB 3.24Å; A121-L125 WeakPolarHBondContact O-CB 3.32Å; A121-L125 PolarHBondContact O-N 2.85Å; V122-L125 PolarHBondContact O-N 2.85Å; Q123-L125 VanDerWaalsContact C-N 3.29Å; Q123-L125 PolarHBondContact O-N 2.93Å; L125-F128 PolarHBondContact O-N 2.69Å; L125-S129 PolarHBondContact O-N 3.01Å; L125-V132 HydrophobicContact CD1-CG2 4.37Å; L125-V132 HydrophobicContact CD2-CG1 3.85Å; L125-V132 HydrophobicContact CG-CG1 3.96Å; L125-V132 HydrophobicContact CG-CG2 4.36Å |
| 126 | H | 87.9 | Confident | 88.6 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 21% | 0.213 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69 | -40.8 | 177.1 | 175.6 | -101.7 | 0 | 0 | 0 | 111.8 | V122 Q123 E124 F128 S129 L168 Y170 | V122-H126 WeakPolarHBondContact O-CB 3Å; V122-H126 PolarHBondContact O-N 3.46Å; Q123-H126 WeakPolarHBondContact O-CB 3.41Å; Q123-H126 PolarHBondContact O-N 3.08Å; Q123-H126 VanDerWaalsContact O-N 3.1Å; E124-H126 PolarHBondContact O-N 3.06Å; H126-F128 VanDerWaalsContact C-N 3.27Å; H126-F128 PolarHBondContact O-N 3.35Å; H126-S129 CarbonylContact O-C 3.58Å; H126-S129 VanDerWaalsContact O-C 3.29Å; H126-S129 PolarHBondContact O-N 2.85Å; H126-L168 HydrophobicContact CB-CD2 4.12Å; H126-Y170 AromaticContact CD2-CZ 3.75Å; H126-Y170 PolarHBondContact CD2-OH 3.45Å; H126-Y170 AromaticContact CE1-CE1 3.7Å; H126-Y170 AromaticContact NE2-CE1 3.42Å; H126-Y170 WeakPolarHBondContact NE2-CE1 3.47Å; H126-Y170 AromaticContact NE2-CZ 3.35Å; H126-Y170 PolarHBondContact NE2-OH 3.35Å |
| 127 | E | 88 | Confident | 88.6 | Confident | 161 Ų | 161 | 51.8 Ų | 51.8 | 75% | 0.752 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.3 | -36.3 | 173.3 | -71.5 | 179.3 | -176.3 | 0 | 0 | 112 | Q123 E124 | Q123-E127 WeakPolarHBondContact O-CG 3.36Å; Q123-E127 PolarHBondContact O-N 2.88Å; E124-E127 PolarHBondContact O-N 3.38Å |
| 128 | F | 84.7 | Confident | 88.7 | Confident | 92 Ų | 92 | 58 Ų | 58 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.5 | -177.9 | -95.9 | 0 | 0 | 0 | 112.9 | L71 A72 E124 L125 H126 | L71-F128 HydrophobicContact CB-CE1 4.31Å; A72-F128 HydrophobicContact CB-CE2 3.87Å; A72-F128 HydrophobicContact CB-CZ 3.72Å; E124-F128 WeakPolarHBondContact O-CB 3.46Å; E124-F128 PolarHBondContact O-N 3.41Å; L125-F128 PolarHBondContact O-N 2.69Å; H126-F128 VanDerWaalsContact C-N 3.27Å; H126-F128 PolarHBondContact O-N 3.35Å |
| 129 | S | 81 | Confident | 88.7 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | trans | -152.6 | 117.8 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | L125 H126 M131 V132 | L125-S129 PolarHBondContact O-N 3.01Å; H126-S129 CarbonylContact O-C 3.58Å; H126-S129 VanDerWaalsContact O-C 3.29Å; H126-S129 PolarHBondContact O-N 2.85Å; S129-M131 PolarHBondContact O-N 2.74Å; S129-M131 VanDerWaalsContact O-N 3.12Å; S129-V132 VanDerWaalsContact O-CB 3.32Å; S129-V132 WeakPolarHBondContact O-CB 3.28Å; S129-V132 WeakPolarHBondContact O-CG2 3.33Å; S129-V132 PolarHBondContact O-N 2.81Å; S129-V132 VanDerWaalsContact O-N 3.12Å | ||
| 130 | P | 79.3 | Confident | 88.7 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 62% | 0.623 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.3 | 177.8 | 26 | -33.7 | 0 | 0 | 0 | 113.2 | V132 S133 | P130-V132 PolarHBondContact O-N 3.49Å; P130-S133 PolarHBondContact O-OG 3.04Å |
| 131 | M | 79.1 | Confident | 88.8 | Confident | 155 Ų | 155 | 58.9 Ų | 58.9 | 76% | 0.764 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -11.7 | 175.8 | -58.7 | -144.7 | 96.2 | 0 | 0 | 113.3 | S129 S133 | S129-M131 PolarHBondContact O-N 2.74Å; S129-M131 VanDerWaalsContact O-N 3.12Å; M131-S133 VanDerWaalsContact C-N 3.25Å; M131-S133 PolarHBondContact O-N 2.8Å |
| 132 | V | 85.7 | Confident | 88.9 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.5 | -31.3 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | L78 I82 L125 S129 P130 N134 R135 L136 | L78-V132 HydrophobicContact CD1-CG1 4.46Å; L78-V132 HydrophobicContact CD1-CG2 3.74Å; L78-V132 HydrophobicContact CD2-CG2 4.23Å; I82-V132 HydrophobicContact CD1-CG1 3.84Å; I82-V132 HydrophobicContact CG1-CG1 4.1Å; L125-V132 HydrophobicContact CD1-CG2 4.37Å; L125-V132 HydrophobicContact CD2-CG1 3.85Å; L125-V132 HydrophobicContact CG-CG1 3.96Å; L125-V132 HydrophobicContact CG-CG2 4.36Å; S129-V132 VanDerWaalsContact O-CB 3.32Å; S129-V132 WeakPolarHBondContact O-CB 3.28Å; S129-V132 WeakPolarHBondContact O-CG2 3.33Å; S129-V132 PolarHBondContact O-N 2.81Å; S129-V132 VanDerWaalsContact O-N 3.12Å; P130-V132 PolarHBondContact O-N 3.49Å; V132-N134 PolarHBondContact O-N 3.12Å; V132-R135 CarbonylContact O-C 3.44Å; V132-R135 WeakPolarHBondContact O-CA 3.29Å; V132-R135 PolarHBondContact O-N 2.59Å; V132-L136 HydrophobicContact CG1-CB 4.13Å; V132-L136 WeakPolarHBondContact O-CB 3.35Å; V132-L136 PolarHBondContact O-N 3.32Å |
| 133 | S | 85.2 | Confident | 88.9 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -44.3 | -53.2 | -176.1 | -63.9 | 0 | 0 | 0 | 0 | 115 | P130 M131 R135 L136 L137 Y170 | P130-S133 PolarHBondContact O-OG 3.04Å; M131-S133 VanDerWaalsContact C-N 3.25Å; M131-S133 PolarHBondContact O-N 2.8Å; S133-R135 VanDerWaalsContact C-N 3.32Å; S133-R135 PolarHBondContact O-N 2.88Å; S133-L136 PolarHBondContact O-N 3.01Å; S133-L137 WeakPolarHBondContact O-CB 3.33Å; S133-L137 PolarHBondContact O-N 3.08Å; S133-Y170 VanDerWaalsContact CB-CE2 3.49Å; S133-Y170 WeakPolarHBondContact OG-CE2 3.29Å; S133-Y170 VanDerWaalsContact OG-CZ 3.23Å; S133-Y170 PolarHBondContact OG-OH 2.94Å |
| 134 | N | 87.1 | Confident | 89 | Confident | 120 Ų | 120 | 62.9 Ų | 62.9 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.4 | -32.8 | -179 | -74.4 | -32.5 | 0 | 0 | 0 | 112.8 | V132 K138 | V132-N134 PolarHBondContact O-N 3.12Å; N134-K138 WeakPolarHBondContact O-CG 3.19Å; N134-K138 PolarHBondContact O-N 3.27Å |
| 135 | R | 90.6 | Very high | 89 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.5 | -38.7 | 177.5 | -70.1 | 177.9 | 175 | -113.9 | 5.9 | 111.1 | D79 I82 V132 S133 K138 A139 | D79-R135 WeakPolarHBondContact OD1-CD 3.45Å; D79-R135 IonicContact OD1-CZ 3.78Å; D79-R135 IonicContact OD1-NH1 2.77Å; D79-R135 PolarHBondContact OD1-NH1 3.41Å; D79-R135 IonicContact OD2-NH1 2.81Å; D79-R135 PolarHBondContact OD2-NH1 3.16Å; I82-R135 HydrophobicContact CD1-CB 3.73Å; V132-R135 CarbonylContact O-C 3.44Å; V132-R135 WeakPolarHBondContact O-CA 3.29Å; V132-R135 PolarHBondContact O-N 2.59Å; S133-R135 VanDerWaalsContact C-N 3.32Å; S133-R135 PolarHBondContact O-N 2.88Å; R135-K138 PolarHBondContact O-N 3.47Å; R135-A139 WeakPolarHBondContact O-CB 3.44Å; R135-A139 PolarHBondContact O-N 3.09Å |
| 136 | L | 92 | Very high | 89.1 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 172.9 | 178.2 | 63.1 | 0 | 0 | 0 | 110.5 | I82 V86 V122 V132 S133 K138 A139 L140 L168 M171 | I82-L136 HydrophobicContact CG2-CD1 3.82Å; V86-L136 HydrophobicContact CG2-CD1 3.92Å; V122-L136 HydrophobicContact CG1-CD2 3.74Å; V132-L136 HydrophobicContact CG1-CB 4.13Å; V132-L136 WeakPolarHBondContact O-CB 3.35Å; V132-L136 PolarHBondContact O-N 3.32Å; S133-L136 PolarHBondContact O-N 3.01Å; L136-K138 PolarHBondContact O-N 3.22Å; L136-A139 PolarHBondContact O-N 2.94Å; L136-A139 VanDerWaalsContact O-N 3.14Å; L136-L140 HydrophobicContact CD1-CD1 4.16Å; L136-L140 HydrophobicContact CD1-CG 4.16Å; L136-L140 HydrophobicContact CG-CD1 3.93Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.34Å; L136-L140 PolarHBondContact O-N 3.2Å; L136-L168 HydrophobicContact CD2-CD1 3.81Å; L136-M171 HydrophobicContact CD2-CE 4.46Å; L136-M171 HydrophobicContact CG-CE 4.44Å |
| 137 | L | 92 | Very high | 89 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 176.3 | -175.5 | 61.1 | 0 | 0 | 0 | 111.4 | S133 A139 L140 S141 M171 E174 L175 | S133-L137 WeakPolarHBondContact O-CB 3.33Å; S133-L137 PolarHBondContact O-N 3.08Å; L137-A139 VanDerWaalsContact C-N 3.29Å; L137-A139 PolarHBondContact O-N 2.93Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-S141 PolarHBondContact O-N 2.83Å; L137-S141 PolarHBondContact O-OG 3.47Å; L137-M171 HydrophobicContact CB-CE 3.63Å; L137-M171 HydrophobicContact CD1-CE 3.99Å; L137-M171 HydrophobicContact CG-CE 4.33Å; L137-E174 HydrophobicContact CD1-CB 3.74Å; L137-E174 HydrophobicContact CD2-CB 3.58Å; L137-E174 HydrophobicContact CD2-CG 3.74Å; L137-E174 HydrophobicContact CG-CB 4.31Å; L137-L175 HydrophobicContact CD1-CD2 4.08Å; L137-L175 HydrophobicContact CD1-CG 4.5Å |
| 138 | K | 92.9 | Very high | 88.9 | Confident | 158 Ų | 158 | 67.3 Ų | 67.3 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 176.6 | -74.1 | 177.6 | -178.1 | -175.6 | 0 | 112.3 | N134 R135 L136 A142 | N134-K138 WeakPolarHBondContact O-CG 3.19Å; N134-K138 PolarHBondContact O-N 3.27Å; R135-K138 PolarHBondContact O-N 3.47Å; L136-K138 PolarHBondContact O-N 3.22Å; K138-A142 WeakPolarHBondContact O-CB 3.33Å; K138-A142 PolarHBondContact O-N 3.33Å |
| 139 | A | 93.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I82 V86 R135 L136 L137 A142 N143 | I82-A139 HydrophobicContact CG2-CB 3.43Å; I82-A139 VanDerWaalsContact CG2-CB 3.43Å; V86-A139 HydrophobicContact CG2-CB 4.32Å; R135-A139 WeakPolarHBondContact O-CB 3.44Å; R135-A139 PolarHBondContact O-N 3.09Å; L136-A139 PolarHBondContact O-N 2.94Å; L136-A139 VanDerWaalsContact O-N 3.14Å; L137-A139 VanDerWaalsContact C-N 3.29Å; L137-A139 PolarHBondContact O-N 2.93Å; A139-A142 PolarHBondContact O-N 2.92Å; A139-N143 WeakPolarHBondContact O-CB 3.23Å; A139-N143 PolarHBondContact O-N 3.42Å; A139-N143 PolarHBondContact O-ND2 3.32Å |
| 140 | L | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.6 | -70.8 | 170 | 0 | 0 | 0 | 111.5 | V86 F89 L136 L137 Y144 Y157 L161 V164 M171 L175 | V86-L140 HydrophobicContact CB-CD2 4.43Å; V86-L140 HydrophobicContact CG1-CD2 3.96Å; V86-L140 HydrophobicContact CG2-CD2 3.73Å; V86-L140 HydrophobicContact CG2-CG 4.19Å; F89-L140 HydrophobicContact CD2-CD2 4.04Å; F89-L140 HydrophobicContact CE2-CD2 4.07Å; L136-L140 HydrophobicContact CD1-CD1 4.16Å; L136-L140 HydrophobicContact CD1-CG 4.16Å; L136-L140 HydrophobicContact CG-CD1 3.93Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.34Å; L136-L140 PolarHBondContact O-N 3.2Å; L137-L140 PolarHBondContact O-N 3.47Å; L140-Y144 PolarHBondContact O-N 3.24Å; L140-Y157 WeakPolarHBondContact CA-OH 3.17Å; L140-Y157 PolarHBondContact O-OH 3.01Å; L140-L161 HydrophobicContact CB-CD2 4.12Å; L140-L161 HydrophobicContact CD1-CD2 4.2Å; L140-L161 HydrophobicContact CD2-CD2 3.82Å; L140-L161 HydrophobicContact CG-CD2 4.27Å; L140-V164 HydrophobicContact CD1-CG1 4.42Å; L140-M171 HydrophobicContact CD1-CE 4.46Å; L140-L175 HydrophobicContact CD1-CD2 3.63Å |
| 141 | S | 93.9 | Very high | 89.8 | Confident | 53 Ų | 53 | 65 Ų | 65 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | L137 N143 Y144 | L137-S141 PolarHBondContact O-N 2.83Å; L137-S141 PolarHBondContact O-OG 3.47Å; S141-N143 VanDerWaalsContact C-N 3.32Å; S141-N143 PolarHBondContact O-N 3.2Å; S141-Y144 PolarHBondContact O-N 3.22Å |
| 142 | A | 94 | Very high | 90.3 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 68% | 0.678 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -71.1 | -24.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | K138 A139 | K138-A142 WeakPolarHBondContact O-CB 3.33Å; K138-A142 PolarHBondContact O-N 3.33Å; A139-A142 PolarHBondContact O-N 2.92Å |
| 143 | N | 93 | Very high | 90.6 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 10 | 179.5 | -69.4 | -86.1 | 0 | 0 | 0 | 113.3 | L83 V86 A139 S141 | L83-N143 WeakPolarHBondContact CD1-ND2 3.48Å; L83-N143 WeakPolarHBondContact CD1-OD1 3.47Å; V86-N143 HydrophobicContact CG1-CB 3.86Å; A139-N143 WeakPolarHBondContact O-CB 3.23Å; A139-N143 PolarHBondContact O-N 3.42Å; A139-N143 PolarHBondContact O-ND2 3.32Å; S141-N143 VanDerWaalsContact C-N 3.32Å; S141-N143 PolarHBondContact O-N 3.2Å |
| 144 | Y | 93.8 | Very high | 90.9 | Very high | 30 Ų | 30 | 58 Ų | 58 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 129.8 | 174.6 | -165.8 | -79.8 | 0 | 0 | 0 | 110.1 | L140 S141 F146 Y157 N158 L161 L178 E182 | L140-Y144 PolarHBondContact O-N 3.24Å; S141-Y144 PolarHBondContact O-N 3.22Å; Y144-F146 PolarHBondContact O-N 3.32Å; Y144-Y157 AromaticContact CD2-CD1 3.6Å; Y144-Y157 HydrophobicContact CD2-CD1 3.6Å; Y144-Y157 AromaticContact CD2-CE1 3.56Å; Y144-Y157 HydrophobicContact CD2-CE1 3.56Å; Y144-Y157 AromaticContact CE2-CD1 3.93Å; Y144-Y157 HydrophobicContact CE2-CD1 3.93Å; Y144-Y157 HydrophobicContact CE2-CE1 4.32Å; Y144-Y157 HydrophobicContact CG-CD1 4.17Å; Y144-Y157 HydrophobicContact CG-CE1 4.04Å; Y144-N158 PolarHBondContact OH-ND2 3.21Å; Y144-N158 PolarHBondContact OH-OD1 3.46Å; Y144-L161 HydrophobicContact CD2-CD1 3.94Å; Y144-L161 HydrophobicContact CE2-CD1 3.9Å; Y144-L178 HydrophobicContact CD2-CD2 4.36Å; Y144-L178 HydrophobicContact CD2-CG 4.32Å; Y144-E182 HydrophobicContact CD1-CB 4.22Å; Y144-E182 HydrophobicContact CD1-CG 3.71Å; Y144-E182 HydrophobicContact CD2-CG 3.95Å; Y144-E182 HydrophobicContact CE1-CB 3.51Å; Y144-E182 HydrophobicContact CE1-CG 3.54Å; Y144-E182 HydrophobicContact CE2-CB 3.9Å; Y144-E182 HydrophobicContact CE2-CG 3.8Å; Y144-E182 HydrophobicContact CG-CG 3.92Å; Y144-E182 VanDerWaalsContact OH-CB 3.28Å; Y144-E182 WeakPolarHBondContact OH-CB 3.42Å |
| 145 | P | 91.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 132.7 | -177.2 | -28.8 | 37 | 0 | 0 | 0 | 112.7 | L90 R149 I154 Y157 | L90-P145 HydrophobicContact CD1-CG 4.31Å; L90-P145 HydrophobicContact CD2-CG 3.45Å; L90-P145 VanDerWaalsContact CD2-CG 3.45Å; P145-R149 HydrophobicContact CB-CB 4.33Å; P145-R149 HydrophobicContact CB-CG 4.27Å; P145-I154 HydrophobicContact CB-CG1 4.1Å; P145-Y157 VanDerWaalsContact CD-CG 3.47Å; P145-Y157 HydrophobicContact CG-CD1 4.29Å; P145-Y157 HydrophobicContact CG-CD2 4.36Å; P145-Y157 HydrophobicContact CG-CG 3.91Å |
| 146 | F | 90.7 | Very high | 91.2 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 54% | 0.539 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 140.6 | 171.5 | -174.6 | -112.9 | 0 | 0 | 0 | 110.7 | Y144 R148 R149 | Y144-F146 PolarHBondContact O-N 3.32Å; F146-R148 HydrophobicContact CD1-CB 3.76Å; F146-R148 HydrophobicContact CD1-CG 4.07Å; F146-R148 HydrophobicContact CE1-CB 3.79Å; F146-R148 HydrophobicContact CE1-CG 3.58Å; F146-R148 PolarHBondContact O-N 2.68Å; F146-R149 HydrophobicContact CB-CG 4.48Å; F146-R149 VanDerWaalsContact O-CB 3.25Å; F146-R149 WeakPolarHBondContact O-CB 3.48Å; F146-R149 VanDerWaalsContact O-CG 3.24Å; F146-R149 WeakPolarHBondContact O-CG 3.36Å; F146-R149 PolarHBondContact O-N 3.46Å |
| 147 | F | 86.9 | Confident | 91.4 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20 | -172.1 | 61.9 | -98.9 | 0 | 0 | 0 | 115.7 | R149 L186 L189 F226 K229 | F147-R149 VanDerWaalsContact C-N 3.31Å; F147-L186 HydrophobicContact CB-CD1 4.34Å; F147-L189 HydrophobicContact CD1-CD1 4.16Å; F147-L189 HydrophobicContact CD2-CD1 3.96Å; F147-L189 HydrophobicContact CE1-CD1 4.34Å; F147-L189 HydrophobicContact CE2-CD1 4.16Å; F147-L189 HydrophobicContact CG-CD1 3.97Å; F147-L189 HydrophobicContact CZ-CD1 4.35Å; F147-F226 AromaticContact CD2-CE1 3.95Å; F147-F226 HydrophobicContact CD2-CE1 3.95Å; F147-F226 HydrophobicContact CD2-CZ 4.17Å; F147-F226 HydrophobicContact CE2-CZ 4.47Å; F147-K229 PolarHBondContact O-NZ 3.45Å |
| 148 | R | 86 | Confident | 91.5 | Very high | 169 Ų | 169 | 45.9 Ų | 45.9 | 64% | 0.638 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2 | 173.5 | -65 | -168.3 | 175.1 | 172.9 | -9.2 | 114.6 | F146 | F146-R148 HydrophobicContact CD1-CB 3.76Å; F146-R148 HydrophobicContact CD1-CG 4.07Å; F146-R148 HydrophobicContact CE1-CB 3.79Å; F146-R148 HydrophobicContact CE1-CG 3.58Å; F146-R148 PolarHBondContact O-N 2.68Å |
| 149 | R | 88.1 | Confident | 91.5 | Very high | 136 Ų | 136 | 44.4 Ų | 44.4 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -68.7 | 159 | 173.4 | -68.8 | -63.3 | -171.4 | 146.8 | -1.8 | 110.6 | P145 F146 F147 Q153 I154 K229 | P145-R149 HydrophobicContact CB-CB 4.33Å; P145-R149 HydrophobicContact CB-CG 4.27Å; F146-R149 HydrophobicContact CB-CG 4.48Å; F146-R149 VanDerWaalsContact O-CB 3.25Å; F146-R149 WeakPolarHBondContact O-CB 3.48Å; F146-R149 VanDerWaalsContact O-CG 3.24Å; F146-R149 WeakPolarHBondContact O-CG 3.36Å; F146-R149 PolarHBondContact O-N 3.46Å; F147-R149 VanDerWaalsContact C-N 3.31Å; R149-Q153 HydrophobicContact CB-CB 4.41Å; R149-I154 HydrophobicContact CB-CG1 4.49Å; R149-K229 VanDerWaalsContact O-CE 3.23Å; R149-K229 WeakPolarHBondContact O-CE 3.44Å; R149-K229 PolarHBondContact O-NZ 3.21Å |
| 150 | P | 87.5 | Confident | 91.6 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | -55.1 | 148.5 | 176.1 | -22.7 | 31 | 0 | 0 | 0 | 112.2 | V94 L96 V152 Q153 I154 | V94-P150 HydrophobicContact CB-CB 4.46Å; V94-P150 HydrophobicContact CB-CG 4.32Å; V94-P150 HydrophobicContact CG1-CB 3.96Å; V94-P150 HydrophobicContact CG1-CG 4.28Å; L96-P150 HydrophobicContact CD2-CG 4.12Å; P150-V152 PolarHBondContact O-N 3.45Å; P150-Q153 PolarHBondContact O-N 2.8Å; P150-I154 PolarHBondContact O-N 3.41Å | ||
| 151 | T | 88 | Confident | 91.7 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.1 | -40.8 | -179 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | V100 Q153 I154 R155 K229 | V100-T151 HydrophobicContact CG2-CG2 3.62Å; T151-Q153 VanDerWaalsContact C-N 3.32Å; T151-Q153 PolarHBondContact O-N 2.76Å; T151-I154 PolarHBondContact O-N 3.32Å; T151-R155 WeakPolarHBondContact O-CB 3.35Å; T151-R155 PolarHBondContact O-N 2.98Å; T151-K229 HydrophobicContact CG2-CB 4.42Å; T151-K229 HydrophobicContact CG2-CG 3.82Å; T151-K229 WeakPolarHBondContact OG1-CG 3.29Å |
| 152 | V | 89.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.7 | -44.7 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | P91 V94 V100 Y103 P150 D156 | P91-V152 HydrophobicContact CG-CG1 3.98Å; V94-V152 HydrophobicContact CG1-CB 4.06Å; V94-V152 HydrophobicContact CG1-CG2 4.01Å; V94-V152 HydrophobicContact CG2-CG1 4.42Å; V100-V152 HydrophobicContact CG2-CG2 4.28Å; Y103-V152 HydrophobicContact CD1-CG1 3.42Å; Y103-V152 VanDerWaalsContact CD1-CG1 3.42Å; Y103-V152 HydrophobicContact CD2-CG1 4.39Å; Y103-V152 HydrophobicContact CE1-CG1 3.83Å; Y103-V152 HydrophobicContact CG-CG1 3.73Å; Y103-V152 HydrophobicContact CG-CG2 4.17Å; P150-V152 PolarHBondContact O-N 3.45Å; V152-D156 VanDerWaalsContact O-CB 3.29Å; V152-D156 WeakPolarHBondContact O-CB 3.36Å; V152-D156 VanDerWaalsContact O-CG 3.25Å; V152-D156 PolarHBondContact O-N 3.41Å |
| 153 | Q | 91.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | -177.6 | -69.2 | -167.8 | -25.2 | 0 | 0 | 111.8 | L90 P91 V94 R149 P150 T151 Y157 | L90-Q153 HydrophobicContact CD2-CB 4.3Å; P91-Q153 HydrophobicContact CG-CG 4.02Å; P91-Q153 PolarHBondContact O-NE2 3.26Å; V94-Q153 HydrophobicContact CG2-CG 4.08Å; R149-Q153 HydrophobicContact CB-CB 4.41Å; P150-Q153 PolarHBondContact O-N 2.8Å; T151-Q153 VanDerWaalsContact C-N 3.32Å; T151-Q153 PolarHBondContact O-N 2.76Å; Q153-Y157 VanDerWaalsContact O-CB 3.28Å; Q153-Y157 WeakPolarHBondContact O-CB 3.37Å; Q153-Y157 PolarHBondContact O-N 3.3Å; Q153-Y157 VanDerWaalsContact O-N 3.12Å |
| 154 | I | 92.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.1 | -46.6 | 179.5 | -64.2 | 168.8 | 0 | 0 | 0 | 109.8 | P145 R149 P150 T151 N158 K229 | P145-I154 HydrophobicContact CB-CG1 4.1Å; R149-I154 HydrophobicContact CB-CG1 4.49Å; P150-I154 PolarHBondContact O-N 3.41Å; T151-I154 PolarHBondContact O-N 3.32Å; I154-N158 PolarHBondContact O-N 2.82Å; I154-N158 VanDerWaalsContact O-N 3.07Å; I154-N158 PolarHBondContact O-ND2 3.31Å; I154-K229 HydrophobicContact CD1-CD 3.68Å; I154-K229 HydrophobicContact CD1-CG 4.15Å |
| 155 | R | 92 | Very high | 91.8 | Very high | 9 Ų | 9 | 38 Ų | 38 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.2 | -55.5 | 176.1 | 179.8 | -156 | 64.3 | 168.9 | -8.8 | 111.4 | D104 T151 Y157 N158 R159 C232 D236 | D104-R155 VanDerWaalsContact CG-NH1 3.32Å; D104-R155 IonicContact OD1-CZ 3.58Å; D104-R155 IonicContact OD1-NH1 2.7Å; D104-R155 PolarHBondContact OD1-NH1 3.5Å; D104-R155 IonicContact OD1-NH2 3.58Å; D104-R155 PolarHBondContact OD1-NH2 3.11Å; D104-R155 IonicContact OD2-CZ 3.46Å; D104-R155 IonicContact OD2-NH1 2.74Å; D104-R155 PolarHBondContact OD2-NH1 3.47Å; D104-R155 IonicContact OD2-NH2 3.49Å; T151-R155 WeakPolarHBondContact O-CB 3.35Å; T151-R155 PolarHBondContact O-N 2.98Å; R155-Y157 VanDerWaalsContact C-N 3.29Å; R155-Y157 PolarHBondContact O-N 3.05Å; R155-N158 WeakPolarHBondContact O-CB 3.27Å; R155-N158 PolarHBondContact O-N 3.08Å; R155-N158 VanDerWaalsContact O-N 3.12Å; R155-R159 PolarHBondContact O-N 3.38Å; R155-C232 HydrophobicContact CB-CB 4.37Å; R155-C232 HydrophobicContact CG-CB 4.12Å; R155-D236 VanDerWaalsContact CG-OD2 3.24Å; R155-D236 WeakPolarHBondContact CG-OD2 3.3Å |
| 156 | D | 92.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -39.2 | -175 | -75.5 | 11.6 | 0 | 0 | 0 | 112 | P91 Y115 V152 R159 N160 | P91-D156 HydrophobicContact CG-CB 4.49Å; Y115-D156 HydrophobicContact CE2-CB 4.1Å; Y115-D156 WeakPolarHBondContact CE2-OD2 3.36Å; Y115-D156 WeakPolarHBondContact OH-CB 3.42Å; Y115-D156 PolarHBondContact OH-OD2 3.15Å; V152-D156 VanDerWaalsContact O-CB 3.29Å; V152-D156 WeakPolarHBondContact O-CB 3.36Å; V152-D156 VanDerWaalsContact O-CG 3.25Å; V152-D156 PolarHBondContact O-N 3.41Å; D156-R159 PolarHBondContact O-N 3.39Å; D156-N160 VanDerWaalsContact O-CB 3.31Å; D156-N160 WeakPolarHBondContact O-CB 3.32Å; D156-N160 VanDerWaalsContact O-CG 3.22Å; D156-N160 PolarHBondContact O-N 2.87Å; D156-N160 PolarHBondContact O-ND2 3.23Å; D156-N160 VanDerWaalsContact O-ND2 3.08Å |
| 157 | Y | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.1 | -160 | -102.6 | 0 | 0 | 0 | 111.5 | V86 F89 L90 L140 Y144 P145 Q153 R155 N160 L161 | V86-Y157 HydrophobicContact CG1-CE2 4.4Å; F89-Y157 HydrophobicContact CB-CD2 4.12Å; F89-Y157 HydrophobicContact CB-CE2 4.2Å; L90-Y157 HydrophobicContact CD1-CD2 4.36Å; L90-Y157 HydrophobicContact CD2-CD2 3.52Å; L90-Y157 HydrophobicContact CD2-CE2 4.43Å; L90-Y157 HydrophobicContact CD2-CG 3.99Å; L90-Y157 HydrophobicContact CG-CD2 3.74Å; L90-Y157 HydrophobicContact CG-CE2 4.26Å; L140-Y157 WeakPolarHBondContact CA-OH 3.17Å; L140-Y157 PolarHBondContact O-OH 3.01Å; Y144-Y157 AromaticContact CD2-CD1 3.6Å; Y144-Y157 HydrophobicContact CD2-CD1 3.6Å; Y144-Y157 AromaticContact CD2-CE1 3.56Å; Y144-Y157 HydrophobicContact CD2-CE1 3.56Å; Y144-Y157 AromaticContact CE2-CD1 3.93Å; Y144-Y157 HydrophobicContact CE2-CD1 3.93Å; Y144-Y157 HydrophobicContact CE2-CE1 4.32Å; Y144-Y157 HydrophobicContact CG-CD1 4.17Å; Y144-Y157 HydrophobicContact CG-CE1 4.04Å; P145-Y157 VanDerWaalsContact CD-CG 3.47Å; P145-Y157 HydrophobicContact CG-CD1 4.29Å; P145-Y157 HydrophobicContact CG-CD2 4.36Å; P145-Y157 HydrophobicContact CG-CG 3.91Å; Q153-Y157 VanDerWaalsContact O-CB 3.28Å; Q153-Y157 WeakPolarHBondContact O-CB 3.37Å; Q153-Y157 PolarHBondContact O-N 3.3Å; Q153-Y157 VanDerWaalsContact O-N 3.12Å; R155-Y157 VanDerWaalsContact C-N 3.29Å; R155-Y157 PolarHBondContact O-N 3.05Å; Y157-N160 PolarHBondContact O-N 3.33Å; Y157-L161 HydrophobicContact CD1-CD1 3.75Å; Y157-L161 HydrophobicContact CD1-CG 4.01Å; Y157-L161 HydrophobicContact CE1-CD1 3.7Å; Y157-L161 HydrophobicContact CE1-CD2 4.12Å; Y157-L161 HydrophobicContact CE1-CG 3.95Å; Y157-L161 VanDerWaalsContact O-CG 3.31Å; Y157-L161 WeakPolarHBondContact O-CG 3.45Å; Y157-L161 PolarHBondContact O-N 3.09Å |
| 158 | N | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 174.8 | -82.6 | -75.9 | 0 | 0 | 0 | 111.4 | Y144 I154 R155 N160 L161 L162 V179 | Y144-N158 PolarHBondContact OH-ND2 3.21Å; Y144-N158 PolarHBondContact OH-OD1 3.46Å; I154-N158 PolarHBondContact O-N 2.82Å; I154-N158 VanDerWaalsContact O-N 3.07Å; I154-N158 PolarHBondContact O-ND2 3.31Å; R155-N158 WeakPolarHBondContact O-CB 3.27Å; R155-N158 PolarHBondContact O-N 3.08Å; R155-N158 VanDerWaalsContact O-N 3.12Å; N158-N160 VanDerWaalsContact C-N 3.3Å; N158-N160 PolarHBondContact O-N 3.36Å; N158-L161 WeakPolarHBondContact O-CB 3.24Å; N158-L161 PolarHBondContact O-N 3.44Å; N158-L161 VanDerWaalsContact O-N 3.12Å; N158-L162 VanDerWaalsContact O-CG 3.32Å; N158-L162 WeakPolarHBondContact O-CG 3.43Å; N158-L162 PolarHBondContact O-N 3.5Å; N158-V179 WeakPolarHBondContact OD1-CG1 3.39Å |
| 159 | R | 94.1 | Very high | 92.1 | Very high | 128 Ų | 128 | 31.4 Ų | 31.4 | 48% | 0.483 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.5 | -41.8 | 177.5 | -174.6 | 172.7 | 174.1 | -179.1 | -2.4 | 112.3 | R155 D156 L162 R163 | R155-R159 PolarHBondContact O-N 3.38Å; D156-R159 PolarHBondContact O-N 3.39Å; R159-L162 PolarHBondContact O-N 3.32Å; R159-R163 PolarHBondContact O-N 3.2Å |
| 160 | N | 94.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.2 | -72.8 | -34.7 | 0 | 0 | 0 | 111.5 | F89 Y115 H119 D156 Y157 N158 L162 R163 V164 | F89-N160 HydrophobicContact CB-CB 3.95Å; F89-N160 HydrophobicContact CD1-CB 4.05Å; F89-N160 HydrophobicContact CD2-CB 4.41Å; F89-N160 HydrophobicContact CG-CB 3.92Å; F89-N160 PolarHBondContact O-ND2 3.39Å; Y115-N160 VanDerWaalsContact CD1-ND2 3.33Å; Y115-N160 WeakPolarHBondContact CD1-ND2 3.44Å; Y115-N160 VanDerWaalsContact CE1-ND2 3.33Å; Y115-N160 WeakPolarHBondContact CE1-ND2 3.48Å; H119-N160 PolarHBondContact CE1-O 3.12Å; H119-N160 PolarHBondContact NE2-OD1 3.29Å; D156-N160 VanDerWaalsContact O-CB 3.31Å; D156-N160 WeakPolarHBondContact O-CB 3.32Å; D156-N160 VanDerWaalsContact O-CG 3.22Å; D156-N160 PolarHBondContact O-N 2.87Å; D156-N160 PolarHBondContact O-ND2 3.23Å; D156-N160 VanDerWaalsContact O-ND2 3.08Å; Y157-N160 PolarHBondContact O-N 3.33Å; N158-N160 VanDerWaalsContact C-N 3.3Å; N158-N160 PolarHBondContact O-N 3.36Å; N160-L162 VanDerWaalsContact C-N 3.34Å; N160-L162 PolarHBondContact O-N 3.35Å; N160-R163 PolarHBondContact O-N 2.94Å; N160-V164 VanDerWaalsContact O-CG2 3.27Å; N160-V164 WeakPolarHBondContact O-CG2 3.45Å; N160-V164 PolarHBondContact O-N 3.02Å |
| 161 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 173.5 | -71 | 179.1 | 0 | 0 | 0 | 112.2 | L140 Y144 Y157 N158 R163 V164 S165 L175 L178 V179 | L140-L161 HydrophobicContact CB-CD2 4.12Å; L140-L161 HydrophobicContact CD1-CD2 4.2Å; L140-L161 HydrophobicContact CD2-CD2 3.82Å; L140-L161 HydrophobicContact CG-CD2 4.27Å; Y144-L161 HydrophobicContact CD2-CD1 3.94Å; Y144-L161 HydrophobicContact CE2-CD1 3.9Å; Y157-L161 HydrophobicContact CD1-CD1 3.75Å; Y157-L161 HydrophobicContact CD1-CG 4.01Å; Y157-L161 HydrophobicContact CE1-CD1 3.7Å; Y157-L161 HydrophobicContact CE1-CD2 4.12Å; Y157-L161 HydrophobicContact CE1-CG 3.95Å; Y157-L161 VanDerWaalsContact O-CG 3.31Å; Y157-L161 WeakPolarHBondContact O-CG 3.45Å; Y157-L161 PolarHBondContact O-N 3.09Å; N158-L161 WeakPolarHBondContact O-CB 3.24Å; N158-L161 PolarHBondContact O-N 3.44Å; N158-L161 VanDerWaalsContact O-N 3.12Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.17Å; L161-V164 PolarHBondContact O-N 2.94Å; L161-S165 PolarHBondContact O-N 3.47Å; L161-L175 HydrophobicContact CD2-CD2 4.17Å; L161-L178 HydrophobicContact CD1-CD2 4.08Å; L161-V179 HydrophobicContact CB-CG2 4Å; L161-V179 HydrophobicContact CD1-CG2 3.89Å |
| 162 | L | 95.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 174.3 | -66.6 | 176.3 | 0 | 0 | 0 | 110.6 | N158 R159 N160 S165 E166 L176 L237 Y240 | N158-L162 VanDerWaalsContact O-CG 3.32Å; N158-L162 WeakPolarHBondContact O-CG 3.43Å; N158-L162 PolarHBondContact O-N 3.5Å; R159-L162 PolarHBondContact O-N 3.32Å; N160-L162 VanDerWaalsContact C-N 3.34Å; N160-L162 PolarHBondContact O-N 3.35Å; L162-S165 WeakPolarHBondContact O-CB 3.41Å; L162-S165 PolarHBondContact O-N 3.24Å; L162-S165 PolarHBondContact O-OG 3.15Å; L162-E166 WeakPolarHBondContact O-CG 3.27Å; L162-L176 HydrophobicContact CD2-CD2 3.49Å; L162-L176 VanDerWaalsContact CD2-CD2 3.49Å; L162-L237 HydrophobicContact CD1-CD1 4.3Å; L162-L237 HydrophobicContact CD2-CD1 3.71Å; L162-Y240 HydrophobicContact CB-CD2 3.93Å; L162-Y240 HydrophobicContact CB-CE2 4.32Å; L162-Y240 HydrophobicContact CB-CG 4.38Å; L162-Y240 HydrophobicContact CD1-CG 4.38Å; L162-Y240 HydrophobicContact CD2-CD1 4.24Å; L162-Y240 HydrophobicContact CD2-CD2 4.37Å; L162-Y240 HydrophobicContact CD2-CG 4.16Å |
| 163 | R | 94.4 | Very high | 92.7 | Very high | 80 Ų | 80 | 33 Ų | 33 | 30% | 0.302 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.3 | -174.1 | 165.9 | 173.6 | -169.2 | 6.2 | 112.7 | T116 H119 R159 N160 L161 S165 E166 Y167 | T116-R163 PolarHBondContact OG1-NH1 3.5Å; T116-R163 VanDerWaalsContact OG1-NH1 3.09Å; T116-R163 PolarHBondContact OG1-NH2 3.07Å; T116-R163 VanDerWaalsContact OG1-NH2 3.17Å; H119-R163 VanDerWaalsContact CD2-CD 3.42Å; H119-R163 WeakPolarHBondContact CD2-CD 3.39Å; H119-R163 PolarHBondContact CD2-NE 3.11Å; H119-R163 WeakPolarHBondContact NE2-CD 3.12Å; R159-R163 PolarHBondContact O-N 3.2Å; N160-R163 PolarHBondContact O-N 2.94Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.17Å; R163-S165 PolarHBondContact O-N 2.85Å; R163-E166 WeakPolarHBondContact O-CB 3.22Å; R163-E166 PolarHBondContact O-N 2.84Å; R163-E166 VanDerWaalsContact O-N 3.15Å; R163-Y167 HydrophobicContact CG-CE1 4.4Å; R163-Y167 WeakPolarHBondContact O-CD1 3.28Å; R163-Y167 VanDerWaalsContact O-CE1 3.22Å; R163-Y167 WeakPolarHBondContact O-CE1 3.43Å |
| 164 | V | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -40.8 | 173 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | F89 L140 N160 L161 E166 Y167 L168 L175 | F89-V164 HydrophobicContact CE2-CG2 3.75Å; F89-V164 HydrophobicContact CZ-CG2 3.93Å; L140-V164 HydrophobicContact CD1-CG1 4.42Å; N160-V164 VanDerWaalsContact O-CG2 3.27Å; N160-V164 WeakPolarHBondContact O-CG2 3.45Å; N160-V164 PolarHBondContact O-N 3.02Å; L161-V164 PolarHBondContact O-N 2.94Å; V164-E166 PolarHBondContact O-N 3.18Å; V164-E166 VanDerWaalsContact O-N 3.17Å; V164-Y167 VanDerWaalsContact CA-CE1 3.46Å; V164-Y167 HydrophobicContact CB-CE1 4.48Å; V164-Y167 HydrophobicContact CG1-CE2 4.38Å; V164-Y167 WeakPolarHBondContact CG2-OH 3.31Å; V164-Y167 PolarHBondContact O-N 3.35Å; V164-L168 HydrophobicContact CG1-CD1 3.85Å; V164-L168 HydrophobicContact CG1-CG 4.37Å; V164-L168 PolarHBondContact O-N 2.98Å; V164-L168 VanDerWaalsContact O-N 3.09Å; V164-L175 HydrophobicContact CB-CD1 4.12Å; V164-L175 HydrophobicContact CG1-CD1 3.63Å |
| 165 | S | 93.5 | Very high | 93 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -19.5 | -179.2 | 85.3 | 0 | 0 | 0 | 0 | 114.1 | L161 L162 R163 Y240 | L161-S165 PolarHBondContact O-N 3.47Å; L162-S165 WeakPolarHBondContact O-CB 3.41Å; L162-S165 PolarHBondContact O-N 3.24Å; L162-S165 PolarHBondContact O-OG 3.15Å; R163-S165 PolarHBondContact O-N 2.85Å; S165-Y240 WeakPolarHBondContact OG-CE2 3.38Å; S165-Y240 PolarHBondContact OG-OH 2.78Å |
| 166 | E | 92.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 35.3 Ų | 35.3 | 42% | 0.421 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -78.5 | -41.2 | -178.3 | -57.4 | -164.9 | 134.8 | 0 | 0 | 112.7 | L162 R163 V164 Y240 K244 | L162-E166 WeakPolarHBondContact O-CG 3.27Å; R163-E166 WeakPolarHBondContact O-CB 3.22Å; R163-E166 PolarHBondContact O-N 2.84Å; R163-E166 VanDerWaalsContact O-N 3.15Å; V164-E166 PolarHBondContact O-N 3.18Å; V164-E166 VanDerWaalsContact O-N 3.17Å; E166-Y240 HydrophobicContact CG-CE2 3.86Å; E166-K244 WeakPolarHBondContact OE1-CE 3.39Å; E166-K244 IonicContact OE1-NZ 3.32Å; E166-K244 PolarHBondContact OE1-NZ 3.26Å; E166-K244 VanDerWaalsContact OE1-NZ 3.12Å |
| 167 | Y | 91.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 18% | 0.176 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -97.4 | -14.8 | -177.7 | 60.5 | -99.8 | 0 | 0 | 0 | 113.6 | H119 V122 Q123 R163 V164 P169 | H119-Y167 HydrophobicContact CB-CE1 4.19Å; H119-Y167 AromaticContact ND1-CE1 3.39Å; H119-Y167 WeakPolarHBondContact ND1-CE1 3.25Å; H119-Y167 AromaticContact ND1-CZ 3.6Å; H119-Y167 PolarHBondContact ND1-OH 3.29Å; V122-Y167 HydrophobicContact CG1-CE2 4.09Å; Q123-Y167 HydrophobicContact CG-CD1 4.48Å; Q123-Y167 HydrophobicContact CG-CD2 3.42Å; Q123-Y167 VanDerWaalsContact CG-CD2 3.42Å; Q123-Y167 HydrophobicContact CG-CE2 3.62Å; Q123-Y167 HydrophobicContact CG-CG 3.9Å; Q123-Y167 VanDerWaalsContact NE2-CB 3.28Å; R163-Y167 HydrophobicContact CG-CE1 4.4Å; R163-Y167 WeakPolarHBondContact O-CD1 3.28Å; R163-Y167 VanDerWaalsContact O-CE1 3.22Å; R163-Y167 WeakPolarHBondContact O-CE1 3.43Å; V164-Y167 VanDerWaalsContact CA-CE1 3.46Å; V164-Y167 HydrophobicContact CB-CE1 4.48Å; V164-Y167 HydrophobicContact CG1-CE2 4.38Å; V164-Y167 WeakPolarHBondContact CG2-OH 3.31Å; V164-Y167 PolarHBondContact O-N 3.35Å; Y167-P169 VanDerWaalsContact C-CD 3.42Å; Y167-P169 VanDerWaalsContact O-CD 3.23Å; Y167-P169 WeakPolarHBondContact O-CD 3.47Å |
| 168 | L | 90.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -112.3 | 73.8 | 171.4 | -56.1 | -176.6 | 0 | 0 | 0 | 111 | V122 H126 L136 V164 Y170 M171 | V122-L168 HydrophobicContact CG1-CD1 4.46Å; H126-L168 HydrophobicContact CB-CD2 4.12Å; L136-L168 HydrophobicContact CD2-CD1 3.81Å; V164-L168 HydrophobicContact CG1-CD1 3.85Å; V164-L168 HydrophobicContact CG1-CG 4.37Å; V164-L168 PolarHBondContact O-N 2.98Å; V164-L168 VanDerWaalsContact O-N 3.09Å; L168-Y170 VanDerWaalsContact C-N 3.25Å; L168-Y170 HydrophobicContact CB-CE1 3.91Å; L168-Y170 HydrophobicContact CD2-CE1 3.93Å; L168-Y170 WeakPolarHBondContact CD2-OH 3.31Å; L168-Y170 HydrophobicContact CG-CE1 4.42Å; L168-Y170 PolarHBondContact O-N 3.04Å; L168-M171 HydrophobicContact CD1-SD 4.37Å; L168-M171 PolarHBondContact O-N 3.5Å; L168-M171 VanDerWaalsContact O-N 3.12Å | ||
| 169 | P | 87.4 | Confident | 93.5 | Very high | 93 Ų | 93 | 36.3 Ų | 36.3 | 60% | 0.604 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -63.6 | -27.9 | -171.7 | 24.8 | -35.3 | 0 | 0 | 0 | 113.8 | Y167 M171 K172 | Y167-P169 VanDerWaalsContact C-CD 3.42Å; Y167-P169 VanDerWaalsContact O-CD 3.23Å; Y167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-M171 PolarHBondContact O-N 3.28Å; P169-K172 WeakPolarHBondContact O-CB 3.46Å; P169-K172 PolarHBondContact O-N 3.39Å |
| 170 | Y | 87.5 | Confident | 93.6 | Very high | 99 Ų | 99 | 30.2 Ų | 30.2 | 39% | 0.388 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -72.1 | -15.7 | 179.7 | 61.4 | -90.8 | 0 | 0 | 0 | 113.4 | H126 S133 L168 | H126-Y170 AromaticContact CD2-CZ 3.75Å; H126-Y170 PolarHBondContact CD2-OH 3.45Å; H126-Y170 AromaticContact CE1-CE1 3.7Å; H126-Y170 AromaticContact NE2-CE1 3.42Å; H126-Y170 WeakPolarHBondContact NE2-CE1 3.47Å; H126-Y170 AromaticContact NE2-CZ 3.35Å; H126-Y170 PolarHBondContact NE2-OH 3.35Å; S133-Y170 VanDerWaalsContact CB-CE2 3.49Å; S133-Y170 WeakPolarHBondContact OG-CE2 3.29Å; S133-Y170 VanDerWaalsContact OG-CZ 3.23Å; S133-Y170 PolarHBondContact OG-OH 2.94Å; L168-Y170 VanDerWaalsContact C-N 3.25Å; L168-Y170 HydrophobicContact CB-CE1 3.91Å; L168-Y170 HydrophobicContact CD2-CE1 3.93Å; L168-Y170 WeakPolarHBondContact CD2-OH 3.31Å; L168-Y170 HydrophobicContact CG-CE1 4.42Å; L168-Y170 PolarHBondContact O-N 3.04Å |
| 171 | M | 90.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -104.1 | 3.1 | 173.5 | -83.2 | 170.9 | 61.4 | 0 | 0 | 112.5 | L136 L137 L140 L168 P169 F173 E174 L175 | L136-M171 HydrophobicContact CD2-CE 4.46Å; L136-M171 HydrophobicContact CG-CE 4.44Å; L137-M171 HydrophobicContact CB-CE 3.63Å; L137-M171 HydrophobicContact CD1-CE 3.99Å; L137-M171 HydrophobicContact CG-CE 4.33Å; L140-M171 HydrophobicContact CD1-CE 4.46Å; L168-M171 HydrophobicContact CD1-SD 4.37Å; L168-M171 PolarHBondContact O-N 3.5Å; L168-M171 VanDerWaalsContact O-N 3.12Å; P169-M171 PolarHBondContact O-N 3.28Å; M171-F173 VanDerWaalsContact C-N 3.27Å; M171-F173 PolarHBondContact O-N 3.45Å; M171-E174 WeakPolarHBondContact CA-OE2 3.41Å; M171-E174 PolarHBondContact O-N 3.12Å; M171-L175 HydrophobicContact CB-CD1 3.94Å; M171-L175 HydrophobicContact CB-CG 4.22Å; M171-L175 HydrophobicContact CE-CD1 4.41Å; M171-L175 HydrophobicContact CE-CD2 4.27Å; M171-L175 HydrophobicContact CE-CG 4.39Å; M171-L175 WeakPolarHBondContact O-CB 3.32Å; M171-L175 VanDerWaalsContact O-CG 3.27Å; M171-L175 WeakPolarHBondContact O-CG 3.3Å; M171-L175 PolarHBondContact O-N 3.19Å |
| 172 | K | 92.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | -172.9 | -174.3 | -179.8 | 176.3 | -179.9 | 0 | 111.7 | P169 L176 Y240 L263 | P169-K172 WeakPolarHBondContact O-CB 3.46Å; P169-K172 PolarHBondContact O-N 3.39Å; K172-L176 HydrophobicContact CG-CD1 3.82Å; K172-L176 HydrophobicContact CG-CG 4.38Å; K172-L176 WeakPolarHBondContact O-CB 3.39Å; K172-L176 VanDerWaalsContact O-CG 3.31Å; K172-L176 WeakPolarHBondContact O-CG 3.42Å; K172-L176 PolarHBondContact O-N 3.39Å; K172-Y240 WeakPolarHBondContact CE-OH 3.29Å; K172-L263 HydrophobicContact CD-CD2 3.99Å; K172-L263 HydrophobicContact CG-CD2 3.85Å |
| 173 | F | 94.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 35.5 Ų | 35.5 | 25% | 0.25 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 177.9 | 179 | -101.2 | 0 | 0 | 0 | 111.5 | M171 S177 L263 I267 | M171-F173 VanDerWaalsContact C-N 3.27Å; M171-F173 PolarHBondContact O-N 3.45Å; F173-S177 WeakPolarHBondContact O-CB 3.49Å; F173-S177 PolarHBondContact O-N 2.87Å; F173-S177 PolarHBondContact O-OG 3.2Å; F173-L263 HydrophobicContact CB-CD1 3.85Å; F173-L263 HydrophobicContact CD2-CD1 3.63Å; F173-L263 HydrophobicContact CD2-CG 4.4Å; F173-L263 HydrophobicContact CG-CD1 4.24Å; F173-I267 HydrophobicContact CD2-CG1 4.1Å; F173-I267 HydrophobicContact CE2-CG1 3.78Å |
| 174 | E | 94.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 31.7 Ų | 31.7 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.5 | -38.5 | -176 | -62.6 | 83.5 | 173 | 0 | 0 | 112.2 | L137 M171 S177 L178 | L137-E174 HydrophobicContact CD1-CB 3.74Å; L137-E174 HydrophobicContact CD2-CB 3.58Å; L137-E174 HydrophobicContact CD2-CG 3.74Å; L137-E174 HydrophobicContact CG-CB 4.31Å; M171-E174 WeakPolarHBondContact CA-OE2 3.41Å; M171-E174 PolarHBondContact O-N 3.12Å; E174-S177 PolarHBondContact O-N 2.86Å; E174-L178 WeakPolarHBondContact O-CB 3.36Å; E174-L178 PolarHBondContact O-N 3.46Å |
| 175 | L | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -46.2 | 177.9 | -68.9 | 170 | 0 | 0 | 0 | 111.8 | L137 L140 L161 V164 M171 S177 L178 V179 | L137-L175 HydrophobicContact CD1-CD2 4.08Å; L137-L175 HydrophobicContact CD1-CG 4.5Å; L140-L175 HydrophobicContact CD1-CD2 3.63Å; L161-L175 HydrophobicContact CD2-CD2 4.17Å; V164-L175 HydrophobicContact CB-CD1 4.12Å; V164-L175 HydrophobicContact CG1-CD1 3.63Å; M171-L175 HydrophobicContact CB-CD1 3.94Å; M171-L175 HydrophobicContact CB-CG 4.22Å; M171-L175 HydrophobicContact CE-CD1 4.41Å; M171-L175 HydrophobicContact CE-CD2 4.27Å; M171-L175 HydrophobicContact CE-CG 4.39Å; M171-L175 WeakPolarHBondContact O-CB 3.32Å; M171-L175 VanDerWaalsContact O-CG 3.27Å; M171-L175 WeakPolarHBondContact O-CG 3.3Å; M171-L175 PolarHBondContact O-N 3.19Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-L178 WeakPolarHBondContact O-CB 3.2Å; L175-L178 PolarHBondContact O-N 3.17Å; L175-V179 WeakPolarHBondContact O-CG2 3.49Å; L175-V179 PolarHBondContact O-N 3.32Å |
| 176 | L | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.1 | -34 | 177 | -65.9 | 179.3 | 0 | 0 | 0 | 111.4 | L162 K172 L178 V179 I180 Y240 L263 F264 I267 | L162-L176 HydrophobicContact CD2-CD2 3.49Å; L162-L176 VanDerWaalsContact CD2-CD2 3.49Å; K172-L176 HydrophobicContact CG-CD1 3.82Å; K172-L176 HydrophobicContact CG-CG 4.38Å; K172-L176 WeakPolarHBondContact O-CB 3.39Å; K172-L176 VanDerWaalsContact O-CG 3.31Å; K172-L176 WeakPolarHBondContact O-CG 3.42Å; K172-L176 PolarHBondContact O-N 3.39Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.09Å; L176-V179 PolarHBondContact O-N 3.35Å; L176-I180 WeakPolarHBondContact O-CB 3.42Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.3Å; L176-I180 PolarHBondContact O-N 3.33Å; L176-Y240 HydrophobicContact CD1-CE1 4.35Å; L176-Y240 HydrophobicContact CD2-CE1 4.23Å; L176-L263 HydrophobicContact CD1-CD2 3.59Å; L176-F264 HydrophobicContact CD1-CE2 3.91Å; L176-F264 HydrophobicContact CD1-CZ 4.27Å; L176-I267 HydrophobicContact CB-CD1 3.76Å |
| 177 | S | 96.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 170.3 | -68 | 0 | 0 | 0 | 0 | 111.6 | F173 E174 L175 I180 E181 I271 | F173-S177 WeakPolarHBondContact O-CB 3.49Å; F173-S177 PolarHBondContact O-N 2.87Å; F173-S177 PolarHBondContact O-OG 3.2Å; E174-S177 PolarHBondContact O-N 2.86Å; L175-S177 VanDerWaalsContact C-N 3.34Å; S177-I180 PolarHBondContact O-N 2.86Å; S177-E181 VanDerWaalsContact O-CB 3.32Å; S177-E181 WeakPolarHBondContact O-CB 3.39Å; S177-E181 PolarHBondContact O-N 2.99Å; S177-I271 VanDerWaalsContact O-CD1 3.24Å; S177-I271 WeakPolarHBondContact O-CD1 3.46Å |
| 178 | L | 95.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.8 | 177.8 | 66 | 0 | 0 | 0 | 111.8 | Y144 L161 E174 L175 L176 I180 E181 E182 | Y144-L178 HydrophobicContact CD2-CD2 4.36Å; Y144-L178 HydrophobicContact CD2-CG 4.32Å; L161-L178 HydrophobicContact CD1-CD2 4.08Å; E174-L178 WeakPolarHBondContact O-CB 3.36Å; E174-L178 PolarHBondContact O-N 3.46Å; L175-L178 WeakPolarHBondContact O-CB 3.2Å; L175-L178 PolarHBondContact O-N 3.17Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.09Å; L178-I180 PolarHBondContact O-N 3.05Å; L178-E181 PolarHBondContact O-N 2.77Å; L178-E182 HydrophobicContact CD1-CG 4.24Å; L178-E182 WeakPolarHBondContact O-CG 3.08Å; L178-E182 PolarHBondContact O-N 3.12Å |
| 179 | V | 96.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -50 | 176.9 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | N158 L161 L175 L176 E181 E182 L183 | N158-V179 WeakPolarHBondContact OD1-CG1 3.39Å; L161-V179 HydrophobicContact CB-CG2 4Å; L161-V179 HydrophobicContact CD1-CG2 3.89Å; L175-V179 WeakPolarHBondContact O-CG2 3.49Å; L175-V179 PolarHBondContact O-N 3.32Å; L176-V179 PolarHBondContact O-N 3.35Å; V179-E181 PolarHBondContact O-N 3.28Å; V179-E182 PolarHBondContact O-N 3.36Å; V179-L183 HydrophobicContact CG1-CD1 3.83Å; V179-L183 HydrophobicContact CG1-CG 4.38Å; V179-L183 WeakPolarHBondContact O-CB 3.39Å; V179-L183 VanDerWaalsContact O-CG 3.25Å; V179-L183 WeakPolarHBondContact O-CG 3.46Å; V179-L183 PolarHBondContact O-N 3.08Å |
| 180 | I | 96.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | -180 | -66.7 | -52.3 | 0 | 0 | 0 | 112.2 | L176 S177 L178 S184 L237 F264 I267 I271 V272 V281 I284 W285 | L176-I180 WeakPolarHBondContact O-CB 3.42Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.3Å; L176-I180 PolarHBondContact O-N 3.33Å; S177-I180 PolarHBondContact O-N 2.86Å; L178-I180 PolarHBondContact O-N 3.05Å; I180-S184 VanDerWaalsContact O-CB 3.27Å; I180-S184 WeakPolarHBondContact O-CB 3.31Å; I180-S184 PolarHBondContact O-N 3.4Å; I180-S184 PolarHBondContact O-OG 2.85Å; I180-L237 HydrophobicContact CD1-CD2 3.85Å; I180-F264 HydrophobicContact CD1-CE1 4.25Å; I180-F264 HydrophobicContact CG1-CE1 4.46Å; I180-I267 HydrophobicContact CB-CG2 3.89Å; I180-I267 HydrophobicContact CG1-CG2 3.95Å; I180-I267 HydrophobicContact CG2-CG2 3.81Å; I180-I271 HydrophobicContact CG2-CB 4.47Å; I180-I271 HydrophobicContact CG2-CG2 4.15Å; I180-V272 HydrophobicContact CG2-CG2 3.61Å; I180-V281 HydrophobicContact CG2-CG1 4.41Å; I180-I284 HydrophobicContact CD1-CD1 3.56Å; I180-W285 HydrophobicContact CG2-CH2 4.02Å |
| 181 | E | 95.2 | Very high | 92.9 | Very high | 80 Ų | 80 | 26 Ų | 26 | 37% | 0.374 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 177.3 | -169.8 | -171.7 | 152.7 | 0 | 0 | 111.4 | S177 L178 V179 S184 K185 I271 | S177-E181 VanDerWaalsContact O-CB 3.32Å; S177-E181 WeakPolarHBondContact O-CB 3.39Å; S177-E181 PolarHBondContact O-N 2.99Å; L178-E181 PolarHBondContact O-N 2.77Å; V179-E181 PolarHBondContact O-N 3.28Å; E181-S184 PolarHBondContact O-N 3.01Å; E181-K185 WeakPolarHBondContact O-CG 3.28Å; E181-K185 PolarHBondContact O-N 3.5Å; E181-K185 VanDerWaalsContact OE1-CE 3.29Å; E181-K185 WeakPolarHBondContact OE1-CE 3.23Å; E181-K185 IonicContact OE1-NZ 2.97Å; E181-K185 PolarHBondContact OE1-NZ 3.38Å; E181-I271 HydrophobicContact CB-CD1 4.33Å; E181-I271 HydrophobicContact CB-CG2 4.06Å; E181-I271 HydrophobicContact CG-CG2 4.34Å |
| 182 | E | 94.7 | Very high | 92.5 | Very high | 43 Ų | 43 | 31 Ų | 31 | 20% | 0.201 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.8 | -37.7 | -179.2 | -67 | -59.8 | 138.3 | 0 | 0 | 112.4 | Y144 L178 V179 S184 K185 L186 | Y144-E182 HydrophobicContact CD1-CB 4.22Å; Y144-E182 HydrophobicContact CD1-CG 3.71Å; Y144-E182 HydrophobicContact CD2-CG 3.95Å; Y144-E182 HydrophobicContact CE1-CB 3.51Å; Y144-E182 HydrophobicContact CE1-CG 3.54Å; Y144-E182 HydrophobicContact CE2-CB 3.9Å; Y144-E182 HydrophobicContact CE2-CG 3.8Å; Y144-E182 HydrophobicContact CG-CG 3.92Å; Y144-E182 VanDerWaalsContact OH-CB 3.28Å; Y144-E182 WeakPolarHBondContact OH-CB 3.42Å; L178-E182 HydrophobicContact CD1-CG 4.24Å; L178-E182 WeakPolarHBondContact O-CG 3.08Å; L178-E182 PolarHBondContact O-N 3.12Å; V179-E182 PolarHBondContact O-N 3.36Å; E182-S184 VanDerWaalsContact C-N 3.33Å; E182-K185 PolarHBondContact O-N 3.13Å; E182-K185 IonicContact OE1-NZ 2.85Å; E182-K185 PolarHBondContact OE1-NZ 2.87Å; E182-L186 WeakPolarHBondContact O-CB 3.49Å; E182-L186 PolarHBondContact O-N 3.12Å |
| 183 | L | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 170.6 | -68.2 | 177.4 | 0 | 0 | 0 | 111.8 | V179 L186 D187 L230 C233 L234 L237 V281 | V179-L183 HydrophobicContact CG1-CD1 3.83Å; V179-L183 HydrophobicContact CG1-CG 4.38Å; V179-L183 WeakPolarHBondContact O-CB 3.39Å; V179-L183 VanDerWaalsContact O-CG 3.25Å; V179-L183 WeakPolarHBondContact O-CG 3.46Å; V179-L183 PolarHBondContact O-N 3.08Å; L183-L186 PolarHBondContact O-N 2.91Å; L183-D187 VanDerWaalsContact O-CB 3.29Å; L183-D187 WeakPolarHBondContact O-CB 3.31Å; L183-D187 PolarHBondContact O-N 2.85Å; L183-L230 HydrophobicContact CD2-CD2 4.49Å; L183-C233 HydrophobicContact CD2-CB 3.45Å; L183-C233 VanDerWaalsContact CD2-CB 3.45Å; L183-L234 HydrophobicContact CD1-CD2 4.31Å; L183-L237 HydrophobicContact CD1-CD2 4.34Å; L183-V281 HydrophobicContact CB-CG2 3.88Å |
| 184 | S | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | I180 E181 E182 D187 T188 | I180-S184 VanDerWaalsContact O-CB 3.27Å; I180-S184 WeakPolarHBondContact O-CB 3.31Å; I180-S184 PolarHBondContact O-N 3.4Å; I180-S184 PolarHBondContact O-OG 2.85Å; E181-S184 PolarHBondContact O-N 3.01Å; E182-S184 VanDerWaalsContact C-N 3.33Å; S184-D187 PolarHBondContact O-N 3.26Å; S184-T188 WeakPolarHBondContact O-CG2 3.39Å; S184-T188 PolarHBondContact O-N 3.36Å; S184-T188 PolarHBondContact O-OG1 3.17Å |
| 185 | K | 92.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 28.4 Ų | 28.4 | 37% | 0.37 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 173 | -71.3 | 168.8 | -170.7 | 162 | 0 | 110.7 | E181 E182 D187 T188 L189 | E181-K185 WeakPolarHBondContact O-CG 3.28Å; E181-K185 PolarHBondContact O-N 3.5Å; E181-K185 VanDerWaalsContact OE1-CE 3.29Å; E181-K185 WeakPolarHBondContact OE1-CE 3.23Å; E181-K185 IonicContact OE1-NZ 2.97Å; E181-K185 PolarHBondContact OE1-NZ 3.38Å; E182-K185 PolarHBondContact O-N 3.13Å; E182-K185 IonicContact OE1-NZ 2.85Å; E182-K185 PolarHBondContact OE1-NZ 2.87Å; K185-D187 PolarHBondContact O-N 2.8Å; K185-T188 PolarHBondContact O-N 3.07Å; K185-T188 PolarHBondContact O-OG1 2.91Å; K185-L189 WeakPolarHBondContact O-CG 3.34Å; K185-L189 PolarHBondContact O-N 3.41Å; K185-L189 VanDerWaalsContact O-N 3.12Å |
| 186 | L | 91.9 | Very high | 89 | Confident | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.9 | -171.8 | 66.8 | 0 | 0 | 0 | 112.4 | F147 E182 L183 L189 Y190 F226 K229 L230 | F147-L186 HydrophobicContact CB-CD1 4.34Å; E182-L186 WeakPolarHBondContact O-CB 3.49Å; E182-L186 PolarHBondContact O-N 3.12Å; L183-L186 PolarHBondContact O-N 2.91Å; L186-L189 WeakPolarHBondContact O-CB 3.48Å; L186-L189 PolarHBondContact O-N 3.29Å; L186-Y190 PolarHBondContact O-N 3.32Å; L186-F226 HydrophobicContact CD1-CB 4.33Å; L186-F226 HydrophobicContact CD1-CD1 3.5Å; L186-F226 HydrophobicContact CD1-CE1 4.16Å; L186-F226 HydrophobicContact CD1-CG 4.19Å; L186-K229 HydrophobicContact CD2-CB 3.68Å; L186-L230 HydrophobicContact CB-CD2 4.04Å; L186-L230 HydrophobicContact CB-CG 4.4Å; L186-L230 HydrophobicContact CD2-CD2 3.81Å; L186-L230 HydrophobicContact CD2-CG 3.65Å; L186-L230 HydrophobicContact CG-CD1 4.24Å; L186-L230 HydrophobicContact CG-CD2 3.93Å; L186-L230 HydrophobicContact CG-CG 3.76Å |
| 187 | D | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -44 | 176.7 | -172.7 | 0.3 | 0 | 0 | 0 | 111.6 | L183 S184 K185 L189 Y190 G191 L230 C278 S279 C280 V281 | L183-D187 VanDerWaalsContact O-CB 3.29Å; L183-D187 WeakPolarHBondContact O-CB 3.31Å; L183-D187 PolarHBondContact O-N 2.85Å; S184-D187 PolarHBondContact O-N 3.26Å; K185-D187 PolarHBondContact O-N 2.8Å; D187-L189 VanDerWaalsContact C-N 3.3Å; D187-L189 PolarHBondContact O-N 2.9Å; D187-Y190 PolarHBondContact O-N 2.84Å; D187-G191 PolarHBondContact O-N 3.33Å; D187-L230 HydrophobicContact CB-CD1 4.42Å; D187-L230 HydrophobicContact CB-CD2 4.08Å; D187-C278 WeakPolarHBondContact OD2-CA 3.42Å; D187-C278 WeakPolarHBondContact OD2-CB 3.41Å; D187-S279 VanDerWaalsContact CG-N 3.26Å; D187-S279 PolarHBondContact OD1-N 3.24Å; D187-S279 PolarHBondContact OD1-OG 2.97Å; D187-S279 PolarHBondContact OD2-N 2.92Å; D187-C280 PolarHBondContact OD1-N 3.29Å; D187-C280 PolarHBondContact OD2-N 3.03Å; D187-V281 HydrophobicContact CB-CG2 3.9Å; D187-V281 WeakPolarHBondContact OD2-CB 3.29Å; D187-V281 PolarHBondContact OD2-N 2.97Å |
| 188 | T | 89.4 | Confident | 86.3 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -31.7 | 175.1 | 62 | 0 | 0 | 0 | 0 | 113.4 | S184 K185 R192 I275 F581 | S184-T188 WeakPolarHBondContact O-CG2 3.39Å; S184-T188 PolarHBondContact O-N 3.36Å; S184-T188 PolarHBondContact O-OG1 3.17Å; K185-T188 PolarHBondContact O-N 3.07Å; K185-T188 PolarHBondContact O-OG1 2.91Å; T188-R192 WeakPolarHBondContact O-CB 3.29Å; T188-R192 PolarHBondContact O-N 3.19Å; T188-I275 HydrophobicContact CG2-CG2 3.59Å; T188-F581 VanDerWaalsContact O-CE1 3.3Å; T188-F581 WeakPolarHBondContact O-CE1 3.44Å |
| 189 | L | 89 | Confident | 85 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.5 | -45.2 | 174.4 | -70.2 | 173.9 | 0 | 0 | 0 | 111.1 | F147 K185 L186 D187 R192 E193 F226 | F147-L189 HydrophobicContact CD1-CD1 4.16Å; F147-L189 HydrophobicContact CD2-CD1 3.96Å; F147-L189 HydrophobicContact CE1-CD1 4.34Å; F147-L189 HydrophobicContact CE2-CD1 4.16Å; F147-L189 HydrophobicContact CG-CD1 3.97Å; F147-L189 HydrophobicContact CZ-CD1 4.35Å; K185-L189 WeakPolarHBondContact O-CG 3.34Å; K185-L189 PolarHBondContact O-N 3.41Å; K185-L189 VanDerWaalsContact O-N 3.12Å; L186-L189 WeakPolarHBondContact O-CB 3.48Å; L186-L189 PolarHBondContact O-N 3.29Å; D187-L189 VanDerWaalsContact C-N 3.3Å; D187-L189 PolarHBondContact O-N 2.9Å; L189-R192 PolarHBondContact O-N 2.74Å; L189-E193 PolarHBondContact O-N 2.7Å; L189-F226 HydrophobicContact CB-CD2 4.4Å; L189-F226 HydrophobicContact CB-CE2 4.31Å |
| 190 | Y | 86.7 | Confident | 83.5 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 9% | 0.09 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.2 | -52 | 174 | 167.5 | -108.2 | 0 | 0 | 0 | 111.5 | L186 D187 R192 E193 S194 F226 L230 P506 | L186-Y190 PolarHBondContact O-N 3.32Å; D187-Y190 PolarHBondContact O-N 2.84Å; Y190-R192 VanDerWaalsContact C-N 3.25Å; Y190-R192 PolarHBondContact O-N 3.12Å; Y190-E193 PolarHBondContact O-N 3.01Å; Y190-E193 VanDerWaalsContact O-N 3.12Å; Y190-S194 WeakPolarHBondContact O-CB 2.98Å; Y190-S194 PolarHBondContact O-N 3.03Å; Y190-F226 HydrophobicContact CD2-CB 4.42Å; Y190-L230 HydrophobicContact CD1-CD1 4.15Å; Y190-L230 HydrophobicContact CG-CD1 3.9Å; Y190-P506 HydrophobicContact CE1-CB 3.75Å; Y190-P506 HydrophobicContact CE1-CG 4.29Å; Y190-P506 WeakPolarHBondContact OH-CB 3.42Å |
| 191 | G | 82.4 | Confident | 81.6 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -35.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D187 Y195 | D187-G191 PolarHBondContact O-N 3.33Å; G191-Y195 VanDerWaalsContact O-CB 3.29Å; G191-Y195 WeakPolarHBondContact O-CB 3.34Å; G191-Y195 PolarHBondContact O-N 2.87Å |
| 192 | R | 82.4 | Confident | 79.5 | Confident | 110 Ų | 110 | 56.2 Ų | 56.2 | 42% | 0.415 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 175.4 | -175.8 | -178.9 | -178 | -174.4 | 1.4 | 112.5 | T188 L189 Y190 K196 F581 | T188-R192 WeakPolarHBondContact O-CB 3.29Å; T188-R192 PolarHBondContact O-N 3.19Å; L189-R192 PolarHBondContact O-N 2.74Å; Y190-R192 VanDerWaalsContact C-N 3.25Å; Y190-R192 PolarHBondContact O-N 3.12Å; R192-K196 WeakPolarHBondContact O-CG 3.07Å; R192-K196 PolarHBondContact O-N 3.39Å; R192-F581 HydrophobicContact CB-CD1 4.05Å; R192-F581 HydrophobicContact CB-CE1 4.44Å; R192-F581 HydrophobicContact CB-CG 4.25Å; R192-F581 HydrophobicContact CG-CB 4.48Å |
| 193 | E | 82 | Confident | 77.1 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.6 | -44.9 | -176.6 | -155.1 | 57.9 | -138.7 | 0 | 0 | 111.5 | L189 Y190 Y195 K196 E197 E222 A223 | L189-E193 PolarHBondContact O-N 2.7Å; Y190-E193 PolarHBondContact O-N 3.01Å; Y190-E193 VanDerWaalsContact O-N 3.12Å; E193-Y195 VanDerWaalsContact C-N 3.26Å; E193-Y195 PolarHBondContact O-N 3.46Å; E193-K196 WeakPolarHBondContact O-CA 3.38Å; E193-K196 WeakPolarHBondContact O-CB 3.24Å; E193-K196 PolarHBondContact O-N 3.04Å; E193-K196 IonicContact OE1-NZ 2.68Å; E193-K196 IonicContact OE2-NZ 2.81Å; E193-K196 PolarHBondContact OE2-NZ 3.03Å; E193-E197 PolarHBondContact O-N 3.35Å; E193-E222 HydrophobicContact CG-CB 4.14Å; E193-A223 HydrophobicContact CB-CB 4.04Å; E193-A223 HydrophobicContact CG-CB 4.12Å |
| 194 | S | 76.7 | Confident | 74.4 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.2 | -42 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | Y190 K196 E197 L198 | Y190-S194 WeakPolarHBondContact O-CB 2.98Å; Y190-S194 PolarHBondContact O-N 3.03Å; S194-K196 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.19Å; S194-E197 PolarHBondContact O-N 3.33Å; S194-L198 PolarHBondContact O-N 3.36Å |
| 195 | Y | 70.6 | Confident | 72.1 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 175 | -177.6 | -97 | 0 | 0 | 0 | 113.4 | G191 E193 R199 | G191-Y195 VanDerWaalsContact O-CB 3.29Å; G191-Y195 WeakPolarHBondContact O-CB 3.34Å; G191-Y195 PolarHBondContact O-N 2.87Å; E193-Y195 VanDerWaalsContact C-N 3.26Å; E193-Y195 PolarHBondContact O-N 3.46Å; Y195-R199 WeakPolarHBondContact O-CB 3.17Å; Y195-R199 PolarHBondContact O-N 3.5Å; Y195-R199 VanDerWaalsContact O-N 3.13Å |
| 196 | K | 75.1 | Confident | 69.9 | Low | 75 Ų | 75 | 72 Ų | 72 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 176.5 | -69.6 | 172.3 | -168.3 | 162.8 | 0 | 111.4 | R192 E193 S194 R199 N200 | R192-K196 WeakPolarHBondContact O-CG 3.07Å; R192-K196 PolarHBondContact O-N 3.39Å; E193-K196 WeakPolarHBondContact O-CA 3.38Å; E193-K196 WeakPolarHBondContact O-CB 3.24Å; E193-K196 PolarHBondContact O-N 3.04Å; E193-K196 IonicContact OE1-NZ 2.68Å; E193-K196 IonicContact OE2-NZ 2.81Å; E193-K196 PolarHBondContact OE2-NZ 3.03Å; S194-K196 VanDerWaalsContact C-N 3.33Å; S194-K196 PolarHBondContact O-N 3.19Å; K196-R199 PolarHBondContact O-N 2.88Å; K196-N200 WeakPolarHBondContact O-CB 3.35Å; K196-N200 VanDerWaalsContact O-CG 3.24Å; K196-N200 PolarHBondContact O-N 2.99Å; K196-N200 PolarHBondContact O-ND2 3.3Å |
| 197 | E | 68.9 | Low | 68.1 | Low | 49 Ų | 49 | 78.4 Ų | 78.4 | 23% | 0.229 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 177.6 | -71.5 | 173.3 | 174.5 | 0 | 0 | 111 | E193 S194 R199 N200 G201 V220 A223 | E193-E197 PolarHBondContact O-N 3.35Å; S194-E197 PolarHBondContact O-N 3.33Å; E197-R199 VanDerWaalsContact C-N 3.31Å; E197-R199 PolarHBondContact O-N 3.4Å; E197-N200 PolarHBondContact O-N 3.29Å; E197-G201 PolarHBondContact O-N 3.12Å; E197-V220 VanDerWaalsContact OE1-CA 3.29Å; E197-V220 WeakPolarHBondContact OE1-CA 3.24Å; E197-A223 WeakPolarHBondContact OE1-CB 3.47Å; E197-A223 WeakPolarHBondContact OE2-CB 3.24Å |
| 198 | L | 66.9 | Low | 66.2 | Low | 76 Ų | 76 | 82.2 Ų | 82.2 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 175.5 | -86.1 | 148.5 | 0 | 0 | 0 | 112.8 | S194 K202 | S194-L198 PolarHBondContact O-N 3.36Å; L198-K202 WeakPolarHBondContact O-CG 3.33Å; L198-K202 PolarHBondContact O-N 2.98Å |
| 199 | R | 67.5 | Low | 64.2 | Low | 180 Ų | 180 | 88.4 Ų | 88.4 | 68% | 0.679 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.2 | -39.9 | 177.4 | -174.3 | 179.2 | 174.9 | -162.2 | -3.8 | 111.7 | Y195 K196 E197 | Y195-R199 WeakPolarHBondContact O-CB 3.17Å; Y195-R199 PolarHBondContact O-N 3.5Å; Y195-R199 VanDerWaalsContact O-N 3.13Å; K196-R199 PolarHBondContact O-N 2.88Å; E197-R199 VanDerWaalsContact C-N 3.31Å; E197-R199 PolarHBondContact O-N 3.4Å |
| 200 | N | 65.4 | Low | 62.7 | Low | 85 Ų | 85 | 92 Ų | 92 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -75.4 | -36.3 | 178.6 | -65.9 | -13.5 | 0 | 0 | 0 | 111.5 | K196 E197 K202 A203 | K196-N200 WeakPolarHBondContact O-CB 3.35Å; K196-N200 VanDerWaalsContact O-CG 3.24Å; K196-N200 PolarHBondContact O-N 2.99Å; K196-N200 PolarHBondContact O-ND2 3.3Å; E197-N200 PolarHBondContact O-N 3.29Å; N200-K202 PolarHBondContact O-N 2.94Å; N200-A203 WeakPolarHBondContact O-CA 3.23Å; N200-A203 VanDerWaalsContact O-CB 3.3Å; N200-A203 WeakPolarHBondContact O-CB 3.49Å; N200-A203 PolarHBondContact O-N 3.46Å |
| 201 | G | 56.6 | Low | 61.3 | Low | 63 Ų | 63 | 98 Ų | 98 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.3 | -24.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E197 | E197-G201 PolarHBondContact O-N 3.12Å |
| 202 | K | 51.3 | Low | 60.2 | Low | 166 Ų | 166 | 102 Ų | 102 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -13.8 | 169.8 | -72.4 | -178.7 | -178.8 | -178 | 0 | 113.6 | L198 N200 G204 | L198-K202 WeakPolarHBondContact O-CG 3.33Å; L198-K202 PolarHBondContact O-N 2.98Å; N200-K202 PolarHBondContact O-N 2.94Å; K202-G204 VanDerWaalsContact C-N 3.31Å; K202-G204 PolarHBondContact O-N 2.9Å |
| 203 | A | 43.4 | Very low | 58.7 | Low | 64 Ų | 64 | 100.7 Ų | 100.7 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -77.3 | 90.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | N200 | N200-A203 WeakPolarHBondContact O-CA 3.23Å; N200-A203 VanDerWaalsContact O-CB 3.3Å; N200-A203 WeakPolarHBondContact O-CB 3.49Å; N200-A203 PolarHBondContact O-N 3.46Å |
| 204 | G | 38.3 | Very low | 57.4 | Low | 36 Ų | 36 | 105.9 Ų | 105.9 | 37% | 0.371 | 56% | 0.555 | S | S | . | * | trans | 19.2 | 117.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | K202 F206 D207 | K202-G204 VanDerWaalsContact C-N 3.31Å; K202-G204 PolarHBondContact O-N 2.9Å; G204-F206 PolarHBondContact O-N 3.21Å; G204-D207 PolarHBondContact O-N 3.16Å | ||
| 205 | I | 46.2 | Very low | 56.4 | Low | 162 Ų | 162 | 106.7 Ų | 106.7 | 83% | 0.831 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.5 | -12.2 | 151.1 | -77.4 | 165.1 | 0 | 0 | 0 | 113.8 | ||
| 206 | F | 45.1 | Very low | 55.4 | Low | 197 Ų | 197 | 105.7 Ų | 105.7 | 86% | 0.864 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -3 | -179.5 | -81.2 | -88.3 | 0 | 0 | 0 | 116 | G204 | G204-F206 PolarHBondContact O-N 3.21Š|
| 207 | D | 54.1 | Low | 54.2 | Low | 145 Ų | 145 | 110 Ų | 110 | 78% | 0.775 | 57% | 0.574 | S | S | * | * | trans | -113.6 | 12.6 | -174.9 | -111 | 0.4 | 0 | 0 | 0 | 114.4 | G204 E209 | G204-D207 PolarHBondContact O-N 3.16Å; D207-E209 PolarHBondContact O-N 2.94Å | ||
| 208 | L | 51.9 | Low | 53.7 | Low | 80 Ų | 80 | 110.8 Ų | 110.8 | 42% | 0.419 | 59% | 0.585 | S | S | . | * | trans | -91.1 | 92.5 | -179.3 | -83.9 | 158.5 | 0 | 0 | 0 | 111.8 | D212 M213 I216 | L208-D212 HydrophobicContact CD2-CB 4.07Å; L208-M213 HydrophobicContact CD2-SD 4.43Å; L208-I216 HydrophobicContact CD1-CD1 4.4Å; L208-I216 HydrophobicContact CD2-CD1 3.3Å; L208-I216 HydrophobicContact CG-CD1 4.43Å | ||
| 209 | E | 48.3 | Very low | 53.1 | Low | 166 Ų | 166 | 111.3 Ų | 111.3 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | trans | -59.3 | 135.8 | 156.6 | -66.9 | -176.5 | 172.6 | 0 | 0 | 108.6 | D207 D211 D212 | D207-E209 PolarHBondContact O-N 2.94Å; E209-D211 PolarHBondContact O-N 2.66Å; E209-D212 PolarHBondContact O-N 3.35Å | ||
| 210 | T | 56.6 | Low | 52.5 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 77% | 0.767 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -11.4 | -166.3 | 41.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 211 | D | 57.3 | Low | 52.8 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 80% | 0.797 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -12.2 | -177 | -69.1 | -10 | 0 | 0 | 0 | 113.8 | E209 | E209-D211 PolarHBondContact O-N 2.66Š|
| 212 | D | 59 | Low | 53.9 | Low | 92 Ų | 92 | 104.7 Ų | 104.7 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -89.7 | -4.1 | -179.5 | -95.3 | -28.4 | 0 | 0 | 0 | 114.7 | L208 E209 D214 S215 I216 | L208-D212 HydrophobicContact CD2-CB 4.07Å; E209-D212 PolarHBondContact O-N 3.35Å; D212-D214 PolarHBondContact O-N 2.98Å; D212-S215 PolarHBondContact O-N 2.98Å; D212-I216 HydrophobicContact CB-CD1 4.5Å; D212-I216 WeakPolarHBondContact O-CG1 3.39Å; D212-I216 PolarHBondContact O-N 3.2Å; D212-I216 VanDerWaalsContact O-N 3.11Å |
| 213 | M | 51.2 | Low | 55.3 | Low | 84 Ų | 84 | 97 Ų | 97 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | -175.5 | -71.4 | -63.7 | -67.5 | 0 | 0 | 113.5 | L208 I216 R217 | L208-M213 HydrophobicContact CD2-SD 4.43Å; M213-I216 PolarHBondContact O-N 3.31Å; M213-R217 WeakPolarHBondContact O-CG 3.15Å; M213-R217 PolarHBondContact O-N 3.37Å |
| 214 | D | 55.3 | Low | 57 | Low | 122 Ų | 122 | 98.5 Ų | 98.5 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.3 | -35.6 | 179.8 | -74.5 | -21.2 | 0 | 0 | 0 | 112.3 | D212 I216 R217 S218 | D212-D214 PolarHBondContact O-N 2.98Å; D214-I216 VanDerWaalsContact C-N 3.33Å; D214-R217 PolarHBondContact O-N 2.67Å; D214-S218 PolarHBondContact O-N 3.07Å; D214-S218 VanDerWaalsContact O-N 3.08Å |
| 215 | S | 54.8 | Low | 59.2 | Low | 44 Ų | 44 | 100.8 Ų | 100.8 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 172.2 | 152.4 | 0 | 0 | 0 | 0 | 111.2 | D212 S218 K219 | D212-S215 PolarHBondContact O-N 2.98Å; S215-S218 PolarHBondContact O-OG 2.89Å; S215-K219 PolarHBondContact O-N 3.19Å; S215-K219 PolarHBondContact OG-NZ 2.84Å |
| 216 | I | 50.4 | Low | 61.1 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.7 | -46.5 | 178.7 | -68.3 | 167 | 0 | 0 | 0 | 110.8 | L208 D212 M213 D214 S218 K219 V220 | L208-I216 HydrophobicContact CD1-CD1 4.4Å; L208-I216 HydrophobicContact CD2-CD1 3.3Å; L208-I216 HydrophobicContact CG-CD1 4.43Å; D212-I216 HydrophobicContact CB-CD1 4.5Å; D212-I216 WeakPolarHBondContact O-CG1 3.39Å; D212-I216 PolarHBondContact O-N 3.2Å; D212-I216 VanDerWaalsContact O-N 3.11Å; M213-I216 PolarHBondContact O-N 3.31Å; D214-I216 VanDerWaalsContact C-N 3.33Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 3.1Å; I216-K219 PolarHBondContact O-N 2.93Å; I216-V220 HydrophobicContact CG2-CG2 4.1Å; I216-V220 WeakPolarHBondContact O-CG2 3.31Å; I216-V220 PolarHBondContact O-N 3.29Å |
| 217 | R | 50.7 | Low | 63.1 | Low | 166 Ų | 166 | 84.6 Ų | 84.6 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -55.4 | -43.4 | 176.2 | -80.7 | 178.4 | 173 | 176.2 | -1.6 | 112.4 | M213 D214 K219 V220 T221 | M213-R217 WeakPolarHBondContact O-CG 3.15Å; M213-R217 PolarHBondContact O-N 3.37Å; D214-R217 PolarHBondContact O-N 2.67Å; R217-K219 VanDerWaalsContact C-N 3.25Å; R217-K219 PolarHBondContact O-N 3.36Å; R217-V220 PolarHBondContact O-N 2.88Å; R217-T221 WeakPolarHBondContact O-CG2 3.34Å; R217-T221 PolarHBondContact O-N 2.59Å; R217-T221 VanDerWaalsContact O-N 3.16Å; R217-T221 PolarHBondContact O-OG1 2.68Å |
| 218 | S | 56.7 | Low | 64.6 | Low | 64 Ų | 64 | 81.8 Ų | 81.8 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -24.8 | 178.9 | 73.3 | 0 | 0 | 0 | 0 | 114.5 | D214 S215 I216 T221 | D214-S218 PolarHBondContact O-N 3.07Å; D214-S218 VanDerWaalsContact O-N 3.08Å; S215-S218 PolarHBondContact O-OG 2.89Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 3.1Å; S218-T221 WeakPolarHBondContact CA-OG1 3.13Å; S218-T221 PolarHBondContact O-OG1 2.86Å |
| 219 | K | 54.6 | Low | 66.4 | Low | 87 Ų | 87 | 78 Ų | 78 | 38% | 0.378 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -87.3 | -41.3 | 178.4 | -70.2 | 170.9 | -173.8 | 152.7 | 0 | 111.5 | S215 I216 R217 T221 E222 | S215-K219 PolarHBondContact O-N 3.19Å; S215-K219 PolarHBondContact OG-NZ 2.84Å; I216-K219 PolarHBondContact O-N 2.93Å; R217-K219 VanDerWaalsContact C-N 3.25Å; R217-K219 PolarHBondContact O-N 3.36Å; K219-T221 PolarHBondContact O-N 3.01Å; K219-E222 PolarHBondContact O-N 3.21Å |
| 220 | V | 55.5 | Low | 68.4 | Low | 56 Ų | 56 | 70.1 Ų | 70.1 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.2 | -34.4 | 173.2 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | E197 I216 R217 E222 E224 | E197-V220 VanDerWaalsContact OE1-CA 3.29Å; E197-V220 WeakPolarHBondContact OE1-CA 3.24Å; I216-V220 HydrophobicContact CG2-CG2 4.1Å; I216-V220 WeakPolarHBondContact O-CG2 3.31Å; I216-V220 PolarHBondContact O-N 3.29Å; R217-V220 PolarHBondContact O-N 2.88Å; V220-E222 PolarHBondContact O-N 3.45Å; V220-E224 WeakPolarHBondContact O-CG 3.47Å |
| 221 | T | 71.9 | Confident | 70 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.2 | -27.7 | 175.4 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | R217 S218 K219 E225 | R217-T221 WeakPolarHBondContact O-CG2 3.34Å; R217-T221 PolarHBondContact O-N 2.59Å; R217-T221 VanDerWaalsContact O-N 3.16Å; R217-T221 PolarHBondContact O-OG1 2.68Å; S218-T221 WeakPolarHBondContact CA-OG1 3.13Å; S218-T221 PolarHBondContact O-OG1 2.86Å; K219-T221 PolarHBondContact O-N 3.01Å; T221-E225 WeakPolarHBondContact O-CB 3.5Å; T221-E225 VanDerWaalsContact O-CG 3.24Å; T221-E225 WeakPolarHBondContact O-CG 3.36Å; T221-E225 PolarHBondContact O-N 2.8Å |
| 222 | E | 79.5 | Confident | 71.5 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.5 | -42.9 | -176.7 | -71.9 | -167.9 | 176.1 | 0 | 0 | 112.4 | E193 K219 V220 E225 F226 | E193-E222 HydrophobicContact CG-CB 4.14Å; K219-E222 PolarHBondContact O-N 3.21Å; V220-E222 PolarHBondContact O-N 3.45Å; E222-E225 PolarHBondContact O-N 3Å; E222-F226 HydrophobicContact CB-CE2 4.28Å; E222-F226 WeakPolarHBondContact O-CD2 3.44Å; E222-F226 VanDerWaalsContact O-CG 3.31Å; E222-F226 WeakPolarHBondContact O-CG 3.48Å; E222-F226 PolarHBondContact O-N 3.41Å |
| 223 | A | 79.9 | Confident | 73.1 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E193 E197 F226 S227 | E193-A223 HydrophobicContact CB-CB 4.04Å; E193-A223 HydrophobicContact CG-CB 4.12Å; E197-A223 WeakPolarHBondContact OE1-CB 3.47Å; E197-A223 WeakPolarHBondContact OE2-CB 3.24Å; A223-F226 PolarHBondContact O-N 2.85Å; A223-S227 VanDerWaalsContact O-CB 3.31Å; A223-S227 WeakPolarHBondContact O-CB 3.46Å; A223-S227 PolarHBondContact O-N 2.83Å; A223-S227 PolarHBondContact O-OG 2.84Å |
| 224 | E | 80.7 | Confident | 75.1 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 172.5 | -71.8 | 179.4 | 177.8 | 0 | 0 | 112 | V220 S227 Q228 | V220-E224 WeakPolarHBondContact O-CG 3.47Å; E224-S227 WeakPolarHBondContact CA-OG 3.41Å; E224-S227 PolarHBondContact O-N 3.01Å; E224-S227 PolarHBondContact O-OG 2.82Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 VanDerWaalsContact O-CG 3.28Å; E224-Q228 WeakPolarHBondContact O-CG 3.48Å; E224-Q228 PolarHBondContact O-N 2.94Å |
| 225 | E | 83.3 | Confident | 76.8 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.4 | -82.9 | -176.2 | -155.9 | 0 | 0 | 112.1 | T221 E222 K229 | T221-E225 WeakPolarHBondContact O-CB 3.5Å; T221-E225 VanDerWaalsContact O-CG 3.24Å; T221-E225 WeakPolarHBondContact O-CG 3.36Å; T221-E225 PolarHBondContact O-N 2.8Å; E222-E225 PolarHBondContact O-N 3Å; E225-K229 WeakPolarHBondContact O-CB 3.35Å; E225-K229 WeakPolarHBondContact O-CD 3.48Å; E225-K229 WeakPolarHBondContact O-CG 3.24Å; E225-K229 PolarHBondContact O-N 2.89Å; E225-K229 IonicContact OE2-NZ 3.67Å; E225-K229 PolarHBondContact OE2-NZ 2.75Å |
| 226 | F | 86.5 | Confident | 78.5 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 179 | -63.9 | -39.8 | 0 | 0 | 0 | 112.2 | F147 L186 L189 Y190 E222 A223 K229 L230 | F147-F226 AromaticContact CD2-CE1 3.95Å; F147-F226 HydrophobicContact CD2-CE1 3.95Å; F147-F226 HydrophobicContact CD2-CZ 4.17Å; F147-F226 HydrophobicContact CE2-CZ 4.47Å; L186-F226 HydrophobicContact CD1-CB 4.33Å; L186-F226 HydrophobicContact CD1-CD1 3.5Å; L186-F226 HydrophobicContact CD1-CE1 4.16Å; L186-F226 HydrophobicContact CD1-CG 4.19Å; L189-F226 HydrophobicContact CB-CD2 4.4Å; L189-F226 HydrophobicContact CB-CE2 4.31Å; Y190-F226 HydrophobicContact CD2-CB 4.42Å; E222-F226 HydrophobicContact CB-CE2 4.28Å; E222-F226 WeakPolarHBondContact O-CD2 3.44Å; E222-F226 VanDerWaalsContact O-CG 3.31Å; E222-F226 WeakPolarHBondContact O-CG 3.48Å; E222-F226 PolarHBondContact O-N 3.41Å; A223-F226 PolarHBondContact O-N 2.85Å; F226-K229 HydrophobicContact CD1-CD 4.35Å; F226-K229 PolarHBondContact O-N 3.25Å; F226-L230 WeakPolarHBondContact O-CB 3.35Å; F226-L230 WeakPolarHBondContact O-CD1 3.29Å; F226-L230 WeakPolarHBondContact O-CG 3.43Å; F226-L230 PolarHBondContact O-N 2.84Å |
| 227 | S | 86.3 | Confident | 80.6 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.6 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | A223 E224 L230 D231 | A223-S227 VanDerWaalsContact O-CB 3.31Å; A223-S227 WeakPolarHBondContact O-CB 3.46Å; A223-S227 PolarHBondContact O-N 2.83Å; A223-S227 PolarHBondContact O-OG 2.84Å; E224-S227 WeakPolarHBondContact CA-OG 3.41Å; E224-S227 PolarHBondContact O-N 3.01Å; E224-S227 PolarHBondContact O-OG 2.82Å; S227-L230 PolarHBondContact O-N 3.34Å; S227-D231 WeakPolarHBondContact O-CB 3.27Å; S227-D231 PolarHBondContact O-N 3.34Å |
| 228 | Q | 86 | Confident | 82.6 | Confident | 87 Ų | 87 | 34.6 Ų | 34.6 | 41% | 0.407 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 174.1 | -71.8 | 175.2 | 11.8 | 0 | 0 | 112.2 | E224 L230 D231 C232 | E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 VanDerWaalsContact O-CG 3.28Å; E224-Q228 WeakPolarHBondContact O-CG 3.48Å; E224-Q228 PolarHBondContact O-N 2.94Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-L230 PolarHBondContact O-N 2.93Å; Q228-D231 PolarHBondContact O-N 3.45Å; Q228-C232 PolarHBondContact O-N 3.31Å; Q228-C232 PolarHBondContact O-SG 3.49Å; Q228-C232 VanDerWaalsContact O-SG 3.34Å |
| 229 | K | 90.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.2 | -72.8 | 162.8 | -177.1 | 168 | 0 | 111.9 | F147 R149 T151 I154 L186 E225 F226 C233 | F147-K229 PolarHBondContact O-NZ 3.45Å; R149-K229 VanDerWaalsContact O-CE 3.23Å; R149-K229 WeakPolarHBondContact O-CE 3.44Å; R149-K229 PolarHBondContact O-NZ 3.21Å; T151-K229 HydrophobicContact CG2-CB 4.42Å; T151-K229 HydrophobicContact CG2-CG 3.82Å; T151-K229 WeakPolarHBondContact OG1-CG 3.29Å; I154-K229 HydrophobicContact CD1-CD 3.68Å; I154-K229 HydrophobicContact CD1-CG 4.15Å; L186-K229 HydrophobicContact CD2-CB 3.68Å; E225-K229 WeakPolarHBondContact O-CB 3.35Å; E225-K229 WeakPolarHBondContact O-CD 3.48Å; E225-K229 WeakPolarHBondContact O-CG 3.24Å; E225-K229 PolarHBondContact O-N 2.89Å; E225-K229 IonicContact OE2-NZ 3.67Å; E225-K229 PolarHBondContact OE2-NZ 2.75Å; F226-K229 HydrophobicContact CD1-CD 4.35Å; F226-K229 PolarHBondContact O-N 3.25Å; K229-C233 PolarHBondContact O-N 3.46Å; K229-C233 PolarHBondContact O-SG 2.87Å |
| 230 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 176.5 | -77.3 | 160.8 | 0 | 0 | 0 | 111.4 | L183 L186 D187 Y190 F226 S227 Q228 C232 C233 L234 L507 | L183-L230 HydrophobicContact CD2-CD2 4.49Å; L186-L230 HydrophobicContact CB-CD2 4.04Å; L186-L230 HydrophobicContact CB-CG 4.4Å; L186-L230 HydrophobicContact CD2-CD2 3.81Å; L186-L230 HydrophobicContact CD2-CG 3.65Å; L186-L230 HydrophobicContact CG-CD1 4.24Å; L186-L230 HydrophobicContact CG-CD2 3.93Å; L186-L230 HydrophobicContact CG-CG 3.76Å; D187-L230 HydrophobicContact CB-CD1 4.42Å; D187-L230 HydrophobicContact CB-CD2 4.08Å; Y190-L230 HydrophobicContact CD1-CD1 4.15Å; Y190-L230 HydrophobicContact CG-CD1 3.9Å; F226-L230 WeakPolarHBondContact O-CB 3.35Å; F226-L230 WeakPolarHBondContact O-CD1 3.29Å; F226-L230 WeakPolarHBondContact O-CG 3.43Å; F226-L230 PolarHBondContact O-N 2.84Å; S227-L230 PolarHBondContact O-N 3.34Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-L230 PolarHBondContact O-N 2.93Å; L230-C232 PolarHBondContact O-N 3.24Å; L230-C233 PolarHBondContact O-N 3.03Å; L230-L234 HydrophobicContact CB-CD1 4.49Å; L230-L234 VanDerWaalsContact O-CB 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.31Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.46Å; L230-L234 PolarHBondContact O-N 3.32Å; L230-L507 HydrophobicContact CB-CD1 4.1Å |
| 231 | D | 90 | Very high | 87.8 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | -177.3 | -168.4 | 38.2 | 0 | 0 | 0 | 111.6 | S227 Q228 C233 S235 L507 S526 S527 | S227-D231 WeakPolarHBondContact O-CB 3.27Å; S227-D231 PolarHBondContact O-N 3.34Å; Q228-D231 PolarHBondContact O-N 3.45Å; D231-C233 PolarHBondContact O-N 3.19Å; D231-S235 VanDerWaalsContact O-CB 3.24Å; D231-S235 WeakPolarHBondContact O-CB 3.34Å; D231-S235 PolarHBondContact O-N 3.34Å; D231-L507 HydrophobicContact CB-CD1 4.13Å; D231-S526 PolarHBondContact OD1-OG 3.39Å; D231-S526 PolarHBondContact OD2-OG 3.25Å; D231-S527 WeakPolarHBondContact OD1-CB 3.48Å; D231-S527 PolarHBondContact OD1-N 3.22Å; D231-S527 PolarHBondContact OD1-OG 2.72Å |
| 232 | C | 88.8 | Confident | 88.7 | Confident | 23 Ų | 23 | 28.9 Ų | 28.9 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 177.7 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | R155 Q228 L230 S235 D236 | R155-C232 HydrophobicContact CB-CB 4.37Å; R155-C232 HydrophobicContact CG-CB 4.12Å; Q228-C232 PolarHBondContact O-N 3.31Å; Q228-C232 PolarHBondContact O-SG 3.49Å; Q228-C232 VanDerWaalsContact O-SG 3.34Å; L230-C232 PolarHBondContact O-N 3.24Å; C232-S235 PolarHBondContact O-N 3.24Å; C232-D236 PolarHBondContact O-N 3.13Å |
| 233 | C | 92.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -36.8 | -176.5 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | L183 K229 L230 D231 L237 | L183-C233 HydrophobicContact CD2-CB 3.45Å; L183-C233 VanDerWaalsContact CD2-CB 3.45Å; K229-C233 PolarHBondContact O-N 3.46Å; K229-C233 PolarHBondContact O-SG 2.87Å; L230-C233 PolarHBondContact O-N 3.03Å; D231-C233 PolarHBondContact O-N 3.19Å; C233-L237 WeakPolarHBondContact O-CB 3.48Å; C233-L237 PolarHBondContact O-N 3.26Å |
| 234 | L | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -40.3 | 175.2 | -72.5 | 172 | 0 | 0 | 0 | 110.8 | L183 L230 L237 F238 C280 I284 Y505 L507 | L183-L234 HydrophobicContact CD1-CD2 4.31Å; L230-L234 HydrophobicContact CB-CD1 4.49Å; L230-L234 VanDerWaalsContact O-CB 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.31Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.46Å; L230-L234 PolarHBondContact O-N 3.32Å; L234-L237 PolarHBondContact O-N 2.86Å; L234-F238 HydrophobicContact CB-CD2 4.42Å; L234-F238 HydrophobicContact CB-CE2 4.08Å; L234-F238 WeakPolarHBondContact O-CD2 3.37Å; L234-F238 WeakPolarHBondContact O-CG 3.43Å; L234-F238 PolarHBondContact O-N 3.06Å; L234-C280 HydrophobicContact CD1-CB 3.7Å; L234-I284 HydrophobicContact CD2-CD1 3.87Å; L234-I284 HydrophobicContact CD2-CG1 4.05Å; L234-Y505 WeakPolarHBondContact CD1-OH 3.47Å; L234-L507 HydrophobicContact CD1-CD1 4.17Å |
| 235 | S | 90.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | D231 C232 L237 F238 V239 C525 | D231-S235 VanDerWaalsContact O-CB 3.24Å; D231-S235 WeakPolarHBondContact O-CB 3.34Å; D231-S235 PolarHBondContact O-N 3.34Å; C232-S235 PolarHBondContact O-N 3.24Å; S235-L237 VanDerWaalsContact C-N 3.25Å; S235-L237 PolarHBondContact O-N 3.38Å; S235-F238 PolarHBondContact O-N 3.28Å; S235-F238 VanDerWaalsContact O-N 3.13Å; S235-V239 WeakPolarHBondContact O-CG2 3.32Å; S235-V239 PolarHBondContact O-N 2.91Å; S235-C525 VanDerWaalsContact CB-O 3.26Å; S235-C525 WeakPolarHBondContact CB-O 3.39Å; S235-C525 PolarHBondContact OG-O 3.2Å |
| 236 | D | 91.1 | Very high | 90 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -37.5 | 176.3 | -78.4 | -20.2 | 0 | 0 | 0 | 111.9 | R155 C232 Y240 | R155-D236 VanDerWaalsContact CG-OD2 3.24Å; R155-D236 WeakPolarHBondContact CG-OD2 3.3Å; C232-D236 PolarHBondContact O-N 3.13Å; D236-Y240 WeakPolarHBondContact O-CB 3.13Å; D236-Y240 PolarHBondContact O-N 3.33Å |
| 237 | L | 94.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 176 | -175.7 | 64.8 | 0 | 0 | 0 | 112.3 | L162 I180 L183 C233 L234 S235 Y240 L241 F264 I284 | L162-L237 HydrophobicContact CD1-CD1 4.3Å; L162-L237 HydrophobicContact CD2-CD1 3.71Å; I180-L237 HydrophobicContact CD1-CD2 3.85Å; L183-L237 HydrophobicContact CD1-CD2 4.34Å; C233-L237 WeakPolarHBondContact O-CB 3.48Å; C233-L237 PolarHBondContact O-N 3.26Å; L234-L237 PolarHBondContact O-N 2.86Å; S235-L237 VanDerWaalsContact C-N 3.25Å; S235-L237 PolarHBondContact O-N 3.38Å; L237-Y240 HydrophobicContact CD1-CD1 4.31Å; L237-Y240 WeakPolarHBondContact O-CB 3.43Å; L237-Y240 PolarHBondContact O-N 3.18Å; L237-L241 WeakPolarHBondContact O-CG 3.38Å; L237-L241 PolarHBondContact O-N 2.91Å; L237-F264 HydrophobicContact CD1-CZ 4.31Å; L237-I284 HydrophobicContact CD2-CD1 3.43Å; L237-I284 VanDerWaalsContact CD2-CD1 3.43Å; L237-I284 HydrophobicContact CD2-CG1 3.99Å |
| 238 | F | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.3 | -72.6 | -56.1 | 0 | 0 | 0 | 111.6 | L234 S235 Y240 L241 Q242 I284 Y287 F530 I531 | L234-F238 HydrophobicContact CB-CD2 4.42Å; L234-F238 HydrophobicContact CB-CE2 4.08Å; L234-F238 WeakPolarHBondContact O-CD2 3.37Å; L234-F238 WeakPolarHBondContact O-CG 3.43Å; L234-F238 PolarHBondContact O-N 3.06Å; S235-F238 PolarHBondContact O-N 3.28Å; S235-F238 VanDerWaalsContact O-N 3.13Å; F238-Y240 VanDerWaalsContact C-N 3.34Å; F238-Y240 PolarHBondContact O-N 2.77Å; F238-L241 HydrophobicContact CD1-CD1 4.48Å; F238-L241 PolarHBondContact O-N 3.38Å; F238-Q242 WeakPolarHBondContact O-CB 3.37Å; F238-Q242 PolarHBondContact O-N 3Å; F238-I284 HydrophobicContact CE1-CG1 4.38Å; F238-I284 HydrophobicContact CZ-CG1 4.28Å; F238-Y287 AromaticContact CD1-CD1 3.86Å; F238-Y287 HydrophobicContact CD1-CD1 3.86Å; F238-Y287 HydrophobicContact CD1-CD2 4.06Å; F238-Y287 HydrophobicContact CD1-CE1 4.33Å; F238-Y287 AromaticContact CD1-CG 3.71Å; F238-Y287 HydrophobicContact CD1-CG 3.71Å; F238-Y287 HydrophobicContact CE1-CD1 4.14Å; F238-Y287 HydrophobicContact CE1-CD2 4.28Å; F238-Y287 AromaticContact CE1-CG 3.73Å; F238-Y287 HydrophobicContact CE1-CG 3.73Å; F238-F530 HydrophobicContact CB-CB 4.29Å; F238-F530 HydrophobicContact CB-CD1 3.84Å; F238-F530 HydrophobicContact CB-CD2 3.7Å; F238-F530 HydrophobicContact CB-CE1 4.01Å; F238-F530 HydrophobicContact CB-CE2 3.88Å; F238-F530 HydrophobicContact CB-CG 3.67Å; F238-F530 HydrophobicContact CB-CZ 4.03Å; F238-F530 HydrophobicContact CD1-CB 4.38Å; F238-F530 HydrophobicContact CD2-CB 4.09Å; F238-F530 AromaticContact CD2-CD2 3.94Å; F238-F530 HydrophobicContact CD2-CD2 3.94Å; F238-F530 HydrophobicContact CD2-CG 4.15Å; F238-F530 HydrophobicContact CG-CB 4.01Å; F238-F530 HydrophobicContact CG-CD1 4.46Å; F238-F530 HydrophobicContact CG-CD2 4.05Å; F238-F530 AromaticContact CG-CG 3.93Å; F238-F530 HydrophobicContact CG-CG 3.93Å; F238-I531 HydrophobicContact CE2-CD1 3.87Å; F238-I531 HydrophobicContact CE2-CG1 4.38Å; F238-I531 HydrophobicContact CZ-CD1 3.83Å; F238-I531 HydrophobicContact CZ-CG1 4.17Å |
| 239 | V | 91.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 34.4 Ų | 34.4 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 172.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | S235 L241 Q242 N243 F530 | S235-V239 WeakPolarHBondContact O-CG2 3.32Å; S235-V239 PolarHBondContact O-N 2.91Å; V239-L241 PolarHBondContact O-N 2.85Å; V239-Q242 PolarHBondContact O-N 3.47Å; V239-N243 WeakPolarHBondContact O-CB 3.43Å; V239-N243 VanDerWaalsContact O-CG 3.23Å; V239-N243 PolarHBondContact O-N 3.37Å; V239-N243 PolarHBondContact O-ND2 2.97Å; V239-F530 HydrophobicContact CG2-CZ 3.85Å |
| 240 | Y | 92.9 | Very high | 88.6 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.8 | 169.9 | -90.9 | 0 | 0 | 0 | 111.9 | L162 S165 E166 K172 L176 D236 L237 F238 Q242 N243 K244 | L162-Y240 HydrophobicContact CB-CD2 3.93Å; L162-Y240 HydrophobicContact CB-CE2 4.32Å; L162-Y240 HydrophobicContact CB-CG 4.38Å; L162-Y240 HydrophobicContact CD1-CG 4.38Å; L162-Y240 HydrophobicContact CD2-CD1 4.24Å; L162-Y240 HydrophobicContact CD2-CD2 4.37Å; L162-Y240 HydrophobicContact CD2-CG 4.16Å; S165-Y240 WeakPolarHBondContact OG-CE2 3.38Å; S165-Y240 PolarHBondContact OG-OH 2.78Å; E166-Y240 HydrophobicContact CG-CE2 3.86Å; K172-Y240 WeakPolarHBondContact CE-OH 3.29Å; L176-Y240 HydrophobicContact CD1-CE1 4.35Å; L176-Y240 HydrophobicContact CD2-CE1 4.23Å; D236-Y240 WeakPolarHBondContact O-CB 3.13Å; D236-Y240 PolarHBondContact O-N 3.33Å; L237-Y240 HydrophobicContact CD1-CD1 4.31Å; L237-Y240 WeakPolarHBondContact O-CB 3.43Å; L237-Y240 PolarHBondContact O-N 3.18Å; F238-Y240 VanDerWaalsContact C-N 3.34Å; F238-Y240 PolarHBondContact O-N 2.77Å; Y240-Q242 VanDerWaalsContact C-N 3.33Å; Y240-Q242 PolarHBondContact O-N 3.21Å; Y240-N243 PolarHBondContact O-N 3.03Å; Y240-K244 HydrophobicContact CE1-CG 4.21Å; Y240-K244 HydrophobicContact CE2-CG 4.29Å; Y240-K244 WeakPolarHBondContact O-CG 3.36Å; Y240-K244 PolarHBondContact O-N 3.33Å; Y240-K244 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.3 | -71.6 | 176.4 | 0 | 0 | 0 | 111.7 | L237 F238 V239 K244 C245 T260 F264 I284 Y287 L288 | L237-L241 WeakPolarHBondContact O-CG 3.38Å; L237-L241 PolarHBondContact O-N 2.91Å; F238-L241 HydrophobicContact CD1-CD1 4.48Å; F238-L241 PolarHBondContact O-N 3.38Å; V239-L241 PolarHBondContact O-N 2.85Å; L241-K244 PolarHBondContact O-N 3.02Å; L241-C245 VanDerWaalsContact O-CB 3.26Å; L241-C245 WeakPolarHBondContact O-CB 3.49Å; L241-C245 PolarHBondContact O-N 3.44Å; L241-C245 PolarHBondContact O-SG 3.49Å; L241-T260 HydrophobicContact CD2-CG2 3.6Å; L241-F264 HydrophobicContact CD2-CD2 4.34Å; L241-F264 HydrophobicContact CD2-CE2 3.62Å; L241-F264 HydrophobicContact CD2-CZ 3.72Å; L241-F264 HydrophobicContact CG-CZ 4.47Å; L241-I284 HydrophobicContact CD1-CG2 3.94Å; L241-Y287 HydrophobicContact CB-CE1 3.9Å; L241-Y287 HydrophobicContact CD1-CD1 4.07Å; L241-Y287 HydrophobicContact CD1-CE1 4.29Å; L241-L288 HydrophobicContact CD1-CD2 4.14Å; L241-L288 HydrophobicContact CD1-CG 4.44Å; L241-L288 HydrophobicContact CD2-CD2 4.15Å |
| 242 | Q | 89.8 | Confident | 87.7 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 177.2 | -171.5 | 177.5 | 10.8 | 0 | 0 | 110.9 | F238 V239 Y240 K244 C245 F246 | F238-Q242 WeakPolarHBondContact O-CB 3.37Å; F238-Q242 PolarHBondContact O-N 3Å; V239-Q242 PolarHBondContact O-N 3.47Å; Y240-Q242 VanDerWaalsContact C-N 3.33Å; Y240-Q242 PolarHBondContact O-N 3.21Å; Q242-K244 PolarHBondContact O-N 3.47Å; Q242-C245 PolarHBondContact O-N 3.42Å; Q242-F246 HydrophobicContact CB-CD2 4.37Å; Q242-F246 HydrophobicContact CG-CD2 3.76Å; Q242-F246 HydrophobicContact CG-CE2 4.3Å; Q242-F246 WeakPolarHBondContact O-CB 3.38Å; Q242-F246 WeakPolarHBondContact O-CD2 3.38Å; Q242-F246 PolarHBondContact O-N 3.1Å |
| 243 | N | 90.2 | Very high | 87.5 | Confident | 110 Ų | 110 | 41.8 Ų | 41.8 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.4 | -25.7 | 179.7 | -68.6 | -20.7 | 0 | 0 | 0 | 113.5 | V239 Y240 | V239-N243 WeakPolarHBondContact O-CB 3.43Å; V239-N243 VanDerWaalsContact O-CG 3.23Å; V239-N243 PolarHBondContact O-N 3.37Å; V239-N243 PolarHBondContact O-ND2 2.97Å; Y240-N243 PolarHBondContact O-N 3.03Å |
| 244 | K | 88.3 | Confident | 87.1 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -85.9 | -37.1 | 175.1 | -68.4 | -64.2 | 175.6 | -161.5 | 0 | 113.2 | E166 Y240 L241 Q242 E256 | E166-K244 WeakPolarHBondContact OE1-CE 3.39Å; E166-K244 IonicContact OE1-NZ 3.32Å; E166-K244 PolarHBondContact OE1-NZ 3.26Å; E166-K244 VanDerWaalsContact OE1-NZ 3.12Å; Y240-K244 HydrophobicContact CE1-CG 4.21Å; Y240-K244 HydrophobicContact CE2-CG 4.29Å; Y240-K244 WeakPolarHBondContact O-CG 3.36Å; Y240-K244 PolarHBondContact O-N 3.33Å; Y240-K244 VanDerWaalsContact O-N 3.09Å; L241-K244 PolarHBondContact O-N 3.02Å; Q242-K244 PolarHBondContact O-N 3.47Å; K244-E256 VanDerWaalsContact O-CB 3.26Å; K244-E256 WeakPolarHBondContact O-CB 3.28Å; K244-E256 VanDerWaalsContact O-OE2 3.13Å |
| 245 | C | 86.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -89 | -22.1 | -173.7 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | L241 Q242 I252 C253 A257 L291 | L241-C245 VanDerWaalsContact O-CB 3.26Å; L241-C245 WeakPolarHBondContact O-CB 3.49Å; L241-C245 PolarHBondContact O-N 3.44Å; L241-C245 PolarHBondContact O-SG 3.49Å; Q242-C245 PolarHBondContact O-N 3.42Å; C245-I252 CarbonylContact O-C 3.53Å; C245-I252 WeakPolarHBondContact O-CA 3.4Å; C245-C253 PolarHBondContact O-N 3Å; C245-A257 HydrophobicContact CB-CB 4.27Å; C245-L291 HydrophobicContact CB-CD1 4.04Å; C245-L291 HydrophobicContact CB-CD2 4.25Å |
| 246 | F | 85.9 | Confident | 86.6 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 18% | 0.18 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 142.1 | -177.8 | -61.1 | -88.6 | 0 | 0 | 0 | 111.8 | Q242 G250 N251 I252 L291 | Q242-F246 HydrophobicContact CB-CD2 4.37Å; Q242-F246 HydrophobicContact CG-CD2 3.76Å; Q242-F246 HydrophobicContact CG-CE2 4.3Å; Q242-F246 WeakPolarHBondContact O-CB 3.38Å; Q242-F246 WeakPolarHBondContact O-CD2 3.38Å; Q242-F246 PolarHBondContact O-N 3.1Å; F246-G250 WeakPolarHBondContact CD1-O 3.33Å; F246-N251 CarbonylContact C-O 3.29Å; F246-N251 VanDerWaalsContact CA-O 3.3Å; F246-N251 WeakPolarHBondContact CA-O 3.39Å; F246-I252 HydrophobicContact CD1-CG1 4.01Å; F246-I252 HydrophobicContact CE1-CG1 3.64Å; F246-I252 HydrophobicContact CZ-CG1 4.41Å; F246-L291 HydrophobicContact CE2-CD2 3.45Å; F246-L291 VanDerWaalsContact CE2-CD2 3.45Å; F246-L291 HydrophobicContact CZ-CD2 3.65Å |
| 247 | D | 82.1 | Confident | 86.4 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | trans | -73.6 | 166.4 | 167.3 | 72.7 | 10.1 | 0 | 0 | 0 | 110.6 | A249 G250 N251 | D247-A249 PolarHBondContact O-N 3.39Å; D247-A249 VanDerWaalsContact OD1-C 3.23Å; D247-A249 VanDerWaalsContact OD1-CA 3.29Å; D247-A249 WeakPolarHBondContact OD1-CA 3.1Å; D247-A249 WeakPolarHBondContact OD1-CB 3.32Å; D247-A249 PolarHBondContact OD1-N 3.4Å; D247-G250 PolarHBondContact O-N 3.12Å; D247-G250 PolarHBondContact OD1-N 3.29Å; D247-N251 PolarHBondContact N-O 3.39Å; D247-N251 PolarHBondContact OD1-N 2.96Å; D247-N251 WeakPolarHBondContact OD2-CB 3.39Å; D247-N251 PolarHBondContact OD2-ND2 3.25Å | ||
| 248 | P | 80.9 | Confident | 86.1 | Confident | 150 Ų | 150 | 60.9 Ų | 60.9 | 97% | 0.974 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.7 | 176.2 | -25.2 | 35 | 0 | 0 | 0 | 114.6 | ||
| 249 | A | 78.7 | Confident | 86 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D247 | D247-A249 PolarHBondContact O-N 3.39Å; D247-A249 VanDerWaalsContact OD1-C 3.23Å; D247-A249 VanDerWaalsContact OD1-CA 3.29Å; D247-A249 WeakPolarHBondContact OD1-CA 3.1Å; D247-A249 WeakPolarHBondContact OD1-CB 3.32Å; D247-A249 PolarHBondContact OD1-N 3.4Å |
| 250 | G | 78.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 84.3 | 8.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | F246 D247 | F246-G250 WeakPolarHBondContact CD1-O 3.33Å; D247-G250 PolarHBondContact O-N 3.12Å; D247-G250 PolarHBondContact OD1-N 3.29Å |
| 251 | N | 79.9 | Confident | 86.1 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | trans | -85.8 | 149.9 | 172.4 | -47.2 | -66.3 | 0 | 0 | 0 | 110.8 | F246 D247 C253 | F246-N251 CarbonylContact C-O 3.29Å; F246-N251 VanDerWaalsContact CA-O 3.3Å; F246-N251 WeakPolarHBondContact CA-O 3.39Å; D247-N251 PolarHBondContact N-O 3.39Å; D247-N251 PolarHBondContact OD1-N 2.96Å; D247-N251 WeakPolarHBondContact OD2-CB 3.39Å; D247-N251 PolarHBondContact OD2-ND2 3.25Å; N251-C253 PolarHBondContact O-N 3.11Å | ||
| 252 | I | 81.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 124.6 | -179.4 | -57.7 | 165.3 | 0 | 0 | 0 | 110 | C245 F246 H254 A257 L291 | C245-I252 CarbonylContact O-C 3.53Å; C245-I252 WeakPolarHBondContact O-CA 3.4Å; F246-I252 HydrophobicContact CD1-CG1 4.01Å; F246-I252 HydrophobicContact CE1-CG1 3.64Å; F246-I252 HydrophobicContact CZ-CG1 4.41Å; I252-H254 PolarHBondContact O-N 3.46Å; I252-H254 VanDerWaalsContact O-N 3.07Å; I252-A257 HydrophobicContact CG2-CB 3.82Å; I252-L291 WeakPolarHBondContact CD1-O 3.36Å |
| 253 | C | 85.2 | Confident | 86.3 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | trans | -76.9 | 87.9 | 165.9 | -174 | 0 | 0 | 0 | 0 | 109 | C245 N251 Y255 E256 A257 | C245-C253 PolarHBondContact O-N 3Å; N251-C253 PolarHBondContact O-N 3.11Å; C253-Y255 VanDerWaalsContact C-N 3.25Å; C253-Y255 PolarHBondContact O-N 3.29Å; C253-Y255 VanDerWaalsContact O-N 3.13Å; C253-E256 HydrophobicContact CB-CB 4.26Å; C253-E256 PolarHBondContact O-N 3.02Å; C253-E256 VanDerWaalsContact O-N 3.11Å; C253-A257 WeakPolarHBondContact O-CB 3.42Å; C253-A257 PolarHBondContact O-N 3.32Å | ||
| 254 | H | 83.2 | Confident | 86.6 | Confident | 115 Ų | 115 | 57.2 Ų | 57.2 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -51.1 | -40.5 | -173.3 | -72.8 | -69.4 | 0 | 0 | 0 | 114.2 | I252 D258 | I252-H254 PolarHBondContact O-N 3.46Å; I252-H254 VanDerWaalsContact O-N 3.07Å; H254-D258 VanDerWaalsContact O-CB 3.31Å; H254-D258 WeakPolarHBondContact O-CB 3.33Å; H254-D258 PolarHBondContact O-N 3.18Å |
| 255 | Y | 86.3 | Confident | 86.9 | Confident | 195 Ų | 195 | 55.7 Ų | 55.7 | 77% | 0.765 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | 179.6 | 179.1 | -97.7 | 0 | 0 | 0 | 112.5 | C253 A259 | C253-Y255 VanDerWaalsContact C-N 3.25Å; C253-Y255 PolarHBondContact O-N 3.29Å; C253-Y255 VanDerWaalsContact O-N 3.13Å; Y255-A259 WeakPolarHBondContact O-CB 3.37Å; Y255-A259 PolarHBondContact O-N 2.93Å; Y255-A259 VanDerWaalsContact O-N 3.09Å |
| 256 | E | 87 | Confident | 87.3 | Confident | 83 Ų | 83 | 58 Ų | 58 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.6 | -36.2 | 179.6 | -69.7 | -169.2 | -152.4 | 0 | 0 | 112.1 | K244 C253 T260 | K244-E256 VanDerWaalsContact O-CB 3.26Å; K244-E256 WeakPolarHBondContact O-CB 3.28Å; K244-E256 VanDerWaalsContact O-OE2 3.13Å; C253-E256 HydrophobicContact CB-CB 4.26Å; C253-E256 PolarHBondContact O-N 3.02Å; C253-E256 VanDerWaalsContact O-N 3.11Å; E256-T260 WeakPolarHBondContact O-CB 3.42Å; E256-T260 PolarHBondContact O-N 3.29Å; E256-T260 PolarHBondContact O-OG1 2.93Å |
| 257 | A | 87.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C245 I252 C253 T260 Y261 | C245-A257 HydrophobicContact CB-CB 4.27Å; I252-A257 HydrophobicContact CG2-CB 3.82Å; C253-A257 WeakPolarHBondContact O-CB 3.42Å; C253-A257 PolarHBondContact O-N 3.32Å; A257-T260 PolarHBondContact O-N 3.38Å; A257-Y261 WeakPolarHBondContact O-CB 3.45Å; A257-Y261 PolarHBondContact O-N 3.37Å |
| 258 | D | 88.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.3 | -81.9 | -25.2 | 0 | 0 | 0 | 111.8 | H254 T260 Y261 N262 Y306 | H254-D258 VanDerWaalsContact O-CB 3.31Å; H254-D258 WeakPolarHBondContact O-CB 3.33Å; H254-D258 PolarHBondContact O-N 3.18Å; D258-T260 VanDerWaalsContact C-N 3.35Å; D258-T260 PolarHBondContact O-N 2.92Å; D258-Y261 PolarHBondContact O-N 2.86Å; D258-N262 WeakPolarHBondContact O-CB 3.38Å; D258-N262 VanDerWaalsContact O-CG 3.28Å; D258-N262 PolarHBondContact O-N 3.45Å; D258-N262 PolarHBondContact O-ND2 2.91Å; D258-Y306 PolarHBondContact N-OH 2.82Å; D258-Y306 WeakPolarHBondContact OD1-CE1 3.38Å; D258-Y306 PolarHBondContact OD1-OH 2.77Å |
| 259 | A | 90.7 | Very high | 89.1 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y255 L263 | Y255-A259 WeakPolarHBondContact O-CB 3.37Å; Y255-A259 PolarHBondContact O-N 2.93Å; Y255-A259 VanDerWaalsContact O-N 3.09Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 PolarHBondContact O-N 3.12Å; A259-L263 VanDerWaalsContact O-N 3.11Å |
| 260 | T | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | L241 E256 A257 D258 N262 L263 F264 | L241-T260 HydrophobicContact CD2-CG2 3.6Å; E256-T260 WeakPolarHBondContact O-CB 3.42Å; E256-T260 PolarHBondContact O-N 3.29Å; E256-T260 PolarHBondContact O-OG1 2.93Å; A257-T260 PolarHBondContact O-N 3.38Å; D258-T260 VanDerWaalsContact C-N 3.35Å; D258-T260 PolarHBondContact O-N 2.92Å; T260-N262 PolarHBondContact O-N 2.84Å; T260-L263 WeakPolarHBondContact O-CB 3.36Å; T260-L263 PolarHBondContact O-N 3.36Å; T260-F264 HydrophobicContact CG2-CD2 3.78Å; T260-F264 HydrophobicContact CG2-CE2 3.78Å; T260-F264 VanDerWaalsContact O-CD2 3.3Å; T260-F264 WeakPolarHBondContact O-CD2 3.41Å; T260-F264 PolarHBondContact O-N 3.07Å |
| 261 | Y | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 176.4 | 174.6 | -93 | 0 | 0 | 0 | 112.3 | A257 D258 L263 F264 C265 L288 Y306 K309 F310 | A257-Y261 WeakPolarHBondContact O-CB 3.45Å; A257-Y261 PolarHBondContact O-N 3.37Å; D258-Y261 PolarHBondContact O-N 2.86Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 3.04Å; Y261-F264 PolarHBondContact O-N 3.12Å; Y261-C265 WeakPolarHBondContact CE1-SG 3.26Å; Y261-C265 PolarHBondContact O-N 2.88Å; Y261-C265 PolarHBondContact O-SG 3.47Å; Y261-L288 HydrophobicContact CD2-CB 4.36Å; Y261-Y306 AromaticContact CD1-CD1 3.57Å; Y261-Y306 HydrophobicContact CD1-CD1 3.57Å; Y261-Y306 AromaticContact CD1-CE1 3.88Å; Y261-Y306 HydrophobicContact CD1-CE1 3.88Å; Y261-Y306 AromaticContact CD2-CD1 3.42Å; Y261-Y306 HydrophobicContact CD2-CD1 3.42Å; Y261-Y306 VanDerWaalsContact CD2-CD1 3.42Å; Y261-Y306 HydrophobicContact CD2-CE1 4.14Å; Y261-Y306 AromaticContact CD2-CG 3.77Å; Y261-Y306 HydrophobicContact CD2-CG 3.77Å; Y261-Y306 AromaticContact CE1-CD1 3.85Å; Y261-Y306 HydrophobicContact CE1-CD1 3.85Å; Y261-Y306 AromaticContact CE2-CD1 3.72Å; Y261-Y306 HydrophobicContact CE2-CD1 3.72Å; Y261-Y306 AromaticContact CE2-CG 3.94Å; Y261-Y306 HydrophobicContact CE2-CG 3.94Å; Y261-Y306 AromaticContact CG-CD1 3.34Å; Y261-Y306 HydrophobicContact CG-CD1 3.34Å; Y261-Y306 AromaticContact CG-CE1 3.65Å; Y261-Y306 HydrophobicContact CG-CE1 3.65Å; Y261-Y306 HydrophobicContact CG-CG 4.14Å; Y261-Y306 AromaticContact CZ-CD1 3.91Å; Y261-Y306 PolarHBondContact OH-O 2.85Å; Y261-K309 HydrophobicContact CE1-CB 4.24Å; Y261-K309 HydrophobicContact CE1-CD 4.47Å; Y261-K309 WeakPolarHBondContact OH-CB 3.22Å; Y261-F310 WeakPolarHBondContact OH-CA 3.17Å; Y261-F310 WeakPolarHBondContact OH-CB 3.37Å; Y261-F310 PolarHBondContact OH-N 3.31Å |
| 262 | N | 92.8 | Very high | 91.2 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 179.7 | -71.7 | -41.4 | 0 | 0 | 0 | 112.1 | D258 T260 C265 S266 | D258-N262 WeakPolarHBondContact O-CB 3.38Å; D258-N262 VanDerWaalsContact O-CG 3.28Å; D258-N262 PolarHBondContact O-N 3.45Å; D258-N262 PolarHBondContact O-ND2 2.91Å; T260-N262 PolarHBondContact O-N 2.84Å; N262-C265 PolarHBondContact O-N 2.88Å; N262-S266 PolarHBondContact O-N 3.39Å; N262-S266 VanDerWaalsContact O-N 3.12Å; N262-S266 PolarHBondContact O-OG 2.93Å |
| 263 | L | 94.6 | Very high | 91.7 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -51.7 | 174.6 | -170 | 76.9 | 0 | 0 | 0 | 111.3 | K172 F173 L176 A259 T260 Y261 C265 S266 I267 | K172-L263 HydrophobicContact CD-CD2 3.99Å; K172-L263 HydrophobicContact CG-CD2 3.85Å; F173-L263 HydrophobicContact CB-CD1 3.85Å; F173-L263 HydrophobicContact CD2-CD1 3.63Å; F173-L263 HydrophobicContact CD2-CG 4.4Å; F173-L263 HydrophobicContact CG-CD1 4.24Å; L176-L263 HydrophobicContact CD1-CD2 3.59Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 PolarHBondContact O-N 3.12Å; A259-L263 VanDerWaalsContact O-N 3.11Å; T260-L263 WeakPolarHBondContact O-CB 3.36Å; T260-L263 PolarHBondContact O-N 3.36Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 3.04Å; L263-C265 VanDerWaalsContact C-N 3.3Å; L263-C265 PolarHBondContact O-N 3Å; L263-S266 WeakPolarHBondContact O-CB 2.97Å; L263-S266 PolarHBondContact O-N 3.31Å; L263-S266 VanDerWaalsContact O-N 3.1Å; L263-I267 HydrophobicContact CG-CD1 4.25Å; L263-I267 WeakPolarHBondContact O-CG1 3.41Å; L263-I267 PolarHBondContact O-N 3.28Å |
| 264 | F | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -30.6 | 179.3 | -86.2 | -100 | 0 | 0 | 0 | 112.5 | L176 I180 L237 L241 T260 Y261 S266 I267 F268 I284 W285 L288 | L176-F264 HydrophobicContact CD1-CE2 3.91Å; L176-F264 HydrophobicContact CD1-CZ 4.27Å; I180-F264 HydrophobicContact CD1-CE1 4.25Å; I180-F264 HydrophobicContact CG1-CE1 4.46Å; L237-F264 HydrophobicContact CD1-CZ 4.31Å; L241-F264 HydrophobicContact CD2-CD2 4.34Å; L241-F264 HydrophobicContact CD2-CE2 3.62Å; L241-F264 HydrophobicContact CD2-CZ 3.72Å; L241-F264 HydrophobicContact CG-CZ 4.47Å; T260-F264 HydrophobicContact CG2-CD2 3.78Å; T260-F264 HydrophobicContact CG2-CE2 3.78Å; T260-F264 VanDerWaalsContact O-CD2 3.3Å; T260-F264 WeakPolarHBondContact O-CD2 3.41Å; T260-F264 PolarHBondContact O-N 3.07Å; Y261-F264 PolarHBondContact O-N 3.12Å; F264-S266 VanDerWaalsContact C-N 3.34Å; F264-I267 PolarHBondContact O-N 2.9Å; F264-F268 WeakPolarHBondContact O-CB 3.27Å; F264-F268 PolarHBondContact O-N 3.34Å; F264-I284 HydrophobicContact CD1-CG2 3.82Å; F264-I284 HydrophobicContact CE1-CG2 3.74Å; F264-W285 HydrophobicContact CD1-CZ2 4.34Å; F264-W285 WeakPolarHBondContact O-CZ2 3.49Å; F264-W285 PolarHBondContact O-NE1 3.48Å; F264-L288 HydrophobicContact CB-CD1 3.47Å; F264-L288 VanDerWaalsContact CB-CD1 3.47Å; F264-L288 HydrophobicContact CD1-CD1 4.01Å; F264-L288 HydrophobicContact CD2-CD1 4.33Å; F264-L288 HydrophobicContact CG-CD1 3.68Å |
| 265 | C | 94.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 170.8 | -72.4 | 0 | 0 | 0 | 0 | 112 | Y261 N262 L263 F268 Q269 L313 | Y261-C265 WeakPolarHBondContact CE1-SG 3.26Å; Y261-C265 PolarHBondContact O-N 2.88Å; Y261-C265 PolarHBondContact O-SG 3.47Å; N262-C265 PolarHBondContact O-N 2.88Å; L263-C265 VanDerWaalsContact C-N 3.3Å; L263-C265 PolarHBondContact O-N 3Å; C265-F268 WeakPolarHBondContact O-CB 3.38Å; C265-F268 PolarHBondContact O-N 3.25Å; C265-Q269 PolarHBondContact O-N 3.38Å; C265-L313 HydrophobicContact CB-CD1 3.86Å |
| 266 | S | 95.4 | Very high | 92.1 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | N262 L263 F264 F268 Q269 Q270 | N262-S266 PolarHBondContact O-N 3.39Å; N262-S266 VanDerWaalsContact O-N 3.12Å; N262-S266 PolarHBondContact O-OG 2.93Å; L263-S266 WeakPolarHBondContact O-CB 2.97Å; L263-S266 PolarHBondContact O-N 3.31Å; L263-S266 VanDerWaalsContact O-N 3.1Å; F264-S266 VanDerWaalsContact C-N 3.34Å; S266-F268 VanDerWaalsContact C-N 3.35Å; S266-F268 PolarHBondContact O-N 3.5Å; S266-Q269 PolarHBondContact O-N 2.68Å; S266-Q270 WeakPolarHBondContact O-CG 3.41Å; S266-Q270 PolarHBondContact O-N 3.21Å |
| 267 | I | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.8 | -65.8 | 171.1 | 0 | 0 | 0 | 111 | F173 L176 I180 L263 F264 Q269 Q270 I271 | F173-I267 HydrophobicContact CD2-CG1 4.1Å; F173-I267 HydrophobicContact CE2-CG1 3.78Å; L176-I267 HydrophobicContact CB-CD1 3.76Å; I180-I267 HydrophobicContact CB-CG2 3.89Å; I180-I267 HydrophobicContact CG1-CG2 3.95Å; I180-I267 HydrophobicContact CG2-CG2 3.81Å; L263-I267 HydrophobicContact CG-CD1 4.25Å; L263-I267 WeakPolarHBondContact O-CG1 3.41Å; L263-I267 PolarHBondContact O-N 3.28Å; F264-I267 PolarHBondContact O-N 2.9Å; I267-Q269 PolarHBondContact O-N 3.32Å; I267-Q270 PolarHBondContact O-N 2.68Å; I267-I271 HydrophobicContact CG2-CD1 3.9Å; I267-I271 HydrophobicContact CG2-CG1 4.37Å; I267-I271 WeakPolarHBondContact O-CB 3.3Å; I267-I271 PolarHBondContact O-N 2.91Å |
| 268 | F | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -56.5 | -50.7 | 178.1 | -178.5 | -101.2 | 0 | 0 | 0 | 112.5 | F264 C265 S266 Q270 V272 L273 W285 F310 L314 Y334 | F264-F268 WeakPolarHBondContact O-CB 3.27Å; F264-F268 PolarHBondContact O-N 3.34Å; C265-F268 WeakPolarHBondContact O-CB 3.38Å; C265-F268 PolarHBondContact O-N 3.25Å; S266-F268 VanDerWaalsContact C-N 3.35Å; S266-F268 PolarHBondContact O-N 3.5Å; F268-Q270 VanDerWaalsContact C-N 3.27Å; F268-Q270 PolarHBondContact O-N 2.92Å; F268-V272 HydrophobicContact CD2-CB 3.87Å; F268-V272 HydrophobicContact CD2-CG1 3.93Å; F268-V272 HydrophobicContact CE2-CB 4.22Å; F268-V272 HydrophobicContact CE2-CG1 3.83Å; F268-V272 PolarHBondContact O-N 2.86Å; F268-V272 VanDerWaalsContact O-N 3.1Å; F268-L273 HydrophobicContact CD1-CB 4.23Å; F268-L273 HydrophobicContact CE1-CB 3.9Å; F268-L273 HydrophobicContact CE1-CD1 4.05Å; F268-L273 HydrophobicContact CE1-CG 4.4Å; F268-L273 HydrophobicContact CZ-CB 4.29Å; F268-L273 HydrophobicContact CZ-CD1 4.27Å; F268-L273 WeakPolarHBondContact O-CB 3.3Å; F268-L273 PolarHBondContact O-N 3.08Å; F268-W285 HydrophobicContact CB-CD2 4.41Å; F268-W285 HydrophobicContact CB-CZ2 3.62Å; F268-W285 AromaticContact CD2-CD2 3.66Å; F268-W285 HydrophobicContact CD2-CD2 3.66Å; F268-W285 AromaticContact CD2-CE2 3.63Å; F268-W285 HydrophobicContact CD2-CE3 4.02Å; F268-W285 HydrophobicContact CD2-CG 4.11Å; F268-W285 HydrophobicContact CD2-CH2 4.3Å; F268-W285 AromaticContact CD2-CZ2 3.95Å; F268-W285 HydrophobicContact CD2-CZ2 3.95Å; F268-W285 HydrophobicContact CD2-CZ3 4.33Å; F268-W285 HydrophobicContact CE2-CD2 4.45Å; F268-W285 HydrophobicContact CG-CD2 4.39Å; F268-W285 AromaticContact CG-CE2 3.98Å; F268-W285 HydrophobicContact CG-CZ2 4.28Å; F268-W285 AromaticContact CG-NE1 3.99Å; F268-F310 HydrophobicContact CD1-CE2 4Å; F268-F310 HydrophobicContact CD1-CZ 4.21Å; F268-F310 HydrophobicContact CD2-CE2 4.48Å; F268-F310 HydrophobicContact CD2-CZ 4.19Å; F268-F310 HydrophobicContact CE1-CE2 4.22Å; F268-F310 HydrophobicContact CE1-CZ 4.05Å; F268-F310 HydrophobicContact CE2-CZ 4.01Å; F268-F310 HydrophobicContact CG-CE2 4.15Å; F268-F310 HydrophobicContact CG-CZ 4.28Å; F268-F310 AromaticContact CZ-CZ 3.95Å; F268-F310 HydrophobicContact CZ-CZ 3.95Å; F268-L314 HydrophobicContact CE1-CD2 3.54Å; F268-L314 HydrophobicContact CZ-CD2 3.91Å; F268-Y334 HydrophobicContact CE2-CD1 4.08Å; F268-Y334 AromaticContact CE2-CE1 3.77Å; F268-Y334 HydrophobicContact CE2-CE1 3.77Å; F268-Y334 HydrophobicContact CE2-CE2 4.3Å; F268-Y334 HydrophobicContact CE2-CG 4.48Å; F268-Y334 AromaticContact CE2-CZ 3.93Å; F268-Y334 AromaticContact CZ-CD1 3.86Å; F268-Y334 HydrophobicContact CZ-CD1 3.86Å; F268-Y334 AromaticContact CZ-CD2 3.82Å; F268-Y334 HydrophobicContact CZ-CD2 3.82Å; F268-Y334 AromaticContact CZ-CE1 3.93Å; F268-Y334 HydrophobicContact CZ-CE1 3.93Å; F268-Y334 AromaticContact CZ-CE2 3.93Å; F268-Y334 HydrophobicContact CZ-CE2 3.93Å; F268-Y334 AromaticContact CZ-CG 3.83Å; F268-Y334 HydrophobicContact CZ-CG 3.83Å |
| 269 | Q | 93.9 | Very high | 91.4 | Very high | 77 Ų | 77 | 30.5 Ų | 30.5 | 36% | 0.36 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -63.2 | -35.2 | -177.9 | -70.5 | 179.9 | -22.6 | 0 | 0 | 112.1 | C265 S266 I267 L313 | C265-Q269 PolarHBondContact O-N 3.38Å; S266-Q269 PolarHBondContact O-N 2.68Å; I267-Q269 PolarHBondContact O-N 3.32Å; Q269-L313 HydrophobicContact CG-CD2 4.08Å |
| 270 | Q | 92.9 | Very high | 91.3 | Very high | 123 Ų | 123 | 28.1 Ų | 28.1 | 58% | 0.575 | 15% | 0.149 | S | C | * | . | I | π-helix | trans | -83 | -37 | -177.6 | -68.1 | -174 | 12.9 | 0 | 0 | 113.7 | S266 I267 F268 | S266-Q270 WeakPolarHBondContact O-CG 3.41Å; S266-Q270 PolarHBondContact O-N 3.21Å; I267-Q270 PolarHBondContact O-N 2.68Å; F268-Q270 VanDerWaalsContact C-N 3.27Å; F268-Q270 PolarHBondContact O-N 2.92Å |
| 271 | I | 94 | Very high | 91.3 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.108 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -113.7 | -53.5 | -166.9 | -54 | -176.1 | 0 | 0 | 0 | 112 | S177 I180 E181 I267 P274 I275 | S177-I271 VanDerWaalsContact O-CD1 3.24Å; S177-I271 WeakPolarHBondContact O-CD1 3.46Å; I180-I271 HydrophobicContact CG2-CB 4.47Å; I180-I271 HydrophobicContact CG2-CG2 4.15Å; E181-I271 HydrophobicContact CB-CD1 4.33Å; E181-I271 HydrophobicContact CB-CG2 4.06Å; E181-I271 HydrophobicContact CG-CG2 4.34Å; I267-I271 HydrophobicContact CG2-CD1 3.9Å; I267-I271 HydrophobicContact CG2-CG1 4.37Å; I267-I271 WeakPolarHBondContact O-CB 3.3Å; I267-I271 PolarHBondContact O-N 2.91Å; I271-P274 WeakPolarHBondContact O-CD 3.16Å; I271-I275 HydrophobicContact CG2-CD1 4.42Å; I271-I275 WeakPolarHBondContact O-CD1 3.05Å; I271-I275 VanDerWaalsContact O-CG1 3.24Å; I271-I275 WeakPolarHBondContact O-CG1 3.14Å |
| 272 | V | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -84.6 | -42.5 | -169.1 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | I180 F268 P274 I275 V281 W285 Y334 | I180-V272 HydrophobicContact CG2-CG2 3.61Å; F268-V272 HydrophobicContact CD2-CB 3.87Å; F268-V272 HydrophobicContact CD2-CG1 3.93Å; F268-V272 HydrophobicContact CE2-CB 4.22Å; F268-V272 HydrophobicContact CE2-CG1 3.83Å; F268-V272 PolarHBondContact O-N 2.86Å; F268-V272 VanDerWaalsContact O-N 3.1Å; V272-P274 VanDerWaalsContact C-N 3.35Å; V272-I275 PolarHBondContact O-N 2.84Å; V272-V281 HydrophobicContact CG2-CG1 4Å; V272-W285 HydrophobicContact CB-CH2 4.09Å; V272-W285 HydrophobicContact CB-CZ3 4.29Å; V272-W285 HydrophobicContact CG1-CH2 4.5Å; V272-W285 HydrophobicContact CG1-CZ3 4.2Å; V272-W285 HydrophobicContact CG2-CH2 3.36Å; V272-W285 HydrophobicContact CG2-CZ2 4.28Å; V272-W285 HydrophobicContact CG2-CZ3 3.73Å; V272-Y334 WeakPolarHBondContact CG1-OH 3.48Å |
| 273 | L | 93.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -39.1 | -179.6 | 179.9 | 65.2 | 0 | 0 | 0 | 113.7 | F268 I275 C317 F327 N330 A331 Y334 | F268-L273 HydrophobicContact CD1-CB 4.23Å; F268-L273 HydrophobicContact CE1-CB 3.9Å; F268-L273 HydrophobicContact CE1-CD1 4.05Å; F268-L273 HydrophobicContact CE1-CG 4.4Å; F268-L273 HydrophobicContact CZ-CB 4.29Å; F268-L273 HydrophobicContact CZ-CD1 4.27Å; F268-L273 WeakPolarHBondContact O-CB 3.3Å; F268-L273 PolarHBondContact O-N 3.08Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-I275 PolarHBondContact O-N 2.88Å; L273-C317 HydrophobicContact CD2-CB 4.45Å; L273-F327 HydrophobicContact CD2-CB 4.49Å; L273-N330 HydrophobicContact CD1-CB 4Å; L273-N330 WeakPolarHBondContact O-CB 3.3Å; L273-N330 PolarHBondContact O-ND2 3.19Å; L273-A331 HydrophobicContact CD1-CB 3.94Å; L273-Y334 HydrophobicContact CD1-CD2 4.03Å; L273-Y334 HydrophobicContact CD1-CE2 4.29Å |
| 274 | P | 92.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 22 Ų | 22 | 27% | 0.273 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.2 | 173.9 | -26.3 | 37.5 | 0 | 0 | 0 | 114.8 | I271 V272 F327 | I271-P274 WeakPolarHBondContact O-CD 3.16Å; V272-P274 VanDerWaalsContact C-N 3.35Å; P274-F327 HydrophobicContact CB-CD1 4.22Å; P274-F327 HydrophobicContact CB-CE1 3.47Å; P274-F327 VanDerWaalsContact CB-CE1 3.47Å; P274-F327 HydrophobicContact CB-CE2 4.43Å; P274-F327 HydrophobicContact CB-CZ 3.6Å; P274-F327 HydrophobicContact CG-CD1 4.46Å; P274-F327 HydrophobicContact CG-CE1 3.86Å; P274-F327 HydrophobicContact CG-CE2 3.93Å; P274-F327 HydrophobicContact CG-CZ 3.56Å |
| 275 | I | 89.2 | Confident | 91 | Very high | 48 Ų | 48 | 22 Ų | 22 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | trans | -89.5 | 113.2 | -171.5 | -57.3 | 168.9 | 0 | 0 | 0 | 109.3 | T188 I271 V272 L273 C278 | T188-I275 HydrophobicContact CG2-CG2 3.59Å; I271-I275 HydrophobicContact CG2-CD1 4.42Å; I271-I275 WeakPolarHBondContact O-CD1 3.05Å; I271-I275 VanDerWaalsContact O-CG1 3.24Å; I271-I275 WeakPolarHBondContact O-CG1 3.14Å; V272-I275 PolarHBondContact O-N 2.84Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-I275 PolarHBondContact O-N 2.88Å; I275-C278 WeakPolarHBondContact CG2-SG 3.24Å | ||
| 276 | R | 82 | Confident | 90.8 | Very high | 59 Ų | 59 | 21.7 Ų | 21.7 | 22% | 0.223 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 133.1 | 169.7 | -161.8 | 177.1 | -175 | 88.9 | -6.4 | 108.7 | N330 E497 F499 | R276-N330 PolarHBondContact NH1-OD1 3.13Å; R276-E497 PolarHBondContact NH2-O 2.9Å; R276-F499 HydrophobicContact CG-CB 4.36Å; R276-F499 HydrophobicContact CG-CD1 3.82Å; R276-F499 HydrophobicContact CG-CD2 4.22Å; R276-F499 HydrophobicContact CG-CE1 4.08Å; R276-F499 HydrophobicContact CG-CE2 4.49Å; R276-F499 HydrophobicContact CG-CG 3.87Å; R276-F499 HydrophobicContact CG-CZ 4.4Å; R276-F499 VanDerWaalsContact NH2-CB 3.3Å |
| 277 | G | 78.6 | Confident | 90.6 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107 | -0.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S279 F581 | G277-S279 PolarHBondContact O-N 3.43Å; G277-F581 WeakPolarHBondContact O-CZ 3.26Å |
| 278 | C | 85.3 | Confident | 90.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | trans | -68.4 | 129.8 | 166.8 | -61 | 0 | 0 | 0 | 0 | 109.6 | D187 I275 P282 | D187-C278 WeakPolarHBondContact OD2-CA 3.42Å; D187-C278 WeakPolarHBondContact OD2-CB 3.41Å; I275-C278 WeakPolarHBondContact CG2-SG 3.24Å; C278-P282 HydrophobicContact CB-CG 4.02Å | ||
| 279 | S | 82.9 | Confident | 90 | Very high | 20 Ų | 20 | 20.4 Ų | 20.4 | 14% | 0.14 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -115.1 | -36.2 | -174.3 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | D187 G277 F283 | D187-S279 VanDerWaalsContact CG-N 3.26Å; D187-S279 PolarHBondContact OD1-N 3.24Å; D187-S279 PolarHBondContact OD1-OG 2.97Å; D187-S279 PolarHBondContact OD2-N 2.92Å; G277-S279 PolarHBondContact O-N 3.43Å; S279-F283 WeakPolarHBondContact O-CD2 3.38Å; S279-F283 VanDerWaalsContact O-CE2 3.22Å; S279-F283 WeakPolarHBondContact O-CE2 3.48Å |
| 280 | C | 88.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -99.4 | -45.4 | -178 | -56.3 | 0 | 0 | 0 | 0 | 112 | D187 L234 P282 F283 Y505 L507 | D187-C280 PolarHBondContact OD1-N 3.29Å; D187-C280 PolarHBondContact OD2-N 3.03Å; L234-C280 HydrophobicContact CD1-CB 3.7Å; C280-P282 VanDerWaalsContact C-CD 3.44Å; C280-F283 WeakPolarHBondContact O-CB 3.5Å; C280-F283 PolarHBondContact O-N 3.21Å; C280-F283 VanDerWaalsContact O-N 3.08Å; C280-Y505 HydrophobicContact CB-CE2 4.14Å; C280-L507 HydrophobicContact CB-CD1 4.29Å |
| 281 | V | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -39.6 | -176 | 170.2 | 0 | 0 | 0 | 0 | 113.6 | I180 L183 D187 V272 F283 I284 W285 | I180-V281 HydrophobicContact CG2-CG1 4.41Å; L183-V281 HydrophobicContact CB-CG2 3.88Å; D187-V281 HydrophobicContact CB-CG2 3.9Å; D187-V281 WeakPolarHBondContact OD2-CB 3.29Å; D187-V281 PolarHBondContact OD2-N 2.97Å; V272-V281 HydrophobicContact CG2-CG1 4Å; V281-F283 PolarHBondContact O-N 2.62Å; V281-F283 VanDerWaalsContact O-N 3.07Å; V281-I284 HydrophobicContact CG1-CD1 4.12Å; V281-I284 WeakPolarHBondContact O-CB 3.44Å; V281-I284 WeakPolarHBondContact O-CD1 3.38Å; V281-I284 VanDerWaalsContact O-CG1 3.28Å; V281-I284 WeakPolarHBondContact O-CG1 3.41Å; V281-I284 PolarHBondContact O-N 2.62Å; V281-I284 VanDerWaalsContact O-N 3.12Å; V281-W285 HydrophobicContact CG1-CH2 4.46Å; V281-W285 HydrophobicContact CG1-CZ3 3.9Å; V281-W285 WeakPolarHBondContact O-CZ3 3.18Å |
| 282 | P | 92.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -33.4 | 174.3 | -35.7 | 42.2 | 0 | 0 | 0 | 115.1 | C278 C280 I284 W285 Y334 P501 F502 | C278-P282 HydrophobicContact CB-CG 4.02Å; C280-P282 VanDerWaalsContact C-CD 3.44Å; P282-I284 PolarHBondContact O-N 2.5Å; P282-I284 VanDerWaalsContact O-N 3.09Å; P282-W285 PolarHBondContact O-N 2.78Å; P282-Y334 HydrophobicContact CB-CE1 3.96Å; P282-Y334 HydrophobicContact CG-CE1 4.05Å; P282-P501 HydrophobicContact CB-CB 3.92Å; P282-P501 HydrophobicContact CG-CB 3.94Å; P282-F502 HydrophobicContact CB-CD1 4.36Å; P282-F502 HydrophobicContact CB-CE1 3.85Å; P282-F502 HydrophobicContact CB-CZ 4.27Å; P282-F502 VanDerWaalsContact O-CE1 3.27Å; P282-F502 WeakPolarHBondContact O-CE1 3.43Å |
| 283 | F | 91.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.1 | -16.4 | -176.6 | -76.7 | -98.6 | 0 | 0 | 0 | 113.7 | S279 C280 V281 W285 L286 Y287 P501 Y505 I531 Y535 | S279-F283 WeakPolarHBondContact O-CD2 3.38Å; S279-F283 VanDerWaalsContact O-CE2 3.22Å; S279-F283 WeakPolarHBondContact O-CE2 3.48Å; C280-F283 WeakPolarHBondContact O-CB 3.5Å; C280-F283 PolarHBondContact O-N 3.21Å; C280-F283 VanDerWaalsContact O-N 3.08Å; V281-F283 PolarHBondContact O-N 2.62Å; V281-F283 VanDerWaalsContact O-N 3.07Å; F283-W285 VanDerWaalsContact C-N 3.27Å; F283-W285 PolarHBondContact O-N 3.4Å; F283-L286 HydrophobicContact CD1-CD2 3.69Å; F283-L286 HydrophobicContact CE1-CD2 3.92Å; F283-L286 WeakPolarHBondContact O-CB 3.46Å; F283-L286 PolarHBondContact O-N 3.42Å; F283-Y287 WeakPolarHBondContact O-CB 3.3Å; F283-Y287 PolarHBondContact O-N 3.08Å; F283-P501 WeakPolarHBondContact CE2-O 3.39Å; F283-Y505 HydrophobicContact CB-CD2 4.24Å; F283-Y505 HydrophobicContact CB-CE2 4.09Å; F283-Y505 AromaticContact CD1-CD2 3.88Å; F283-Y505 HydrophobicContact CD1-CD2 3.88Å; F283-Y505 AromaticContact CD2-CD2 3.59Å; F283-Y505 HydrophobicContact CD2-CD2 3.59Å; F283-Y505 AromaticContact CD2-CE2 3.99Å; F283-Y505 HydrophobicContact CD2-CE2 3.99Å; F283-Y505 HydrophobicContact CE1-CD2 4.05Å; F283-Y505 HydrophobicContact CE1-CG 4.5Å; F283-Y505 AromaticContact CE2-CD2 3.79Å; F283-Y505 HydrophobicContact CE2-CD2 3.79Å; F283-Y505 AromaticContact CG-CD2 3.63Å; F283-Y505 HydrophobicContact CG-CD2 3.63Å; F283-Y505 AromaticContact CG-CE2 3.96Å; F283-Y505 HydrophobicContact CG-CE2 3.96Å; F283-Y505 AromaticContact CZ-CD2 4Å; F283-Y505 HydrophobicContact CZ-CD2 4Å; F283-I531 HydrophobicContact CB-CD1 3.64Å; F283-I531 HydrophobicContact CB-CG1 4.32Å; F283-I531 HydrophobicContact CD1-CB 4.49Å; F283-I531 HydrophobicContact CD1-CD1 4.14Å; F283-I531 HydrophobicContact CD1-CG1 4.39Å; F283-I531 HydrophobicContact CD1-CG2 3.33Å; F283-I531 HydrophobicContact CE1-CG2 3.66Å; F283-I531 HydrophobicContact CG-CD1 4.12Å; F283-I531 HydrophobicContact CG-CG2 4.33Å; F283-Y535 HydrophobicContact CE1-CD1 4.3Å |
| 284 | I | 93.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 168.8 | -61.2 | 163.4 | 0 | 0 | 0 | 110.8 | I180 L234 L237 F238 L241 F264 V281 P282 Y287 L288 | I180-I284 HydrophobicContact CD1-CD1 3.56Å; L234-I284 HydrophobicContact CD2-CD1 3.87Å; L234-I284 HydrophobicContact CD2-CG1 4.05Å; L237-I284 HydrophobicContact CD2-CD1 3.43Å; L237-I284 VanDerWaalsContact CD2-CD1 3.43Å; L237-I284 HydrophobicContact CD2-CG1 3.99Å; F238-I284 HydrophobicContact CE1-CG1 4.38Å; F238-I284 HydrophobicContact CZ-CG1 4.28Å; L241-I284 HydrophobicContact CD1-CG2 3.94Å; F264-I284 HydrophobicContact CD1-CG2 3.82Å; F264-I284 HydrophobicContact CE1-CG2 3.74Å; V281-I284 HydrophobicContact CG1-CD1 4.12Å; V281-I284 WeakPolarHBondContact O-CB 3.44Å; V281-I284 WeakPolarHBondContact O-CD1 3.38Å; V281-I284 VanDerWaalsContact O-CG1 3.28Å; V281-I284 WeakPolarHBondContact O-CG1 3.41Å; V281-I284 PolarHBondContact O-N 2.62Å; V281-I284 VanDerWaalsContact O-N 3.12Å; P282-I284 PolarHBondContact O-N 2.5Å; P282-I284 VanDerWaalsContact O-N 3.09Å; I284-Y287 WeakPolarHBondContact O-CB 3.4Å; I284-Y287 PolarHBondContact O-N 3.19Å; I284-L288 HydrophobicContact CG2-CD1 4.41Å; I284-L288 WeakPolarHBondContact O-CG 3.34Å; I284-L288 PolarHBondContact O-N 2.58Å |
| 285 | W | 93.7 | Very high | 81.2 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.7 | -32.2 | 178 | -71.5 | -89.7 | 0 | 0 | 0 | 112.4 | I180 F264 F268 V272 V281 P282 F283 Y287 L288 C289 F310 | I180-W285 HydrophobicContact CG2-CH2 4.02Å; F264-W285 HydrophobicContact CD1-CZ2 4.34Å; F264-W285 WeakPolarHBondContact O-CZ2 3.49Å; F264-W285 PolarHBondContact O-NE1 3.48Å; F268-W285 HydrophobicContact CB-CD2 4.41Å; F268-W285 HydrophobicContact CB-CZ2 3.62Å; F268-W285 AromaticContact CD2-CD2 3.66Å; F268-W285 HydrophobicContact CD2-CD2 3.66Å; F268-W285 AromaticContact CD2-CE2 3.63Å; F268-W285 HydrophobicContact CD2-CE3 4.02Å; F268-W285 HydrophobicContact CD2-CG 4.11Å; F268-W285 HydrophobicContact CD2-CH2 4.3Å; F268-W285 AromaticContact CD2-CZ2 3.95Å; F268-W285 HydrophobicContact CD2-CZ2 3.95Å; F268-W285 HydrophobicContact CD2-CZ3 4.33Å; F268-W285 HydrophobicContact CE2-CD2 4.45Å; F268-W285 HydrophobicContact CG-CD2 4.39Å; F268-W285 AromaticContact CG-CE2 3.98Å; F268-W285 HydrophobicContact CG-CZ2 4.28Å; F268-W285 AromaticContact CG-NE1 3.99Å; V272-W285 HydrophobicContact CB-CH2 4.09Å; V272-W285 HydrophobicContact CB-CZ3 4.29Å; V272-W285 HydrophobicContact CG1-CH2 4.5Å; V272-W285 HydrophobicContact CG1-CZ3 4.2Å; V272-W285 HydrophobicContact CG2-CH2 3.36Å; V272-W285 HydrophobicContact CG2-CZ2 4.28Å; V272-W285 HydrophobicContact CG2-CZ3 3.73Å; V281-W285 HydrophobicContact CG1-CH2 4.46Å; V281-W285 HydrophobicContact CG1-CZ3 3.9Å; V281-W285 WeakPolarHBondContact O-CZ3 3.18Å; P282-W285 PolarHBondContact O-N 2.78Å; F283-W285 VanDerWaalsContact C-N 3.27Å; F283-W285 PolarHBondContact O-N 3.4Å; W285-Y287 VanDerWaalsContact C-N 3.34Å; W285-L288 PolarHBondContact O-N 3.17Å; W285-C289 WeakPolarHBondContact O-CB 3.18Å; W285-C289 PolarHBondContact O-N 3.28Å; W285-C289 PolarHBondContact O-SG 3.32Å; W285-F310 HydrophobicContact CB-CE1 3.96Å; W285-F310 HydrophobicContact CB-CE2 4.34Å; W285-F310 HydrophobicContact CB-CZ 3.78Å; W285-F310 AromaticContact CD1-CE2 3.65Å; W285-F310 AromaticContact CD1-CZ 3.89Å; W285-F310 HydrophobicContact CG-CE2 4.14Å; W285-F310 AromaticContact CG-CZ 3.9Å; W285-F310 HydrophobicContact CG-CZ 3.9Å |
| 286 | L | 90.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 172.5 | -173.3 | 67.2 | 0 | 0 | 0 | 110.9 | F283 C289 S290 L338 A342 F502 L534 | F283-L286 HydrophobicContact CD1-CD2 3.69Å; F283-L286 HydrophobicContact CE1-CD2 3.92Å; F283-L286 WeakPolarHBondContact O-CB 3.46Å; F283-L286 PolarHBondContact O-N 3.42Å; L286-C289 WeakPolarHBondContact O-CB 3.43Å; L286-C289 PolarHBondContact O-N 3.13Å; L286-S290 PolarHBondContact O-N 3.07Å; L286-S290 VanDerWaalsContact O-N 3.12Å; L286-L338 HydrophobicContact CD1-CD1 3.9Å; L286-A342 HydrophobicContact CD1-CB 3.52Å; L286-F502 HydrophobicContact CB-CD1 4.02Å; L286-F502 HydrophobicContact CB-CE1 3.79Å; L286-F502 HydrophobicContact CD2-CD1 4.27Å; L286-L534 HydrophobicContact CD2-CB 4.34Å; L286-L534 HydrophobicContact CG-CB 4.47Å |
| 287 | Y | 90.8 | Very high | 76.8 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.4 | -51.4 | 173.3 | 176.3 | -95.5 | 0 | 0 | 0 | 111.5 | F238 L241 F283 I284 W285 C289 S290 L291 F530 L534 | F238-Y287 AromaticContact CD1-CD1 3.86Å; F238-Y287 HydrophobicContact CD1-CD1 3.86Å; F238-Y287 HydrophobicContact CD1-CD2 4.06Å; F238-Y287 HydrophobicContact CD1-CE1 4.33Å; F238-Y287 AromaticContact CD1-CG 3.71Å; F238-Y287 HydrophobicContact CD1-CG 3.71Å; F238-Y287 HydrophobicContact CE1-CD1 4.14Å; F238-Y287 HydrophobicContact CE1-CD2 4.28Å; F238-Y287 AromaticContact CE1-CG 3.73Å; F238-Y287 HydrophobicContact CE1-CG 3.73Å; L241-Y287 HydrophobicContact CB-CE1 3.9Å; L241-Y287 HydrophobicContact CD1-CD1 4.07Å; L241-Y287 HydrophobicContact CD1-CE1 4.29Å; F283-Y287 WeakPolarHBondContact O-CB 3.3Å; F283-Y287 PolarHBondContact O-N 3.08Å; I284-Y287 WeakPolarHBondContact O-CB 3.4Å; I284-Y287 PolarHBondContact O-N 3.19Å; W285-Y287 VanDerWaalsContact C-N 3.34Å; Y287-C289 VanDerWaalsContact C-N 3.28Å; Y287-C289 PolarHBondContact O-N 3.19Å; Y287-S290 WeakPolarHBondContact O-CA 3.19Å; Y287-S290 WeakPolarHBondContact O-CB 3.26Å; Y287-S290 PolarHBondContact O-N 3.18Å; Y287-S290 PolarHBondContact O-OG 2.92Å; Y287-L291 HydrophobicContact CD1-CD2 4.43Å; Y287-L291 HydrophobicContact CE1-CD2 3.75Å; Y287-L291 HydrophobicContact CE1-CG 4.5Å; Y287-L291 PolarHBondContact O-N 2.92Å; Y287-F530 HydrophobicContact CD2-CB 4.28Å; Y287-F530 HydrophobicContact CE2-CB 4.37Å; Y287-F530 HydrophobicContact CE2-CD1 4.18Å; Y287-L534 HydrophobicContact CD2-CD1 4.07Å |
| 288 | L | 90.3 | Very high | 75.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -38.9 | 176.8 | -69.8 | 174.4 | 0 | 0 | 0 | 113 | L241 Y261 F264 I284 W285 S290 L291 | L241-L288 HydrophobicContact CD1-CD2 4.14Å; L241-L288 HydrophobicContact CD1-CG 4.44Å; L241-L288 HydrophobicContact CD2-CD2 4.15Å; Y261-L288 HydrophobicContact CD2-CB 4.36Å; F264-L288 HydrophobicContact CB-CD1 3.47Å; F264-L288 VanDerWaalsContact CB-CD1 3.47Å; F264-L288 HydrophobicContact CD1-CD1 4.01Å; F264-L288 HydrophobicContact CD2-CD1 4.33Å; F264-L288 HydrophobicContact CG-CD1 3.68Å; I284-L288 HydrophobicContact CG2-CD1 4.41Å; I284-L288 WeakPolarHBondContact O-CG 3.34Å; I284-L288 PolarHBondContact O-N 2.58Å; W285-L288 PolarHBondContact O-N 3.17Å; L288-S290 PolarHBondContact O-N 3.19Å; L288-L291 HydrophobicContact CD2-CD1 3.68Å; L288-L291 PolarHBondContact O-N 3.03Å |
| 289 | C | 88.2 | Confident | 73.1 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -27.3 | 175.1 | -71.5 | 0 | 0 | 0 | 0 | 112.5 | W285 L286 Y287 A307 | W285-C289 WeakPolarHBondContact O-CB 3.18Å; W285-C289 PolarHBondContact O-N 3.28Å; W285-C289 PolarHBondContact O-SG 3.32Å; L286-C289 WeakPolarHBondContact O-CB 3.43Å; L286-C289 PolarHBondContact O-N 3.13Å; Y287-C289 VanDerWaalsContact C-N 3.28Å; Y287-C289 PolarHBondContact O-N 3.19Å; C289-A307 HydrophobicContact CB-CB 3.98Å |
| 290 | S | 85.3 | Confident | 71.2 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.6 | -15.6 | -179.3 | 79.6 | 0 | 0 | 0 | 0 | 114.7 | L286 Y287 L288 N292 N293 L534 | L286-S290 PolarHBondContact O-N 3.07Å; L286-S290 VanDerWaalsContact O-N 3.12Å; Y287-S290 WeakPolarHBondContact O-CA 3.19Å; Y287-S290 WeakPolarHBondContact O-CB 3.26Å; Y287-S290 PolarHBondContact O-N 3.18Å; Y287-S290 PolarHBondContact O-OG 2.92Å; L288-S290 PolarHBondContact O-N 3.19Å; S290-N292 PolarHBondContact O-N 3.4Å; S290-N293 WeakPolarHBondContact O-CB 3.35Å; S290-N293 PolarHBondContact O-N 3.43Å; S290-L534 WeakPolarHBondContact OG-CD1 3.42Å; S290-L534 WeakPolarHBondContact OG-CD2 3.38Å |
| 291 | L | 79.1 | Confident | 69 | Low | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -51.6 | -37.2 | -175 | -72.1 | 176.6 | 0 | 0 | 0 | 112.8 | C245 F246 I252 Y287 L288 N293 Y306 | C245-L291 HydrophobicContact CB-CD1 4.04Å; C245-L291 HydrophobicContact CB-CD2 4.25Å; F246-L291 HydrophobicContact CE2-CD2 3.45Å; F246-L291 VanDerWaalsContact CE2-CD2 3.45Å; F246-L291 HydrophobicContact CZ-CD2 3.65Å; I252-L291 WeakPolarHBondContact CD1-O 3.36Å; Y287-L291 HydrophobicContact CD1-CD2 4.43Å; Y287-L291 HydrophobicContact CE1-CD2 3.75Å; Y287-L291 HydrophobicContact CE1-CG 4.5Å; Y287-L291 PolarHBondContact O-N 2.92Å; L288-L291 HydrophobicContact CD2-CD1 3.68Å; L288-L291 PolarHBondContact O-N 3.03Å; L291-N293 VanDerWaalsContact C-N 3.32Å; L291-N293 PolarHBondContact O-N 3.37Å; L291-Y306 HydrophobicContact CB-CD2 4.45Å |
| 292 | N | 64.6 | Low | 66.5 | Low | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -82.3 | 4.4 | -178.3 | -78.9 | -7.9 | 0 | 0 | 0 | 114.7 | S290 V294 I303 Y306 | S290-N292 PolarHBondContact O-N 3.4Å; N292-V294 PolarHBondContact O-N 2.89Å; N292-I303 HydrophobicContact CB-CG2 4.29Å; N292-I303 WeakPolarHBondContact O-CG2 3.19Å; N292-Y306 HydrophobicContact CB-CD2 4.23Å; N292-Y306 VanDerWaalsContact CG-CD2 3.45Å; N292-Y306 VanDerWaalsContact CG-CE2 3.44Å; N292-Y306 WeakPolarHBondContact ND2-CD2 3.33Å; N292-Y306 WeakPolarHBondContact ND2-CE2 3.3Å; N292-Y306 VanDerWaalsContact OD1-CE2 3.3Å; N292-Y306 WeakPolarHBondContact OD1-CE2 3.09Å |
| 293 | N | 55.3 | Low | 64.5 | Low | 81 Ų | 81 | 71.1 Ų | 71.1 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -73.5 | 5.9 | 177.9 | -76.7 | -24.6 | 0 | 0 | 0 | 114.9 | S290 L291 V344 | S290-N293 WeakPolarHBondContact O-CB 3.35Å; S290-N293 PolarHBondContact O-N 3.43Å; L291-N293 VanDerWaalsContact C-N 3.32Å; L291-N293 PolarHBondContact O-N 3.37Å; N293-V344 WeakPolarHBondContact ND2-CG2 3.38Å |
| 294 | V | 49.3 | Very low | 63 | Low | 96 Ų | 96 | 76.1 Ų | 76.1 | 58% | 0.582 | 38% | 0.382 | S | S | * | . | trans | -128.6 | 82 | -171 | -170.3 | 0 | 0 | 0 | 0 | 111 | N292 | N292-V294 PolarHBondContact O-N 2.89Š| ||
| 295 | S | 41.2 | Very low | 62.4 | Low | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 40% | 0.401 | S | S | . | . | trans | -177 | 102.9 | 136 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | T297 I303 | S295-T297 VanDerWaalsContact C-N 3.32Å; S295-T297 PolarHBondContact O-N 3.32Å; S295-T297 VanDerWaalsContact O-N 3.13Å; S295-I303 VanDerWaalsContact O-CD1 3.29Å; S295-I303 WeakPolarHBondContact O-CD1 3.24Å | ||
| 296 | I | 38.6 | Very low | 62.1 | Low | 178 Ų | 178 | 80.2 Ų | 80.2 | 91% | 0.913 | 40% | 0.401 | S | S | * | . | trans | -80.4 | 88.7 | 166.2 | -59 | 169.7 | 0 | 0 | 0 | 105.6 | ||||
| 297 | T | 41.7 | Very low | 62 | Low | 106 Ų | 106 | 80.3 Ų | 80.3 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | trans | -119 | 123.3 | 157.8 | -36.7 | 0 | 0 | 0 | 0 | 107.4 | S295 E299 | S295-T297 VanDerWaalsContact C-N 3.32Å; S295-T297 PolarHBondContact O-N 3.32Å; S295-T297 VanDerWaalsContact O-N 3.13Å; T297-E299 PolarHBondContact O-N 3.17Å | ||
| 298 | S | 43 | Very low | 61.9 | Low | 122 Ų | 122 | 81.8 Ų | 81.8 | 85% | 0.853 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 4.8 | -157.8 | 6.2 | 0 | 0 | 0 | 0 | 117.9 | ||
| 299 | E | 43.6 | Very low | 61.9 | Low | 183 Ų | 183 | 85.6 Ų | 85.6 | 86% | 0.855 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | 2.4 | -165.9 | -67.6 | -172.1 | 160.2 | 0 | 0 | 115.8 | T297 | T297-E299 PolarHBondContact O-N 3.17Š|
| 300 | K | 42 | Very low | 62.1 | Low | 169 Ų | 169 | 85.5 Ų | 85.5 | 74% | 0.735 | 42% | 0.424 | S | S | * | . | trans | -133.4 | 93.6 | 175.3 | -68.4 | -175.4 | -178.2 | 176.6 | 0 | 112.6 | Y302 I303 | K300-Y302 PolarHBondContact O-N 2.93Å; K300-I303 WeakPolarHBondContact O-CD1 3.26Å | ||
| 301 | K | 42.8 | Very low | 62.5 | Low | 202 Ų | 202 | 85 Ų | 85 | 88% | 0.878 | 42% | 0.421 | S | S | * | . | trans | -70.6 | 23.2 | -178.2 | -163.6 | -180 | 170 | 179.5 | 0 | 115.1 | ||||
| 302 | Y | 40.6 | Very low | 63.2 | Low | 191 Ų | 191 | 90.5 Ų | 90.5 | 75% | 0.749 | 45% | 0.447 | S | S | * | . | trans | -131.1 | 74.6 | -176 | -61.9 | -78.5 | 0 | 0 | 0 | 110.5 | K300 | K300-Y302 PolarHBondContact O-N 2.93Š| ||
| 303 | I | 50.5 | Low | 64.6 | Low | 54 Ų | 54 | 91.4 Ų | 91.4 | 28% | 0.277 | 45% | 0.451 | S | S | . | . | trans | -128 | 25.9 | -173.8 | -61.1 | 176.3 | 0 | 0 | 0 | 111 | N292 S295 K300 | N292-I303 HydrophobicContact CB-CG2 4.29Å; N292-I303 WeakPolarHBondContact O-CG2 3.19Å; S295-I303 VanDerWaalsContact O-CD1 3.29Å; S295-I303 WeakPolarHBondContact O-CD1 3.24Å; K300-I303 WeakPolarHBondContact O-CD1 3.26Å | ||
| 304 | R | 58.8 | Low | 66.5 | Low | 105 Ų | 105 | 87.5 Ų | 87.5 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | trans | -119.2 | 26.3 | 174.4 | -64.3 | -174.3 | 175.4 | 168.6 | 0.7 | 113.4 | H308 S346 D349 | R304-H308 PolarHBondContact O-CD2 3.09Å; R304-H308 PolarHBondContact O-N 2.81Å; R304-S346 PolarHBondContact NH1-OG 3.36Å; R304-D349 IonicContact CZ-OD2 3.66Å; R304-D349 IonicContact NE-OD2 3.47Å; R304-D349 IonicContact NH1-OD1 3.57Å; R304-D349 IonicContact NH1-OD2 3.86Å; R304-D349 PolarHBondContact NH1-OD2 2.95Å | ||
| 305 | E | 79.5 | Confident | 68.7 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.1 | -47 | -166.6 | -64.1 | -162.7 | -178.7 | 0 | 0 | 114.1 | H308 K309 | E305-H308 PolarHBondContact O-N 3.29Å; E305-K309 HydrophobicContact CB-CD 4.37Å; E305-K309 WeakPolarHBondContact O-CB 3.27Å; E305-K309 WeakPolarHBondContact O-CG 3.47Å; E305-K309 PolarHBondContact O-N 2.98Å; E305-K309 IonicContact OE2-NZ 4Å; E305-K309 PolarHBondContact OE2-NZ 2.96Å |
| 306 | Y | 87.5 | Confident | 71.3 | Confident | 2 Ų | 2 | 87 Ų | 87 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | -172.6 | -64.6 | -49 | 0 | 0 | 0 | 113.8 | D258 Y261 L291 N292 K309 F310 | D258-Y306 PolarHBondContact N-OH 2.82Å; D258-Y306 WeakPolarHBondContact OD1-CE1 3.38Å; D258-Y306 PolarHBondContact OD1-OH 2.77Å; Y261-Y306 AromaticContact CD1-CD1 3.57Å; Y261-Y306 HydrophobicContact CD1-CD1 3.57Å; Y261-Y306 AromaticContact CD1-CE1 3.88Å; Y261-Y306 HydrophobicContact CD1-CE1 3.88Å; Y261-Y306 AromaticContact CD2-CD1 3.42Å; Y261-Y306 HydrophobicContact CD2-CD1 3.42Å; Y261-Y306 VanDerWaalsContact CD2-CD1 3.42Å; Y261-Y306 HydrophobicContact CD2-CE1 4.14Å; Y261-Y306 AromaticContact CD2-CG 3.77Å; Y261-Y306 HydrophobicContact CD2-CG 3.77Å; Y261-Y306 AromaticContact CE1-CD1 3.85Å; Y261-Y306 HydrophobicContact CE1-CD1 3.85Å; Y261-Y306 AromaticContact CE2-CD1 3.72Å; Y261-Y306 HydrophobicContact CE2-CD1 3.72Å; Y261-Y306 AromaticContact CE2-CG 3.94Å; Y261-Y306 HydrophobicContact CE2-CG 3.94Å; Y261-Y306 AromaticContact CG-CD1 3.34Å; Y261-Y306 HydrophobicContact CG-CD1 3.34Å; Y261-Y306 AromaticContact CG-CE1 3.65Å; Y261-Y306 HydrophobicContact CG-CE1 3.65Å; Y261-Y306 HydrophobicContact CG-CG 4.14Å; Y261-Y306 AromaticContact CZ-CD1 3.91Å; Y261-Y306 PolarHBondContact OH-O 2.85Å; L291-Y306 HydrophobicContact CB-CD2 4.45Å; N292-Y306 HydrophobicContact CB-CD2 4.23Å; N292-Y306 VanDerWaalsContact CG-CD2 3.45Å; N292-Y306 VanDerWaalsContact CG-CE2 3.44Å; N292-Y306 WeakPolarHBondContact ND2-CD2 3.33Å; N292-Y306 WeakPolarHBondContact ND2-CE2 3.3Å; N292-Y306 VanDerWaalsContact OD1-CE2 3.3Å; N292-Y306 WeakPolarHBondContact OD1-CE2 3.09Å; Y306-K309 PolarHBondContact O-N 3.24Å; Y306-F310 VanDerWaalsContact O-CB 3.31Å; Y306-F310 WeakPolarHBondContact O-CB 3.5Å; Y306-F310 PolarHBondContact O-N 3.44Å |
| 307 | A | 88.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C289 F310 L311 V344 F345 | C289-A307 HydrophobicContact CB-CB 3.98Å; A307-F310 PolarHBondContact O-N 3.3Å; A307-L311 WeakPolarHBondContact O-CB 3.38Å; A307-L311 PolarHBondContact O-N 2.89Å; A307-V344 HydrophobicContact CB-CB 4.22Å; A307-V344 HydrophobicContact CB-CG1 3.68Å; A307-F345 HydrophobicContact CB-CE1 4.04Å; A307-F345 HydrophobicContact CB-CE2 4.26Å; A307-F345 HydrophobicContact CB-CZ 3.67Å |
| 308 | H | 88.8 | Confident | 76.4 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 176.6 | -77.2 | -100.2 | 0 | 0 | 0 | 112.4 | R304 E305 F310 L311 E312 D349 W353 | R304-H308 PolarHBondContact O-CD2 3.09Å; R304-H308 PolarHBondContact O-N 2.81Å; E305-H308 PolarHBondContact O-N 3.29Å; H308-F310 VanDerWaalsContact C-N 3.29Å; H308-F310 PolarHBondContact O-N 3.23Å; H308-L311 PolarHBondContact O-N 3.24Å; H308-E312 WeakPolarHBondContact O-CB 3.36Å; H308-E312 PolarHBondContact O-N 3.45Å; H308-D349 IonicContact CE1-OD1 3.79Å; H308-D349 IonicContact CE1-OD2 4Å; H308-D349 IonicContact NE2-OD1 3.89Å; H308-D349 IonicContact NE2-OD2 3.54Å; H308-D349 PolarHBondContact NE2-OD2 2.99Å; H308-W353 AromaticContact CE1-NE1 3.9Å; H308-W353 AromaticContact ND1-NE1 3.58Å |
| 309 | K | 90.7 | Very high | 78.8 | Confident | 81 Ų | 81 | 70 Ų | 70 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 174.1 | -76.5 | 171.6 | -173.6 | 169.5 | 0 | 111.4 | Y261 E305 Y306 E312 L313 | Y261-K309 HydrophobicContact CE1-CB 4.24Å; Y261-K309 HydrophobicContact CE1-CD 4.47Å; Y261-K309 WeakPolarHBondContact OH-CB 3.22Å; E305-K309 HydrophobicContact CB-CD 4.37Å; E305-K309 WeakPolarHBondContact O-CB 3.27Å; E305-K309 WeakPolarHBondContact O-CG 3.47Å; E305-K309 PolarHBondContact O-N 2.98Å; E305-K309 IonicContact OE2-NZ 4Å; E305-K309 PolarHBondContact OE2-NZ 2.96Å; Y306-K309 PolarHBondContact O-N 3.24Å; K309-E312 PolarHBondContact O-N 2.98Å; K309-L313 WeakPolarHBondContact O-CB 2.99Å; K309-L313 PolarHBondContact O-N 3.43Å |
| 310 | F | 93.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.2 | -41.4 | -179.7 | -170.6 | -122.7 | 0 | 0 | 0 | 111.1 | Y261 F268 W285 Y306 A307 H308 L313 L314 L338 | Y261-F310 WeakPolarHBondContact OH-CA 3.17Å; Y261-F310 WeakPolarHBondContact OH-CB 3.37Å; Y261-F310 PolarHBondContact OH-N 3.31Å; F268-F310 HydrophobicContact CD1-CE2 4Å; F268-F310 HydrophobicContact CD1-CZ 4.21Å; F268-F310 HydrophobicContact CD2-CE2 4.48Å; F268-F310 HydrophobicContact CD2-CZ 4.19Å; F268-F310 HydrophobicContact CE1-CE2 4.22Å; F268-F310 HydrophobicContact CE1-CZ 4.05Å; F268-F310 HydrophobicContact CE2-CZ 4.01Å; F268-F310 HydrophobicContact CG-CE2 4.15Å; F268-F310 HydrophobicContact CG-CZ 4.28Å; F268-F310 AromaticContact CZ-CZ 3.95Å; F268-F310 HydrophobicContact CZ-CZ 3.95Å; W285-F310 HydrophobicContact CB-CE1 3.96Å; W285-F310 HydrophobicContact CB-CE2 4.34Å; W285-F310 HydrophobicContact CB-CZ 3.78Å; W285-F310 AromaticContact CD1-CE2 3.65Å; W285-F310 AromaticContact CD1-CZ 3.89Å; W285-F310 HydrophobicContact CG-CE2 4.14Å; W285-F310 AromaticContact CG-CZ 3.9Å; W285-F310 HydrophobicContact CG-CZ 3.9Å; Y306-F310 VanDerWaalsContact O-CB 3.31Å; Y306-F310 WeakPolarHBondContact O-CB 3.5Å; Y306-F310 PolarHBondContact O-N 3.44Å; A307-F310 PolarHBondContact O-N 3.3Å; H308-F310 VanDerWaalsContact C-N 3.29Å; H308-F310 PolarHBondContact O-N 3.23Å; F310-L313 WeakPolarHBondContact O-CB 3.36Å; F310-L313 PolarHBondContact O-N 2.79Å; F310-L314 HydrophobicContact CD1-CD1 4.02Å; F310-L314 HydrophobicContact CE1-CD1 3.78Å; F310-L314 HydrophobicContact CE1-CG 4.4Å; F310-L314 HydrophobicContact CZ-CD1 4.2Å; F310-L314 HydrophobicContact CZ-CD2 4.48Å; F310-L314 HydrophobicContact CZ-CG 4.38Å; F310-L314 WeakPolarHBondContact O-CG 3.22Å; F310-L314 PolarHBondContact O-N 2.88Å; F310-L338 HydrophobicContact CD1-CD2 3.68Å; F310-L338 HydrophobicContact CE1-CD2 4.24Å |
| 311 | L | 93 | Very high | 83.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 175.2 | -159 | 163.9 | 0 | 0 | 0 | 111.3 | A307 H308 L314 W315 L335 L338 F345 W353 W357 | A307-L311 WeakPolarHBondContact O-CB 3.38Å; A307-L311 PolarHBondContact O-N 2.89Å; H308-L311 PolarHBondContact O-N 3.24Å; L311-L314 PolarHBondContact O-N 2.75Å; L311-W315 WeakPolarHBondContact O-CB 3.33Å; L311-W315 PolarHBondContact O-N 2.87Å; L311-L335 HydrophobicContact CD2-CD2 3.62Å; L311-L335 HydrophobicContact CG-CD2 3.78Å; L311-L335 WeakPolarHBondContact O-CD2 3.42Å; L311-L338 HydrophobicContact CB-CD2 4.3Å; L311-F345 HydrophobicContact CB-CZ 4.33Å; L311-F345 HydrophobicContact CD1-CE1 3.84Å; L311-F345 HydrophobicContact CD1-CE2 4.36Å; L311-F345 HydrophobicContact CD1-CZ 3.69Å; L311-W353 HydrophobicContact CB-CZ2 4.32Å; L311-W353 HydrophobicContact CD1-CD2 4.06Å; L311-W353 HydrophobicContact CD1-CG 3.86Å; L311-W353 HydrophobicContact CD2-CD2 3.26Å; L311-W353 VanDerWaalsContact CD2-CE2 3.46Å; L311-W353 HydrophobicContact CD2-CE3 3.32Å; L311-W353 HydrophobicContact CD2-CG 3.84Å; L311-W353 HydrophobicContact CD2-CH2 3.76Å; L311-W353 HydrophobicContact CD2-CZ2 3.71Å; L311-W353 HydrophobicContact CD2-CZ3 3.57Å; L311-W353 HydrophobicContact CG-CD2 4.24Å; L311-W353 HydrophobicContact CG-CZ2 4.43Å; L311-W357 HydrophobicContact CD2-CZ2 4.07Å |
| 312 | E | 93.5 | Very high | 85.8 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 173.1 | -175 | 173.4 | -162 | 0 | 0 | 112.1 | H308 K309 W315 L316 W353 | H308-E312 WeakPolarHBondContact O-CB 3.36Å; H308-E312 PolarHBondContact O-N 3.45Å; K309-E312 PolarHBondContact O-N 2.98Å; E312-W315 PolarHBondContact O-N 3.11Å; E312-L316 PolarHBondContact O-N 2.98Å; E312-W353 HydrophobicContact CB-CH2 4.21Å |
| 313 | L | 94.1 | Very high | 88.3 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 174.5 | 177.6 | 153.7 | 0 | 0 | 0 | 111.4 | C265 Q269 K309 F310 W315 L316 C317 | C265-L313 HydrophobicContact CB-CD1 3.86Å; Q269-L313 HydrophobicContact CG-CD2 4.08Å; K309-L313 WeakPolarHBondContact O-CB 2.99Å; K309-L313 PolarHBondContact O-N 3.43Å; F310-L313 WeakPolarHBondContact O-CB 3.36Å; F310-L313 PolarHBondContact O-N 2.79Å; L313-W315 VanDerWaalsContact C-N 3.31Å; L313-W315 PolarHBondContact O-N 3.48Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 3.4Å; L313-C317 PolarHBondContact O-N 3.04Å; L313-C317 PolarHBondContact O-SG 3.18Å |
| 314 | L | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.7 | -72.1 | 171.8 | 0 | 0 | 0 | 111.7 | F268 F310 L311 C317 V318 A331 Y334 L335 L338 | F268-L314 HydrophobicContact CE1-CD2 3.54Å; F268-L314 HydrophobicContact CZ-CD2 3.91Å; F310-L314 HydrophobicContact CD1-CD1 4.02Å; F310-L314 HydrophobicContact CE1-CD1 3.78Å; F310-L314 HydrophobicContact CE1-CG 4.4Å; F310-L314 HydrophobicContact CZ-CD1 4.2Å; F310-L314 HydrophobicContact CZ-CD2 4.48Å; F310-L314 HydrophobicContact CZ-CG 4.38Å; F310-L314 WeakPolarHBondContact O-CG 3.22Å; F310-L314 PolarHBondContact O-N 2.88Å; L311-L314 PolarHBondContact O-N 2.75Å; L314-C317 WeakPolarHBondContact O-CB 3.27Å; L314-C317 PolarHBondContact O-N 3.29Å; L314-V318 WeakPolarHBondContact O-CG2 3.4Å; L314-V318 PolarHBondContact O-N 3.19Å; L314-A331 HydrophobicContact CD2-CB 4.43Å; L314-Y334 HydrophobicContact CD2-CG 4.45Å; L314-L335 HydrophobicContact CB-CD2 3.34Å; L314-L335 HydrophobicContact CB-CG 3.71Å; L314-L335 HydrophobicContact CD1-CD2 4.04Å; L314-L335 HydrophobicContact CD1-CG 4.43Å; L314-L335 HydrophobicContact CG-CD2 4.36Å; L314-L338 HydrophobicContact CD1-CD2 4.17Å |
| 315 | W | 95.8 | Very high | 91.8 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 176.3 | 179.1 | -115.7 | 0 | 0 | 0 | 112.7 | L311 E312 L313 C317 V318 T319 L335 V356 W357 W360 M385 | L311-W315 WeakPolarHBondContact O-CB 3.33Å; L311-W315 PolarHBondContact O-N 2.87Å; E312-W315 PolarHBondContact O-N 3.11Å; L313-W315 VanDerWaalsContact C-N 3.31Å; L313-W315 PolarHBondContact O-N 3.48Å; W315-C317 VanDerWaalsContact C-N 3.31Å; W315-V318 HydrophobicContact CE3-CB 4.28Å; W315-V318 HydrophobicContact CE3-CG1 4.26Å; W315-V318 HydrophobicContact CZ3-CG1 4.01Å; W315-V318 PolarHBondContact O-N 3.39Å; W315-T319 HydrophobicContact CD2-CG2 3.97Å; W315-T319 HydrophobicContact CE3-CG2 4.26Å; W315-T319 HydrophobicContact CH2-CG2 3.79Å; W315-T319 HydrophobicContact CZ2-CG2 3.45Å; W315-T319 VanDerWaalsContact CZ2-CG2 3.45Å; W315-T319 HydrophobicContact CZ3-CG2 4.18Å; W315-T319 PolarHBondContact O-N 3.05Å; W315-T319 PolarHBondContact O-OG1 3.38Å; W315-L335 HydrophobicContact CE3-CD1 3.95Å; W315-V356 HydrophobicContact CZ2-CG1 3.91Å; W315-W357 AromaticContact CE3-CD1 3.46Å; W315-W357 VanDerWaalsContact CE3-CD1 3.46Å; W315-W357 HydrophobicContact CE3-CG 4.48Å; W315-W357 AromaticContact CE3-NE1 3.63Å; W315-W357 AromaticContact CH2-CD1 3.85Å; W315-W357 AromaticContact CZ3-CD1 3.36Å; W315-W357 HydrophobicContact CZ3-CG 4.09Å; W315-W360 HydrophobicContact CH2-CB 3.7Å; W315-W360 HydrophobicContact CH2-CD2 4.3Å; W315-W360 AromaticContact CH2-CG 3.76Å; W315-W360 HydrophobicContact CH2-CG 3.76Å; W315-W360 HydrophobicContact CZ2-CB 4.08Å; W315-W360 HydrophobicContact CZ2-CG 4.22Å; W315-M385 HydrophobicContact CZ3-CE 3.78Å; W315-M385 HydrophobicContact CZ3-SD 4.46Å |
| 316 | L | 95.3 | Very high | 92.3 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 56% | 0.56 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 171.3 | -174.5 | 65.5 | 0 | 0 | 0 | 110.1 | E312 L313 V318 T319 D320 | E312-L316 PolarHBondContact O-N 2.98Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 3.4Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 3.34Å; L316-T319 PolarHBondContact O-N 3.02Å; L316-T319 VanDerWaalsContact O-N 3.17Å; L316-T319 PolarHBondContact O-OG1 3.05Å; L316-D320 VanDerWaalsContact O-CB 3.29Å; L316-D320 WeakPolarHBondContact O-CB 3.3Å; L316-D320 PolarHBondContact O-N 3.31Å |
| 317 | C | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -38.6 | 175.5 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | L273 L313 L314 W315 I323 R328 A331 | L273-C317 HydrophobicContact CD2-CB 4.45Å; L313-C317 PolarHBondContact O-N 3.04Å; L313-C317 PolarHBondContact O-SG 3.18Å; L314-C317 WeakPolarHBondContact O-CB 3.27Å; L314-C317 PolarHBondContact O-N 3.29Å; W315-C317 VanDerWaalsContact C-N 3.31Å; C317-I323 HydrophobicContact CB-CD1 4.07Å; C317-R328 WeakPolarHBondContact O-CG 3.49Å; C317-A331 HydrophobicContact CB-CB 3.83Å |
| 318 | V | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 176.5 | 168.7 | 0 | 0 | 0 | 0 | 112 | L314 W315 L316 R328 A331 L335 L381 M385 | L314-V318 WeakPolarHBondContact O-CG2 3.4Å; L314-V318 PolarHBondContact O-N 3.19Å; W315-V318 HydrophobicContact CE3-CB 4.28Å; W315-V318 HydrophobicContact CE3-CG1 4.26Å; W315-V318 HydrophobicContact CZ3-CG1 4.01Å; W315-V318 PolarHBondContact O-N 3.39Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 3.34Å; V318-R328 PolarHBondContact O-NE 2.62Å; V318-R328 PolarHBondContact O-NH2 3.21Å; V318-A331 HydrophobicContact CG2-CB 3.69Å; V318-L335 HydrophobicContact CB-CD1 4.45Å; V318-L335 HydrophobicContact CG2-CD1 3.68Å; V318-L381 HydrophobicContact CG1-CD1 4.38Å; V318-M385 HydrophobicContact CG1-CG 4.15Å; V318-M385 HydrophobicContact CG1-SD 3.67Å; V318-M385 HydrophobicContact CG2-SD 4.37Å |
| 319 | T | 93.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -88.5 | -26.7 | -170.8 | 51.6 | 0 | 0 | 0 | 0 | 114 | W315 L316 P321 R328 | W315-T319 HydrophobicContact CD2-CG2 3.97Å; W315-T319 HydrophobicContact CE3-CG2 4.26Å; W315-T319 HydrophobicContact CH2-CG2 3.79Å; W315-T319 HydrophobicContact CZ2-CG2 3.45Å; W315-T319 VanDerWaalsContact CZ2-CG2 3.45Å; W315-T319 HydrophobicContact CZ3-CG2 4.18Å; W315-T319 PolarHBondContact O-N 3.05Å; W315-T319 PolarHBondContact O-OG1 3.38Å; L316-T319 PolarHBondContact O-N 3.02Å; L316-T319 VanDerWaalsContact O-N 3.17Å; L316-T319 PolarHBondContact O-OG1 3.05Å; T319-P321 WeakPolarHBondContact O-CD 3.28Å; T319-R328 PolarHBondContact O-NH2 3.05Å |
| 320 | D | 92.6 | Very high | 93 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | trans | -64.7 | 119.2 | -178.6 | -172.4 | -7.5 | 0 | 0 | 0 | 111.6 | L316 N322 I323 R328 | L316-D320 VanDerWaalsContact O-CB 3.29Å; L316-D320 WeakPolarHBondContact O-CB 3.3Å; L316-D320 PolarHBondContact O-N 3.31Å; D320-N322 PolarHBondContact O-N 2.89Å; D320-N322 VanDerWaalsContact OD1-CB 3.32Å; D320-N322 WeakPolarHBondContact OD1-CB 3.29Å; D320-N322 PolarHBondContact OD1-N 3.27Å; D320-N322 PolarHBondContact OD1-ND2 3.47Å; D320-I323 HydrophobicContact CB-CD1 3.94Å; D320-I323 HydrophobicContact CB-CG1 4.18Å; D320-R328 WeakPolarHBondContact O-CD 3.32Å; D320-R328 PolarHBondContact O-NE 3.19Å | ||
| 321 | P | 90.1 | Very high | 93 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 68% | 0.682 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.5 | 176.8 | 29.4 | -35.8 | 0 | 0 | 0 | 114 | T319 I323 | T319-P321 WeakPolarHBondContact O-CD 3.28Å; P321-I323 VanDerWaalsContact C-N 3.3Å |
| 322 | N | 92.8 | Very high | 93 | Very high | 141 Ų | 141 | 49.8 Ų | 49.8 | 75% | 0.754 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.6 | -179.1 | -58.8 | -58.3 | 0 | 0 | 0 | 112.9 | D320 | D320-N322 PolarHBondContact O-N 2.89Å; D320-N322 VanDerWaalsContact OD1-CB 3.32Å; D320-N322 WeakPolarHBondContact OD1-CB 3.29Å; D320-N322 PolarHBondContact OD1-N 3.27Å; D320-N322 PolarHBondContact OD1-ND2 3.47Å |
| 323 | I | 92.3 | Very high | 92.9 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -82.9 | 134.4 | 178.1 | -63.5 | 173.6 | 0 | 0 | 0 | 109.2 | C317 D320 P321 F327 R328 | C317-I323 HydrophobicContact CB-CD1 4.07Å; D320-I323 HydrophobicContact CB-CD1 3.94Å; D320-I323 HydrophobicContact CB-CG1 4.18Å; P321-I323 VanDerWaalsContact C-N 3.3Å; I323-F327 HydrophobicContact CG2-CB 3.61Å; I323-F327 HydrophobicContact CG2-CD2 4.35Å; I323-F327 HydrophobicContact CG2-CG 4.48Å; I323-R328 HydrophobicContact CB-CG 4Å; I323-R328 HydrophobicContact CG2-CG 3.76Å; I323-R328 WeakPolarHBondContact O-CD 3.43Å |
| 324 | I | 92.4 | Very high | 92.9 | Very high | 97 Ų | 97 | 42.7 Ų | 42.7 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | trans | -61.5 | 142.1 | 178.8 | 61.1 | 169.6 | 0 | 0 | 0 | 111.4 | P326 F327 R328 | I324-P326 VanDerWaalsContact C-CD 3.41Å; I324-P326 VanDerWaalsContact O-N 3.16Å; I324-F327 HydrophobicContact CD1-CD1 3.96Å; I324-F327 HydrophobicContact CD1-CD2 4.16Å; I324-F327 HydrophobicContact CD1-CE1 3.72Å; I324-F327 HydrophobicContact CD1-CE2 3.95Å; I324-F327 HydrophobicContact CD1-CG 4.16Å; I324-F327 HydrophobicContact CD1-CZ 3.73Å; I324-F327 HydrophobicContact CG1-CB 4.25Å; I324-F327 HydrophobicContact CG1-CD1 3.98Å; I324-F327 HydrophobicContact CG1-CD2 3.75Å; I324-F327 HydrophobicContact CG1-CE1 4.23Å; I324-F327 HydrophobicContact CG1-CE2 4.04Å; I324-F327 HydrophobicContact CG1-CG 3.72Å; I324-F327 HydrophobicContact CG1-CZ 4.26Å; I324-F327 PolarHBondContact O-N 3.42Å; I324-R328 PolarHBondContact O-N 3.15Å | ||
| 325 | L | 90.6 | Very high | 92.8 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 38% | 0.377 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -49.6 | -42.8 | -173.8 | 179.3 | 63.8 | 0 | 0 | 0 | 114.9 | F327 R328 S329 L381 | L325-F327 VanDerWaalsContact C-N 3.28Å; L325-F327 PolarHBondContact O-N 3.33Å; L325-R328 WeakPolarHBondContact O-CB 3.27Å; L325-R328 PolarHBondContact O-N 2.98Å; L325-S329 PolarHBondContact O-N 2.85Å; L325-S329 PolarHBondContact O-OG 2.81Å; L325-L381 HydrophobicContact CD1-CB 3.84Å |
| 326 | P | 90.1 | Very high | 92.6 | Very high | 76 Ų | 76 | 40.8 Ų | 40.8 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.4 | -38 | 178.7 | -25.9 | 36.1 | 0 | 0 | 0 | 113.7 | I324 S329 N330 | I324-P326 VanDerWaalsContact C-CD 3.41Å; I324-P326 VanDerWaalsContact O-N 3.16Å; P326-S329 PolarHBondContact O-N 3.28Å; P326-N330 PolarHBondContact O-N 3.24Å |
| 327 | F | 92.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -72.5 | -36 | -179.7 | -65.9 | 3.1 | 0 | 0 | 0 | 110.8 | L273 P274 I323 I324 L325 S329 N330 A331 | L273-F327 HydrophobicContact CD2-CB 4.49Å; P274-F327 HydrophobicContact CB-CD1 4.22Å; P274-F327 HydrophobicContact CB-CE1 3.47Å; P274-F327 VanDerWaalsContact CB-CE1 3.47Å; P274-F327 HydrophobicContact CB-CE2 4.43Å; P274-F327 HydrophobicContact CB-CZ 3.6Å; P274-F327 HydrophobicContact CG-CD1 4.46Å; P274-F327 HydrophobicContact CG-CE1 3.86Å; P274-F327 HydrophobicContact CG-CE2 3.93Å; P274-F327 HydrophobicContact CG-CZ 3.56Å; I323-F327 HydrophobicContact CG2-CB 3.61Å; I323-F327 HydrophobicContact CG2-CD2 4.35Å; I323-F327 HydrophobicContact CG2-CG 4.48Å; I324-F327 HydrophobicContact CD1-CD1 3.96Å; I324-F327 HydrophobicContact CD1-CD2 4.16Å; I324-F327 HydrophobicContact CD1-CE1 3.72Å; I324-F327 HydrophobicContact CD1-CE2 3.95Å; I324-F327 HydrophobicContact CD1-CG 4.16Å; I324-F327 HydrophobicContact CD1-CZ 3.73Å; I324-F327 HydrophobicContact CG1-CB 4.25Å; I324-F327 HydrophobicContact CG1-CD1 3.98Å; I324-F327 HydrophobicContact CG1-CD2 3.75Å; I324-F327 HydrophobicContact CG1-CE1 4.23Å; I324-F327 HydrophobicContact CG1-CE2 4.04Å; I324-F327 HydrophobicContact CG1-CG 3.72Å; I324-F327 HydrophobicContact CG1-CZ 4.26Å; I324-F327 PolarHBondContact O-N 3.42Å; L325-F327 VanDerWaalsContact C-N 3.28Å; L325-F327 PolarHBondContact O-N 3.33Å; F327-S329 VanDerWaalsContact C-N 3.35Å; F327-N330 PolarHBondContact O-N 3.07Å; F327-A331 WeakPolarHBondContact O-CB 3.4Å; F327-A331 PolarHBondContact O-N 3.09Å |
| 328 | R | 93.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 173.5 | -54.8 | 179.6 | 57.5 | -179.9 | 7.9 | 111.1 | C317 V318 T319 D320 I323 I324 L325 A331 S332 L381 | C317-R328 WeakPolarHBondContact O-CG 3.49Å; V318-R328 PolarHBondContact O-NE 2.62Å; V318-R328 PolarHBondContact O-NH2 3.21Å; T319-R328 PolarHBondContact O-NH2 3.05Å; D320-R328 WeakPolarHBondContact O-CD 3.32Å; D320-R328 PolarHBondContact O-NE 3.19Å; I323-R328 HydrophobicContact CB-CG 4Å; I323-R328 HydrophobicContact CG2-CG 3.76Å; I323-R328 WeakPolarHBondContact O-CD 3.43Å; I324-R328 PolarHBondContact O-N 3.15Å; L325-R328 WeakPolarHBondContact O-CB 3.27Å; L325-R328 PolarHBondContact O-N 2.98Å; R328-A331 PolarHBondContact O-N 2.66Å; R328-S332 PolarHBondContact O-N 3.06Å; R328-L381 HydrophobicContact CB-CD1 3.82Å; R328-L381 VanDerWaalsContact CZ-CD2 3.41Å |
| 329 | S | 91.2 | Very high | 92 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 174.1 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | L325 P326 F327 A331 S332 S333 | L325-S329 PolarHBondContact O-N 2.85Å; L325-S329 PolarHBondContact O-OG 2.81Å; P326-S329 PolarHBondContact O-N 3.28Å; F327-S329 VanDerWaalsContact C-N 3.35Å; S329-A331 VanDerWaalsContact C-N 3.33Å; S329-A331 PolarHBondContact O-N 2.96Å; S329-S332 PolarHBondContact O-N 2.96Å; S329-S332 PolarHBondContact O-OG 2.81Å; S329-S333 PolarHBondContact O-N 3.02Å |
| 330 | N | 92.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.1 | -71.3 | -9.1 | 0 | 0 | 0 | 111.5 | L273 R276 P326 F327 S332 S333 Y334 | L273-N330 HydrophobicContact CD1-CB 4Å; L273-N330 WeakPolarHBondContact O-CB 3.3Å; L273-N330 PolarHBondContact O-ND2 3.19Å; R276-N330 PolarHBondContact NH1-OD1 3.13Å; P326-N330 PolarHBondContact O-N 3.24Å; F327-N330 PolarHBondContact O-N 3.07Å; N330-S332 VanDerWaalsContact C-N 3.27Å; N330-S332 PolarHBondContact O-N 3.39Å; N330-S333 VanDerWaalsContact O-CB 3.3Å; N330-S333 WeakPolarHBondContact O-CB 3.45Å; N330-S333 PolarHBondContact O-N 3.44Å; N330-Y334 WeakPolarHBondContact O-CD2 3.31Å; N330-Y334 PolarHBondContact O-N 2.85Å |
| 331 | A | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L273 L314 C317 V318 F327 R328 S329 S333 Y334 L335 | L273-A331 HydrophobicContact CD1-CB 3.94Å; L314-A331 HydrophobicContact CD2-CB 4.43Å; C317-A331 HydrophobicContact CB-CB 3.83Å; V318-A331 HydrophobicContact CG2-CB 3.69Å; F327-A331 WeakPolarHBondContact O-CB 3.4Å; F327-A331 PolarHBondContact O-N 3.09Å; R328-A331 PolarHBondContact O-N 2.66Å; S329-A331 VanDerWaalsContact C-N 3.33Å; S329-A331 PolarHBondContact O-N 2.96Å; A331-S333 VanDerWaalsContact C-N 3.35Å; A331-S333 PolarHBondContact O-N 3.09Å; A331-Y334 PolarHBondContact O-N 3.18Å; A331-L335 WeakPolarHBondContact O-CG 3.17Å; A331-L335 PolarHBondContact O-N 3.39Å |
| 332 | S | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 175 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | R328 S329 N330 L335 A336 E384 M385 | R328-S332 PolarHBondContact O-N 3.06Å; S329-S332 PolarHBondContact O-N 2.96Å; S329-S332 PolarHBondContact O-OG 2.81Å; N330-S332 VanDerWaalsContact C-N 3.27Å; N330-S332 PolarHBondContact O-N 3.39Å; S332-L335 PolarHBondContact O-N 2.88Å; S332-A336 PolarHBondContact O-N 2.82Å; S332-A336 VanDerWaalsContact O-N 3.07Å; S332-E384 WeakPolarHBondContact OG-CB 2.94Å; S332-M385 WeakPolarHBondContact CB-SD 3.34Å |
| 333 | S | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 171.8 | -80.4 | 0 | 0 | 0 | 0 | 112 | S329 N330 A331 A336 S337 F499 | S329-S333 PolarHBondContact O-N 3.02Å; N330-S333 VanDerWaalsContact O-CB 3.3Å; N330-S333 WeakPolarHBondContact O-CB 3.45Å; N330-S333 PolarHBondContact O-N 3.44Å; A331-S333 VanDerWaalsContact C-N 3.35Å; A331-S333 PolarHBondContact O-N 3.09Å; S333-A336 PolarHBondContact O-N 3.46Å; S333-S337 WeakPolarHBondContact O-CB 3.36Å; S333-S337 PolarHBondContact O-N 2.76Å; S333-F499 WeakPolarHBondContact CB-O 3.45Å; S333-F499 PolarHBondContact OG-O 2.93Å |
| 334 | Y | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.7 | -80.8 | -78.6 | 0 | 0 | 0 | 111.9 | F268 V272 L273 P282 L314 N330 A331 A336 L338 F499 P501 F502 | F268-Y334 HydrophobicContact CE2-CD1 4.08Å; F268-Y334 AromaticContact CE2-CE1 3.77Å; F268-Y334 HydrophobicContact CE2-CE1 3.77Å; F268-Y334 HydrophobicContact CE2-CE2 4.3Å; F268-Y334 HydrophobicContact CE2-CG 4.48Å; F268-Y334 AromaticContact CE2-CZ 3.93Å; F268-Y334 AromaticContact CZ-CD1 3.86Å; F268-Y334 HydrophobicContact CZ-CD1 3.86Å; F268-Y334 AromaticContact CZ-CD2 3.82Å; F268-Y334 HydrophobicContact CZ-CD2 3.82Å; F268-Y334 AromaticContact CZ-CE1 3.93Å; F268-Y334 HydrophobicContact CZ-CE1 3.93Å; F268-Y334 AromaticContact CZ-CE2 3.93Å; F268-Y334 HydrophobicContact CZ-CE2 3.93Å; F268-Y334 AromaticContact CZ-CG 3.83Å; F268-Y334 HydrophobicContact CZ-CG 3.83Å; V272-Y334 WeakPolarHBondContact CG1-OH 3.48Å; L273-Y334 HydrophobicContact CD1-CD2 4.03Å; L273-Y334 HydrophobicContact CD1-CE2 4.29Å; P282-Y334 HydrophobicContact CB-CE1 3.96Å; P282-Y334 HydrophobicContact CG-CE1 4.05Å; L314-Y334 HydrophobicContact CD2-CG 4.45Å; N330-Y334 WeakPolarHBondContact O-CD2 3.31Å; N330-Y334 PolarHBondContact O-N 2.85Å; A331-Y334 PolarHBondContact O-N 3.18Å; Y334-A336 PolarHBondContact O-N 3.08Å; Y334-L338 WeakPolarHBondContact O-CB 3.37Å; Y334-L338 PolarHBondContact O-N 2.98Å; Y334-F499 HydrophobicContact CE2-CE1 4.25Å; Y334-P501 HydrophobicContact CD1-CB 3.94Å; Y334-P501 HydrophobicContact CD1-CG 3.64Å; Y334-P501 HydrophobicContact CD2-CG 4.33Å; Y334-P501 HydrophobicContact CE1-CB 3.56Å; Y334-P501 HydrophobicContact CE1-CG 3.45Å; Y334-P501 VanDerWaalsContact CE1-CG 3.45Å; Y334-P501 HydrophobicContact CE2-CG 4.15Å; Y334-P501 HydrophobicContact CG-CG 4.06Å; Y334-F502 AromaticContact CD1-CE2 3.81Å; Y334-F502 HydrophobicContact CD1-CE2 3.81Å; Y334-F502 HydrophobicContact CD1-CZ 4.07Å; Y334-F502 HydrophobicContact CE1-CZ 4.46Å |
| 335 | L | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 175.5 | -78 | 177.5 | 0 | 0 | 0 | 112 | L311 L314 W315 V318 A331 S332 A339 W357 | L311-L335 HydrophobicContact CD2-CD2 3.62Å; L311-L335 HydrophobicContact CG-CD2 3.78Å; L311-L335 WeakPolarHBondContact O-CD2 3.42Å; L314-L335 HydrophobicContact CB-CD2 3.34Å; L314-L335 HydrophobicContact CB-CG 3.71Å; L314-L335 HydrophobicContact CD1-CD2 4.04Å; L314-L335 HydrophobicContact CD1-CG 4.43Å; L314-L335 HydrophobicContact CG-CD2 4.36Å; W315-L335 HydrophobicContact CE3-CD1 3.95Å; V318-L335 HydrophobicContact CB-CD1 4.45Å; V318-L335 HydrophobicContact CG2-CD1 3.68Å; A331-L335 WeakPolarHBondContact O-CG 3.17Å; A331-L335 PolarHBondContact O-N 3.39Å; S332-L335 PolarHBondContact O-N 2.88Å; L335-A339 WeakPolarHBondContact O-CB 3.21Å; L335-A339 PolarHBondContact O-N 3.28Å; L335-W357 HydrophobicContact CB-CH2 4.01Å; L335-W357 HydrophobicContact CB-CZ2 3.89Å; L335-W357 HydrophobicContact CD1-CZ2 4.31Å; L335-W357 HydrophobicContact CD2-CZ2 4.05Å; L335-W357 HydrophobicContact CG-CZ2 4.33Å |
| 336 | A | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.4 | -50.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S332 S333 Y334 L338 A339 A340 A388 Y391 V392 F500 | S332-A336 PolarHBondContact O-N 2.82Å; S332-A336 VanDerWaalsContact O-N 3.07Å; S333-A336 PolarHBondContact O-N 3.46Å; Y334-A336 PolarHBondContact O-N 3.08Å; A336-L338 PolarHBondContact O-N 3.26Å; A336-A339 PolarHBondContact O-N 3.06Å; A336-A340 WeakPolarHBondContact O-CB 3.32Å; A336-A340 PolarHBondContact O-N 2.66Å; A336-A388 HydrophobicContact CB-CB 3.63Å; A336-Y391 HydrophobicContact CB-CD1 4.09Å; A336-V392 HydrophobicContact CB-CG2 4.26Å; A336-V392 VanDerWaalsContact O-CG2 3.28Å; A336-V392 WeakPolarHBondContact O-CG2 3.44Å; A336-F500 HydrophobicContact CB-CD1 4.17Å; A336-F500 HydrophobicContact CB-CE1 3.96Å |
| 337 | S | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | -176.8 | -166.6 | 0 | 0 | 0 | 0 | 110.9 | S333 A340 R341 F502 D503 | S333-S337 WeakPolarHBondContact O-CB 3.36Å; S333-S337 PolarHBondContact O-N 2.76Å; S337-A340 PolarHBondContact O-N 3.07Å; S337-R341 WeakPolarHBondContact O-CB 3.17Å; S337-R341 VanDerWaalsContact O-CG 3.28Å; S337-R341 WeakPolarHBondContact O-CG 3.44Å; S337-R341 PolarHBondContact O-N 2.88Å; S337-F502 WeakPolarHBondContact OG-CA 3.41Å; S337-F502 VanDerWaalsContact OG-CB 3.3Å; S337-F502 WeakPolarHBondContact OG-CB 3.32Å; S337-F502 PolarHBondContact OG-N 3.11Å; S337-D503 PolarHBondContact OG-OD1 2.89Å |
| 338 | L | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.2 | -50.2 | 176.3 | -176.5 | 70.8 | 0 | 0 | 0 | 112.1 | L286 F310 L311 L314 Y334 A336 A340 R341 A342 F345 F502 | L286-L338 HydrophobicContact CD1-CD1 3.9Å; F310-L338 HydrophobicContact CD1-CD2 3.68Å; F310-L338 HydrophobicContact CE1-CD2 4.24Å; L311-L338 HydrophobicContact CB-CD2 4.3Å; L314-L338 HydrophobicContact CD1-CD2 4.17Å; Y334-L338 WeakPolarHBondContact O-CB 3.37Å; Y334-L338 PolarHBondContact O-N 2.98Å; A336-L338 PolarHBondContact O-N 3.26Å; L338-A340 VanDerWaalsContact C-N 3.32Å; L338-A340 PolarHBondContact O-N 3.3Å; L338-R341 PolarHBondContact O-N 3.14Å; L338-A342 HydrophobicContact CD1-CB 3.94Å; L338-A342 WeakPolarHBondContact O-CB 3.34Å; L338-A342 PolarHBondContact O-N 3.27Å; L338-F345 HydrophobicContact CD1-CE2 4.34Å; L338-F345 HydrophobicContact CD2-CE2 4.17Å; L338-F345 HydrophobicContact CD2-CZ 4.27Å; L338-F345 HydrophobicContact CG-CE2 3.83Å; L338-F345 HydrophobicContact CG-CZ 4.43Å; L338-F502 HydrophobicContact CB-CD2 4.1Å; L338-F502 HydrophobicContact CB-CE2 3.92Å; L338-F502 HydrophobicContact CD1-CE2 4.15Å; L338-F502 HydrophobicContact CD1-CZ 4.43Å |
| 339 | A | 89.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.8 | -34.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L335 A336 W357 V392 | L335-A339 WeakPolarHBondContact O-CB 3.21Å; L335-A339 PolarHBondContact O-N 3.28Å; A336-A339 PolarHBondContact O-N 3.06Å; A339-W357 HydrophobicContact CB-CH2 3.79Å; A339-V392 HydrophobicContact CB-CG1 4.33Å; A339-V392 HydrophobicContact CB-CG2 4.09Å |
| 340 | A | 86.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.5 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A336 S337 L338 Y391 V392 F395 R396 | A336-A340 WeakPolarHBondContact O-CB 3.32Å; A336-A340 PolarHBondContact O-N 2.66Å; S337-A340 PolarHBondContact O-N 3.07Å; L338-A340 VanDerWaalsContact C-N 3.32Å; L338-A340 PolarHBondContact O-N 3.3Å; A340-Y391 HydrophobicContact CB-CD1 3.84Å; A340-Y391 HydrophobicContact CB-CE1 3.4Å; A340-V392 HydrophobicContact CB-CG2 4.23Å; A340-F395 HydrophobicContact CB-CB 3.9Å; A340-F395 HydrophobicContact CB-CG 4.2Å; A340-R396 PolarHBondContact O-NE 3.22Å; A340-R396 PolarHBondContact O-NH2 2.96Å |
| 341 | R | 84.2 | Confident | 87.2 | Confident | 8 Ų | 8 | 15.8 Ų | 15.8 | 3% | 0.03 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -102.5 | -31.6 | -164.4 | -60.7 | -71.7 | -166.6 | 143.2 | 14.5 | 114.2 | S337 L338 K343 Y391 F502 D503 Y535 N536 | S337-R341 WeakPolarHBondContact O-CB 3.17Å; S337-R341 VanDerWaalsContact O-CG 3.28Å; S337-R341 WeakPolarHBondContact O-CG 3.44Å; S337-R341 PolarHBondContact O-N 2.88Å; L338-R341 PolarHBondContact O-N 3.14Å; R341-K343 PolarHBondContact O-N 2.82Å; R341-Y391 PolarHBondContact NE-OH 2.63Å; R341-Y391 VanDerWaalsContact NE-OH 3.11Å; R341-F502 HydrophobicContact CB-CB 4.12Å; R341-F502 WeakPolarHBondContact CB-O 3.3Å; R341-F502 HydrophobicContact CG-CB 4.4Å; R341-F502 VanDerWaalsContact CG-O 3.23Å; R341-F502 WeakPolarHBondContact CG-O 3.45Å; R341-D503 VanDerWaalsContact CZ-C 3.48Å; R341-D503 VanDerWaalsContact CZ-CA 3.48Å; R341-D503 IonicContact CZ-OD2 3.42Å; R341-D503 IonicContact NE-OD1 3.09Å; R341-D503 IonicContact NE-OD2 3.42Å; R341-D503 PolarHBondContact NH1-O 3.38Å; R341-D503 VanDerWaalsContact NH2-CA 3.32Å; R341-D503 VanDerWaalsContact NH2-CB 3.29Å; R341-D503 PolarHBondContact NH2-O 2.84Å; R341-D503 VanDerWaalsContact NH2-O 3.11Å; R341-D503 IonicContact NH2-OD1 2.89Å; R341-D503 IonicContact NH2-OD2 2.75Å; R341-D503 PolarHBondContact NH2-OD2 2.9Å; R341-Y535 CarbonylContact O-C 3.56Å; R341-Y535 WeakPolarHBondContact O-CA 3.14Å; R341-Y535 WeakPolarHBondContact O-CB 3.34Å; R341-N536 WeakPolarHBondContact CD-O 3.31Å; R341-N536 PolarHBondContact NH1-O 3.4Å; R341-N536 PolarHBondContact O-N 3.09Å |
| 342 | A | 85.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 123.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L286 L338 V344 F345 R396 | L286-A342 HydrophobicContact CD1-CB 3.52Å; L338-A342 HydrophobicContact CD1-CB 3.94Å; L338-A342 WeakPolarHBondContact O-CB 3.34Å; L338-A342 PolarHBondContact O-N 3.27Å; A342-V344 PolarHBondContact O-N 3.46Å; A342-V344 VanDerWaalsContact O-N 3.15Å; A342-F345 HydrophobicContact CB-CD2 3.87Å; A342-F345 HydrophobicContact CB-CE2 3.98Å; A342-F345 PolarHBondContact O-N 3.29Å; A342-R396 PolarHBondContact O-NH2 3.31Å |
| 343 | K | 82.7 | Confident | 86.6 | Confident | 96 Ų | 96 | 20.9 Ų | 20.9 | 42% | 0.417 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.4 | 176.3 | -82.6 | 168.4 | 172.2 | 157.1 | 0 | 113.5 | R341 F345 G533 L534 Y535 N536 | R341-K343 PolarHBondContact O-N 2.82Å; K343-F345 VanDerWaalsContact C-N 3.26Å; K343-F345 PolarHBondContact O-N 3.19Å; K343-G533 WeakPolarHBondContact CD-O 3.31Å; K343-L534 WeakPolarHBondContact CB-O 3.5Å; K343-L534 PolarHBondContact N-O 2.95Å; K343-Y535 WeakPolarHBondContact CD-O 3.25Å; K343-Y535 WeakPolarHBondContact CE-O 3.41Å; K343-Y535 PolarHBondContact NZ-O 2.85Å; K343-N536 WeakPolarHBondContact CE-OD1 3.3Å; K343-N536 WeakPolarHBondContact CG-OD1 3.33Å |
| 344 | V | 81.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.036 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.8 | -178 | -168 | 0 | 0 | 0 | 0 | 112.7 | N293 A307 A342 | N293-V344 WeakPolarHBondContact ND2-CG2 3.38Å; A307-V344 HydrophobicContact CB-CB 4.22Å; A307-V344 HydrophobicContact CB-CG1 3.68Å; A342-V344 PolarHBondContact O-N 3.46Å; A342-V344 VanDerWaalsContact O-N 3.15Å |
| 345 | F | 83.2 | Confident | 86.1 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -86.6 | 128.6 | -178.5 | -62.3 | -73.6 | 0 | 0 | 0 | 111.3 | A307 L311 L338 A342 K343 D349 V350 | A307-F345 HydrophobicContact CB-CE1 4.04Å; A307-F345 HydrophobicContact CB-CE2 4.26Å; A307-F345 HydrophobicContact CB-CZ 3.67Å; L311-F345 HydrophobicContact CB-CZ 4.33Å; L311-F345 HydrophobicContact CD1-CE1 3.84Å; L311-F345 HydrophobicContact CD1-CE2 4.36Å; L311-F345 HydrophobicContact CD1-CZ 3.69Å; L338-F345 HydrophobicContact CD1-CE2 4.34Å; L338-F345 HydrophobicContact CD2-CE2 4.17Å; L338-F345 HydrophobicContact CD2-CZ 4.27Å; L338-F345 HydrophobicContact CG-CE2 3.83Å; L338-F345 HydrophobicContact CG-CZ 4.43Å; A342-F345 HydrophobicContact CB-CD2 3.87Å; A342-F345 HydrophobicContact CB-CE2 3.98Å; A342-F345 PolarHBondContact O-N 3.29Å; K343-F345 VanDerWaalsContact C-N 3.26Å; K343-F345 PolarHBondContact O-N 3.19Å; F345-D349 HydrophobicContact CB-CB 4.25Å; F345-D349 HydrophobicContact CD1-CB 4.06Å; F345-V350 HydrophobicContact CB-CG2 3.84Å |
| 346 | S | 82.4 | Confident | 86 | Confident | 34 Ų | 34 | 24.8 Ų | 24.8 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | trans | -75.9 | 161 | 167.7 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | R304 D348 D349 V350 | R304-S346 PolarHBondContact NH1-OG 3.36Å; S346-D348 PolarHBondContact O-N 2.66Å; S346-D348 VanDerWaalsContact O-N 3.12Å; S346-D349 PolarHBondContact N-OD2 2.84Å; S346-D349 WeakPolarHBondContact O-CB 3.3Å; S346-D349 PolarHBondContact O-N 2.9Å; S346-D349 PolarHBondContact OG-OD2 3.22Å; S346-V350 PolarHBondContact O-N 2.87Å; S346-V350 VanDerWaalsContact O-N 3.1Å | ||
| 347 | S | 79.5 | Confident | 86 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51.1 | -38.2 | 175.3 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | V350 I351 T403 | S347-V350 PolarHBondContact O-N 3.38Å; S347-I351 WeakPolarHBondContact O-CD1 3.49Å; S347-I351 VanDerWaalsContact O-CG1 3.23Å; S347-I351 WeakPolarHBondContact O-CG1 3.43Å; S347-I351 PolarHBondContact O-N 2.95Å; S347-T403 WeakPolarHBondContact CB-OG1 3.29Å; S347-T403 PolarHBondContact OG-OG1 3.06Å |
| 348 | D | 80.5 | Confident | 85.9 | Confident | 110 Ų | 110 | 24.9 Ų | 24.9 | 59% | 0.588 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -63.2 | -41.2 | 176.8 | -67.9 | -29.2 | 0 | 0 | 0 | 112.8 | S346 I351 S352 | S346-D348 PolarHBondContact O-N 2.66Å; S346-D348 VanDerWaalsContact O-N 3.12Å; D348-I351 PolarHBondContact O-N 3.3Å; D348-S352 WeakPolarHBondContact O-CB 3.44Å; D348-S352 PolarHBondContact O-N 3.33Å |
| 349 | D | 84.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 31.6 Ų | 31.6 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 177.3 | -63.5 | -29.4 | 0 | 0 | 0 | 110.4 | R304 H308 F345 S346 I351 S352 W353 | R304-D349 IonicContact CZ-OD2 3.66Å; R304-D349 IonicContact NE-OD2 3.47Å; R304-D349 IonicContact NH1-OD1 3.57Å; R304-D349 IonicContact NH1-OD2 3.86Å; R304-D349 PolarHBondContact NH1-OD2 2.95Å; H308-D349 IonicContact CE1-OD1 3.79Å; H308-D349 IonicContact CE1-OD2 4Å; H308-D349 IonicContact NE2-OD1 3.89Å; H308-D349 IonicContact NE2-OD2 3.54Å; H308-D349 PolarHBondContact NE2-OD2 2.99Å; F345-D349 HydrophobicContact CB-CB 4.25Å; F345-D349 HydrophobicContact CD1-CB 4.06Å; S346-D349 PolarHBondContact N-OD2 2.84Å; S346-D349 WeakPolarHBondContact O-CB 3.3Å; S346-D349 PolarHBondContact O-N 2.9Å; S346-D349 PolarHBondContact OG-OD2 3.22Å; D349-I351 PolarHBondContact O-N 3.28Å; D349-S352 WeakPolarHBondContact O-CB 3.49Å; D349-S352 PolarHBondContact O-N 3.41Å; D349-W353 PolarHBondContact O-N 2.85Å |
| 350 | V | 85.7 | Confident | 85.9 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 178.9 | 176 | 0 | 0 | 0 | 0 | 110.4 | F345 S346 S347 S352 W353 I354 V392 R396 | F345-V350 HydrophobicContact CB-CG2 3.84Å; S346-V350 PolarHBondContact O-N 2.87Å; S346-V350 VanDerWaalsContact O-N 3.1Å; S347-V350 PolarHBondContact O-N 3.38Å; V350-S352 VanDerWaalsContact C-N 3.33Å; V350-S352 PolarHBondContact O-N 2.89Å; V350-W353 PolarHBondContact O-N 3.43Å; V350-I354 HydrophobicContact CG1-CD1 3.68Å; V350-I354 HydrophobicContact CG1-CG1 4.28Å; V350-I354 WeakPolarHBondContact O-CB 3.1Å; V350-I354 VanDerWaalsContact O-CG1 3.24Å; V350-I354 WeakPolarHBondContact O-CG1 3.34Å; V350-I354 PolarHBondContact O-N 3.41Å; V350-V392 HydrophobicContact CG1-CG1 3.59Å; V350-R396 HydrophobicContact CG1-CG 4.41Å |
| 351 | I | 84.1 | Confident | 86 | Confident | 27 Ų | 27 | 33.8 Ų | 33.8 | 14% | 0.138 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 176.8 | -68.6 | 165.1 | 0 | 0 | 0 | 111.3 | S347 D348 D349 S355 I400 A423 | S347-I351 WeakPolarHBondContact O-CD1 3.49Å; S347-I351 VanDerWaalsContact O-CG1 3.23Å; S347-I351 WeakPolarHBondContact O-CG1 3.43Å; S347-I351 PolarHBondContact O-N 2.95Å; D348-I351 PolarHBondContact O-N 3.3Å; D349-I351 PolarHBondContact O-N 3.28Å; I351-S355 VanDerWaalsContact O-CB 3.32Å; I351-S355 WeakPolarHBondContact O-CB 3.48Å; I351-S355 PolarHBondContact O-N 3.4Å; I351-S355 PolarHBondContact O-OG 2.8Å; I351-I400 HydrophobicContact CD1-CG1 4.39Å; I351-I400 HydrophobicContact CD1-CG2 3.92Å; I351-I400 HydrophobicContact CG1-CD1 4.23Å; I351-I400 HydrophobicContact CG1-CG1 4.31Å; I351-I400 HydrophobicContact CG1-CG2 4.37Å; I351-A423 HydrophobicContact CG2-CB 3.69Å |
| 352 | S | 86.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 35 Ų | 35 | 50% | 0.503 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | D348 D349 V350 S355 V356 | D348-S352 WeakPolarHBondContact O-CB 3.44Å; D348-S352 PolarHBondContact O-N 3.33Å; D349-S352 WeakPolarHBondContact O-CB 3.49Å; D349-S352 PolarHBondContact O-N 3.41Å; V350-S352 VanDerWaalsContact C-N 3.33Å; V350-S352 PolarHBondContact O-N 2.89Å; S352-S355 WeakPolarHBondContact O-CB 3.42Å; S352-S355 PolarHBondContact O-N 2.88Å; S352-V356 PolarHBondContact O-N 2.55Å; S352-V356 VanDerWaalsContact O-N 3.16Å |
| 353 | W | 89.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 179.3 | -77 | 116.3 | 0 | 0 | 0 | 113.2 | H308 L311 E312 D349 V350 S355 V356 W357 | H308-W353 AromaticContact CE1-NE1 3.9Å; H308-W353 AromaticContact ND1-NE1 3.58Å; L311-W353 HydrophobicContact CB-CZ2 4.32Å; L311-W353 HydrophobicContact CD1-CD2 4.06Å; L311-W353 HydrophobicContact CD1-CG 3.86Å; L311-W353 HydrophobicContact CD2-CD2 3.26Å; L311-W353 VanDerWaalsContact CD2-CE2 3.46Å; L311-W353 HydrophobicContact CD2-CE3 3.32Å; L311-W353 HydrophobicContact CD2-CG 3.84Å; L311-W353 HydrophobicContact CD2-CH2 3.76Å; L311-W353 HydrophobicContact CD2-CZ2 3.71Å; L311-W353 HydrophobicContact CD2-CZ3 3.57Å; L311-W353 HydrophobicContact CG-CD2 4.24Å; L311-W353 HydrophobicContact CG-CZ2 4.43Å; E312-W353 HydrophobicContact CB-CH2 4.21Å; D349-W353 PolarHBondContact O-N 2.85Å; V350-W353 PolarHBondContact O-N 3.43Å; W353-S355 PolarHBondContact O-N 2.94Å; W353-V356 WeakPolarHBondContact O-CB 3.38Å; W353-V356 PolarHBondContact O-N 3.25Å; W353-W357 HydrophobicContact CB-CZ2 4.21Å; W353-W357 PolarHBondContact O-N 3.07Å |
| 354 | I | 88.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.6 | -40.6 | 174.3 | -67.8 | 170.2 | 0 | 0 | 0 | 110.3 | V350 V356 W357 V358 V389 V392 L427 | V350-I354 HydrophobicContact CG1-CD1 3.68Å; V350-I354 HydrophobicContact CG1-CG1 4.28Å; V350-I354 WeakPolarHBondContact O-CB 3.1Å; V350-I354 VanDerWaalsContact O-CG1 3.24Å; V350-I354 WeakPolarHBondContact O-CG1 3.34Å; V350-I354 PolarHBondContact O-N 3.41Å; I354-V356 VanDerWaalsContact C-N 3.3Å; I354-V356 PolarHBondContact O-N 2.9Å; I354-W357 HydrophobicContact CG1-CE3 4.48Å; I354-W357 HydrophobicContact CG1-CZ3 4.49Å; I354-W357 PolarHBondContact O-N 3.41Å; I354-V358 HydrophobicContact CG2-CG2 4.01Å; I354-V358 WeakPolarHBondContact O-CB 3.41Å; I354-V358 VanDerWaalsContact O-CG2 3.32Å; I354-V358 WeakPolarHBondContact O-CG2 3.38Å; I354-V358 PolarHBondContact O-N 2.92Å; I354-V389 HydrophobicContact CG2-CG1 4.25Å; I354-V392 HydrophobicContact CD1-CB 4.24Å; I354-V392 HydrophobicContact CD1-CG1 3.65Å; I354-V392 HydrophobicContact CG1-CG1 4.16Å; I354-L427 HydrophobicContact CG2-CD1 3.45Å; I354-L427 VanDerWaalsContact CG2-CD1 3.45Å; I354-L427 HydrophobicContact CG2-CD2 4.13Å; I354-L427 HydrophobicContact CG2-CG 4.45Å |
| 355 | S | 86.5 | Confident | 86.6 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | I351 S352 W353 K359 | I351-S355 VanDerWaalsContact O-CB 3.32Å; I351-S355 WeakPolarHBondContact O-CB 3.48Å; I351-S355 PolarHBondContact O-N 3.4Å; I351-S355 PolarHBondContact O-OG 2.8Å; S352-S355 WeakPolarHBondContact O-CB 3.42Å; S352-S355 PolarHBondContact O-N 2.88Å; W353-S355 PolarHBondContact O-N 2.94Å; S355-K359 WeakPolarHBondContact O-CB 3.43Å; S355-K359 WeakPolarHBondContact O-CD 3.49Å; S355-K359 WeakPolarHBondContact O-CG 3.47Å; S355-K359 PolarHBondContact O-N 3.4Å; S355-K359 VanDerWaalsContact O-N 3.08Å |
| 356 | V | 90.7 | Very high | 86.7 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 174 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | W315 S352 W353 I354 V358 K359 W360 | W315-V356 HydrophobicContact CZ2-CG1 3.91Å; S352-V356 PolarHBondContact O-N 2.55Å; S352-V356 VanDerWaalsContact O-N 3.16Å; W353-V356 WeakPolarHBondContact O-CB 3.38Å; W353-V356 PolarHBondContact O-N 3.25Å; I354-V356 VanDerWaalsContact C-N 3.3Å; I354-V356 PolarHBondContact O-N 2.9Å; V356-V358 PolarHBondContact O-N 3.13Å; V356-K359 PolarHBondContact O-N 3.44Å; V356-W360 PolarHBondContact O-N 2.96Å; V356-W360 VanDerWaalsContact O-N 3.1Å |
| 357 | W | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | -178.3 | -55.5 | -16.6 | 0 | 0 | 0 | 112.3 | L311 W315 L335 A339 W353 I354 W360 L361 M385 V389 V392 | L311-W357 HydrophobicContact CD2-CZ2 4.07Å; W315-W357 AromaticContact CE3-CD1 3.46Å; W315-W357 VanDerWaalsContact CE3-CD1 3.46Å; W315-W357 HydrophobicContact CE3-CG 4.48Å; W315-W357 AromaticContact CE3-NE1 3.63Å; W315-W357 AromaticContact CH2-CD1 3.85Å; W315-W357 AromaticContact CZ3-CD1 3.36Å; W315-W357 HydrophobicContact CZ3-CG 4.09Å; L335-W357 HydrophobicContact CB-CH2 4.01Å; L335-W357 HydrophobicContact CB-CZ2 3.89Å; L335-W357 HydrophobicContact CD1-CZ2 4.31Å; L335-W357 HydrophobicContact CD2-CZ2 4.05Å; L335-W357 HydrophobicContact CG-CZ2 4.33Å; A339-W357 HydrophobicContact CB-CH2 3.79Å; W353-W357 HydrophobicContact CB-CZ2 4.21Å; W353-W357 PolarHBondContact O-N 3.07Å; I354-W357 HydrophobicContact CG1-CE3 4.48Å; I354-W357 HydrophobicContact CG1-CZ3 4.49Å; I354-W357 PolarHBondContact O-N 3.41Å; W357-W360 WeakPolarHBondContact O-CB 3.35Å; W357-W360 PolarHBondContact O-N 3.02Å; W357-W360 VanDerWaalsContact O-N 3.17Å; W357-L361 WeakPolarHBondContact O-CG 3.36Å; W357-L361 PolarHBondContact O-N 3.32Å; W357-M385 HydrophobicContact CB-CE 3.8Å; W357-M385 HydrophobicContact CD2-CE 4.14Å; W357-M385 HydrophobicContact CE3-CE 4.5Å; W357-M385 HydrophobicContact CG-CE 3.81Å; W357-V389 HydrophobicContact CB-CG2 4.16Å; W357-V389 HydrophobicContact CE3-CG2 4.15Å; W357-V392 HydrophobicContact CZ3-CG2 4.02Å |
| 358 | V | 88.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 178.4 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | I354 V356 W360 L361 H362 V389 L427 L429 L432 | I354-V358 HydrophobicContact CG2-CG2 4.01Å; I354-V358 WeakPolarHBondContact O-CB 3.41Å; I354-V358 VanDerWaalsContact O-CG2 3.32Å; I354-V358 WeakPolarHBondContact O-CG2 3.38Å; I354-V358 PolarHBondContact O-N 2.92Å; V356-V358 PolarHBondContact O-N 3.13Å; V358-W360 VanDerWaalsContact C-N 3.25Å; V358-W360 PolarHBondContact O-N 3.09Å; V358-L361 PolarHBondContact O-N 3.36Å; V358-H362 VanDerWaalsContact CG1-CD2 3.45Å; V358-H362 WeakPolarHBondContact CG1-CD2 3.29Å; V358-H362 WeakPolarHBondContact CG1-NE2 3.3Å; V358-H362 PolarHBondContact O-CD2 2.89Å; V358-H362 PolarHBondContact O-N 3.4Å; V358-V389 HydrophobicContact CG2-CG1 3.91Å; V358-V389 HydrophobicContact CG2-CG2 4.02Å; V358-L427 HydrophobicContact CB-CD2 3.93Å; V358-L427 HydrophobicContact CG1-CB 3.97Å; V358-L427 HydrophobicContact CG1-CD2 4.13Å; V358-L427 WeakPolarHBondContact CG1-O 3.33Å; V358-L427 HydrophobicContact CG2-CB 4.35Å; V358-L427 HydrophobicContact CG2-CD1 4.42Å; V358-L427 HydrophobicContact CG2-CD2 4.03Å; V358-L427 HydrophobicContact CG2-CG 4.49Å; V358-L429 HydrophobicContact CG2-CD2 4.09Å; V358-L432 HydrophobicContact CG1-CD1 4.36Å |
| 359 | K | 89.3 | Confident | 85.4 | Confident | 141 Ų | 141 | 54.2 Ų | 54.2 | 61% | 0.613 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.8 | -39.5 | 171.2 | -77.9 | 170.2 | -175.6 | 174.6 | 0 | 111.6 | S355 V356 R363 | S355-K359 WeakPolarHBondContact O-CB 3.43Å; S355-K359 WeakPolarHBondContact O-CD 3.49Å; S355-K359 WeakPolarHBondContact O-CG 3.47Å; S355-K359 PolarHBondContact O-N 3.4Å; S355-K359 VanDerWaalsContact O-N 3.08Å; V356-K359 PolarHBondContact O-N 3.44Å; K359-R363 WeakPolarHBondContact O-CB 3.28Å; K359-R363 PolarHBondContact O-N 2.96Å |
| 360 | W | 91.7 | Very high | 84.1 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 174.4 | -178.4 | 94.8 | 0 | 0 | 0 | 111.7 | W315 V356 W357 V358 H362 R363 Y364 L381 M385 | W315-W360 HydrophobicContact CH2-CB 3.7Å; W315-W360 HydrophobicContact CH2-CD2 4.3Å; W315-W360 AromaticContact CH2-CG 3.76Å; W315-W360 HydrophobicContact CH2-CG 3.76Å; W315-W360 HydrophobicContact CZ2-CB 4.08Å; W315-W360 HydrophobicContact CZ2-CG 4.22Å; V356-W360 PolarHBondContact O-N 2.96Å; V356-W360 VanDerWaalsContact O-N 3.1Å; W357-W360 WeakPolarHBondContact O-CB 3.35Å; W357-W360 PolarHBondContact O-N 3.02Å; W357-W360 VanDerWaalsContact O-N 3.17Å; V358-W360 VanDerWaalsContact C-N 3.25Å; V358-W360 PolarHBondContact O-N 3.09Å; W360-H362 PolarHBondContact O-N 2.81Å; W360-R363 WeakPolarHBondContact O-CB 3.23Å; W360-R363 PolarHBondContact O-N 2.73Å; W360-Y364 HydrophobicContact CH2-CD2 4.16Å; W360-Y364 HydrophobicContact CZ2-CD2 4.37Å; W360-Y364 PolarHBondContact O-N 3.11Å; W360-L381 HydrophobicContact CH2-CD2 3.99Å; W360-L381 HydrophobicContact CH2-CG 4.11Å; W360-L381 HydrophobicContact CZ2-CD2 4.15Å; W360-M385 HydrophobicContact CE3-CG 4.39Å; W360-M385 HydrophobicContact CZ3-CB 4.05Å; W360-M385 HydrophobicContact CZ3-CG 3.9Å |
| 361 | L | 88.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 176.6 | -72.3 | 170 | 0 | 0 | 0 | 112.6 | W357 V358 R363 Y364 L365 F382 M385 V389 L432 | W357-L361 WeakPolarHBondContact O-CG 3.36Å; W357-L361 PolarHBondContact O-N 3.32Å; V358-L361 PolarHBondContact O-N 3.36Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.8Å; L361-Y364 WeakPolarHBondContact O-CB 3.18Å; L361-Y364 PolarHBondContact O-N 2.91Å; L361-L365 PolarHBondContact O-N 3.28Å; L361-F382 HydrophobicContact CB-CE2 4.45Å; L361-F382 HydrophobicContact CD2-CD2 3.52Å; L361-F382 HydrophobicContact CD2-CE2 3.72Å; L361-F382 HydrophobicContact CD2-CG 4.37Å; L361-M385 HydrophobicContact CD2-CB 3.78Å; L361-M385 HydrophobicContact CG-CB 4.41Å; L361-V389 HydrophobicContact CD1-CG2 4Å; L361-L432 HydrophobicContact CB-CD1 4.32Å; L361-L432 HydrophobicContact CB-CD2 3.82Å; L361-L432 HydrophobicContact CD1-CD1 3.87Å |
| 362 | H | 86.5 | Confident | 81.3 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | 176 | -74.6 | -59.2 | 0 | 0 | 0 | 112.6 | V358 W360 L365 K366 L427 | V358-H362 VanDerWaalsContact CG1-CD2 3.45Å; V358-H362 WeakPolarHBondContact CG1-CD2 3.29Å; V358-H362 WeakPolarHBondContact CG1-NE2 3.3Å; V358-H362 PolarHBondContact O-CD2 2.89Å; V358-H362 PolarHBondContact O-N 3.4Å; W360-H362 PolarHBondContact O-N 2.81Å; H362-L365 PolarHBondContact O-N 3.48Å; H362-K366 PolarHBondContact O-N 2.85Å; H362-L427 PolarHBondContact NE2-O 2.85Å |
| 363 | R | 88.8 | Confident | 79.8 | Confident | 164 Ų | 164 | 74 Ų | 74 | 62% | 0.619 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 173.8 | -172.4 | -175.1 | -54.4 | -177.4 | 3 | 111.2 | K359 W360 L361 K366 N367 | K359-R363 WeakPolarHBondContact O-CB 3.28Å; K359-R363 PolarHBondContact O-N 2.96Å; W360-R363 WeakPolarHBondContact O-CB 3.23Å; W360-R363 PolarHBondContact O-N 2.73Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.8Å; R363-K366 PolarHBondContact O-N 2.99Å; R363-N367 VanDerWaalsContact O-CG 3.29Å; R363-N367 PolarHBondContact O-N 3.02Å; R363-N367 VanDerWaalsContact O-N 3.11Å |
| 364 | Y | 87.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 79 Ų | 79 | 17% | 0.173 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.2 | -50 | 174.5 | -174.7 | -87.7 | 0 | 0 | 0 | 110.5 | W360 L361 K366 N367 Q368 Q378 H379 F382 L437 | W360-Y364 HydrophobicContact CH2-CD2 4.16Å; W360-Y364 HydrophobicContact CZ2-CD2 4.37Å; W360-Y364 PolarHBondContact O-N 3.11Å; L361-Y364 WeakPolarHBondContact O-CB 3.18Å; L361-Y364 PolarHBondContact O-N 2.91Å; Y364-K366 PolarHBondContact O-N 3.45Å; Y364-N367 PolarHBondContact O-N 3.42Å; Y364-N367 VanDerWaalsContact O-N 3.16Å; Y364-Q368 HydrophobicContact CD1-CG 4.09Å; Y364-Q368 HydrophobicContact CE1-CG 3.82Å; Y364-Q368 WeakPolarHBondContact O-CG 3.4Å; Y364-Q368 PolarHBondContact O-N 3.48Å; Y364-Q378 PolarHBondContact OH-O 2.64Å; Y364-H379 AromaticContact CE1-ND1 3.7Å; Y364-H379 AromaticContact CZ-ND1 3.69Å; Y364-H379 PolarHBondContact OH-ND1 3.28Å; Y364-F382 HydrophobicContact CD1-CB 3.89Å; Y364-F382 AromaticContact CD1-CD2 3.39Å; Y364-F382 HydrophobicContact CD1-CD2 3.39Å; Y364-F382 HydrophobicContact CD1-CE2 4.16Å; Y364-F382 AromaticContact CD1-CG 3.82Å; Y364-F382 HydrophobicContact CD1-CG 3.82Å; Y364-F382 HydrophobicContact CE1-CB 3.58Å; Y364-F382 AromaticContact CE1-CD2 3.89Å; Y364-F382 HydrophobicContact CE1-CD2 3.89Å; Y364-F382 AromaticContact CE1-CG 3.82Å; Y364-F382 HydrophobicContact CE1-CG 3.82Å; Y364-F382 HydrophobicContact CG-CD2 4.07Å; Y364-L437 HydrophobicContact CE1-CD1 4.24Å |
| 365 | L | 84.7 | Confident | 77.1 | Confident | 14 Ų | 14 | 84 Ų | 84 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58 | -47 | 177.6 | -72.4 | 176.4 | 0 | 0 | 0 | 112.8 | L361 H362 N367 Q368 F382 L432 C435 L437 | L361-L365 PolarHBondContact O-N 3.28Å; H362-L365 PolarHBondContact O-N 3.48Å; L365-N367 PolarHBondContact O-N 3.07Å; L365-Q368 PolarHBondContact O-N 3.46Å; L365-F382 HydrophobicContact CD1-CE2 4.36Å; L365-F382 HydrophobicContact CD1-CZ 4.42Å; L365-F382 HydrophobicContact CD2-CE2 3.83Å; L365-F382 HydrophobicContact CD2-CZ 3.76Å; L365-F382 HydrophobicContact CG-CE2 3.84Å; L365-F382 HydrophobicContact CG-CZ 4.15Å; L365-L432 HydrophobicContact CD1-CD2 3.64Å; L365-C435 HydrophobicContact CD1-CB 4.14Å; L365-C435 HydrophobicContact CD2-CB 4.04Å; L365-L437 HydrophobicContact CD2-CD1 3.83Å; L365-L437 HydrophobicContact CD2-CG 4.44Å |
| 366 | K | 84.8 | Confident | 76.1 | Confident | 143 Ų | 143 | 85 Ų | 85 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.6 | -32.6 | 178.8 | -171.4 | -177.8 | 179.1 | -175.3 | 0 | 112.8 | H362 R363 Y364 Q368 | H362-K366 PolarHBondContact O-N 2.85Å; R363-K366 PolarHBondContact O-N 2.99Å; Y364-K366 PolarHBondContact O-N 3.45Å; K366-Q368 VanDerWaalsContact C-N 3.25Å; K366-Q368 PolarHBondContact O-N 3.43Å |
| 367 | N | 82.7 | Confident | 75.1 | Confident | 114 Ų | 114 | 90.4 Ų | 90.4 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.7 | 179.4 | -68.1 | -6.3 | 0 | 0 | 0 | 113.1 | R363 Y364 L365 | R363-N367 VanDerWaalsContact O-CG 3.29Å; R363-N367 PolarHBondContact O-N 3.02Å; R363-N367 VanDerWaalsContact O-N 3.11Å; Y364-N367 PolarHBondContact O-N 3.42Å; Y364-N367 VanDerWaalsContact O-N 3.16Å; L365-N367 PolarHBondContact O-N 3.07Å |
| 368 | Q | 74.5 | Confident | 74.3 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 18.6 | -173.7 | -62.5 | -68.1 | -87.2 | 0 | 0 | 112 | Y364 L365 K366 D370 I371 H379 | Y364-Q368 HydrophobicContact CD1-CG 4.09Å; Y364-Q368 HydrophobicContact CE1-CG 3.82Å; Y364-Q368 WeakPolarHBondContact O-CG 3.4Å; Y364-Q368 PolarHBondContact O-N 3.48Å; L365-Q368 PolarHBondContact O-N 3.46Å; K366-Q368 VanDerWaalsContact C-N 3.25Å; K366-Q368 PolarHBondContact O-N 3.43Å; Q368-D370 PolarHBondContact O-N 2.89Å; Q368-I371 HydrophobicContact CB-CD1 3.86Å; Q368-I371 HydrophobicContact CG-CD1 4.13Å; Q368-I371 PolarHBondContact O-N 3.48Å; Q368-H379 PolarHBondContact OE1-CE1 3.02Å |
| 369 | D | 57.4 | Low | 74 | Confident | 123 Ų | 123 | 95.7 Ų | 95.7 | 66% | 0.658 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -8.2 | -173.8 | -77.4 | -23.2 | 0 | 0 | 0 | 114.7 | ||
| 370 | D | 57.2 | Low | 73.8 | Confident | 162 Ų | 162 | 90.1 Ų | 90.1 | 87% | 0.866 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 9 | -176.2 | -101.1 | -28.2 | 0 | 0 | 0 | 116.4 | Q368 K372 | Q368-D370 PolarHBondContact O-N 2.89Å; D370-K372 PolarHBondContact O-N 3Å |
| 371 | I | 56.5 | Low | 73.7 | Confident | 60 Ų | 60 | 88.5 Ų | 88.5 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | trans | -96.6 | 95.3 | -164.9 | -54.8 | 178.4 | 0 | 0 | 0 | 112.5 | Q368 H373 | Q368-I371 HydrophobicContact CB-CD1 3.86Å; Q368-I371 HydrophobicContact CG-CD1 4.13Å; Q368-I371 PolarHBondContact O-N 3.48Å; I371-H373 WeakPolarHBondContact CG2-O 3.16Å; I371-H373 PolarHBondContact O-N 3.12Å | ||
| 372 | K | 55.3 | Low | 73.8 | Confident | 196 Ų | 196 | 88.5 Ų | 88.5 | 85% | 0.852 | 42% | 0.415 | S | S | * | . | trans | -71.8 | -3.9 | 170.3 | -66.5 | -176.9 | -178.9 | 176.6 | 0 | 114.2 | D370 | D370-K372 PolarHBondContact O-N 3Š| ||
| 373 | H | 55.2 | Low | 73.9 | Confident | 127 Ų | 127 | 87.1 Ų | 87.1 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | trans | -116.4 | 107.2 | -172.6 | -64.3 | -63 | 0 | 0 | 0 | 112.6 | I371 H375 | I371-H373 WeakPolarHBondContact CG2-O 3.16Å; I371-H373 PolarHBondContact O-N 3.12Å; H373-H375 VanDerWaalsContact C-N 3.26Å; H373-H375 PolarHBondContact O-N 2.91Å | ||
| 374 | Q | 58.5 | Low | 73.9 | Confident | 138 Ų | 138 | 79.8 Ų | 79.8 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | trans | -77.4 | 54.9 | -178.3 | -63.9 | 177 | -24.3 | 0 | 0 | 113.3 | R376 | Q374-R376 PolarHBondContact O-N 3.3Š| ||
| 375 | H | 62.5 | Low | 74.1 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | trans | -85.1 | 108.5 | 175.2 | -68.1 | -61.1 | 0 | 0 | 0 | 110.4 | H373 Q377 Q378 | H373-H375 VanDerWaalsContact C-N 3.26Å; H373-H375 PolarHBondContact O-N 2.91Å; H375-Q377 PolarHBondContact O-N 3.42Å; H375-Q378 HydrophobicContact CB-CG 4.11Å; H375-Q378 WeakPolarHBondContact O-CB 3.29Å; H375-Q378 PolarHBondContact O-N 2.86Å | ||
| 376 | R | 65.4 | Low | 74.3 | Confident | 48 Ų | 48 | 77 Ų | 77 | 18% | 0.181 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -45.4 | -41 | 179.9 | -173.6 | -173.8 | -175 | -141.6 | -3.6 | 113.3 | Q374 Q378 H379 S380 Y383 F442 Q494 R495 S496 | Q374-R376 PolarHBondContact O-N 3.3Å; R376-Q378 PolarHBondContact O-N 3.26Å; R376-H379 CarbonylContact O-C 3.46Å; R376-H379 PolarHBondContact O-N 3.01Å; R376-S380 PolarHBondContact O-N 3.43Å; R376-Y383 HydrophobicContact CG-CD2 4.15Å; R376-Y383 HydrophobicContact CG-CE2 4.03Å; R376-F442 HydrophobicContact CB-CD1 4.25Å; R376-F442 HydrophobicContact CB-CE1 3.67Å; R376-F442 HydrophobicContact CB-CZ 4.18Å; R376-F442 VanDerWaalsContact CD-CD1 3.43Å; R376-F442 HydrophobicContact CG-CD1 3.58Å; R376-F442 HydrophobicContact CG-CE1 3.54Å; R376-F442 HydrophobicContact CG-CG 4.34Å; R376-F442 HydrophobicContact CG-CZ 4.31Å; R376-Q494 WeakPolarHBondContact CD-O 3.48Å; R376-Q494 PolarHBondContact NE-O 2.89Å; R376-Q494 PolarHBondContact NH1-O 3.43Å; R376-R495 PolarHBondContact NH1-O 3.29Å; R376-R495 PolarHBondContact NH2-O 2.92Å; R376-S496 VanDerWaalsContact NH2-CA 3.31Å |
| 377 | Q | 69 | Low | 74.6 | Confident | 167 Ų | 167 | 70.3 Ų | 70.3 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.4 | -31.9 | -176.9 | -67.5 | 178.5 | -12.9 | 0 | 0 | 112.9 | H375 H379 | H375-Q377 PolarHBondContact O-N 3.42Å; Q377-H379 VanDerWaalsContact C-N 3.34Å |
| 378 | Q | 75.4 | Confident | 74.9 | Confident | 113 Ų | 113 | 65 Ų | 65 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -73.7 | -29 | -179.8 | -64.6 | 177.7 | -12.9 | 0 | 0 | 112.2 | Y364 H375 R376 | Y364-Q378 PolarHBondContact OH-O 2.64Å; H375-Q378 HydrophobicContact CB-CG 4.11Å; H375-Q378 WeakPolarHBondContact O-CB 3.29Å; H375-Q378 PolarHBondContact O-N 2.86Å; R376-Q378 PolarHBondContact O-N 3.26Å |
| 379 | H | 83.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -111.4 | 16.8 | -177.6 | -53.5 | -60 | 0 | 0 | 0 | 112.9 | Y364 Q368 R376 Q377 L381 F382 Y383 | Y364-H379 AromaticContact CE1-ND1 3.7Å; Y364-H379 AromaticContact CZ-ND1 3.69Å; Y364-H379 PolarHBondContact OH-ND1 3.28Å; Q368-H379 PolarHBondContact OE1-CE1 3.02Å; R376-H379 CarbonylContact O-C 3.46Å; R376-H379 PolarHBondContact O-N 3.01Å; Q377-H379 VanDerWaalsContact C-N 3.34Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-L381 PolarHBondContact O-N 2.93Å; H379-F382 HydrophobicContact CB-CB 4.4Å; H379-F382 WeakPolarHBondContact O-CB 3.24Å; H379-F382 PolarHBondContact O-N 2.71Å; H379-Y383 HydrophobicContact CB-CD2 4.25Å; H379-Y383 HydrophobicContact CB-CE2 3.65Å; H379-Y383 WeakPolarHBondContact O-CD2 3.41Å; H379-Y383 PolarHBondContact O-N 3.48Å |
| 380 | S | 85.2 | Confident | 76.9 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -48 | -173.7 | -163 | 0 | 0 | 0 | 0 | 112 | R376 F382 Y383 E384 | R376-S380 PolarHBondContact O-N 3.43Å; S380-F382 VanDerWaalsContact C-N 3.3Å; S380-F382 PolarHBondContact O-N 3.25Å; S380-Y383 PolarHBondContact O-N 3.35Å; S380-E384 WeakPolarHBondContact O-CG 3.32Å; S380-E384 PolarHBondContact O-N 3.01Å |
| 381 | L | 89.2 | Confident | 78.2 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -35.2 | 179.3 | -171.9 | 64.5 | 0 | 0 | 0 | 112.7 | V318 L325 R328 W360 H379 Y383 E384 M385 | V318-L381 HydrophobicContact CG1-CD1 4.38Å; L325-L381 HydrophobicContact CD1-CB 3.84Å; R328-L381 HydrophobicContact CB-CD1 3.82Å; R328-L381 VanDerWaalsContact CZ-CD2 3.41Å; W360-L381 HydrophobicContact CH2-CD2 3.99Å; W360-L381 HydrophobicContact CH2-CG 4.11Å; W360-L381 HydrophobicContact CZ2-CD2 4.15Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-L381 PolarHBondContact O-N 2.93Å; L381-Y383 VanDerWaalsContact C-N 3.34Å; L381-E384 PolarHBondContact O-N 3.06Å; L381-M385 WeakPolarHBondContact O-CB 3.43Å; L381-M385 WeakPolarHBondContact O-CG 3.23Å; L381-M385 PolarHBondContact O-N 3.1Å |
| 382 | F | 89.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.2 | 168.7 | -93.2 | 0 | 0 | 0 | 110.7 | L361 Y364 L365 H379 S380 M385 C386 L437 P439 | L361-F382 HydrophobicContact CB-CE2 4.45Å; L361-F382 HydrophobicContact CD2-CD2 3.52Å; L361-F382 HydrophobicContact CD2-CE2 3.72Å; L361-F382 HydrophobicContact CD2-CG 4.37Å; Y364-F382 HydrophobicContact CD1-CB 3.89Å; Y364-F382 AromaticContact CD1-CD2 3.39Å; Y364-F382 HydrophobicContact CD1-CD2 3.39Å; Y364-F382 HydrophobicContact CD1-CE2 4.16Å; Y364-F382 AromaticContact CD1-CG 3.82Å; Y364-F382 HydrophobicContact CD1-CG 3.82Å; Y364-F382 HydrophobicContact CE1-CB 3.58Å; Y364-F382 AromaticContact CE1-CD2 3.89Å; Y364-F382 HydrophobicContact CE1-CD2 3.89Å; Y364-F382 AromaticContact CE1-CG 3.82Å; Y364-F382 HydrophobicContact CE1-CG 3.82Å; Y364-F382 HydrophobicContact CG-CD2 4.07Å; L365-F382 HydrophobicContact CD1-CE2 4.36Å; L365-F382 HydrophobicContact CD1-CZ 4.42Å; L365-F382 HydrophobicContact CD2-CE2 3.83Å; L365-F382 HydrophobicContact CD2-CZ 3.76Å; L365-F382 HydrophobicContact CG-CE2 3.84Å; L365-F382 HydrophobicContact CG-CZ 4.15Å; H379-F382 HydrophobicContact CB-CB 4.4Å; H379-F382 WeakPolarHBondContact O-CB 3.24Å; H379-F382 PolarHBondContact O-N 2.71Å; S380-F382 VanDerWaalsContact C-N 3.3Å; S380-F382 PolarHBondContact O-N 3.25Å; F382-M385 PolarHBondContact O-N 3.27Å; F382-C386 PolarHBondContact O-N 3.2Å; F382-C386 PolarHBondContact O-SG 2.89Å; F382-C386 VanDerWaalsContact O-SG 3.41Å; F382-L437 HydrophobicContact CD1-CB 4.48Å; F382-L437 HydrophobicContact CD1-CD1 3.87Å; F382-L437 HydrophobicContact CE1-CB 3.97Å; F382-L437 HydrophobicContact CE1-CD1 3.81Å; F382-L437 HydrophobicContact CG-CD1 4.36Å; F382-L437 HydrophobicContact CZ-CD1 4.24Å; F382-P439 HydrophobicContact CE1-CB 4.24Å; F382-P439 HydrophobicContact CE1-CG 4.5Å |
| 383 | Y | 88.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.9 | -60.4 | -47.9 | 0 | 0 | 0 | 112.7 | R376 H379 S380 L381 M385 C386 Q387 L437 P439 F442 | R376-Y383 HydrophobicContact CG-CD2 4.15Å; R376-Y383 HydrophobicContact CG-CE2 4.03Å; H379-Y383 HydrophobicContact CB-CD2 4.25Å; H379-Y383 HydrophobicContact CB-CE2 3.65Å; H379-Y383 WeakPolarHBondContact O-CD2 3.41Å; H379-Y383 PolarHBondContact O-N 3.48Å; S380-Y383 PolarHBondContact O-N 3.35Å; L381-Y383 VanDerWaalsContact C-N 3.34Å; Y383-M385 PolarHBondContact O-N 3.34Å; Y383-C386 PolarHBondContact O-N 3Å; Y383-Q387 WeakPolarHBondContact O-CB 3.29Å; Y383-Q387 PolarHBondContact O-N 2.82Å; Y383-L437 HydrophobicContact CE1-CB 4.14Å; Y383-L437 VanDerWaalsContact CE1-O 3.3Å; Y383-L437 WeakPolarHBondContact CE1-O 3.47Å; Y383-L437 PolarHBondContact OH-O 3.14Å; Y383-P439 HydrophobicContact CD1-CB 4.03Å; Y383-P439 HydrophobicContact CE1-CB 4.46Å; Y383-F442 HydrophobicContact CD1-CB 4.11Å; Y383-F442 AromaticContact CD1-CD2 3.96Å; Y383-F442 HydrophobicContact CD1-CD2 3.96Å; Y383-F442 HydrophobicContact CD1-CG 4.37Å; Y383-F442 HydrophobicContact CD2-CB 4.06Å; Y383-F442 HydrophobicContact CD2-CD2 4.15Å; Y383-F442 HydrophobicContact CD2-CG 4.08Å; Y383-F442 HydrophobicContact CE1-CB 4.49Å; Y383-F442 AromaticContact CE1-CD2 3.47Å; Y383-F442 HydrophobicContact CE1-CD2 3.47Å; Y383-F442 VanDerWaalsContact CE1-CD2 3.47Å; Y383-F442 AromaticContact CE1-CE2 3.97Å; Y383-F442 HydrophobicContact CE1-CE2 3.97Å; Y383-F442 HydrophobicContact CE1-CG 4.28Å; Y383-F442 HydrophobicContact CE2-CB 4.44Å; Y383-F442 AromaticContact CE2-CD2 3.69Å; Y383-F442 HydrophobicContact CE2-CD2 3.69Å; Y383-F442 AromaticContact CE2-CE2 3.9Å; Y383-F442 HydrophobicContact CE2-CE2 3.9Å; Y383-F442 AromaticContact CE2-CG 3.98Å; Y383-F442 HydrophobicContact CE2-CG 3.98Å; Y383-F442 HydrophobicContact CE2-CZ 4.34Å; Y383-F442 HydrophobicContact CG-CB 3.88Å; Y383-F442 HydrophobicContact CG-CD2 4.27Å; Y383-F442 HydrophobicContact CG-CG 4.29Å; Y383-F442 AromaticContact CZ-CD2 3.32Å; Y383-F442 AromaticContact CZ-CE2 3.43Å; Y383-F442 VanDerWaalsContact CZ-CE2 3.43Å; Y383-F442 WeakPolarHBondContact OH-CE2 3.39Å |
| 384 | E | 89.5 | Confident | 81.8 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 177.1 | -62.9 | -57.1 | 147.2 | 0 | 0 | 112 | S332 S380 L381 Q387 A388 S496 | S332-E384 WeakPolarHBondContact OG-CB 2.94Å; S380-E384 WeakPolarHBondContact O-CG 3.32Å; S380-E384 PolarHBondContact O-N 3.01Å; L381-E384 PolarHBondContact O-N 3.06Å; E384-Q387 WeakPolarHBondContact O-CB 3.2Å; E384-Q387 PolarHBondContact O-N 3.24Å; E384-A388 WeakPolarHBondContact O-CB 3.35Å; E384-A388 PolarHBondContact O-N 3.4Å; E384-S496 VanDerWaalsContact CD-OG 3.24Å; E384-S496 VanDerWaalsContact OE1-CB 3.24Å; E384-S496 WeakPolarHBondContact OE1-CB 3.47Å; E384-S496 PolarHBondContact OE1-OG 2.88Å; E384-S496 PolarHBondContact OE2-OG 3.48Å; E384-S496 VanDerWaalsContact OE2-OG 3.06Å |
| 385 | M | 91.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.5 | -33.9 | 175.6 | -75.5 | -56.6 | -51.8 | 0 | 0 | 113.1 | W315 V318 S332 W357 W360 L361 L381 F382 Y383 A388 V389 | W315-M385 HydrophobicContact CZ3-CE 3.78Å; W315-M385 HydrophobicContact CZ3-SD 4.46Å; V318-M385 HydrophobicContact CG1-CG 4.15Å; V318-M385 HydrophobicContact CG1-SD 3.67Å; V318-M385 HydrophobicContact CG2-SD 4.37Å; S332-M385 WeakPolarHBondContact CB-SD 3.34Å; W357-M385 HydrophobicContact CB-CE 3.8Å; W357-M385 HydrophobicContact CD2-CE 4.14Å; W357-M385 HydrophobicContact CE3-CE 4.5Å; W357-M385 HydrophobicContact CG-CE 3.81Å; W360-M385 HydrophobicContact CE3-CG 4.39Å; W360-M385 HydrophobicContact CZ3-CB 4.05Å; W360-M385 HydrophobicContact CZ3-CG 3.9Å; L361-M385 HydrophobicContact CD2-CB 3.78Å; L361-M385 HydrophobicContact CG-CB 4.41Å; L381-M385 WeakPolarHBondContact O-CB 3.43Å; L381-M385 WeakPolarHBondContact O-CG 3.23Å; L381-M385 PolarHBondContact O-N 3.1Å; F382-M385 PolarHBondContact O-N 3.27Å; Y383-M385 PolarHBondContact O-N 3.34Å; M385-A388 WeakPolarHBondContact O-CB 3.43Å; M385-A388 PolarHBondContact O-N 3.49Å; M385-V389 WeakPolarHBondContact O-CG2 3.35Å; M385-V389 PolarHBondContact O-N 2.71Å; M385-V389 VanDerWaalsContact O-N 3.08Å |
| 386 | C | 89.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 169.7 | -76.3 | 0 | 0 | 0 | 0 | 111.1 | F382 Y383 A388 V389 F390 P439 | F382-C386 PolarHBondContact O-N 3.2Å; F382-C386 PolarHBondContact O-SG 2.89Å; F382-C386 VanDerWaalsContact O-SG 3.41Å; Y383-C386 PolarHBondContact O-N 3Å; C386-A388 VanDerWaalsContact C-N 3.3Å; C386-A388 PolarHBondContact O-N 2.94Å; C386-V389 PolarHBondContact O-N 3.31Å; C386-F390 HydrophobicContact CB-CE2 4.03Å; C386-F390 HydrophobicContact CB-CZ 4.25Å; C386-F390 VanDerWaalsContact O-CD2 3.26Å; C386-F390 WeakPolarHBondContact O-CD2 3.41Å; C386-F390 WeakPolarHBondContact O-CG 3.38Å; C386-F390 PolarHBondContact O-N 3.46Å; C386-P439 HydrophobicContact CB-CB 3.76Å; C386-P439 HydrophobicContact CB-CG 4.44Å |
| 387 | Q | 89.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 175.2 | 179 | 168.7 | -66.8 | 0 | 0 | 111.6 | Y383 E384 V389 F390 Y391 C443 V447 F500 | Y383-Q387 WeakPolarHBondContact O-CB 3.29Å; Y383-Q387 PolarHBondContact O-N 2.82Å; E384-Q387 WeakPolarHBondContact O-CB 3.2Å; E384-Q387 PolarHBondContact O-N 3.24Å; Q387-V389 PolarHBondContact O-N 3.31Å; Q387-F390 PolarHBondContact O-N 3.15Å; Q387-Y391 VanDerWaalsContact O-CB 3.29Å; Q387-Y391 WeakPolarHBondContact O-CB 3.13Å; Q387-Y391 PolarHBondContact O-N 2.87Å; Q387-C443 HydrophobicContact CB-CB 4.31Å; Q387-V447 HydrophobicContact CG-CG1 4.38Å; Q387-F500 HydrophobicContact CG-CZ 3.91Å |
| 388 | A | 90.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 2% | 0.017 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A336 E384 M385 C386 Y391 V392 | A336-A388 HydrophobicContact CB-CB 3.63Å; E384-A388 WeakPolarHBondContact O-CB 3.35Å; E384-A388 PolarHBondContact O-N 3.4Å; M385-A388 WeakPolarHBondContact O-CB 3.43Å; M385-A388 PolarHBondContact O-N 3.49Å; C386-A388 VanDerWaalsContact C-N 3.3Å; C386-A388 PolarHBondContact O-N 2.94Å; A388-Y391 PolarHBondContact O-N 3.38Å; A388-V392 WeakPolarHBondContact O-CG2 3.45Å; A388-V392 PolarHBondContact O-N 2.91Å; A388-V392 VanDerWaalsContact O-N 3.13Å |
| 389 | V | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I354 W357 V358 L361 M385 C386 Q387 Y391 V392 V393 L429 | I354-V389 HydrophobicContact CG2-CG1 4.25Å; W357-V389 HydrophobicContact CB-CG2 4.16Å; W357-V389 HydrophobicContact CE3-CG2 4.15Å; V358-V389 HydrophobicContact CG2-CG1 3.91Å; V358-V389 HydrophobicContact CG2-CG2 4.02Å; L361-V389 HydrophobicContact CD1-CG2 4Å; M385-V389 WeakPolarHBondContact O-CG2 3.35Å; M385-V389 PolarHBondContact O-N 2.71Å; M385-V389 VanDerWaalsContact O-N 3.08Å; C386-V389 PolarHBondContact O-N 3.31Å; Q387-V389 PolarHBondContact O-N 3.31Å; V389-Y391 VanDerWaalsContact C-N 3.32Å; V389-Y391 PolarHBondContact O-N 2.96Å; V389-V392 PolarHBondContact O-N 2.97Å; V389-V393 HydrophobicContact CG1-CG2 4.37Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.41Å; V389-V393 PolarHBondContact O-N 3.49Å; V389-L429 HydrophobicContact CG1-CD2 3.96Å |
| 390 | F | 84.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 179.9 | -61.5 | -24.9 | 0 | 0 | 0 | 111.8 | C386 Q387 V393 V394 V433 P439 L440 V447 F451 | C386-F390 HydrophobicContact CB-CE2 4.03Å; C386-F390 HydrophobicContact CB-CZ 4.25Å; C386-F390 VanDerWaalsContact O-CD2 3.26Å; C386-F390 WeakPolarHBondContact O-CD2 3.41Å; C386-F390 WeakPolarHBondContact O-CG 3.38Å; C386-F390 PolarHBondContact O-N 3.46Å; Q387-F390 PolarHBondContact O-N 3.15Å; F390-V393 PolarHBondContact O-N 2.92Å; F390-V394 VanDerWaalsContact O-CG2 3.29Å; F390-V394 WeakPolarHBondContact O-CG2 3.36Å; F390-V394 PolarHBondContact O-N 2.72Å; F390-V433 HydrophobicContact CE1-CG2 4.25Å; F390-V433 HydrophobicContact CZ-CG2 4.01Å; F390-P439 HydrophobicContact CE2-CB 4.47Å; F390-P439 HydrophobicContact CE2-CG 4.47Å; F390-P439 HydrophobicContact CZ-CG 4.39Å; F390-L440 HydrophobicContact CD2-CD2 4.07Å; F390-L440 HydrophobicContact CE2-CD2 3.65Å; F390-L440 HydrophobicContact CZ-CD2 4.31Å; F390-V447 HydrophobicContact CB-CG1 3.95Å; F390-F451 HydrophobicContact CB-CB 4.17Å; F390-F451 HydrophobicContact CB-CD2 3.81Å; F390-F451 HydrophobicContact CB-CE2 4.38Å; F390-F451 HydrophobicContact CB-CG 3.93Å; F390-F451 HydrophobicContact CD1-CD1 4.09Å; F390-F451 AromaticContact CD1-CD2 3.87Å; F390-F451 HydrophobicContact CD1-CD2 3.87Å; F390-F451 AromaticContact CD1-CE1 3.84Å; F390-F451 HydrophobicContact CD1-CE1 3.84Å; F390-F451 AromaticContact CD1-CE2 3.61Å; F390-F451 HydrophobicContact CD1-CE2 3.61Å; F390-F451 HydrophobicContact CD1-CG 4.11Å; F390-F451 AromaticContact CD1-CZ 3.59Å; F390-F451 HydrophobicContact CD1-CZ 3.59Å; F390-F451 HydrophobicContact CE1-CD1 4.45Å; F390-F451 AromaticContact CE1-CE1 3.91Å; F390-F451 HydrophobicContact CE1-CE1 3.91Å; F390-F451 HydrophobicContact CE1-CE2 4.3Å; F390-F451 AromaticContact CE1-CZ 3.82Å; F390-F451 HydrophobicContact CE1-CZ 3.82Å; F390-F451 HydrophobicContact CG-CD1 4.2Å; F390-F451 HydrophobicContact CG-CD2 4.06Å; F390-F451 HydrophobicContact CG-CE1 4.41Å; F390-F451 HydrophobicContact CG-CE2 4.27Å; F390-F451 HydrophobicContact CG-CG 4.02Å; F390-F451 HydrophobicContact CG-CZ 4.44Å |
| 391 | Y | 85.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 177.4 | 179.9 | -91.4 | 0 | 0 | 0 | 112.2 | A336 A340 R341 Q387 A388 V389 V393 V394 F395 V447 F500 D503 Y575 | A336-Y391 HydrophobicContact CB-CD1 4.09Å; A340-Y391 HydrophobicContact CB-CD1 3.84Å; A340-Y391 HydrophobicContact CB-CE1 3.4Å; R341-Y391 PolarHBondContact NE-OH 2.63Å; R341-Y391 VanDerWaalsContact NE-OH 3.11Å; Q387-Y391 VanDerWaalsContact O-CB 3.29Å; Q387-Y391 WeakPolarHBondContact O-CB 3.13Å; Q387-Y391 PolarHBondContact O-N 2.87Å; A388-Y391 PolarHBondContact O-N 3.38Å; V389-Y391 VanDerWaalsContact C-N 3.32Å; V389-Y391 PolarHBondContact O-N 2.96Å; Y391-V393 VanDerWaalsContact C-N 3.31Å; Y391-V393 PolarHBondContact O-N 2.65Å; Y391-V394 PolarHBondContact O-N 3.11Å; Y391-F395 HydrophobicContact CD1-CD2 4.3Å; Y391-F395 HydrophobicContact CD2-CD2 4.21Å; Y391-F395 HydrophobicContact CD2-CE2 4.12Å; Y391-F395 AromaticContact CE1-CD2 3.83Å; Y391-F395 HydrophobicContact CE1-CD2 3.83Å; Y391-F395 HydrophobicContact CE1-CE2 4.1Å; Y391-F395 AromaticContact CE2-CD2 3.77Å; Y391-F395 HydrophobicContact CE2-CD2 3.77Å; Y391-F395 AromaticContact CE2-CE2 3.35Å; Y391-F395 HydrophobicContact CE2-CE2 3.35Å; Y391-F395 HydrophobicContact CE2-CZ 4.34Å; Y391-F395 HydrophobicContact CG-CD2 4.45Å; Y391-F395 AromaticContact CZ-CD2 3.51Å; Y391-F395 AromaticContact CZ-CE2 3.29Å; Y391-F395 PolarHBondContact O-N 3.11Å; Y391-F395 VanDerWaalsContact O-N 3.12Å; Y391-F395 WeakPolarHBondContact OH-CE2 3.16Å; Y391-V447 HydrophobicContact CD2-CG2 4.26Å; Y391-F500 AromaticContact CD1-CD1 3.8Å; Y391-F500 HydrophobicContact CD1-CD1 3.8Å; Y391-F500 AromaticContact CD1-CE1 3.8Å; Y391-F500 HydrophobicContact CD1-CE1 3.8Å; Y391-F500 AromaticContact CD2-CD1 3.75Å; Y391-F500 HydrophobicContact CD2-CD1 3.75Å; Y391-F500 AromaticContact CD2-CD2 3.8Å; Y391-F500 HydrophobicContact CD2-CD2 3.8Å; Y391-F500 AromaticContact CD2-CE1 3.5Å; Y391-F500 HydrophobicContact CD2-CE1 3.5Å; Y391-F500 AromaticContact CD2-CE2 3.55Å; Y391-F500 HydrophobicContact CD2-CE2 3.55Å; Y391-F500 AromaticContact CD2-CG 3.88Å; Y391-F500 HydrophobicContact CD2-CG 3.88Å; Y391-F500 AromaticContact CD2-CZ 3.39Å; Y391-F500 HydrophobicContact CD2-CZ 3.39Å; Y391-F500 AromaticContact CE1-CD1 3.91Å; Y391-F500 HydrophobicContact CE1-CD1 3.91Å; Y391-F500 HydrophobicContact CE1-CE1 4.36Å; Y391-F500 HydrophobicContact CE1-CG 4.28Å; Y391-F500 HydrophobicContact CE2-CB 4.16Å; Y391-F500 AromaticContact CE2-CD1 3.84Å; Y391-F500 HydrophobicContact CE2-CD1 3.84Å; Y391-F500 AromaticContact CE2-CD2 3.63Å; Y391-F500 HydrophobicContact CE2-CD2 3.63Å; Y391-F500 HydrophobicContact CE2-CE1 4.09Å; Y391-F500 AromaticContact CE2-CE2 3.9Å; Y391-F500 HydrophobicContact CE2-CE2 3.9Å; Y391-F500 AromaticContact CE2-CG 3.59Å; Y391-F500 HydrophobicContact CE2-CG 3.59Å; Y391-F500 HydrophobicContact CE2-CZ 4.11Å; Y391-F500 AromaticContact CG-CD1 3.74Å; Y391-F500 HydrophobicContact CG-CD1 3.74Å; Y391-F500 AromaticContact CG-CE1 3.35Å; Y391-F500 HydrophobicContact CG-CE1 3.35Å; Y391-F500 HydrophobicContact CG-CE2 4.27Å; Y391-F500 HydrophobicContact CG-CG 4.34Å; Y391-F500 AromaticContact CG-CZ 3.64Å; Y391-F500 HydrophobicContact CG-CZ 3.64Å; Y391-F500 AromaticContact CZ-CD1 3.96Å; Y391-F500 AromaticContact CZ-CG 3.86Å; Y391-D503 PolarHBondContact OH-OD1 3.29Å; Y391-D503 PolarHBondContact OH-OD2 3.15Å; Y391-Y575 HydrophobicContact CE2-CD2 4.4Å; Y391-Y575 HydrophobicContact CE2-CE1 4.39Å; Y391-Y575 AromaticContact CE2-CE2 3.9Å; Y391-Y575 HydrophobicContact CE2-CE2 3.9Å; Y391-Y575 AromaticContact CE2-CZ 3.89Å |
| 392 | V | 85 | Confident | 78.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | A336 A339 A340 V350 I354 W357 A388 V389 F395 R396 | A336-V392 HydrophobicContact CB-CG2 4.26Å; A336-V392 VanDerWaalsContact O-CG2 3.28Å; A336-V392 WeakPolarHBondContact O-CG2 3.44Å; A339-V392 HydrophobicContact CB-CG1 4.33Å; A339-V392 HydrophobicContact CB-CG2 4.09Å; A340-V392 HydrophobicContact CB-CG2 4.23Å; V350-V392 HydrophobicContact CG1-CG1 3.59Å; I354-V392 HydrophobicContact CD1-CB 4.24Å; I354-V392 HydrophobicContact CD1-CG1 3.65Å; I354-V392 HydrophobicContact CG1-CG1 4.16Å; W357-V392 HydrophobicContact CZ3-CG2 4.02Å; A388-V392 WeakPolarHBondContact O-CG2 3.45Å; A388-V392 PolarHBondContact O-N 2.91Å; A388-V392 VanDerWaalsContact O-N 3.13Å; V389-V392 PolarHBondContact O-N 2.97Å; V392-F395 PolarHBondContact O-N 2.94Å; V392-R396 HydrophobicContact CG1-CG 4.46Å; V392-R396 PolarHBondContact O-N 3.49Å |
| 393 | V | 80 | Confident | 77.1 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | V389 F390 Y391 F395 C397 L424 L429 F451 | V389-V393 HydrophobicContact CG1-CG2 4.37Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.41Å; V389-V393 PolarHBondContact O-N 3.49Å; F390-V393 PolarHBondContact O-N 2.92Å; Y391-V393 VanDerWaalsContact C-N 3.31Å; Y391-V393 PolarHBondContact O-N 2.65Å; V393-F395 VanDerWaalsContact C-N 3.33Å; V393-F395 PolarHBondContact O-N 2.77Å; V393-C397 WeakPolarHBondContact O-CA 3.48Å; V393-C397 WeakPolarHBondContact O-CB 3.45Å; V393-C397 PolarHBondContact O-N 3.01Å; V393-L424 HydrophobicContact CG2-CD2 4.37Å; V393-L429 HydrophobicContact CG2-CD1 4.4Å; V393-F451 HydrophobicContact CB-CD2 4.46Å; V393-F451 HydrophobicContact CB-CE2 4.24Å; V393-F451 HydrophobicContact CG1-CD2 4.31Å; V393-F451 HydrophobicContact CG1-CE2 3.94Å |
| 394 | V | 78.1 | Confident | 74.9 | Confident | 8 Ų | 8 | 26.9 Ų | 26.9 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 177.7 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | F390 Y391 N450 F451 V454 F573 | F390-V394 VanDerWaalsContact O-CG2 3.29Å; F390-V394 WeakPolarHBondContact O-CG2 3.36Å; F390-V394 PolarHBondContact O-N 2.72Å; Y391-V394 PolarHBondContact O-N 3.11Å; V394-N450 HydrophobicContact CG1-CB 3.87Å; V394-N450 HydrophobicContact CG2-CB 4.16Å; V394-F451 VanDerWaalsContact CG2-CA 3.41Å; V394-F451 HydrophobicContact CG2-CB 3.8Å; V394-F451 HydrophobicContact CG2-CD2 4.3Å; V394-V454 HydrophobicContact CG1-CG2 4.33Å; V394-V454 HydrophobicContact CG2-CG2 4.36Å; V394-F573 HydrophobicContact CG1-CE1 4.34Å; V394-F573 HydrophobicContact CG1-CZ 3.93Å |
| 395 | F | 74.7 | Confident | 72.4 | Confident | 21 Ų | 21 | 33.8 Ų | 33.8 | 9% | 0.092 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.9 | -45.7 | -176.3 | -93.6 | -88.5 | 0 | 0 | 0 | 113.8 | A340 Y391 V392 V393 Y538 F573 Y575 | A340-F395 HydrophobicContact CB-CB 3.9Å; A340-F395 HydrophobicContact CB-CG 4.2Å; Y391-F395 HydrophobicContact CD1-CD2 4.3Å; Y391-F395 HydrophobicContact CD2-CD2 4.21Å; Y391-F395 HydrophobicContact CD2-CE2 4.12Å; Y391-F395 AromaticContact CE1-CD2 3.83Å; Y391-F395 HydrophobicContact CE1-CD2 3.83Å; Y391-F395 HydrophobicContact CE1-CE2 4.1Å; Y391-F395 AromaticContact CE2-CD2 3.77Å; Y391-F395 HydrophobicContact CE2-CD2 3.77Å; Y391-F395 AromaticContact CE2-CE2 3.35Å; Y391-F395 HydrophobicContact CE2-CE2 3.35Å; Y391-F395 HydrophobicContact CE2-CZ 4.34Å; Y391-F395 HydrophobicContact CG-CD2 4.45Å; Y391-F395 AromaticContact CZ-CD2 3.51Å; Y391-F395 AromaticContact CZ-CE2 3.29Å; Y391-F395 PolarHBondContact O-N 3.11Å; Y391-F395 VanDerWaalsContact O-N 3.12Å; Y391-F395 WeakPolarHBondContact OH-CE2 3.16Å; V392-F395 PolarHBondContact O-N 2.94Å; V393-F395 VanDerWaalsContact C-N 3.33Å; V393-F395 PolarHBondContact O-N 2.77Å; F395-Y538 AromaticContact CD1-CD2 3.66Å; F395-Y538 HydrophobicContact CD1-CD2 3.66Å; F395-Y538 HydrophobicContact CD1-CE2 4.34Å; F395-Y538 AromaticContact CE1-CD2 3.33Å; F395-Y538 HydrophobicContact CE1-CD2 3.33Å; F395-Y538 HydrophobicContact CE1-CE2 4.23Å; F395-Y538 AromaticContact CE1-CG 3.89Å; F395-Y538 HydrophobicContact CE1-CG 3.89Å; F395-Y538 HydrophobicContact CG-CD2 4.48Å; F395-Y538 AromaticContact CZ-CD2 3.92Å; F395-Y538 HydrophobicContact CZ-CD2 3.92Å; F395-Y538 HydrophobicContact CZ-CG 4.35Å; F395-F573 HydrophobicContact CE2-CD1 4.14Å; F395-F573 AromaticContact CE2-CE1 3.64Å; F395-F573 HydrophobicContact CE2-CE1 3.64Å; F395-F573 AromaticContact CZ-CD1 3.71Å; F395-F573 HydrophobicContact CZ-CD1 3.71Å; F395-F573 AromaticContact CZ-CE1 3.63Å; F395-F573 HydrophobicContact CZ-CE1 3.63Å; F395-Y575 HydrophobicContact CE2-CE2 4.21Å; F395-Y575 HydrophobicContact CZ-CE2 4.47Å |
| 396 | R | 74.4 | Confident | 69.7 | Low | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -96.4 | 2.2 | -172.1 | -67.4 | -72.8 | -173.2 | 143.8 | 11.3 | 113.6 | A340 A342 V350 V392 K398 E399 I400 N536 | A340-R396 PolarHBondContact O-NE 3.22Å; A340-R396 PolarHBondContact O-NH2 2.96Å; A342-R396 PolarHBondContact O-NH2 3.31Å; V350-R396 HydrophobicContact CG1-CG 4.41Å; V392-R396 HydrophobicContact CG1-CG 4.46Å; V392-R396 PolarHBondContact O-N 3.49Å; R396-K398 VanDerWaalsContact C-N 3.33Å; R396-K398 PolarHBondContact O-N 3.49Å; R396-E399 WeakPolarHBondContact CD-OE2 3.21Å; R396-E399 IonicContact CZ-OE2 3.58Å; R396-E399 IonicContact NE-OE2 2.66Å; R396-E399 IonicContact NH1-OE1 3.36Å; R396-E399 IonicContact NH1-OE2 3.75Å; R396-E399 PolarHBondContact NH1-OE2 3.46Å; R396-E399 PolarHBondContact O-N 3.02Å; R396-I400 HydrophobicContact CB-CD1 3.79Å; R396-I400 HydrophobicContact CB-CG1 4.2Å; R396-I400 VanDerWaalsContact O-CB 3.31Å; R396-I400 WeakPolarHBondContact O-CB 3.26Å; R396-I400 WeakPolarHBondContact O-CD1 3.42Å; R396-I400 WeakPolarHBondContact O-CG1 3.14Å; R396-I400 PolarHBondContact O-N 2.98Å; R396-N536 PolarHBondContact NH1-ND2 3.49Å; R396-N536 VanDerWaalsContact NH1-ND2 3.11Å |
| 397 | C | 69.5 | Low | 67 | Low | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -43.8 | -177.5 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | V393 A401 V454 | V393-C397 WeakPolarHBondContact O-CA 3.48Å; V393-C397 WeakPolarHBondContact O-CB 3.45Å; V393-C397 PolarHBondContact O-N 3.01Å; C397-A401 VanDerWaalsContact O-CB 3.24Å; C397-A401 WeakPolarHBondContact O-CB 3.04Å; C397-A401 PolarHBondContact O-N 3.16Å; C397-V454 HydrophobicContact CB-CG1 3.69Å |
| 398 | K | 66.3 | Low | 64.4 | Low | 137 Ų | 137 | 45.4 Ų | 45.4 | 60% | 0.596 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.3 | -47.1 | 179.3 | -69.2 | -177 | 179.8 | 177.9 | 0 | 111.2 | R396 A401 A402 | R396-K398 VanDerWaalsContact C-N 3.33Å; R396-K398 PolarHBondContact O-N 3.49Å; K398-A401 WeakPolarHBondContact O-CB 3.41Å; K398-A401 PolarHBondContact O-N 3.24Å; K398-A402 WeakPolarHBondContact O-CB 3.27Å; K398-A402 PolarHBondContact O-N 2.96Å |
| 399 | E | 66.2 | Low | 61.8 | Low | 67 Ų | 67 | 54.8 Ų | 54.8 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 179.4 | -65.9 | 179.7 | -159.4 | 0 | 0 | 112.2 | R396 A401 A402 T403 N536 | R396-E399 WeakPolarHBondContact CD-OE2 3.21Å; R396-E399 IonicContact CZ-OE2 3.58Å; R396-E399 IonicContact NE-OE2 2.66Å; R396-E399 IonicContact NH1-OE1 3.36Å; R396-E399 IonicContact NH1-OE2 3.75Å; R396-E399 PolarHBondContact NH1-OE2 3.46Å; R396-E399 PolarHBondContact O-N 3.02Å; E399-A401 PolarHBondContact O-N 2.69Å; E399-A402 PolarHBondContact O-N 2.97Å; E399-T403 PolarHBondContact O-N 3.42Å; E399-T403 VanDerWaalsContact O-N 3.12Å; E399-T403 PolarHBondContact O-OG1 3.47Å; E399-N536 PolarHBondContact OE1-ND2 3.08Å |
| 400 | I | 60.5 | Low | 59.4 | Low | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 177.1 | -69.8 | 166.1 | 0 | 0 | 0 | 110.4 | I351 R396 T403 L424 | I351-I400 HydrophobicContact CD1-CG1 4.39Å; I351-I400 HydrophobicContact CD1-CG2 3.92Å; I351-I400 HydrophobicContact CG1-CD1 4.23Å; I351-I400 HydrophobicContact CG1-CG1 4.31Å; I351-I400 HydrophobicContact CG1-CG2 4.37Å; R396-I400 HydrophobicContact CB-CD1 3.79Å; R396-I400 HydrophobicContact CB-CG1 4.2Å; R396-I400 VanDerWaalsContact O-CB 3.31Å; R396-I400 WeakPolarHBondContact O-CB 3.26Å; R396-I400 WeakPolarHBondContact O-CD1 3.42Å; R396-I400 WeakPolarHBondContact O-CG1 3.14Å; R396-I400 PolarHBondContact O-N 2.98Å; I400-T403 PolarHBondContact O-OG1 3.11Å; I400-L424 HydrophobicContact CG2-CD1 4.06Å; I400-L424 HydrophobicContact CG2-CG 4.42Å |
| 401 | A | 58.1 | Low | 57.2 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 31% | 0.306 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | C397 K398 E399 F421 | C397-A401 VanDerWaalsContact O-CB 3.24Å; C397-A401 WeakPolarHBondContact O-CB 3.04Å; C397-A401 PolarHBondContact O-N 3.16Å; K398-A401 WeakPolarHBondContact O-CB 3.41Å; K398-A401 PolarHBondContact O-N 3.24Å; E399-A401 PolarHBondContact O-N 2.69Å; A401-F421 HydrophobicContact CB-CE2 3.52Å; A401-F421 HydrophobicContact CB-CZ 3.85Å |
| 402 | A | 57.6 | Low | 54.6 | Low | 61 Ų | 61 | 71.6 Ų | 71.6 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -85.8 | -8.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K398 E399 K404 | K398-A402 WeakPolarHBondContact O-CB 3.27Å; K398-A402 PolarHBondContact O-N 2.96Å; E399-A402 PolarHBondContact O-N 2.97Å; A402-K404 VanDerWaalsContact C-N 3.34Å; A402-K404 PolarHBondContact O-N 3.36Å |
| 403 | T | 50.7 | Low | 52.3 | Low | 53 Ų | 53 | 74.2 Ų | 74.2 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | trans | -69.4 | 80.8 | -172.2 | -17.2 | 0 | 0 | 0 | 0 | 113.8 | S347 E399 I400 | S347-T403 WeakPolarHBondContact CB-OG1 3.29Å; S347-T403 PolarHBondContact OG-OG1 3.06Å; E399-T403 PolarHBondContact O-N 3.42Å; E399-T403 VanDerWaalsContact O-N 3.12Å; E399-T403 PolarHBondContact O-OG1 3.47Å; I400-T403 PolarHBondContact O-OG1 3.11Å | ||
| 404 | K | 43.2 | Very low | 50.3 | Low | 136 Ų | 136 | 77.5 Ų | 77.5 | 59% | 0.591 | 45% | 0.445 | S | S | * | . | trans | 158.7 | 74.9 | 134.7 | -80.1 | 171.8 | -173.8 | -178.1 | 0 | 109 | A402 V416 | A402-K404 VanDerWaalsContact C-N 3.34Å; A402-K404 PolarHBondContact O-N 3.36Å; K404-V416 HydrophobicContact CB-CB 4.43Å; K404-V416 HydrophobicContact CB-CG1 3.56Å; K404-V416 HydrophobicContact CB-CG2 3.99Å; K404-V416 HydrophobicContact CD-CG1 4.48Å; K404-V416 HydrophobicContact CD-CG2 4.23Å | ||
| 405 | N | 36.3 | Very low | 48.4 | Very low | 156 Ų | 156 | 82.8 Ų | 82.8 | 83% | 0.834 | 47% | 0.472 | S | S | * | . | trans | -111.2 | 90.6 | 167.6 | -79.6 | -14.7 | 0 | 0 | 0 | 110 | ||||
| 406 | G | 35.5 | Very low | 46.5 | Very low | 66 Ų | 66 | 82.8 Ų | 82.8 | 68% | 0.68 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -157.7 | 106.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||
| 407 | A | 33.4 | Very low | 44.8 | Very low | 83 Ų | 83 | 87.6 Ų | 87.6 | 69% | 0.686 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 85.2 | 120.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | L412 | A407-L412 WeakPolarHBondContact O-CD1 3.4Š|
| 408 | S | 34.1 | Very low | 43.5 | Very low | 97 Ų | 97 | 89.9 Ų | 89.9 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | trans | 73.5 | 88.8 | 161.5 | -68.7 | 0 | 0 | 0 | 0 | 119.1 | L410 | S408-L410 VanDerWaalsContact C-N 3.27Å; S408-L410 PolarHBondContact O-N 2.75Å | ||
| 409 | Y | 35.1 | Very low | 42.6 | Very low | 199 Ų | 199 | 87.3 Ų | 87.3 | 78% | 0.78 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -1.4 | -175.3 | -161.8 | -107.7 | 0 | 0 | 0 | 118.7 | ||
| 410 | L | 37.1 | Very low | 41.7 | Very low | 144 Ų | 144 | 84.5 Ų | 84.5 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.7 | -4.3 | -169.6 | -86.6 | 160.6 | 0 | 0 | 0 | 117.2 | S408 | S408-L410 VanDerWaalsContact C-N 3.27Å; S408-L410 PolarHBondContact O-N 2.75Å |
| 411 | I | 38.5 | Very low | 41.4 | Very low | 136 Ų | 136 | 87 Ų | 87 | 70% | 0.697 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | -21.9 | -179.1 | -62 | 174.1 | 0 | 0 | 0 | 112.7 | ||
| 412 | L | 32.7 | Very low | 41 | Very low | 73 Ų | 73 | 92.2 Ų | 92.2 | 38% | 0.382 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -79.9 | -22.6 | 177.6 | -88 | 153.6 | 0 | 0 | 0 | 113.8 | A407 A414 I415 V416 | A407-L412 WeakPolarHBondContact O-CD1 3.4Å; L412-A414 PolarHBondContact O-N 3Å; L412-A414 VanDerWaalsContact O-N 3.14Å; L412-I415 PolarHBondContact O-N 3.35Å; L412-V416 HydrophobicContact CB-CG2 3.98Å; L412-V416 HydrophobicContact CD2-CG2 3.44Å; L412-V416 VanDerWaalsContact CD2-CG2 3.44Å; L412-V416 HydrophobicContact CG-CG2 4.3Å; L412-V416 WeakPolarHBondContact O-CB 3.2Å; L412-V416 WeakPolarHBondContact O-CG2 3.19Å; L412-V416 PolarHBondContact O-N 3.42Å |
| 413 | V | 37.3 | Very low | 40.7 | Very low | 55 Ų | 55 | 90.6 Ų | 90.6 | 33% | 0.333 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -52.2 | -38 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 111 | E417 | V413-E417 VanDerWaalsContact CG1-CD 3.44Å; V413-E417 HydrophobicContact CG1-CG 4.36Å; V413-E417 WeakPolarHBondContact CG1-OE1 3.46Å; V413-E417 WeakPolarHBondContact CG1-OE2 3.29Å; V413-E417 VanDerWaalsContact O-CB 3.25Å; V413-E417 WeakPolarHBondContact O-CB 3.45Å; V413-E417 WeakPolarHBondContact O-CG 3.28Å; V413-E417 PolarHBondContact O-N 3.05Å |
| 414 | A | 37.5 | Very low | 41.1 | Very low | 72 Ų | 72 | 88.5 Ų | 88.5 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -79.2 | -18 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L412 L418 | L412-A414 PolarHBondContact O-N 3Å; L412-A414 VanDerWaalsContact O-N 3.14Å; A414-L418 WeakPolarHBondContact O-CD1 3.19Å; A414-L418 WeakPolarHBondContact O-CG 3.27Å |
| 415 | I | 38.2 | Very low | 41.7 | Very low | 119 Ų | 119 | 89.3 Ų | 89.3 | 61% | 0.61 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -110.4 | -27.8 | -175.5 | -52.6 | 178.7 | 0 | 0 | 0 | 111.4 | L412 | L412-I415 PolarHBondContact O-N 3.35Å |
| 416 | V | 34.6 | Very low | 42.8 | Very low | 21 Ų | 21 | 85.1 Ų | 85.1 | 13% | 0.127 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -85.5 | -43.4 | -178.7 | 166 | 0 | 0 | 0 | 0 | 112.2 | K404 L412 L418 T419 | K404-V416 HydrophobicContact CB-CB 4.43Å; K404-V416 HydrophobicContact CB-CG1 3.56Å; K404-V416 HydrophobicContact CB-CG2 3.99Å; K404-V416 HydrophobicContact CD-CG1 4.48Å; K404-V416 HydrophobicContact CD-CG2 4.23Å; L412-V416 HydrophobicContact CB-CG2 3.98Å; L412-V416 HydrophobicContact CD2-CG2 3.44Å; L412-V416 VanDerWaalsContact CD2-CG2 3.44Å; L412-V416 HydrophobicContact CG-CG2 4.3Å; L412-V416 WeakPolarHBondContact O-CB 3.2Å; L412-V416 WeakPolarHBondContact O-CG2 3.19Å; L412-V416 PolarHBondContact O-N 3.42Å; V416-L418 PolarHBondContact O-N 3Å; V416-T419 PolarHBondContact O-N 3.43Å; V416-T419 PolarHBondContact O-OG1 3.3Å |
| 417 | E | 37.6 | Very low | 43.9 | Very low | 108 Ų | 108 | 82.5 Ų | 82.5 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -12.4 | -178.2 | -65.4 | -176.9 | 156.9 | 0 | 0 | 113.2 | V413 | V413-E417 VanDerWaalsContact CG1-CD 3.44Å; V413-E417 HydrophobicContact CG1-CG 4.36Å; V413-E417 WeakPolarHBondContact CG1-OE1 3.46Å; V413-E417 WeakPolarHBondContact CG1-OE2 3.29Å; V413-E417 VanDerWaalsContact O-CB 3.25Å; V413-E417 WeakPolarHBondContact O-CB 3.45Å; V413-E417 WeakPolarHBondContact O-CG 3.28Å; V413-E417 PolarHBondContact O-N 3.05Å |
| 418 | L | 43 | Very low | 45.6 | Very low | 61 Ų | 61 | 84.3 Ų | 84.3 | 32% | 0.319 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -80.4 | -6.4 | 179.5 | -73.8 | 178.5 | 0 | 0 | 0 | 114.9 | A414 V416 R422 | A414-L418 WeakPolarHBondContact O-CD1 3.19Å; A414-L418 WeakPolarHBondContact O-CG 3.27Å; V416-L418 PolarHBondContact O-N 3Å; L418-R422 WeakPolarHBondContact O-CB 3.44Å; L418-R422 WeakPolarHBondContact O-CD 2.95Å; L418-R422 WeakPolarHBondContact O-CG 3.49Å |
| 419 | T | 47.8 | Very low | 47.2 | Very low | 83 Ų | 83 | 79.9 Ų | 79.9 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -103.6 | -48.9 | -174.2 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | V416 A423 | V416-T419 PolarHBondContact O-N 3.43Å; V416-T419 PolarHBondContact O-OG1 3.3Å; T419-A423 VanDerWaalsContact O-CB 3.28Å; T419-A423 WeakPolarHBondContact O-CB 3.16Å; T419-A423 PolarHBondContact O-N 3.49Å |
| 420 | G | 47.8 | Very low | 48.9 | Very low | 9 Ų | 9 | 73.4 Ų | 73.4 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.9 | -52.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R422 A423 L424 | G420-R422 PolarHBondContact O-N 2.85Å; G420-A423 WeakPolarHBondContact O-CB 3.33Å; G420-A423 PolarHBondContact O-N 3.2Å; G420-L424 PolarHBondContact O-N 2.92Å |
| 421 | F | 52.4 | Low | 50.6 | Low | 57 Ų | 57 | 72.8 Ų | 72.8 | 25% | 0.25 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69 | -32.3 | 178.5 | -84.2 | -76 | 0 | 0 | 0 | 113.3 | A401 R425 S458 | A401-F421 HydrophobicContact CB-CE2 3.52Å; A401-F421 HydrophobicContact CB-CZ 3.85Å; F421-R425 VanDerWaalsContact O-CB 3.28Å; F421-R425 WeakPolarHBondContact O-CB 3.45Å; F421-R425 PolarHBondContact O-N 3.19Å; F421-S458 VanDerWaalsContact CE1-OG 3.27Å; F421-S458 WeakPolarHBondContact CE1-OG 3.5Å |
| 422 | R | 50.6 | Low | 52.3 | Low | 148 Ų | 148 | 66.3 Ų | 66.3 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.4 | -38.8 | 170.4 | -74 | -167.5 | -175.6 | 148.7 | -5.9 | 111.5 | L418 G420 R425 A426 | L418-R422 WeakPolarHBondContact O-CB 3.44Å; L418-R422 WeakPolarHBondContact O-CD 2.95Å; L418-R422 WeakPolarHBondContact O-CG 3.49Å; G420-R422 PolarHBondContact O-N 2.85Å; R422-R425 PolarHBondContact O-N 2.93Å; R422-A426 VanDerWaalsContact O-CB 3.25Å; R422-A426 WeakPolarHBondContact O-CB 3.13Å; R422-A426 PolarHBondContact O-N 3.1Å |
| 423 | A | 52 | Low | 54.3 | Low | 27 Ų | 27 | 62.9 Ų | 62.9 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I351 T419 G420 R425 A426 L427 | I351-A423 HydrophobicContact CG2-CB 3.69Å; T419-A423 VanDerWaalsContact O-CB 3.28Å; T419-A423 WeakPolarHBondContact O-CB 3.16Å; T419-A423 PolarHBondContact O-N 3.49Å; G420-A423 WeakPolarHBondContact O-CB 3.33Å; G420-A423 PolarHBondContact O-N 3.2Å; A423-R425 VanDerWaalsContact C-N 3.34Å; A423-R425 PolarHBondContact O-N 3.07Å; A423-A426 WeakPolarHBondContact O-CB 2.95Å; A423-A426 PolarHBondContact O-N 3.46Å; A423-A426 VanDerWaalsContact O-N 3.15Å; A423-L427 WeakPolarHBondContact O-CG 3.47Å; A423-L427 PolarHBondContact O-N 3.17Å |
| 424 | L | 57.6 | Low | 55.9 | Low | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 174.8 | -69.1 | 176 | 0 | 0 | 0 | 112.6 | V393 I400 G420 A426 L427 | V393-L424 HydrophobicContact CG2-CD2 4.37Å; I400-L424 HydrophobicContact CG2-CD1 4.06Å; I400-L424 HydrophobicContact CG2-CG 4.42Å; G420-L424 PolarHBondContact O-N 2.92Å; L424-A426 VanDerWaalsContact C-N 3.35Å; L424-L427 HydrophobicContact CD2-CD1 3.83Å; L424-L427 VanDerWaalsContact O-CB 3.27Å; L424-L427 WeakPolarHBondContact O-CB 3.43Å; L424-L427 PolarHBondContact O-N 3.38Å |
| 425 | R | 56.3 | Low | 57.7 | Low | 153 Ų | 153 | 62.2 Ų | 62.2 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.4 | -36.3 | 175.2 | -169.6 | 173.8 | 176 | 161.9 | -2.2 | 112 | F421 R422 A423 L427 H428 | F421-R425 VanDerWaalsContact O-CB 3.28Å; F421-R425 WeakPolarHBondContact O-CB 3.45Å; F421-R425 PolarHBondContact O-N 3.19Å; R422-R425 PolarHBondContact O-N 2.93Å; A423-R425 VanDerWaalsContact C-N 3.34Å; A423-R425 PolarHBondContact O-N 3.07Å; R425-L427 PolarHBondContact O-N 3.45Å; R425-H428 PolarHBondContact O-CD2 3.23Å; R425-H428 PolarHBondContact O-N 3.33Å; R425-H428 VanDerWaalsContact O-N 3.1Å |
| 426 | A | 59.1 | Low | 59.4 | Low | 69 Ų | 69 | 62.3 Ų | 62.3 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.3 | -18 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | R422 A423 L424 H428 | R422-A426 VanDerWaalsContact O-CB 3.25Å; R422-A426 WeakPolarHBondContact O-CB 3.13Å; R422-A426 PolarHBondContact O-N 3.1Å; A423-A426 WeakPolarHBondContact O-CB 2.95Å; A423-A426 PolarHBondContact O-N 3.46Å; A423-A426 VanDerWaalsContact O-N 3.15Å; L424-A426 VanDerWaalsContact C-N 3.35Å; A426-H428 PolarHBondContact O-N 3.5Å |
| 427 | L | 59.9 | Low | 61.4 | Low | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.7 | 172 | -60.5 | 176.1 | 0 | 0 | 0 | 112.8 | I354 V358 H362 A423 L424 R425 L429 | I354-L427 HydrophobicContact CG2-CD1 3.45Å; I354-L427 VanDerWaalsContact CG2-CD1 3.45Å; I354-L427 HydrophobicContact CG2-CD2 4.13Å; I354-L427 HydrophobicContact CG2-CG 4.45Å; V358-L427 HydrophobicContact CB-CD2 3.93Å; V358-L427 HydrophobicContact CG1-CB 3.97Å; V358-L427 HydrophobicContact CG1-CD2 4.13Å; V358-L427 WeakPolarHBondContact CG1-O 3.33Å; V358-L427 HydrophobicContact CG2-CB 4.35Å; V358-L427 HydrophobicContact CG2-CD1 4.42Å; V358-L427 HydrophobicContact CG2-CD2 4.03Å; V358-L427 HydrophobicContact CG2-CG 4.49Å; H362-L427 PolarHBondContact NE2-O 2.85Å; A423-L427 WeakPolarHBondContact O-CG 3.47Å; A423-L427 PolarHBondContact O-N 3.17Å; L424-L427 HydrophobicContact CD2-CD1 3.83Å; L424-L427 VanDerWaalsContact O-CB 3.27Å; L424-L427 WeakPolarHBondContact O-CB 3.43Å; L424-L427 PolarHBondContact O-N 3.38Å; R425-L427 PolarHBondContact O-N 3.45Å; L427-L429 HydrophobicContact CB-CD2 3.91Å; L427-L429 HydrophobicContact CB-CG 3.9Å; L427-L429 HydrophobicContact CD1-CD1 4.49Å; L427-L429 HydrophobicContact CD1-CD2 4.39Å; L427-L429 HydrophobicContact CD1-CG 4.49Å; L427-L429 PolarHBondContact O-N 2.86Å |
| 428 | H | 68.2 | Low | 63.4 | Low | 121 Ų | 121 | 58.5 Ų | 58.5 | 56% | 0.56 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.6 | -177.6 | -61 | 165.1 | 0 | 0 | 0 | 112.9 | R425 A426 N430 R431 | R425-H428 PolarHBondContact O-CD2 3.23Å; R425-H428 PolarHBondContact O-N 3.33Å; R425-H428 VanDerWaalsContact O-N 3.1Å; A426-H428 PolarHBondContact O-N 3.5Å; H428-N430 PolarHBondContact O-N 3.05Å; H428-N430 VanDerWaalsContact O-N 3.15Å; H428-R431 WeakPolarHBondContact O-CB 3.19Å; H428-R431 PolarHBondContact O-N 3.42Å |
| 429 | L | 68.6 | Low | 65.2 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.4 | -30.9 | -177.6 | -62.7 | 179.7 | 0 | 0 | 0 | 112.7 | V358 V389 V393 L427 R431 L432 V433 F451 I472 | V358-L429 HydrophobicContact CG2-CD2 4.09Å; V389-L429 HydrophobicContact CG1-CD2 3.96Å; V393-L429 HydrophobicContact CG2-CD1 4.4Å; L427-L429 HydrophobicContact CB-CD2 3.91Å; L427-L429 HydrophobicContact CB-CG 3.9Å; L427-L429 HydrophobicContact CD1-CD1 4.49Å; L427-L429 HydrophobicContact CD1-CD2 4.39Å; L427-L429 HydrophobicContact CD1-CG 4.49Å; L427-L429 PolarHBondContact O-N 2.86Å; L429-R431 PolarHBondContact O-N 3.2Å; L429-L432 HydrophobicContact CD2-CD1 3.96Å; L429-L432 WeakPolarHBondContact O-CA 3.39Å; L429-L432 WeakPolarHBondContact O-CB 3.49Å; L429-L432 PolarHBondContact O-N 3.05Å; L429-V433 PolarHBondContact O-N 3.13Å; L429-F451 HydrophobicContact CD1-CE2 4.4Å; L429-F451 HydrophobicContact CD1-CZ 4.28Å; L429-I472 HydrophobicContact CD1-CG2 4.27Å |
| 430 | N | 69.3 | Low | 66.7 | Low | 63 Ų | 63 | 52.1 Ų | 52.1 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.7 | -37.3 | 174.8 | -165.3 | 13.7 | 0 | 0 | 0 | 112.3 | H428 L432 V433 M434 A473 | H428-N430 PolarHBondContact O-N 3.05Å; H428-N430 VanDerWaalsContact O-N 3.15Å; N430-L432 VanDerWaalsContact C-N 3.32Å; N430-L432 PolarHBondContact O-N 3.07Å; N430-V433 PolarHBondContact O-N 3.24Å; N430-M434 VanDerWaalsContact O-CB 3.3Å; N430-M434 WeakPolarHBondContact O-CB 3.46Å; N430-M434 VanDerWaalsContact O-CG 3.3Å; N430-M434 WeakPolarHBondContact O-CG 3.15Å; N430-M434 PolarHBondContact O-N 2.94Å; N430-M434 WeakPolarHBondContact OD1-CG 3.44Å; N430-A473 HydrophobicContact CB-CB 4.35Å |
| 431 | R | 73.4 | Confident | 68 | Low | 131 Ų | 131 | 53.8 Ų | 53.8 | 49% | 0.494 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 174.8 | 179 | 179 | 175.8 | 174.1 | 0.6 | 112 | H428 L429 C435 | H428-R431 WeakPolarHBondContact O-CB 3.19Å; H428-R431 PolarHBondContact O-N 3.42Å; L429-R431 PolarHBondContact O-N 3.2Å; R431-C435 WeakPolarHBondContact O-CB 3.47Å; R431-C435 PolarHBondContact O-N 3.28Å |
| 432 | L | 75.3 | Confident | 69.2 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70 | -41.9 | 176.4 | -63 | 177.9 | 0 | 0 | 0 | 111.2 | V358 L361 L365 L429 N430 C435 P439 | V358-L432 HydrophobicContact CG1-CD1 4.36Å; L361-L432 HydrophobicContact CB-CD1 4.32Å; L361-L432 HydrophobicContact CB-CD2 3.82Å; L361-L432 HydrophobicContact CD1-CD1 3.87Å; L365-L432 HydrophobicContact CD1-CD2 3.64Å; L429-L432 HydrophobicContact CD2-CD1 3.96Å; L429-L432 WeakPolarHBondContact O-CA 3.39Å; L429-L432 WeakPolarHBondContact O-CB 3.49Å; L429-L432 PolarHBondContact O-N 3.05Å; N430-L432 VanDerWaalsContact C-N 3.32Å; N430-L432 PolarHBondContact O-N 3.07Å; L432-C435 PolarHBondContact O-SG 3.08Å; L432-P439 VanDerWaalsContact O-CD 3.27Å; L432-P439 WeakPolarHBondContact O-CD 3.43Å; L432-P439 WeakPolarHBondContact O-CG 3.47Å |
| 433 | V | 73.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | F390 L429 N430 L440 F451 A473 V478 | F390-V433 HydrophobicContact CE1-CG2 4.25Å; F390-V433 HydrophobicContact CZ-CG2 4.01Å; L429-V433 PolarHBondContact O-N 3.13Å; N430-V433 PolarHBondContact O-N 3.24Å; V433-L440 HydrophobicContact CG1-CD1 3.57Å; V433-L440 HydrophobicContact CG1-CG 4.28Å; V433-F451 HydrophobicContact CG2-CE1 4.04Å; V433-A473 HydrophobicContact CB-CB 4.34Å; V433-A473 HydrophobicContact CG2-CB 4.06Å; V433-V478 HydrophobicContact CG1-CG2 4.43Å |
| 434 | M | 70.7 | Confident | 72.1 | Confident | 91 Ų | 91 | 44 Ų | 44 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4 | -176.2 | -64.3 | -63.5 | 179.5 | 0 | 0 | 114.5 | N430 F474 V478 | N430-M434 VanDerWaalsContact O-CB 3.3Å; N430-M434 WeakPolarHBondContact O-CB 3.46Å; N430-M434 VanDerWaalsContact O-CG 3.3Å; N430-M434 WeakPolarHBondContact O-CG 3.15Å; N430-M434 PolarHBondContact O-N 2.94Å; N430-M434 WeakPolarHBondContact OD1-CG 3.44Å; M434-F474 HydrophobicContact CE-CB 3.56Å; M434-F474 WeakPolarHBondContact CE-O 3.5Å; M434-V478 HydrophobicContact CE-CG2 3.97Å; M434-V478 HydrophobicContact SD-CG2 3.76Å |
| 435 | C | 76.1 | Confident | 73.1 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 14% | 0.142 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -68.3 | 158.2 | -179.4 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | L365 R431 L432 L437 N438 P439 | L365-C435 HydrophobicContact CD1-CB 4.14Å; L365-C435 HydrophobicContact CD2-CB 4.04Å; R431-C435 WeakPolarHBondContact O-CB 3.47Å; R431-C435 PolarHBondContact O-N 3.28Å; L432-C435 PolarHBondContact O-SG 3.08Å; C435-L437 PolarHBondContact O-N 3.5Å; C435-L437 VanDerWaalsContact O-N 3.11Å; C435-N438 PolarHBondContact O-N 3.44Å; C435-P439 VanDerWaalsContact SG-CD 3.59Å |
| 436 | T | 74.3 | Confident | 74.1 | Confident | 122 Ų | 122 | 45.7 Ų | 45.7 | 75% | 0.748 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.3 | 178.8 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | N438 | T436-N438 VanDerWaalsContact C-N 3.31Š|
| 437 | L | 77.1 | Confident | 75.1 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -18.1 | 177.5 | -60.7 | -178.5 | 0 | 0 | 0 | 113.4 | Y364 L365 F382 Y383 C435 | Y364-L437 HydrophobicContact CE1-CD1 4.24Å; L365-L437 HydrophobicContact CD2-CD1 3.83Å; L365-L437 HydrophobicContact CD2-CG 4.44Å; F382-L437 HydrophobicContact CD1-CB 4.48Å; F382-L437 HydrophobicContact CD1-CD1 3.87Å; F382-L437 HydrophobicContact CE1-CB 3.97Å; F382-L437 HydrophobicContact CE1-CD1 3.81Å; F382-L437 HydrophobicContact CG-CD1 4.36Å; F382-L437 HydrophobicContact CZ-CD1 4.24Å; Y383-L437 HydrophobicContact CE1-CB 4.14Å; Y383-L437 VanDerWaalsContact CE1-O 3.3Å; Y383-L437 WeakPolarHBondContact CE1-O 3.47Å; Y383-L437 PolarHBondContact OH-O 3.14Å; C435-L437 PolarHBondContact O-N 3.5Å; C435-L437 VanDerWaalsContact O-N 3.11Å |
| 438 | N | 79.1 | Confident | 76.1 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | trans | 45.1 | 70.9 | 175.4 | -173.3 | -4.8 | 0 | 0 | 0 | 113.6 | C435 T436 L440 K441 V478 N482 | C435-N438 PolarHBondContact O-N 3.44Å; T436-N438 VanDerWaalsContact C-N 3.31Å; N438-L440 VanDerWaalsContact C-N 3.27Å; N438-L440 PolarHBondContact O-N 2.95Å; N438-K441 WeakPolarHBondContact O-CB 3.17Å; N438-K441 PolarHBondContact O-N 3.47Å; N438-K441 VanDerWaalsContact O-N 3.1Å; N438-V478 WeakPolarHBondContact OD1-CG1 3.35Å; N438-N482 PolarHBondContact ND2-ND2 2.95Å; N438-N482 PolarHBondContact ND2-OD1 3.2Å; N438-N482 PolarHBondContact OD1-ND2 2.91Å | ||
| 439 | P | 81.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -61.3 | -33.5 | -174.1 | 23.6 | -33.5 | 0 | 0 | 0 | 113.2 | F382 Y383 C386 F390 L432 C435 K441 F442 C443 | F382-P439 HydrophobicContact CE1-CB 4.24Å; F382-P439 HydrophobicContact CE1-CG 4.5Å; Y383-P439 HydrophobicContact CD1-CB 4.03Å; Y383-P439 HydrophobicContact CE1-CB 4.46Å; C386-P439 HydrophobicContact CB-CB 3.76Å; C386-P439 HydrophobicContact CB-CG 4.44Å; F390-P439 HydrophobicContact CE2-CB 4.47Å; F390-P439 HydrophobicContact CE2-CG 4.47Å; F390-P439 HydrophobicContact CZ-CG 4.39Å; L432-P439 VanDerWaalsContact O-CD 3.27Å; L432-P439 WeakPolarHBondContact O-CD 3.43Å; L432-P439 WeakPolarHBondContact O-CG 3.47Å; C435-P439 VanDerWaalsContact SG-CD 3.59Å; P439-K441 PolarHBondContact O-N 3.43Å; P439-F442 PolarHBondContact O-N 2.93Å; P439-C443 PolarHBondContact O-N 3.15Å; P439-C443 PolarHBondContact O-SG 3.13Å |
| 440 | L | 78.6 | Confident | 76.6 | Confident | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -59.9 | -20.8 | 178 | -65.7 | -177.2 | 0 | 0 | 0 | 113.4 | F390 V433 N438 F442 A448 F451 C475 V478 I479 | F390-L440 HydrophobicContact CD2-CD2 4.07Å; F390-L440 HydrophobicContact CE2-CD2 3.65Å; F390-L440 HydrophobicContact CZ-CD2 4.31Å; V433-L440 HydrophobicContact CG1-CD1 3.57Å; V433-L440 HydrophobicContact CG1-CG 4.28Å; N438-L440 VanDerWaalsContact C-N 3.27Å; N438-L440 PolarHBondContact O-N 2.95Å; L440-F442 VanDerWaalsContact C-N 3.33Å; L440-A448 HydrophobicContact CD2-CB 4.1Å; L440-F451 HydrophobicContact CD2-CD1 4.49Å; L440-C475 HydrophobicContact CD1-CB 4.03Å; L440-V478 HydrophobicContact CB-CG1 4.49Å; L440-V478 HydrophobicContact CD1-CB 4.4Å; L440-V478 HydrophobicContact CD1-CG1 4.27Å; L440-I479 HydrophobicContact CD1-CD1 4.39Å; L440-I479 HydrophobicContact CD1-CG1 4.06Å |
| 441 | K | 76 | Confident | 77 | Confident | 43 Ų | 43 | 36 Ų | 36 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -71.2 | -29.2 | 174.5 | -170.9 | 172.7 | 179.4 | 179.2 | 0 | 112.7 | N438 P439 N482 M493 | N438-K441 WeakPolarHBondContact O-CB 3.17Å; N438-K441 PolarHBondContact O-N 3.47Å; N438-K441 VanDerWaalsContact O-N 3.1Å; P439-K441 PolarHBondContact O-N 3.43Å; K441-N482 WeakPolarHBondContact CA-ND2 3.14Å; K441-N482 HydrophobicContact CG-CB 4.49Å; K441-N482 PolarHBondContact N-ND2 3.34Å; K441-M493 HydrophobicContact CD-CE 3.9Å; K441-M493 VanDerWaalsContact CE-CE 3.42Å; K441-M493 VanDerWaalsContact CE-SD 3.52Å; K441-M493 PolarHBondContact NZ-SD 3.45Å; K441-M493 VanDerWaalsContact NZ-SD 3.44Å |
| 442 | F | 77.3 | Confident | 76.9 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -20 | -170 | -63.9 | -76.8 | 0 | 0 | 0 | 114.3 | R376 Y383 P439 L440 M493 S496 | R376-F442 HydrophobicContact CB-CD1 4.25Å; R376-F442 HydrophobicContact CB-CE1 3.67Å; R376-F442 HydrophobicContact CB-CZ 4.18Å; R376-F442 VanDerWaalsContact CD-CD1 3.43Å; R376-F442 HydrophobicContact CG-CD1 3.58Å; R376-F442 HydrophobicContact CG-CE1 3.54Å; R376-F442 HydrophobicContact CG-CG 4.34Å; R376-F442 HydrophobicContact CG-CZ 4.31Å; Y383-F442 HydrophobicContact CD1-CB 4.11Å; Y383-F442 AromaticContact CD1-CD2 3.96Å; Y383-F442 HydrophobicContact CD1-CD2 3.96Å; Y383-F442 HydrophobicContact CD1-CG 4.37Å; Y383-F442 HydrophobicContact CD2-CB 4.06Å; Y383-F442 HydrophobicContact CD2-CD2 4.15Å; Y383-F442 HydrophobicContact CD2-CG 4.08Å; Y383-F442 HydrophobicContact CE1-CB 4.49Å; Y383-F442 AromaticContact CE1-CD2 3.47Å; Y383-F442 HydrophobicContact CE1-CD2 3.47Å; Y383-F442 VanDerWaalsContact CE1-CD2 3.47Å; Y383-F442 AromaticContact CE1-CE2 3.97Å; Y383-F442 HydrophobicContact CE1-CE2 3.97Å; Y383-F442 HydrophobicContact CE1-CG 4.28Å; Y383-F442 HydrophobicContact CE2-CB 4.44Å; Y383-F442 AromaticContact CE2-CD2 3.69Å; Y383-F442 HydrophobicContact CE2-CD2 3.69Å; Y383-F442 AromaticContact CE2-CE2 3.9Å; Y383-F442 HydrophobicContact CE2-CE2 3.9Å; Y383-F442 AromaticContact CE2-CG 3.98Å; Y383-F442 HydrophobicContact CE2-CG 3.98Å; Y383-F442 HydrophobicContact CE2-CZ 4.34Å; Y383-F442 HydrophobicContact CG-CB 3.88Å; Y383-F442 HydrophobicContact CG-CD2 4.27Å; Y383-F442 HydrophobicContact CG-CG 4.29Å; Y383-F442 AromaticContact CZ-CD2 3.32Å; Y383-F442 AromaticContact CZ-CE2 3.43Å; Y383-F442 VanDerWaalsContact CZ-CE2 3.43Å; Y383-F442 WeakPolarHBondContact OH-CE2 3.39Å; P439-F442 PolarHBondContact O-N 2.93Å; L440-F442 VanDerWaalsContact C-N 3.33Å; F442-M493 HydrophobicContact CE1-CE 3.37Å; F442-M493 HydrophobicContact CE1-CG 4.06Å; F442-M493 HydrophobicContact CE1-SD 4.5Å; F442-M493 HydrophobicContact CE2-CE 4.17Å; F442-M493 HydrophobicContact CZ-CE 3.16Å; F442-S496 PolarHBondContact O-N 3.4Å |
| 443 | C | 81.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -64.5 | 161.6 | 170.6 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | Q387 P439 | Q387-C443 HydrophobicContact CB-CB 4.31Å; P439-C443 PolarHBondContact O-N 3.15Å; P439-C443 PolarHBondContact O-SG 3.13Å |
| 444 | D | 81.2 | Confident | 76.4 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | trans | -56.8 | 137 | 169.4 | -172.6 | -83.9 | 0 | 0 | 0 | 111.1 | R446 V447 A448 G498 | D444-R446 VanDerWaalsContact C-N 3.31Å; D444-R446 PolarHBondContact O-N 3.39Å; D444-R446 VanDerWaalsContact OD1-CB 3.3Å; D444-R446 WeakPolarHBondContact OD1-CB 3.41Å; D444-R446 PolarHBondContact OD1-N 2.93Å; D444-V447 HydrophobicContact CB-CB 4.4Å; D444-V447 HydrophobicContact CB-CG2 4.05Å; D444-V447 PolarHBondContact O-N 3.37Å; D444-A448 WeakPolarHBondContact O-CB 3.45Å; D444-A448 PolarHBondContact O-N 3.21Å; D444-G498 PolarHBondContact OD2-N 3.36Å | ||
| 445 | E | 79.2 | Confident | 76 | Confident | 109 Ų | 109 | 28.3 Ų | 28.3 | 51% | 0.509 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.7 | -34.3 | -174.2 | -175.8 | 166 | 175.8 | 0 | 0 | 112.5 | T449 R495 | E445-T449 VanDerWaalsContact O-CB 3.23Å; E445-T449 WeakPolarHBondContact O-CB 3.4Å; E445-T449 PolarHBondContact O-N 3.44Å; E445-T449 PolarHBondContact O-OG1 2.96Å; E445-R495 IonicContact OE2-CZ 3.12Å; E445-R495 IonicContact OE2-NH1 3.76Å; E445-R495 PolarHBondContact OE2-NH1 2.98Å |
| 446 | R | 77.3 | Confident | 75.2 | Confident | 86 Ų | 86 | 32.6 Ų | 32.6 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.7 | -43.5 | 178.7 | -55.1 | 179.4 | -169.4 | 164.9 | 6.2 | 110.3 | D444 T449 N450 S574 | D444-R446 VanDerWaalsContact C-N 3.31Å; D444-R446 PolarHBondContact O-N 3.39Å; D444-R446 VanDerWaalsContact OD1-CB 3.3Å; D444-R446 WeakPolarHBondContact OD1-CB 3.41Å; D444-R446 PolarHBondContact OD1-N 2.93Å; R446-T449 PolarHBondContact O-N 3.02Å; R446-N450 VanDerWaalsContact O-CB 3.29Å; R446-N450 WeakPolarHBondContact O-CB 3.43Å; R446-N450 PolarHBondContact O-N 3.41Å; R446-N450 PolarHBondContact O-ND2 3.39Å; R446-S574 PolarHBondContact NH1-O 3.12Å |
| 447 | V | 79.9 | Confident | 74.1 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | Q387 F390 Y391 D444 T449 F451 F500 Y575 | Q387-V447 HydrophobicContact CG-CG1 4.38Å; F390-V447 HydrophobicContact CB-CG1 3.95Å; Y391-V447 HydrophobicContact CD2-CG2 4.26Å; D444-V447 HydrophobicContact CB-CB 4.4Å; D444-V447 HydrophobicContact CB-CG2 4.05Å; D444-V447 PolarHBondContact O-N 3.37Å; V447-T449 PolarHBondContact O-N 3.21Å; V447-F451 WeakPolarHBondContact O-CB 3.12Å; V447-F451 PolarHBondContact O-N 2.77Å; V447-F500 HydrophobicContact CG2-CE2 3.66Å; V447-F500 HydrophobicContact CG2-CZ 3.85Å; V447-Y575 HydrophobicContact CG2-CE1 4.04Å |
| 448 | A | 80.1 | Confident | 72.7 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L440 D444 A452 | L440-A448 HydrophobicContact CD2-CB 4.1Å; D444-A448 WeakPolarHBondContact O-CB 3.45Å; D444-A448 PolarHBondContact O-N 3.21Å; A448-A452 WeakPolarHBondContact O-CB 3.32Å; A448-A452 PolarHBondContact O-N 2.76Å |
| 449 | T | 75.7 | Confident | 70.6 | Confident | 52 Ų | 52 | 31.4 Ų | 31.4 | 32% | 0.319 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.2 | -48.3 | 179.3 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | E445 R446 V447 F451 A452 N453 | E445-T449 VanDerWaalsContact O-CB 3.23Å; E445-T449 WeakPolarHBondContact O-CB 3.4Å; E445-T449 PolarHBondContact O-N 3.44Å; E445-T449 PolarHBondContact O-OG1 2.96Å; R446-T449 PolarHBondContact O-N 3.02Å; V447-T449 PolarHBondContact O-N 3.21Å; T449-F451 VanDerWaalsContact C-N 3.31Å; T449-F451 PolarHBondContact O-N 3.44Å; T449-A452 WeakPolarHBondContact O-CB 3.4Å; T449-A452 PolarHBondContact O-N 3.33Å; T449-A452 VanDerWaalsContact O-N 3.15Å; T449-N453 VanDerWaalsContact O-CG 3.23Å; T449-N453 PolarHBondContact O-N 3.3Å; T449-N453 PolarHBondContact O-ND2 3.17Å |
| 450 | N | 72.6 | Confident | 68.6 | Low | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -37.7 | 176.5 | -74.1 | -45.8 | 0 | 0 | 0 | 111.9 | V394 R446 N453 V454 F573 | V394-N450 HydrophobicContact CG1-CB 3.87Å; V394-N450 HydrophobicContact CG2-CB 4.16Å; R446-N450 VanDerWaalsContact O-CB 3.29Å; R446-N450 WeakPolarHBondContact O-CB 3.43Å; R446-N450 PolarHBondContact O-N 3.41Å; R446-N450 PolarHBondContact O-ND2 3.39Å; N450-N453 PolarHBondContact O-N 3.01Å; N450-V454 WeakPolarHBondContact O-CB 2.8Å; N450-V454 WeakPolarHBondContact O-CG2 3.3Å; N450-V454 PolarHBondContact O-N 2.79Å; N450-F573 HydrophobicContact CB-CZ 4.21Å |
| 451 | F | 76.6 | Confident | 66.5 | Low | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.3 | -179.9 | -100.5 | 0 | 0 | 0 | 111.9 | F390 V393 V394 L429 V433 L440 V447 T449 V454 A455 | F390-F451 HydrophobicContact CB-CB 4.17Å; F390-F451 HydrophobicContact CB-CD2 3.81Å; F390-F451 HydrophobicContact CB-CE2 4.38Å; F390-F451 HydrophobicContact CB-CG 3.93Å; F390-F451 HydrophobicContact CD1-CD1 4.09Å; F390-F451 AromaticContact CD1-CD2 3.87Å; F390-F451 HydrophobicContact CD1-CD2 3.87Å; F390-F451 AromaticContact CD1-CE1 3.84Å; F390-F451 HydrophobicContact CD1-CE1 3.84Å; F390-F451 AromaticContact CD1-CE2 3.61Å; F390-F451 HydrophobicContact CD1-CE2 3.61Å; F390-F451 HydrophobicContact CD1-CG 4.11Å; F390-F451 AromaticContact CD1-CZ 3.59Å; F390-F451 HydrophobicContact CD1-CZ 3.59Å; F390-F451 HydrophobicContact CE1-CD1 4.45Å; F390-F451 AromaticContact CE1-CE1 3.91Å; F390-F451 HydrophobicContact CE1-CE1 3.91Å; F390-F451 HydrophobicContact CE1-CE2 4.3Å; F390-F451 AromaticContact CE1-CZ 3.82Å; F390-F451 HydrophobicContact CE1-CZ 3.82Å; F390-F451 HydrophobicContact CG-CD1 4.2Å; F390-F451 HydrophobicContact CG-CD2 4.06Å; F390-F451 HydrophobicContact CG-CE1 4.41Å; F390-F451 HydrophobicContact CG-CE2 4.27Å; F390-F451 HydrophobicContact CG-CG 4.02Å; F390-F451 HydrophobicContact CG-CZ 4.44Å; V393-F451 HydrophobicContact CB-CD2 4.46Å; V393-F451 HydrophobicContact CB-CE2 4.24Å; V393-F451 HydrophobicContact CG1-CD2 4.31Å; V393-F451 HydrophobicContact CG1-CE2 3.94Å; V394-F451 VanDerWaalsContact CG2-CA 3.41Å; V394-F451 HydrophobicContact CG2-CB 3.8Å; V394-F451 HydrophobicContact CG2-CD2 4.3Å; L429-F451 HydrophobicContact CD1-CE2 4.4Å; L429-F451 HydrophobicContact CD1-CZ 4.28Å; V433-F451 HydrophobicContact CG2-CE1 4.04Å; L440-F451 HydrophobicContact CD2-CD1 4.49Å; V447-F451 WeakPolarHBondContact O-CB 3.12Å; V447-F451 PolarHBondContact O-N 2.77Å; T449-F451 VanDerWaalsContact C-N 3.31Å; T449-F451 PolarHBondContact O-N 3.44Å; F451-V454 PolarHBondContact O-N 2.95Å; F451-A455 WeakPolarHBondContact O-CB 3.39Å; F451-A455 PolarHBondContact O-N 2.85Å |
| 452 | A | 71.8 | Confident | 64.2 | Low | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A448 T449 A455 R456 C475 I479 | A448-A452 WeakPolarHBondContact O-CB 3.32Å; A448-A452 PolarHBondContact O-N 2.76Å; T449-A452 WeakPolarHBondContact O-CB 3.4Å; T449-A452 PolarHBondContact O-N 3.33Å; T449-A452 VanDerWaalsContact O-N 3.15Å; A452-A455 PolarHBondContact O-N 3.41Å; A452-R456 WeakPolarHBondContact O-CB 3.36Å; A452-R456 PolarHBondContact O-N 2.9Å; A452-C475 HydrophobicContact CB-CB 3.61Å; A452-I479 HydrophobicContact CB-CD1 3.55Å |
| 453 | N | 70.2 | Confident | 62.2 | Low | 32 Ų | 32 | 52.6 Ų | 52.6 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 177.4 | -68.1 | -17.5 | 0 | 0 | 0 | 111.6 | T449 N450 R456 L457 | T449-N453 VanDerWaalsContact O-CG 3.23Å; T449-N453 PolarHBondContact O-N 3.3Å; T449-N453 PolarHBondContact O-ND2 3.17Å; N450-N453 PolarHBondContact O-N 3.01Å; N453-R456 CarbonylContact O-C 3.5Å; N453-R456 WeakPolarHBondContact O-CB 3.37Å; N453-R456 PolarHBondContact O-N 3.5Å; N453-L457 WeakPolarHBondContact O-CB 3.45Å; N453-L457 WeakPolarHBondContact O-CG 3.29Å; N453-L457 PolarHBondContact O-N 3.4Å |
| 454 | V | 67.5 | Low | 59.9 | Low | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | V394 C397 N450 F451 R456 L457 S458 | V394-V454 HydrophobicContact CG1-CG2 4.33Å; V394-V454 HydrophobicContact CG2-CG2 4.36Å; C397-V454 HydrophobicContact CB-CG1 3.69Å; N450-V454 WeakPolarHBondContact O-CB 2.8Å; N450-V454 WeakPolarHBondContact O-CG2 3.3Å; N450-V454 PolarHBondContact O-N 2.79Å; F451-V454 PolarHBondContact O-N 2.95Å; V454-R456 PolarHBondContact O-N 2.93Å; V454-L457 PolarHBondContact O-N 3.4Å; V454-S458 PolarHBondContact O-N 3.49Å |
| 455 | A | 63.7 | Low | 57.5 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -29.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F451 A452 I472 | F451-A455 WeakPolarHBondContact O-CB 3.39Å; F451-A455 PolarHBondContact O-N 2.85Å; A452-A455 PolarHBondContact O-N 3.41Å; A455-I472 HydrophobicContact CB-CB 4.28Å |
| 456 | R | 58.5 | Low | 55.5 | Low | 111 Ų | 111 | 71.7 Ų | 71.7 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.2 | -45.6 | 172.1 | -164.7 | -172.6 | 92.6 | 97.4 | -2.3 | 112.2 | A452 N453 V454 S458 S459 I460 | A452-R456 WeakPolarHBondContact O-CB 3.36Å; A452-R456 PolarHBondContact O-N 2.9Å; N453-R456 CarbonylContact O-C 3.5Å; N453-R456 WeakPolarHBondContact O-CB 3.37Å; N453-R456 PolarHBondContact O-N 3.5Å; V454-R456 PolarHBondContact O-N 2.93Å; R456-S458 VanDerWaalsContact C-N 3.3Å; R456-S458 PolarHBondContact O-N 2.89Å; R456-S459 WeakPolarHBondContact O-CA 3.48Å; R456-S459 WeakPolarHBondContact O-CB 3.3Å; R456-S459 PolarHBondContact O-N 2.82Å; R456-I460 HydrophobicContact CG-CD1 4.15Å; R456-I460 VanDerWaalsContact NH1-CD1 3.29Å |
| 457 | L | 51.3 | Low | 53.4 | Low | 82 Ų | 82 | 70.6 Ų | 70.6 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -29.9 | -177.7 | -87.4 | 157.1 | 0 | 0 | 0 | 112.7 | N453 V454 S459 I460 L461 | N453-L457 WeakPolarHBondContact O-CB 3.45Å; N453-L457 WeakPolarHBondContact O-CG 3.29Å; N453-L457 PolarHBondContact O-N 3.4Å; V454-L457 PolarHBondContact O-N 3.4Å; L457-S459 PolarHBondContact O-N 3.09Å; L457-I460 WeakPolarHBondContact O-CA 3.24Å; L457-I460 PolarHBondContact O-N 2.85Å; L457-L461 PolarHBondContact O-N 3.45Å; L457-L461 VanDerWaalsContact O-N 3.15Å |
| 458 | S | 48.3 | Very low | 51.2 | Low | 13 Ų | 13 | 75.5 Ų | 75.5 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.9 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | F421 V454 R456 I472 | F421-S458 VanDerWaalsContact CE1-OG 3.27Å; F421-S458 WeakPolarHBondContact CE1-OG 3.5Å; V454-S458 PolarHBondContact O-N 3.49Å; R456-S458 VanDerWaalsContact C-N 3.3Å; R456-S458 PolarHBondContact O-N 2.89Å; S458-I472 VanDerWaalsContact CB-CD1 3.48Å; S458-I472 WeakPolarHBondContact OG-CD1 3.47Å |
| 459 | S | 35.4 | Very low | 49.1 | Very low | 49 Ų | 49 | 82 Ų | 82 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.6 | 172.2 | -162.4 | 0 | 0 | 0 | 0 | 113.4 | R456 L457 | R456-S459 WeakPolarHBondContact O-CA 3.48Å; R456-S459 WeakPolarHBondContact O-CB 3.3Å; R456-S459 PolarHBondContact O-N 2.82Å; L457-S459 PolarHBondContact O-N 3.09Å |
| 460 | I | 37.1 | Very low | 47.5 | Very low | 61 Ų | 61 | 84 Ų | 84 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -3.3 | -168.3 | -60.7 | 171.3 | 0 | 0 | 0 | 112.9 | R456 L457 N462 | R456-I460 HydrophobicContact CG-CD1 4.15Å; R456-I460 VanDerWaalsContact NH1-CD1 3.29Å; L457-I460 WeakPolarHBondContact O-CA 3.24Å; L457-I460 PolarHBondContact O-N 2.85Å; I460-N462 PolarHBondContact O-N 2.87Å |
| 461 | L | 35.3 | Very low | 46.1 | Very low | 125 Ų | 125 | 89.8 Ų | 89.8 | 65% | 0.654 | 44% | 0.442 | S | S | * | . | trans | -62.8 | 85.8 | 167 | -76.8 | 173.5 | 0 | 0 | 0 | 110.5 | L457 F463 | L457-L461 PolarHBondContact O-N 3.45Å; L457-L461 VanDerWaalsContact O-N 3.15Å; L461-F463 PolarHBondContact O-N 3.32Å | ||
| 462 | N | 28.7 | Very low | 44.9 | Very low | 151 Ų | 151 | 91.2 Ų | 91.2 | 81% | 0.807 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 49.6 | -177.2 | -95.6 | -43 | 0 | 0 | 0 | 111.4 | I460 | I460-N462 PolarHBondContact O-N 2.87Š|
| 463 | F | 35 | Very low | 44 | Very low | 169 Ų | 169 | 91.5 Ų | 91.5 | 74% | 0.741 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -18.8 | 171.4 | -147.4 | -98.8 | 0 | 0 | 0 | 114.5 | L461 | L461-F463 PolarHBondContact O-N 3.32Š|
| 464 | F | 32.6 | Very low | 43.3 | Very low | 143 Ų | 143 | 94.1 Ų | 94.1 | 63% | 0.627 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -152.7 | 131.4 | 165.4 | -102 | -88.6 | 0 | 0 | 0 | 111 | I466 | F464-I466 PolarHBondContact O-N 3.02Š|
| 465 | R | 30.7 | Very low | 43 | Very low | 250 Ų | 250 | 93.2 Ų | 93.2 | 94% | 0.943 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 20.7 | -174.2 | -156.3 | 166.6 | 75.7 | 144.1 | 0.8 | 117.2 | ||
| 466 | I | 37.1 | Very low | 42.8 | Very low | 138 Ų | 138 | 97.2 Ų | 97.2 | 71% | 0.708 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -12.2 | -168.6 | -59.6 | 176.3 | 0 | 0 | 0 | 113.1 | F464 S468 | F464-I466 PolarHBondContact O-N 3.02Å; I466-S468 PolarHBondContact O-N 3.25Å |
| 467 | C | 34.4 | Very low | 43 | Very low | 64 Ų | 64 | 98.8 Ų | 98.8 | 43% | 0.432 | 49% | 0.486 | S | S | . | . | trans | -93.6 | 18.3 | -176.5 | -70.3 | 0 | 0 | 0 | 0 | 116 | N469 Y470 | C467-N469 PolarHBondContact O-N 3.24Å; C467-Y470 HydrophobicContact CB-CD2 4.18Å; C467-Y470 PolarHBondContact O-N 3.05Å | ||
| 468 | S | 33.4 | Very low | 43.6 | Very low | 104 Ų | 104 | 95.8 Ų | 95.8 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 0.5 | -174.3 | -144.8 | 0 | 0 | 0 | 0 | 115.8 | I466 | I466-S468 PolarHBondContact O-N 3.25Š|
| 469 | N | 35.9 | Very low | 44.4 | Very low | 141 Ų | 141 | 96.8 Ų | 96.8 | 75% | 0.754 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | 7.7 | -176.3 | -75.2 | -37.1 | 0 | 0 | 0 | 115.4 | C467 K471 | C467-N469 PolarHBondContact O-N 3.24Å; N469-K471 PolarHBondContact O-N 3.36Å |
| 470 | Y | 40.6 | Very low | 45.9 | Very low | 94 Ų | 94 | 97.5 Ų | 97.5 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | trans | -104.2 | 67.8 | -172.8 | -65.4 | -89.6 | 0 | 0 | 0 | 112.9 | C467 I472 | C467-Y470 HydrophobicContact CB-CD2 4.18Å; C467-Y470 PolarHBondContact O-N 3.05Å; Y470-I472 PolarHBondContact O-N 3.44Å | ||
| 471 | K | 43.4 | Very low | 47.4 | Very low | 127 Ų | 127 | 103.8 Ų | 103.8 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | trans | -76.6 | 111.4 | 164.6 | -65.7 | -178.6 | 179.7 | -178.8 | 0 | 108.8 | N469 F474 | N469-K471 PolarHBondContact O-N 3.36Å; K471-F474 HydrophobicContact CB-CE2 4.46Å; K471-F474 HydrophobicContact CD-CD1 4.19Å; K471-F474 HydrophobicContact CD-CE1 3.43Å; K471-F474 VanDerWaalsContact CD-CE1 3.43Å; K471-F474 HydrophobicContact CD-CE2 3.99Å; K471-F474 HydrophobicContact CD-CZ 3.31Å | ||
| 472 | I | 51.8 | Low | 48.9 | Very low | 32 Ų | 32 | 98.3 Ų | 98.3 | 16% | 0.164 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -64.4 | -41.4 | -179.8 | -63 | 178.1 | 0 | 0 | 0 | 110.7 | L429 A455 S458 Y470 | L429-I472 HydrophobicContact CD1-CG2 4.27Å; A455-I472 HydrophobicContact CB-CB 4.28Å; S458-I472 VanDerWaalsContact CB-CD1 3.48Å; S458-I472 WeakPolarHBondContact OG-CD1 3.47Å; Y470-I472 PolarHBondContact O-N 3.44Å |
| 473 | A | 53.4 | Low | 50.7 | Low | 8 Ų | 8 | 97.1 Ų | 97.1 | 7% | 0.066 | 45% | 0.448 | C | S | . | . | trans | -163.5 | 151.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N430 V433 C475 | N430-A473 HydrophobicContact CB-CB 4.35Å; V433-A473 HydrophobicContact CB-CB 4.34Å; V433-A473 HydrophobicContact CG2-CB 4.06Å; A473-C475 PolarHBondContact O-N 3.46Å | ||
| 474 | F | 55.5 | Low | 52.1 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 39% | 0.386 | 45% | 0.446 | S | S | . | . | trans | -86 | 81.3 | 173.5 | -68 | -98.4 | 0 | 0 | 0 | 109.9 | M434 K471 | M434-F474 HydrophobicContact CE-CB 3.56Å; M434-F474 WeakPolarHBondContact CE-O 3.5Å; K471-F474 HydrophobicContact CB-CE2 4.46Å; K471-F474 HydrophobicContact CD-CD1 4.19Å; K471-F474 HydrophobicContact CD-CE1 3.43Å; K471-F474 VanDerWaalsContact CD-CE1 3.43Å; K471-F474 HydrophobicContact CD-CE2 3.99Å; K471-F474 HydrophobicContact CD-CZ 3.31Å | ||
| 475 | C | 60.1 | Low | 53.5 | Low | 3 Ų | 3 | 93.5 Ų | 93.5 | 2% | 0.02 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -84 | -35 | -173.3 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | L440 A452 A473 E477 V478 I479 | L440-C475 HydrophobicContact CD1-CB 4.03Å; A452-C475 HydrophobicContact CB-CB 3.61Å; A473-C475 PolarHBondContact O-N 3.46Å; C475-E477 PolarHBondContact O-N 2.9Å; C475-V478 PolarHBondContact O-N 3.17Å; C475-V478 VanDerWaalsContact O-N 3.17Å; C475-I479 HydrophobicContact CB-CD1 4.23Å; C475-I479 WeakPolarHBondContact O-CG1 3.14Å; C475-I479 PolarHBondContact O-N 3.35Å |
| 476 | H | 59.8 | Low | 54.9 | Low | 88 Ų | 88 | 82.3 Ų | 82.3 | 41% | 0.407 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | -172.4 | -77.1 | -73.5 | 0 | 0 | 0 | 113.6 | V478 I479 E480 | H476-V478 VanDerWaalsContact C-N 3.29Å; H476-V478 PolarHBondContact O-N 3.06Å; H476-I479 PolarHBondContact O-N 3.08Å; H476-E480 WeakPolarHBondContact O-CB 3.36Å; H476-E480 PolarHBondContact O-N 3.03Å |
| 477 | E | 62.6 | Low | 55.7 | Low | 145 Ų | 145 | 82.1 Ų | 82.1 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 177 | -68.7 | 179.4 | -170.2 | 0 | 0 | 111.8 | C475 R481 | C475-E477 PolarHBondContact O-N 2.9Å; E477-R481 WeakPolarHBondContact O-CB 3.16Å; E477-R481 PolarHBondContact O-N 2.83Å |
| 478 | V | 64.6 | Low | 56.6 | Low | 18 Ų | 18 | 82.7 Ų | 82.7 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | V433 M434 N438 L440 C475 H476 R481 N482 | V433-V478 HydrophobicContact CG1-CG2 4.43Å; M434-V478 HydrophobicContact CE-CG2 3.97Å; M434-V478 HydrophobicContact SD-CG2 3.76Å; N438-V478 WeakPolarHBondContact OD1-CG1 3.35Å; L440-V478 HydrophobicContact CB-CG1 4.49Å; L440-V478 HydrophobicContact CD1-CB 4.4Å; L440-V478 HydrophobicContact CD1-CG1 4.27Å; C475-V478 PolarHBondContact O-N 3.17Å; C475-V478 VanDerWaalsContact O-N 3.17Å; H476-V478 VanDerWaalsContact C-N 3.29Å; H476-V478 PolarHBondContact O-N 3.06Å; V478-R481 PolarHBondContact O-N 3.17Å; V478-N482 WeakPolarHBondContact O-CB 3.48Å; V478-N482 PolarHBondContact O-N 2.87Å; V478-N482 PolarHBondContact O-ND2 2.97Å; V478-N482 PolarHBondContact O-OD1 3.47Å |
| 479 | I | 65.6 | Low | 57.5 | Low | 35 Ų | 35 | 82.2 Ų | 82.2 | 18% | 0.179 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 178.5 | -67.9 | 169.6 | 0 | 0 | 0 | 110.8 | L440 A452 C475 H476 R481 N482 R483 | L440-I479 HydrophobicContact CD1-CD1 4.39Å; L440-I479 HydrophobicContact CD1-CG1 4.06Å; A452-I479 HydrophobicContact CB-CD1 3.55Å; C475-I479 HydrophobicContact CB-CD1 4.23Å; C475-I479 WeakPolarHBondContact O-CG1 3.14Å; C475-I479 PolarHBondContact O-N 3.35Å; H476-I479 PolarHBondContact O-N 3.08Å; I479-R481 PolarHBondContact O-N 3.49Å; I479-N482 CarbonylContact O-C 3.57Å; I479-N482 WeakPolarHBondContact O-CB 3.09Å; I479-N482 PolarHBondContact O-N 3.26Å; I479-N482 VanDerWaalsContact O-N 3.15Å; I479-R483 PolarHBondContact O-N 3.49Å |
| 480 | E | 66.3 | Low | 58 | Low | 64 Ų | 64 | 82.5 Ų | 82.5 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.7 | -81.4 | -61.7 | 156.8 | 0 | 0 | 112.1 | H476 N482 R483 R484 | H476-E480 WeakPolarHBondContact O-CB 3.36Å; H476-E480 PolarHBondContact O-N 3.03Å; E480-N482 VanDerWaalsContact C-N 3.28Å; E480-N482 PolarHBondContact O-N 3.26Å; E480-R483 VanDerWaalsContact CD-NH2 3.33Å; E480-R483 PolarHBondContact O-N 2.62Å; E480-R483 IonicContact OE1-CZ 2.76Å; E480-R483 IonicContact OE1-NE 2.96Å; E480-R483 PolarHBondContact OE1-NE 3.28Å; E480-R483 IonicContact OE1-NH2 3.89Å; E480-R483 PolarHBondContact OE1-NH2 3.24Å; E480-R483 IonicContact OE2-CZ 3.49Å; E480-R483 IonicContact OE2-NE 2.62Å; E480-R483 PolarHBondContact OE2-NE 3.16Å; E480-R483 VanDerWaalsContact OE2-NE 3.09Å; E480-R483 IonicContact OE2-NH2 3.94Å; E480-R483 PolarHBondContact OE2-NH2 3.39Å; E480-R484 WeakPolarHBondContact O-CG 3.41Å; E480-R484 PolarHBondContact O-N 3.03Å |
| 481 | R | 68.6 | Low | 58.2 | Low | 192 Ų | 192 | 89.8 Ų | 89.8 | 73% | 0.725 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 172.4 | -172.1 | -176.9 | -173.1 | 104.1 | 2.1 | 111.3 | E477 V478 I479 A485 | E477-R481 WeakPolarHBondContact O-CB 3.16Å; E477-R481 PolarHBondContact O-N 2.83Å; V478-R481 PolarHBondContact O-N 3.17Å; I479-R481 PolarHBondContact O-N 3.49Å; R481-A485 VanDerWaalsContact O-CB 3.24Å; R481-A485 WeakPolarHBondContact O-CB 3.33Å; R481-A485 PolarHBondContact O-N 3.13Å |
| 482 | N | 67.5 | Low | 58.2 | Low | 11 Ų | 11 | 89.3 Ų | 89.3 | 6% | 0.059 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177 | -72.7 | -19 | 0 | 0 | 0 | 112.1 | N438 K441 V478 I479 E480 A485 S486 | N438-N482 PolarHBondContact ND2-ND2 2.95Å; N438-N482 PolarHBondContact ND2-OD1 3.2Å; N438-N482 PolarHBondContact OD1-ND2 2.91Å; K441-N482 WeakPolarHBondContact CA-ND2 3.14Å; K441-N482 HydrophobicContact CG-CB 4.49Å; K441-N482 PolarHBondContact N-ND2 3.34Å; V478-N482 WeakPolarHBondContact O-CB 3.48Å; V478-N482 PolarHBondContact O-N 2.87Å; V478-N482 PolarHBondContact O-ND2 2.97Å; V478-N482 PolarHBondContact O-OD1 3.47Å; I479-N482 CarbonylContact O-C 3.57Å; I479-N482 WeakPolarHBondContact O-CB 3.09Å; I479-N482 PolarHBondContact O-N 3.26Å; I479-N482 VanDerWaalsContact O-N 3.15Å; E480-N482 VanDerWaalsContact C-N 3.28Å; E480-N482 PolarHBondContact O-N 3.26Å; N482-A485 PolarHBondContact O-N 2.94Å; N482-S486 VanDerWaalsContact O-CB 3.27Å; N482-S486 WeakPolarHBondContact O-CB 3.47Å; N482-S486 PolarHBondContact O-N 2.98Å; N482-S486 VanDerWaalsContact O-N 3.08Å; N482-S486 PolarHBondContact O-OG 2.96Å |
| 483 | R | 65.2 | Low | 58.2 | Low | 125 Ų | 125 | 90.8 Ų | 90.8 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -53.8 | 176.7 | -167.6 | 170.7 | 70.4 | 142.5 | -1.2 | 110.5 | I479 E480 A485 S486 E487 | I479-R483 PolarHBondContact O-N 3.49Å; E480-R483 VanDerWaalsContact CD-NH2 3.33Å; E480-R483 PolarHBondContact O-N 2.62Å; E480-R483 IonicContact OE1-CZ 2.76Å; E480-R483 IonicContact OE1-NE 2.96Å; E480-R483 PolarHBondContact OE1-NE 3.28Å; E480-R483 IonicContact OE1-NH2 3.89Å; E480-R483 PolarHBondContact OE1-NH2 3.24Å; E480-R483 IonicContact OE2-CZ 3.49Å; E480-R483 IonicContact OE2-NE 2.62Å; E480-R483 PolarHBondContact OE2-NE 3.16Å; E480-R483 VanDerWaalsContact OE2-NE 3.09Å; E480-R483 IonicContact OE2-NH2 3.94Å; E480-R483 PolarHBondContact OE2-NH2 3.39Å; R483-A485 VanDerWaalsContact C-N 3.31Å; R483-A485 PolarHBondContact O-N 3.38Å; R483-S486 PolarHBondContact O-N 3.45Å; R483-E487 PolarHBondContact O-N 3.15Å |
| 484 | R | 64.2 | Low | 58.3 | Low | 183 Ų | 183 | 95.8 Ų | 95.8 | 69% | 0.691 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.6 | -39 | 176.6 | -65.7 | 176.9 | -167.6 | -176.9 | 2.1 | 113.1 | E480 S486 | E480-R484 WeakPolarHBondContact O-CG 3.41Å; E480-R484 PolarHBondContact O-N 3.03Å; R484-S486 VanDerWaalsContact C-N 3.31Å; R484-S486 PolarHBondContact O-N 2.96Å |
| 485 | A | 63.1 | Low | 58.5 | Low | 53 Ų | 53 | 95.7 Ų | 95.7 | 44% | 0.438 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -75.1 | -17.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R481 N482 R483 | R481-A485 VanDerWaalsContact O-CB 3.24Å; R481-A485 WeakPolarHBondContact O-CB 3.33Å; R481-A485 PolarHBondContact O-N 3.13Å; N482-A485 PolarHBondContact O-N 2.94Å; R483-A485 VanDerWaalsContact C-N 3.31Å; R483-A485 PolarHBondContact O-N 3.38Å |
| 486 | S | 60 | Low | 58.6 | Low | 16 Ų | 16 | 95.9 Ų | 95.9 | 11% | 0.112 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -96.7 | -12.2 | -175.3 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | N482 R483 R484 G488 I489 Y490 | N482-S486 VanDerWaalsContact O-CB 3.27Å; N482-S486 WeakPolarHBondContact O-CB 3.47Å; N482-S486 PolarHBondContact O-N 2.98Å; N482-S486 VanDerWaalsContact O-N 3.08Å; N482-S486 PolarHBondContact O-OG 2.96Å; R483-S486 PolarHBondContact O-N 3.45Å; R484-S486 VanDerWaalsContact C-N 3.31Å; R484-S486 PolarHBondContact O-N 2.96Å; S486-G488 PolarHBondContact O-N 3.26Å; S486-I489 PolarHBondContact O-N 3.1Å; S486-Y490 WeakPolarHBondContact O-CD2 3.43Å; S486-Y490 VanDerWaalsContact O-CE2 3.3Å; S486-Y490 WeakPolarHBondContact O-CE2 3.49Å |
| 487 | E | 54.1 | Low | 59 | Low | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -16.4 | -177.5 | -79.3 | 170.9 | -174 | 0 | 0 | 115.1 | R483 | R483-E487 PolarHBondContact O-N 3.15Š|
| 488 | G | 52.7 | Low | 59.3 | Low | 76 Ų | 76 | 88.1 Ų | 88.1 | 78% | 0.784 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -8.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | S486 | S486-G488 PolarHBondContact O-N 3.26Š|
| 489 | I | 52 | Low | 60.1 | Low | 93 Ų | 93 | 88 Ų | 88 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | trans | -127.8 | 25 | -165.6 | -47.4 | 168.3 | 0 | 0 | 0 | 112.1 | S486 R491 T492 | S486-I489 PolarHBondContact O-N 3.1Å; I489-R491 PolarHBondContact O-N 3.4Å; I489-T492 PolarHBondContact O-N 3.12Å | ||
| 490 | Y | 46.1 | Very low | 60.9 | Low | 148 Ų | 148 | 87 Ų | 87 | 58% | 0.58 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -11 | -173.4 | -93.1 | -77.9 | 0 | 0 | 0 | 116.3 | S486 | S486-Y490 WeakPolarHBondContact O-CD2 3.43Å; S486-Y490 VanDerWaalsContact O-CE2 3.3Å; S486-Y490 WeakPolarHBondContact O-CE2 3.49Å |
| 491 | R | 44.8 | Very low | 61.7 | Low | 247 Ų | 247 | 84.2 Ų | 84.2 | 93% | 0.932 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -13.9 | -177.8 | -67 | -174.1 | 176.8 | 179 | -0.1 | 115.5 | I489 | I489-R491 PolarHBondContact O-N 3.4Š|
| 492 | T | 44.3 | Very low | 62.4 | Low | 117 Ų | 117 | 75.1 Ų | 75.1 | 72% | 0.718 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -23.1 | -168.7 | -19.7 | 0 | 0 | 0 | 0 | 113.8 | I489 | I489-T492 PolarHBondContact O-N 3.12Š|
| 493 | M | 51.7 | Low | 62.7 | Low | 62 Ų | 62 | 74.8 Ų | 74.8 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | trans | -103.3 | 90.5 | 173.9 | -97.2 | 162.1 | 135 | 0 | 0 | 109.2 | K441 F442 R495 | K441-M493 HydrophobicContact CD-CE 3.9Å; K441-M493 VanDerWaalsContact CE-CE 3.42Å; K441-M493 VanDerWaalsContact CE-SD 3.52Å; K441-M493 PolarHBondContact NZ-SD 3.45Å; K441-M493 VanDerWaalsContact NZ-SD 3.44Å; F442-M493 HydrophobicContact CE1-CE 3.37Å; F442-M493 HydrophobicContact CE1-CG 4.06Å; F442-M493 HydrophobicContact CE1-SD 4.5Å; F442-M493 HydrophobicContact CE2-CE 4.17Å; F442-M493 HydrophobicContact CZ-CE 3.16Å; M493-R495 PolarHBondContact O-N 3.32Å | ||
| 494 | Q | 56.6 | Low | 63 | Low | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 134.4 | 167.1 | -68 | 179.7 | -57 | 0 | 0 | 107.5 | R376 | R376-Q494 WeakPolarHBondContact CD-O 3.48Å; R376-Q494 PolarHBondContact NE-O 2.89Å; R376-Q494 PolarHBondContact NH1-O 3.43Å |
| 495 | R | 58.5 | Low | 63.4 | Low | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 167.2 | 163.8 | -74.3 | -177 | -179.3 | 148.5 | -4.2 | 109 | R376 E445 M493 | R376-R495 PolarHBondContact NH1-O 3.29Å; R376-R495 PolarHBondContact NH2-O 2.92Å; E445-R495 IonicContact OE2-CZ 3.12Å; E445-R495 IonicContact OE2-NH1 3.76Å; E445-R495 PolarHBondContact OE2-NH1 2.98Å; M493-R495 PolarHBondContact O-N 3.32Å |
| 496 | S | 63.3 | Low | 63.7 | Low | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 138 | 170.1 | -173 | 0 | 0 | 0 | 0 | 107.6 | R376 E384 F442 | R376-S496 VanDerWaalsContact NH2-CA 3.31Å; E384-S496 VanDerWaalsContact CD-OG 3.24Å; E384-S496 VanDerWaalsContact OE1-CB 3.24Å; E384-S496 WeakPolarHBondContact OE1-CB 3.47Å; E384-S496 PolarHBondContact OE1-OG 2.88Å; E384-S496 PolarHBondContact OE2-OG 3.48Å; E384-S496 VanDerWaalsContact OE2-OG 3.06Å; F442-S496 PolarHBondContact O-N 3.4Å |
| 497 | E | 66.4 | Low | 64.2 | Low | 69 Ų | 69 | 59.3 Ų | 59.3 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 118.1 | 170.3 | -67.2 | 167.5 | 169.3 | 0 | 0 | 106.6 | R276 F499 G580 | R276-E497 PolarHBondContact NH2-O 2.9Å; E497-F499 PolarHBondContact O-N 2.66Å; E497-G580 WeakPolarHBondContact OE2-CA 3.34Å |
| 498 | G | 68.9 | Low | 64.4 | Low | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -61.7 | 99 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D444 S578 | D444-G498 PolarHBondContact OD2-N 3.36Å; G498-S578 VanDerWaalsContact C-OG 3.29Å; G498-S578 WeakPolarHBondContact O-CB 3.05Å; G498-S578 PolarHBondContact O-OG 3.03Å | ||
| 499 | F | 82 | Confident | 64.3 | Low | 16 Ų | 16 | 58.9 Ų | 58.9 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | trans | -111.3 | 115.2 | 176.5 | 175.1 | -118.5 | 0 | 0 | 0 | 108.7 | R276 S333 Y334 E497 P501 | R276-F499 HydrophobicContact CG-CB 4.36Å; R276-F499 HydrophobicContact CG-CD1 3.82Å; R276-F499 HydrophobicContact CG-CD2 4.22Å; R276-F499 HydrophobicContact CG-CE1 4.08Å; R276-F499 HydrophobicContact CG-CE2 4.49Å; R276-F499 HydrophobicContact CG-CG 3.87Å; R276-F499 HydrophobicContact CG-CZ 4.4Å; R276-F499 VanDerWaalsContact NH2-CB 3.3Å; S333-F499 WeakPolarHBondContact CB-O 3.45Å; S333-F499 PolarHBondContact OG-O 2.93Å; Y334-F499 HydrophobicContact CE2-CE1 4.25Å; E497-F499 PolarHBondContact O-N 2.66Å; F499-P501 HydrophobicContact CD1-CG 4.2Å; F499-P501 HydrophobicContact CE1-CG 3.6Å; F499-P501 HydrophobicContact CE2-CG 4.15Å; F499-P501 HydrophobicContact CZ-CB 4.39Å; F499-P501 HydrophobicContact CZ-CG 3.59Å | ||
| 500 | F | 83.3 | Confident | 64.2 | Low | 14 Ų | 14 | 57.6 Ų | 57.6 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | trans | -134.9 | 100.5 | 179.9 | -60.5 | -76.9 | 0 | 0 | 0 | 108.5 | A336 Q387 Y391 V447 F502 D503 Y575 | A336-F500 HydrophobicContact CB-CD1 4.17Å; A336-F500 HydrophobicContact CB-CE1 3.96Å; Q387-F500 HydrophobicContact CG-CZ 3.91Å; Y391-F500 AromaticContact CD1-CD1 3.8Å; Y391-F500 HydrophobicContact CD1-CD1 3.8Å; Y391-F500 AromaticContact CD1-CE1 3.8Å; Y391-F500 HydrophobicContact CD1-CE1 3.8Å; Y391-F500 AromaticContact CD2-CD1 3.75Å; Y391-F500 HydrophobicContact CD2-CD1 3.75Å; Y391-F500 AromaticContact CD2-CD2 3.8Å; Y391-F500 HydrophobicContact CD2-CD2 3.8Å; Y391-F500 AromaticContact CD2-CE1 3.5Å; Y391-F500 HydrophobicContact CD2-CE1 3.5Å; Y391-F500 AromaticContact CD2-CE2 3.55Å; Y391-F500 HydrophobicContact CD2-CE2 3.55Å; Y391-F500 AromaticContact CD2-CG 3.88Å; Y391-F500 HydrophobicContact CD2-CG 3.88Å; Y391-F500 AromaticContact CD2-CZ 3.39Å; Y391-F500 HydrophobicContact CD2-CZ 3.39Å; Y391-F500 AromaticContact CE1-CD1 3.91Å; Y391-F500 HydrophobicContact CE1-CD1 3.91Å; Y391-F500 HydrophobicContact CE1-CE1 4.36Å; Y391-F500 HydrophobicContact CE1-CG 4.28Å; Y391-F500 HydrophobicContact CE2-CB 4.16Å; Y391-F500 AromaticContact CE2-CD1 3.84Å; Y391-F500 HydrophobicContact CE2-CD1 3.84Å; Y391-F500 AromaticContact CE2-CD2 3.63Å; Y391-F500 HydrophobicContact CE2-CD2 3.63Å; Y391-F500 HydrophobicContact CE2-CE1 4.09Å; Y391-F500 AromaticContact CE2-CE2 3.9Å; Y391-F500 HydrophobicContact CE2-CE2 3.9Å; Y391-F500 AromaticContact CE2-CG 3.59Å; Y391-F500 HydrophobicContact CE2-CG 3.59Å; Y391-F500 HydrophobicContact CE2-CZ 4.11Å; Y391-F500 AromaticContact CG-CD1 3.74Å; Y391-F500 HydrophobicContact CG-CD1 3.74Å; Y391-F500 AromaticContact CG-CE1 3.35Å; Y391-F500 HydrophobicContact CG-CE1 3.35Å; Y391-F500 HydrophobicContact CG-CE2 4.27Å; Y391-F500 HydrophobicContact CG-CG 4.34Å; Y391-F500 AromaticContact CG-CZ 3.64Å; Y391-F500 HydrophobicContact CG-CZ 3.64Å; Y391-F500 AromaticContact CZ-CD1 3.96Å; Y391-F500 AromaticContact CZ-CG 3.86Å; V447-F500 HydrophobicContact CG2-CE2 3.66Å; V447-F500 HydrophobicContact CG2-CZ 3.85Å; F500-F502 VanDerWaalsContact C-N 3.33Å; F500-F502 PolarHBondContact O-N 3.2Å; F500-D503 WeakPolarHBondContact CB-OD1 3.33Å; F500-Y575 AromaticContact CD2-CD1 3.72Å; F500-Y575 HydrophobicContact CD2-CD1 3.72Å; F500-Y575 AromaticContact CD2-CE1 3.82Å; F500-Y575 HydrophobicContact CD2-CE1 3.82Å; F500-Y575 HydrophobicContact CD2-CG 4.39Å; F500-Y575 HydrophobicContact CE2-CD1 4.19Å; F500-Y575 AromaticContact CE2-CE1 3.85Å; F500-Y575 HydrophobicContact CE2-CE1 3.85Å | ||
| 501 | P | 82.5 | Confident | 63.8 | Low | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.7 | -166.3 | -28.2 | 36.8 | 0 | 0 | 0 | 117.4 | P282 F283 Y334 F499 | P282-P501 HydrophobicContact CB-CB 3.92Å; P282-P501 HydrophobicContact CG-CB 3.94Å; F283-P501 WeakPolarHBondContact CE2-O 3.39Å; Y334-P501 HydrophobicContact CD1-CB 3.94Å; Y334-P501 HydrophobicContact CD1-CG 3.64Å; Y334-P501 HydrophobicContact CD2-CG 4.33Å; Y334-P501 HydrophobicContact CE1-CB 3.56Å; Y334-P501 HydrophobicContact CE1-CG 3.45Å; Y334-P501 VanDerWaalsContact CE1-CG 3.45Å; Y334-P501 HydrophobicContact CE2-CG 4.15Å; Y334-P501 HydrophobicContact CG-CG 4.06Å; F499-P501 HydrophobicContact CD1-CG 4.2Å; F499-P501 HydrophobicContact CE1-CG 3.6Å; F499-P501 HydrophobicContact CE2-CG 4.15Å; F499-P501 HydrophobicContact CZ-CB 4.39Å; F499-P501 HydrophobicContact CZ-CG 3.59Å |
| 502 | F | 82.2 | Confident | 63.4 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 25.4 | -171.7 | -56.8 | -70.3 | 0 | 0 | 0 | 113.5 | P282 L286 Y334 S337 L338 R341 F500 | P282-F502 HydrophobicContact CB-CD1 4.36Å; P282-F502 HydrophobicContact CB-CE1 3.85Å; P282-F502 HydrophobicContact CB-CZ 4.27Å; P282-F502 VanDerWaalsContact O-CE1 3.27Å; P282-F502 WeakPolarHBondContact O-CE1 3.43Å; L286-F502 HydrophobicContact CB-CD1 4.02Å; L286-F502 HydrophobicContact CB-CE1 3.79Å; L286-F502 HydrophobicContact CD2-CD1 4.27Å; Y334-F502 AromaticContact CD1-CE2 3.81Å; Y334-F502 HydrophobicContact CD1-CE2 3.81Å; Y334-F502 HydrophobicContact CD1-CZ 4.07Å; Y334-F502 HydrophobicContact CE1-CZ 4.46Å; S337-F502 WeakPolarHBondContact OG-CA 3.41Å; S337-F502 VanDerWaalsContact OG-CB 3.3Å; S337-F502 WeakPolarHBondContact OG-CB 3.32Å; S337-F502 PolarHBondContact OG-N 3.11Å; L338-F502 HydrophobicContact CB-CD2 4.1Å; L338-F502 HydrophobicContact CB-CE2 3.92Å; L338-F502 HydrophobicContact CD1-CE2 4.15Å; L338-F502 HydrophobicContact CD1-CZ 4.43Å; R341-F502 HydrophobicContact CB-CB 4.12Å; R341-F502 WeakPolarHBondContact CB-O 3.3Å; R341-F502 HydrophobicContact CG-CB 4.4Å; R341-F502 VanDerWaalsContact CG-O 3.23Å; R341-F502 WeakPolarHBondContact CG-O 3.45Å; F500-F502 VanDerWaalsContact C-N 3.33Å; F500-F502 PolarHBondContact O-N 3.2Å |
| 503 | D | 73.8 | Confident | 63 | Low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -73.1 | -62.3 | -167.1 | -89 | 40.9 | 0 | 0 | 0 | 114.9 | S337 R341 Y391 F500 Y575 | S337-D503 PolarHBondContact OG-OD1 2.89Å; R341-D503 VanDerWaalsContact CZ-C 3.48Å; R341-D503 VanDerWaalsContact CZ-CA 3.48Å; R341-D503 IonicContact CZ-OD2 3.42Å; R341-D503 IonicContact NE-OD1 3.09Å; R341-D503 IonicContact NE-OD2 3.42Å; R341-D503 PolarHBondContact NH1-O 3.38Å; R341-D503 VanDerWaalsContact NH2-CA 3.32Å; R341-D503 VanDerWaalsContact NH2-CB 3.29Å; R341-D503 PolarHBondContact NH2-O 2.84Å; R341-D503 VanDerWaalsContact NH2-O 3.11Å; R341-D503 IonicContact NH2-OD1 2.89Å; R341-D503 IonicContact NH2-OD2 2.75Å; R341-D503 PolarHBondContact NH2-OD2 2.9Å; Y391-D503 PolarHBondContact OH-OD1 3.29Å; Y391-D503 PolarHBondContact OH-OD2 3.15Å; F500-D503 WeakPolarHBondContact CB-OD1 3.33Å; D503-Y575 VanDerWaalsContact OD2-CB 3.32Å; D503-Y575 WeakPolarHBondContact OD2-CB 3.07Å; D503-Y575 WeakPolarHBondContact OD2-CD2 3.46Å; D503-Y575 VanDerWaalsContact OD2-CG 3.24Å |
| 504 | A | 72.7 | Confident | 62.1 | Low | 36 Ų | 36 | 54.2 Ų | 54.2 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -134.7 | 159.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | P506 H576 | A504-P506 VanDerWaalsContact O-CD 3.28Å; A504-P506 WeakPolarHBondContact O-CD 3.48Å; A504-H576 WeakPolarHBondContact CB-NE2 3.19Å; A504-H576 PolarHBondContact O-CE1 3.47Å; A504-H576 PolarHBondContact O-NE2 3.49Å |
| 505 | Y | 71.8 | Confident | 60.9 | Low | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | trans | -83.6 | 111.9 | 177.3 | -169.6 | -119.6 | 0 | 0 | 0 | 109 | L234 C280 F283 L507 E508 S527 A528 I531 Y535 | L234-Y505 WeakPolarHBondContact CD1-OH 3.47Å; C280-Y505 HydrophobicContact CB-CE2 4.14Å; F283-Y505 HydrophobicContact CB-CD2 4.24Å; F283-Y505 HydrophobicContact CB-CE2 4.09Å; F283-Y505 AromaticContact CD1-CD2 3.88Å; F283-Y505 HydrophobicContact CD1-CD2 3.88Å; F283-Y505 AromaticContact CD2-CD2 3.59Å; F283-Y505 HydrophobicContact CD2-CD2 3.59Å; F283-Y505 AromaticContact CD2-CE2 3.99Å; F283-Y505 HydrophobicContact CD2-CE2 3.99Å; F283-Y505 HydrophobicContact CE1-CD2 4.05Å; F283-Y505 HydrophobicContact CE1-CG 4.5Å; F283-Y505 AromaticContact CE2-CD2 3.79Å; F283-Y505 HydrophobicContact CE2-CD2 3.79Å; F283-Y505 AromaticContact CG-CD2 3.63Å; F283-Y505 HydrophobicContact CG-CD2 3.63Å; F283-Y505 AromaticContact CG-CE2 3.96Å; F283-Y505 HydrophobicContact CG-CE2 3.96Å; F283-Y505 AromaticContact CZ-CD2 4Å; F283-Y505 HydrophobicContact CZ-CD2 4Å; Y505-L507 HydrophobicContact CD1-CB 4.13Å; Y505-L507 HydrophobicContact CE1-CB 3.64Å; Y505-L507 HydrophobicContact CE1-CD1 4.29Å; Y505-L507 HydrophobicContact CE1-CG 4.34Å; Y505-L507 PolarHBondContact O-N 2.89Å; Y505-L507 VanDerWaalsContact O-N 3.08Å; Y505-E508 HydrophobicContact CD1-CG 4.19Å; Y505-E508 PolarHBondContact O-N 3.27Å; Y505-S527 VanDerWaalsContact CE1-OG 3.3Å; Y505-S527 WeakPolarHBondContact CE1-OG 3.21Å; Y505-S527 VanDerWaalsContact OH-CB 3.3Å; Y505-S527 WeakPolarHBondContact OH-CB 3.27Å; Y505-S527 PolarHBondContact OH-OG 2.83Å; Y505-A528 HydrophobicContact CD1-CB 4.04Å; Y505-A528 HydrophobicContact CE1-CB 4.16Å; Y505-I531 HydrophobicContact CD1-CD1 4Å; Y505-I531 HydrophobicContact CD2-CD1 3.64Å; Y505-I531 HydrophobicContact CD2-CG2 4.35Å; Y505-I531 HydrophobicContact CE1-CD1 3.68Å; Y505-I531 HydrophobicContact CE2-CD1 3.3Å; Y505-I531 HydrophobicContact CG-CD1 3.97Å; Y505-I531 HydrophobicContact CG-CG2 4.11Å; Y505-Y535 PolarHBondContact N-OH 2.84Å | ||
| 506 | P | 70.6 | Confident | 59.8 | Low | 12 Ų | 12 | 57.7 Ų | 57.7 | 8% | 0.078 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -60.8 | -28 | -169.9 | -18.1 | 26.8 | 0 | 0 | 0 | 113.7 | Y190 A504 E508 | Y190-P506 HydrophobicContact CE1-CB 3.75Å; Y190-P506 HydrophobicContact CE1-CG 4.29Å; Y190-P506 WeakPolarHBondContact OH-CB 3.42Å; A504-P506 VanDerWaalsContact O-CD 3.28Å; A504-P506 WeakPolarHBondContact O-CD 3.48Å; P506-E508 VanDerWaalsContact C-N 3.28Å; P506-E508 PolarHBondContact O-N 2.76Å |
| 507 | L | 69.2 | Low | 58.5 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -83.6 | 0.1 | -173.3 | -57.9 | 174.1 | 0 | 0 | 0 | 113.3 | L230 D231 L234 C280 Y505 E509 L510 | L230-L507 HydrophobicContact CB-CD1 4.1Å; D231-L507 HydrophobicContact CB-CD1 4.13Å; L234-L507 HydrophobicContact CD1-CD1 4.17Å; C280-L507 HydrophobicContact CB-CD1 4.29Å; Y505-L507 HydrophobicContact CD1-CB 4.13Å; Y505-L507 HydrophobicContact CE1-CB 3.64Å; Y505-L507 HydrophobicContact CE1-CD1 4.29Å; Y505-L507 HydrophobicContact CE1-CG 4.34Å; Y505-L507 PolarHBondContact O-N 2.89Å; Y505-L507 VanDerWaalsContact O-N 3.08Å; L507-E509 VanDerWaalsContact C-N 3.26Å; L507-E509 PolarHBondContact O-N 3.48Å; L507-L510 HydrophobicContact CD2-CD1 4.08Å |
| 508 | E | 60 | Low | 57.2 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 21% | 0.21 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -63.8 | -31.1 | 172.1 | -82.2 | 172 | -164.1 | 0 | 0 | 112.4 | Y505 P506 L510 S511 A528 Y535 | Y505-E508 HydrophobicContact CD1-CG 4.19Å; Y505-E508 PolarHBondContact O-N 3.27Å; P506-E508 VanDerWaalsContact C-N 3.28Å; P506-E508 PolarHBondContact O-N 2.76Å; E508-L510 VanDerWaalsContact C-N 3.27Å; E508-L510 PolarHBondContact O-N 3.07Å; E508-S511 VanDerWaalsContact O-CB 3.27Å; E508-S511 WeakPolarHBondContact O-CB 3.23Å; E508-S511 PolarHBondContact O-N 2.74Å; E508-S511 PolarHBondContact O-OG 3.28Å; E508-A528 HydrophobicContact CG-CB 3.71Å; E508-Y535 WeakPolarHBondContact OE1-CE1 3.43Å; E508-Y535 PolarHBondContact OE1-OH 2.81Å; E508-Y535 PolarHBondContact OE2-OH 3.12Å |
| 509 | E | 49.8 | Very low | 55.7 | Low | 155 Ų | 155 | 73.7 Ų | 73.7 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -67.7 | -23.5 | -176.4 | -68.1 | -176.6 | 178.5 | 0 | 0 | 113.5 | L507 S511 F512 | L507-E509 VanDerWaalsContact C-N 3.26Å; L507-E509 PolarHBondContact O-N 3.48Å; E509-S511 PolarHBondContact O-N 3.33Å; E509-F512 PolarHBondContact O-N 3.2Å; E509-F512 VanDerWaalsContact O-N 3.13Å |
| 510 | L | 48.8 | Very low | 53.5 | Low | 67 Ų | 67 | 75.3 Ų | 75.3 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.8 | 173.6 | -72.4 | 170 | 0 | 0 | 0 | 112.3 | L507 E508 F512 | L507-L510 HydrophobicContact CD2-CD1 4.08Å; E508-L510 VanDerWaalsContact C-N 3.27Å; E508-L510 PolarHBondContact O-N 3.07Å; L510-F512 PolarHBondContact O-N 3.16Å |
| 511 | S | 38.4 | Very low | 51 | Low | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -69.5 | -19.1 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 113.2 | E508 E509 K521 | E508-S511 VanDerWaalsContact O-CB 3.27Å; E508-S511 WeakPolarHBondContact O-CB 3.23Å; E508-S511 PolarHBondContact O-N 2.74Å; E508-S511 PolarHBondContact O-OG 3.28Å; E509-S511 PolarHBondContact O-N 3.33Å; S511-K521 PolarHBondContact O-NZ 2.97Å |
| 512 | F | 36.7 | Very low | 48.5 | Very low | 185 Ų | 185 | 91 Ų | 91 | 81% | 0.811 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -19.9 | -170.1 | -152.7 | -100.4 | 0 | 0 | 0 | 114.5 | E509 L510 | E509-F512 PolarHBondContact O-N 3.2Å; E509-F512 VanDerWaalsContact O-N 3.13Å; L510-F512 PolarHBondContact O-N 3.16Å |
| 513 | F | 35.5 | Very low | 46.5 | Very low | 198 Ų | 198 | 98.1 Ų | 98.1 | 87% | 0.868 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -95.1 | 9.6 | -169.9 | -112.8 | -87.7 | 0 | 0 | 0 | 117.4 | ||
| 514 | G | 33.2 | Very low | 45.3 | Very low | 56 Ų | 56 | 100.6 Ų | 100.6 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | trans | -138.5 | 98.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T516 | G514-T516 PolarHBondContact O-N 3.49Š| ||
| 515 | V | 31.4 | Very low | 44.4 | Very low | 155 Ų | 155 | 101.7 Ų | 101.7 | 94% | 0.939 | 52% | 0.523 | S | S | * | . | trans | -71.5 | 75.6 | 164.6 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 516 | T | 34.6 | Very low | 44.3 | Very low | 117 Ų | 117 | 103 Ų | 103 | 72% | 0.718 | 53% | 0.533 | S | S | * | . | trans | -149.9 | 110.9 | 172.3 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | G514 | G514-T516 PolarHBondContact O-N 3.49Š| ||
| 517 | L | 36.9 | Very low | 44.5 | Very low | 115 Ų | 115 | 102.5 Ų | 102.5 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | trans | 54.7 | 90.4 | 169.9 | -82.9 | 102.3 | 0 | 0 | 0 | 118.7 | I519 V520 | L517-I519 PolarHBondContact O-N 2.96Å; L517-V520 HydrophobicContact CB-CG2 4.13Å; L517-V520 HydrophobicContact CD2-CG2 4.18Å; L517-V520 PolarHBondContact O-N 3.39Å | ||
| 518 | L | 38 | Very low | 44.8 | Very low | 151 Ų | 151 | 103 Ų | 103 | 79% | 0.791 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -7.4 | 166.8 | -81.5 | 157.4 | 0 | 0 | 0 | 116.1 | ||
| 519 | I | 37.7 | Very low | 45.8 | Very low | 146 Ų | 146 | 107.4 Ų | 107.4 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -25.9 | -179.2 | -65.2 | 169 | 0 | 0 | 0 | 112.1 | L517 | L517-I519 PolarHBondContact O-N 2.96Š|
| 520 | V | 37 | Very low | 47 | Very low | 51 Ų | 51 | 101.4 Ų | 101.4 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -27.5 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | E101 L517 W522 L523 Y524 | E101-V520 HydrophobicContact CB-CG1 4.15Å; E101-V520 HydrophobicContact CG-CG1 3.88Å; L517-V520 HydrophobicContact CB-CG2 4.13Å; L517-V520 HydrophobicContact CD2-CG2 4.18Å; L517-V520 PolarHBondContact O-N 3.39Å; V520-W522 PolarHBondContact O-N 3.31Å; V520-L523 PolarHBondContact O-N 3.1Å; V520-Y524 HydrophobicContact CG1-CD2 4.33Å |
| 521 | K | 30.2 | Very low | 48.5 | Very low | 129 Ų | 129 | 98.2 Ų | 98.2 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20 | 179.5 | -162 | 168.2 | -175.4 | 169.7 | 0 | 114.2 | S511 | S511-K521 PolarHBondContact O-NZ 2.97Š|
| 522 | W | 29.8 | Very low | 50.1 | Low | 220 Ų | 220 | 97.7 Ų | 97.7 | 83% | 0.833 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -21 | 176.5 | -80.4 | 97.7 | 0 | 0 | 0 | 114.2 | V520 | V520-W522 PolarHBondContact O-N 3.31Š|
| 523 | L | 39.4 | Very low | 51.9 | Low | 149 Ų | 149 | 91.3 Ų | 91.3 | 78% | 0.78 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.4 | 178.4 | -127.9 | 82.5 | 0 | 0 | 0 | 112.6 | V520 | V520-L523 PolarHBondContact O-N 3.1Š|
| 524 | Y | 50 | Low | 53.7 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 22% | 0.224 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -114.4 | 91.5 | -179 | -74.4 | -91.6 | 0 | 0 | 0 | 109.2 | V100 E101 D104 V520 S526 | V100-Y524 HydrophobicContact CB-CE1 4.35Å; V100-Y524 HydrophobicContact CG1-CE1 3.62Å; V100-Y524 PolarHBondContact O-OH 3.04Å; E101-Y524 WeakPolarHBondContact CA-OH 3.34Å; E101-Y524 HydrophobicContact CB-CE2 4.01Å; E101-Y524 HydrophobicContact CG-CD2 3.72Å; E101-Y524 HydrophobicContact CG-CE1 4.43Å; E101-Y524 HydrophobicContact CG-CE2 3.59Å; E101-Y524 HydrophobicContact CG-CG 4.2Å; D104-Y524 VanDerWaalsContact CB-OH 3.31Å; D104-Y524 WeakPolarHBondContact CB-OH 3.24Å; D104-Y524 VanDerWaalsContact CG-OH 3.26Å; D104-Y524 PolarHBondContact OD2-OH 3.43Å; V520-Y524 HydrophobicContact CG1-CD2 4.33Å; Y524-S526 PolarHBondContact O-N 3.27Å |
| 525 | C | 52.5 | Low | 55.6 | Low | 59 Ų | 59 | 80.7 Ų | 80.7 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | trans | -67 | 114.7 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 108.7 | S235 F530 | S235-C525 VanDerWaalsContact CB-O 3.26Å; S235-C525 WeakPolarHBondContact CB-O 3.39Å; S235-C525 PolarHBondContact OG-O 3.2Å; C525-F530 HydrophobicContact CB-CE2 4.22Å | ||
| 526 | S | 69.8 | Low | 57.4 | Low | 32 Ų | 32 | 74.7 Ų | 74.7 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | trans | -61.6 | 142.1 | 166.8 | 178 | 0 | 0 | 0 | 0 | 109.1 | D231 Y524 A528 H529 | D231-S526 PolarHBondContact OD1-OG 3.39Å; D231-S526 PolarHBondContact OD2-OG 3.25Å; Y524-S526 PolarHBondContact O-N 3.27Å; S526-A528 PolarHBondContact O-N 3.43Å; S526-A528 VanDerWaalsContact O-N 3.09Å; S526-H529 VanDerWaalsContact O-CB 3.29Å; S526-H529 WeakPolarHBondContact O-CB 3.45Å; S526-H529 PolarHBondContact O-N 2.98Å | ||
| 527 | S | 75.2 | Confident | 58.9 | Low | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -56.9 | -26.2 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | D231 Y505 H529 F530 | D231-S527 WeakPolarHBondContact OD1-CB 3.48Å; D231-S527 PolarHBondContact OD1-N 3.22Å; D231-S527 PolarHBondContact OD1-OG 2.72Å; Y505-S527 VanDerWaalsContact CE1-OG 3.3Å; Y505-S527 WeakPolarHBondContact CE1-OG 3.21Å; Y505-S527 VanDerWaalsContact OH-CB 3.3Å; Y505-S527 WeakPolarHBondContact OH-CB 3.27Å; Y505-S527 PolarHBondContact OH-OG 2.83Å; S527-H529 PolarHBondContact O-N 2.95Å; S527-F530 PolarHBondContact O-N 3.47Å; S527-F530 VanDerWaalsContact O-N 3.14Å |
| 528 | A | 76 | Confident | 60 | Low | 11 Ų | 11 | 72.4 Ų | 72.4 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -57 | -31.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y505 E508 S526 F530 I531 S532 | Y505-A528 HydrophobicContact CD1-CB 4.04Å; Y505-A528 HydrophobicContact CE1-CB 4.16Å; E508-A528 HydrophobicContact CG-CB 3.71Å; S526-A528 PolarHBondContact O-N 3.43Å; S526-A528 VanDerWaalsContact O-N 3.09Å; A528-F530 PolarHBondContact O-N 2.87Å; A528-I531 PolarHBondContact O-N 2.97Å; A528-S532 PolarHBondContact O-N 3.4Å; A528-S532 PolarHBondContact O-OG 3.32Å |
| 529 | H | 80.4 | Confident | 60.8 | Low | 139 Ų | 139 | 70.8 Ų | 70.8 | 64% | 0.644 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -60.6 | -33 | 178.6 | -177.6 | 64.2 | 0 | 0 | 0 | 112.7 | S526 S527 I531 | S526-H529 VanDerWaalsContact O-CB 3.29Å; S526-H529 WeakPolarHBondContact O-CB 3.45Å; S526-H529 PolarHBondContact O-N 2.98Å; S527-H529 PolarHBondContact O-N 2.95Å; H529-I531 VanDerWaalsContact C-N 3.28Å; H529-I531 PolarHBondContact O-N 3.41Å |
| 530 | F | 76 | Confident | 61.2 | Low | 28 Ų | 28 | 67.7 Ų | 67.7 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -78.2 | -14.8 | 178.5 | -63.2 | -84.8 | 0 | 0 | 0 | 112.9 | F238 V239 Y287 C525 S527 A528 L534 | F238-F530 HydrophobicContact CB-CB 4.29Å; F238-F530 HydrophobicContact CB-CD1 3.84Å; F238-F530 HydrophobicContact CB-CD2 3.7Å; F238-F530 HydrophobicContact CB-CE1 4.01Å; F238-F530 HydrophobicContact CB-CE2 3.88Å; F238-F530 HydrophobicContact CB-CG 3.67Å; F238-F530 HydrophobicContact CB-CZ 4.03Å; F238-F530 HydrophobicContact CD1-CB 4.38Å; F238-F530 HydrophobicContact CD2-CB 4.09Å; F238-F530 AromaticContact CD2-CD2 3.94Å; F238-F530 HydrophobicContact CD2-CD2 3.94Å; F238-F530 HydrophobicContact CD2-CG 4.15Å; F238-F530 HydrophobicContact CG-CB 4.01Å; F238-F530 HydrophobicContact CG-CD1 4.46Å; F238-F530 HydrophobicContact CG-CD2 4.05Å; F238-F530 AromaticContact CG-CG 3.93Å; F238-F530 HydrophobicContact CG-CG 3.93Å; V239-F530 HydrophobicContact CG2-CZ 3.85Å; Y287-F530 HydrophobicContact CD2-CB 4.28Å; Y287-F530 HydrophobicContact CE2-CB 4.37Å; Y287-F530 HydrophobicContact CE2-CD1 4.18Å; C525-F530 HydrophobicContact CB-CE2 4.22Å; S527-F530 PolarHBondContact O-N 3.47Å; S527-F530 VanDerWaalsContact O-N 3.14Å; A528-F530 PolarHBondContact O-N 2.87Å; F530-L534 WeakPolarHBondContact O-CD1 3.36Å; F530-L534 WeakPolarHBondContact O-CG 3.07Å |
| 531 | I | 78.9 | Confident | 61 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -37.2 | -165 | -65.5 | 167 | 0 | 0 | 0 | 113.1 | F238 F283 Y505 A528 H529 G533 L534 Y535 | F238-I531 HydrophobicContact CE2-CD1 3.87Å; F238-I531 HydrophobicContact CE2-CG1 4.38Å; F238-I531 HydrophobicContact CZ-CD1 3.83Å; F238-I531 HydrophobicContact CZ-CG1 4.17Å; F283-I531 HydrophobicContact CB-CD1 3.64Å; F283-I531 HydrophobicContact CB-CG1 4.32Å; F283-I531 HydrophobicContact CD1-CB 4.49Å; F283-I531 HydrophobicContact CD1-CD1 4.14Å; F283-I531 HydrophobicContact CD1-CG1 4.39Å; F283-I531 HydrophobicContact CD1-CG2 3.33Å; F283-I531 HydrophobicContact CE1-CG2 3.66Å; F283-I531 HydrophobicContact CG-CD1 4.12Å; F283-I531 HydrophobicContact CG-CG2 4.33Å; Y505-I531 HydrophobicContact CD1-CD1 4Å; Y505-I531 HydrophobicContact CD2-CD1 3.64Å; Y505-I531 HydrophobicContact CD2-CG2 4.35Å; Y505-I531 HydrophobicContact CE1-CD1 3.68Å; Y505-I531 HydrophobicContact CE2-CD1 3.3Å; Y505-I531 HydrophobicContact CG-CD1 3.97Å; Y505-I531 HydrophobicContact CG-CG2 4.11Å; A528-I531 PolarHBondContact O-N 2.97Å; H529-I531 VanDerWaalsContact C-N 3.28Å; H529-I531 PolarHBondContact O-N 3.41Å; I531-G533 PolarHBondContact O-N 3.15Å; I531-L534 WeakPolarHBondContact O-CA 3.24Å; I531-L534 VanDerWaalsContact O-CB 3.29Å; I531-L534 WeakPolarHBondContact O-CB 3.37Å; I531-L534 PolarHBondContact O-N 2.97Å; I531-Y535 HydrophobicContact CG2-CD1 3.77Å; I531-Y535 HydrophobicContact CG2-CE1 3.75Å; I531-Y535 WeakPolarHBondContact O-CD1 3.28Å |
| 532 | S | 72.5 | Confident | 60.8 | Low | 53 Ų | 53 | 67.6 Ų | 67.6 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -30.9 | -172 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | A528 L534 | A528-S532 PolarHBondContact O-N 3.4Å; A528-S532 PolarHBondContact O-OG 3.32Å; S532-L534 PolarHBondContact O-N 3.27Å |
| 533 | G | 74.1 | Confident | 61 | Low | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | K343 I531 | K343-G533 WeakPolarHBondContact CD-O 3.31Å; I531-G533 PolarHBondContact O-N 3.15Å |
| 534 | L | 74.2 | Confident | 60.7 | Low | 29 Ų | 29 | 63.5 Ų | 63.5 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -18.3 | -164.1 | -55.8 | -171.5 | 0 | 0 | 0 | 115.1 | L286 Y287 S290 K343 F530 I531 S532 | L286-L534 HydrophobicContact CD2-CB 4.34Å; L286-L534 HydrophobicContact CG-CB 4.47Å; Y287-L534 HydrophobicContact CD2-CD1 4.07Å; S290-L534 WeakPolarHBondContact OG-CD1 3.42Å; S290-L534 WeakPolarHBondContact OG-CD2 3.38Å; K343-L534 WeakPolarHBondContact CB-O 3.5Å; K343-L534 PolarHBondContact N-O 2.95Å; F530-L534 WeakPolarHBondContact O-CD1 3.36Å; F530-L534 WeakPolarHBondContact O-CG 3.07Å; I531-L534 WeakPolarHBondContact O-CA 3.24Å; I531-L534 VanDerWaalsContact O-CB 3.29Å; I531-L534 WeakPolarHBondContact O-CB 3.37Å; I531-L534 PolarHBondContact O-N 2.97Å; S532-L534 PolarHBondContact O-N 3.27Å |
| 535 | Y | 73.2 | Confident | 59.8 | Low | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -126.7 | 153.8 | -177.8 | 73.4 | -77.5 | 0 | 0 | 0 | 113 | F283 R341 K343 Y505 E508 I531 E537 | F283-Y535 HydrophobicContact CE1-CD1 4.3Å; R341-Y535 CarbonylContact O-C 3.56Å; R341-Y535 WeakPolarHBondContact O-CA 3.14Å; R341-Y535 WeakPolarHBondContact O-CB 3.34Å; K343-Y535 WeakPolarHBondContact CD-O 3.25Å; K343-Y535 WeakPolarHBondContact CE-O 3.41Å; K343-Y535 PolarHBondContact NZ-O 2.85Å; Y505-Y535 PolarHBondContact N-OH 2.84Å; E508-Y535 WeakPolarHBondContact OE1-CE1 3.43Å; E508-Y535 PolarHBondContact OE1-OH 2.81Å; E508-Y535 PolarHBondContact OE2-OH 3.12Å; I531-Y535 HydrophobicContact CG2-CD1 3.77Å; I531-Y535 HydrophobicContact CG2-CE1 3.75Å; I531-Y535 WeakPolarHBondContact O-CD1 3.28Å; Y535-E537 HydrophobicContact CD2-CG 4.45Å; Y535-E537 HydrophobicContact CE2-CG 3.77Å |
| 536 | N | 68.1 | Low | 58.9 | Low | 30 Ų | 30 | 73.9 Ų | 73.9 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | trans | -82 | 112.6 | 172.1 | -74.9 | -11.8 | 0 | 0 | 0 | 108.9 | R341 K343 R396 E399 | R341-N536 WeakPolarHBondContact CD-O 3.31Å; R341-N536 PolarHBondContact NH1-O 3.4Å; R341-N536 PolarHBondContact O-N 3.09Å; K343-N536 WeakPolarHBondContact CE-OD1 3.3Å; K343-N536 WeakPolarHBondContact CG-OD1 3.33Å; R396-N536 PolarHBondContact NH1-ND2 3.49Å; R396-N536 VanDerWaalsContact NH1-ND2 3.11Å; E399-N536 PolarHBondContact OE1-ND2 3.08Å | ||
| 537 | E | 66.8 | Low | 57.1 | Low | 121 Ų | 121 | 78.1 Ų | 78.1 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | trans | -65.2 | 149.5 | 162.7 | -72.2 | 171.2 | -146.2 | 0 | 0 | 109.7 | Y535 D539 | Y535-E537 HydrophobicContact CD2-CG 4.45Å; Y535-E537 HydrophobicContact CE2-CG 3.77Å; E537-D539 PolarHBondContact O-N 3.33Å | ||
| 538 | Y | 61.1 | Low | 55.3 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | trans | -78.9 | 111.9 | 174.2 | -167 | -107.3 | 0 | 0 | 0 | 108.6 | F395 E540 F573 | F395-Y538 AromaticContact CD1-CD2 3.66Å; F395-Y538 HydrophobicContact CD1-CD2 3.66Å; F395-Y538 HydrophobicContact CD1-CE2 4.34Å; F395-Y538 AromaticContact CE1-CD2 3.33Å; F395-Y538 HydrophobicContact CE1-CD2 3.33Å; F395-Y538 HydrophobicContact CE1-CE2 4.23Å; F395-Y538 AromaticContact CE1-CG 3.89Å; F395-Y538 HydrophobicContact CE1-CG 3.89Å; F395-Y538 HydrophobicContact CG-CD2 4.48Å; F395-Y538 AromaticContact CZ-CD2 3.92Å; F395-Y538 HydrophobicContact CZ-CD2 3.92Å; F395-Y538 HydrophobicContact CZ-CG 4.35Å; Y538-E540 HydrophobicContact CD1-CG 3.82Å; Y538-E540 HydrophobicContact CE1-CG 4.23Å; Y538-E540 PolarHBondContact O-N 3.05Å; Y538-F573 HydrophobicContact CD1-CB 4Å; Y538-F573 AromaticContact CD1-CD1 3.89Å; Y538-F573 HydrophobicContact CD1-CD1 3.89Å; Y538-F573 AromaticContact CD1-CD2 3.84Å; Y538-F573 HydrophobicContact CD1-CD2 3.84Å; Y538-F573 HydrophobicContact CD1-CE1 4.32Å; Y538-F573 HydrophobicContact CD1-CE2 4.28Å; Y538-F573 AromaticContact CD1-CG 3.62Å; Y538-F573 HydrophobicContact CD1-CG 3.62Å; Y538-F573 HydrophobicContact CD1-CZ 4.5Å; Y538-F573 HydrophobicContact CD2-CD1 4.26Å; Y538-F573 HydrophobicContact CD2-CE1 4.14Å; Y538-F573 HydrophobicContact CE1-CB 4.43Å; Y538-F573 HydrophobicContact CE1-CD1 4.02Å; Y538-F573 AromaticContact CE1-CD2 3.39Å; Y538-F573 HydrophobicContact CE1-CD2 3.39Å; Y538-F573 HydrophobicContact CE1-CE1 4.09Å; Y538-F573 AromaticContact CE1-CE2 3.48Å; Y538-F573 HydrophobicContact CE1-CE2 3.48Å; Y538-F573 VanDerWaalsContact CE1-CE2 3.48Å; Y538-F573 AromaticContact CE1-CG 3.67Å; Y538-F573 HydrophobicContact CE1-CG 3.67Å; Y538-F573 AromaticContact CE1-CZ 3.83Å; Y538-F573 HydrophobicContact CE1-CZ 3.83Å; Y538-F573 HydrophobicContact CE2-CD1 4.37Å; Y538-F573 AromaticContact CE2-CE1 3.89Å; Y538-F573 HydrophobicContact CE2-CE1 3.89Å; Y538-F573 HydrophobicContact CE2-CE2 4.38Å; Y538-F573 AromaticContact CE2-CZ 3.89Å; Y538-F573 HydrophobicContact CE2-CZ 3.89Å; Y538-F573 HydrophobicContact CG-CD1 4.01Å; Y538-F573 HydrophobicContact CG-CE1 4.34Å; Y538-F573 HydrophobicContact CG-CG 4.2Å; Y538-F573 AromaticContact CZ-CD2 3.94Å; Y538-F573 AromaticContact CZ-CE1 3.86Å; Y538-F573 AromaticContact CZ-CE2 3.52Å; Y538-F573 AromaticContact CZ-CZ 3.46Å; Y538-F573 VanDerWaalsContact CZ-CZ 3.46Å; Y538-F573 WeakPolarHBondContact OH-CE2 3.34Å; Y538-F573 WeakPolarHBondContact OH-CZ 3.45Å | ||
| 539 | D | 53.4 | Low | 53.2 | Low | 118 Ų | 118 | 88.9 Ų | 88.9 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | trans | -73.5 | 95.2 | 172.3 | -172.9 | 5.2 | 0 | 0 | 0 | 109.5 | E537 G541 | E537-D539 PolarHBondContact O-N 3.33Å; D539-G541 PolarHBondContact O-N 3.23Å; D539-G541 PolarHBondContact OD1-N 3.29Å | ||
| 540 | E | 45.7 | Very low | 51.1 | Low | 80 Ų | 80 | 85.7 Ų | 85.7 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | trans | -68.7 | 71.6 | 165 | -66.6 | -169.5 | 174.2 | 0 | 0 | 108.6 | Y538 N542 | Y538-E540 HydrophobicContact CD1-CG 3.82Å; Y538-E540 HydrophobicContact CE1-CG 4.23Å; Y538-E540 PolarHBondContact O-N 3.05Å; E540-N542 PolarHBondContact O-N 3.2Å | ||
| 541 | G | 33.6 | Very low | 49.1 | Very low | 48 Ų | 48 | 92.3 Ų | 92.3 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | trans | -31.8 | 93.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D539 E543 | D539-G541 PolarHBondContact O-N 3.23Å; D539-G541 PolarHBondContact OD1-N 3.29Å; G541-E543 PolarHBondContact O-N 3.39Å; G541-E543 VanDerWaalsContact O-N 3.16Å | ||
| 542 | N | 27.1 | Very low | 47.2 | Very low | 130 Ų | 130 | 99 Ų | 99 | 70% | 0.695 | 59% | 0.592 | S | S | * | * | trans | -81 | 90.7 | 171 | -90.9 | -25.4 | 0 | 0 | 0 | 105.9 | E540 S544 | E540-N542 PolarHBondContact O-N 3.2Å; N542-S544 VanDerWaalsContact C-N 3.3Å; N542-S544 PolarHBondContact O-N 2.97Å | ||
| 543 | E | 32.6 | Very low | 45.3 | Very low | 186 Ų | 186 | 100.7 Ų | 100.7 | 87% | 0.869 | 60% | 0.603 | S | S | * | * | trans | -63.7 | 100.6 | 159.8 | -69.3 | -174.3 | -179.9 | 0 | 0 | 106.8 | G541 E545 | G541-E543 PolarHBondContact O-N 3.39Å; G541-E543 VanDerWaalsContact O-N 3.16Å; E543-E545 PolarHBondContact O-N 3.27Å | ||
| 544 | S | 34.4 | Very low | 43.4 | Very low | 97 Ų | 97 | 104.8 Ų | 104.8 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | trans | -55.9 | 122.2 | 171.3 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | N542 D546 | N542-S544 VanDerWaalsContact C-N 3.3Å; N542-S544 PolarHBondContact O-N 2.97Å; S544-D546 VanDerWaalsContact C-N 3.27Å; S544-D546 PolarHBondContact O-N 2.97Å | ||
| 545 | E | 30.2 | Very low | 41.8 | Very low | 182 Ų | 182 | 113.3 Ų | 113.3 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -63.3 | 79.2 | 175 | -65.3 | 175.7 | -179.5 | 0 | 0 | 111.1 | E543 S547 | E543-E545 PolarHBondContact O-N 3.27Å; E545-S547 VanDerWaalsContact C-N 3.29Å; E545-S547 PolarHBondContact O-N 2.85Å; E545-S547 VanDerWaalsContact O-N 3.13Å | ||
| 546 | D | 34 | Very low | 39.8 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | -83.7 | 81.1 | 165.1 | -86 | -17.7 | 0 | 0 | 0 | 109.2 | S544 S548 | S544-D546 VanDerWaalsContact C-N 3.27Å; S544-D546 PolarHBondContact O-N 2.97Å; D546-S548 PolarHBondContact O-N 2.83Å | ||
| 547 | S | 30.9 | Very low | 38.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -61.4 | 99.6 | 167.6 | 36 | 0 | 0 | 0 | 0 | 111.4 | E545 | E545-S547 VanDerWaalsContact C-N 3.29Å; E545-S547 PolarHBondContact O-N 2.85Å; E545-S547 VanDerWaalsContact O-N 3.13Å | ||
| 548 | S | 37.9 | Very low | 36.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -109.1 | 99.2 | 163.1 | 162.7 | 0 | 0 | 0 | 0 | 109.3 | D546 G550 | D546-S548 PolarHBondContact O-N 2.83Å; S548-G550 PolarHBondContact O-N 3.3Å | ||
| 549 | S | 32.8 | Very low | 36 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -53.2 | 122.1 | 172.4 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 550 | G | 36.6 | Very low | 35.2 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -157.2 | 97.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S548 V552 | S548-G550 PolarHBondContact O-N 3.3Å; G550-V552 PolarHBondContact O-N 3.13Å | ||
| 551 | D | 33.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -42.6 | 116.4 | 174.1 | -80.3 | -39.3 | 0 | 0 | 0 | 113.1 | ||||
| 552 | V | 38.5 | Very low | 34.8 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -149.3 | 128.8 | 140.6 | -173 | 0 | 0 | 0 | 0 | 109.2 | G550 | G550-V552 PolarHBondContact O-N 3.13Š| ||
| 553 | S | 34.1 | Very low | 35.2 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | -63.5 | 163.2 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 554 | D | 33.3 | Very low | 35.3 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 83.5 | 85.1 | 157.2 | -47.2 | -41.1 | 0 | 0 | 0 | 116.8 | ||||
| 555 | K | 39.6 | Very low | 35.4 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | -179.8 | 111.2 | 121.7 | -93.8 | 155.7 | -171 | 176.5 | 0 | 111.6 | |||||
| 556 | E | 31.7 | Very low | 35.4 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -68.3 | 157.2 | 163.8 | -67 | 172.9 | 150.9 | 0 | 0 | 110.7 | ||||
| 557 | E | 35.7 | Very low | 35.4 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 81.6 | 77.2 | 168.3 | -52.9 | -178 | 170.2 | 0 | 0 | 117.3 | ||
| 558 | T | 38.4 | Very low | 35.6 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 69% | 0.694 | S | S | * | * | trans | -167.6 | -6.6 | 149.5 | 17.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 559 | T | 41.9 | Very low | 35.4 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -16.2 | -167.3 | 30 | 0 | 0 | 0 | 0 | 116.9 | ||
| 560 | E | 37.5 | Very low | 35.5 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.3 | -28.3 | -174.5 | -66.6 | -174.7 | 176.3 | 0 | 0 | 114.3 | Q564 | E560-Q564 WeakPolarHBondContact O-CG 3.27Å; E560-Q564 PolarHBondContact O-N 2.76Å |
| 561 | E | 36.1 | Very low | 35.5 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 71% | 0.71 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.8 | -29.9 | -179.3 | -68.3 | -169.3 | 170.8 | 0 | 0 | 112.6 | L565 | E561-L565 WeakPolarHBondContact O-CD1 3.01Å; E561-L565 WeakPolarHBondContact O-CG 3.5Å; E561-L565 PolarHBondContact O-N 2.87Å |
| 562 | E | 35.1 | Very low | 35.8 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.6 | -36.6 | -178.8 | -66.8 | -173.8 | 161.5 | 0 | 0 | 112 | L565 S566 | E562-L565 PolarHBondContact O-N 3.17Å; E562-S566 PolarHBondContact O-N 2.94Å |
| 563 | E | 35 | Very low | 36.1 | Very low | 138 Ų | 138 | 113.9 Ų | 113.9 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.6 | -35.3 | 174.9 | -73 | -175.3 | 167.7 | 0 | 0 | 112.8 | L565 S566 S567 | E563-L565 VanDerWaalsContact C-N 3.33Å; E563-S566 PolarHBondContact O-OG 2.98Å; E563-S567 WeakPolarHBondContact O-CB 3.14Å; E563-S567 PolarHBondContact O-N 3.33Å; E563-S567 PolarHBondContact O-OG 3.19Å |
| 564 | Q | 35.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 112.4 Ų | 112.4 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.5 | -31 | 174.4 | -71.8 | -176.3 | 10.7 | 0 | 0 | 112.5 | E560 S567 S568 | E560-Q564 WeakPolarHBondContact O-CG 3.27Å; E560-Q564 PolarHBondContact O-N 2.76Å; Q564-S567 WeakPolarHBondContact CA-OG 3.28Å; Q564-S567 PolarHBondContact O-OG 2.79Å; Q564-S567 VanDerWaalsContact O-OG 3.05Å; Q564-S568 WeakPolarHBondContact O-CB 3.25Å; Q564-S568 PolarHBondContact O-N 3.31Å |
| 565 | L | 35.9 | Very low | 37.2 | Very low | 75 Ų | 75 | 106.5 Ų | 106.5 | 39% | 0.393 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -75.8 | -38.7 | 177.3 | -79.3 | 160.3 | 0 | 0 | 0 | 112.3 | E561 E562 E563 S568 L569 | E561-L565 WeakPolarHBondContact O-CD1 3.01Å; E561-L565 WeakPolarHBondContact O-CG 3.5Å; E561-L565 PolarHBondContact O-N 2.87Å; E562-L565 PolarHBondContact O-N 3.17Å; E563-L565 VanDerWaalsContact C-N 3.33Å; L565-S568 PolarHBondContact O-N 2.77Å; L565-L569 WeakPolarHBondContact O-CG 3.19Å; L565-L569 PolarHBondContact O-N 2.82Å |
| 566 | S | 31 | Very low | 37.5 | Very low | 48 Ų | 48 | 99.9 Ų | 99.9 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 178.3 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | E562 E563 S568 L569 K570 | E562-S566 PolarHBondContact O-N 2.94Å; E563-S566 PolarHBondContact O-OG 2.98Å; S566-S568 VanDerWaalsContact C-N 3.33Å; S566-S568 PolarHBondContact O-N 3.36Å; S566-L569 PolarHBondContact O-N 3.05Å; S566-K570 WeakPolarHBondContact O-CG 2.97Å; S566-K570 PolarHBondContact O-N 3.47Å |
| 567 | S | 32.5 | Very low | 38.1 | Very low | 62 Ų | 62 | 92.3 Ų | 92.3 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -30.5 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | E563 Q564 | E563-S567 WeakPolarHBondContact O-CB 3.14Å; E563-S567 PolarHBondContact O-N 3.33Å; E563-S567 PolarHBondContact O-OG 3.19Å; Q564-S567 WeakPolarHBondContact CA-OG 3.28Å; Q564-S567 PolarHBondContact O-OG 2.79Å; Q564-S567 VanDerWaalsContact O-OG 3.05Å |
| 568 | S | 36.1 | Very low | 38.3 | Very low | 80 Ų | 80 | 84.6 Ų | 84.6 | 56% | 0.559 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.7 | -32.3 | 173.7 | -166.9 | 0 | 0 | 0 | 0 | 112.7 | Q564 L565 S566 | Q564-S568 WeakPolarHBondContact O-CB 3.25Å; Q564-S568 PolarHBondContact O-N 3.31Å; L565-S568 PolarHBondContact O-N 2.77Å; S566-S568 VanDerWaalsContact C-N 3.33Å; S566-S568 PolarHBondContact O-N 3.36Å |
| 569 | L | 33.1 | Very low | 38.3 | Very low | 66 Ų | 66 | 80.8 Ų | 80.8 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.7 | -40.5 | 175.9 | -73.8 | 163.4 | 0 | 0 | 0 | 112.5 | L565 S566 N571 S572 | L565-L569 WeakPolarHBondContact O-CG 3.19Å; L565-L569 PolarHBondContact O-N 2.82Å; S566-L569 PolarHBondContact O-N 3.05Å; L569-N571 PolarHBondContact O-N 3.15Å; L569-N571 VanDerWaalsContact O-N 3.08Å; L569-S572 PolarHBondContact O-N 3.07Å |
| 570 | K | 35.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 77.4 Ų | 77.4 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.3 | -179.2 | -75.3 | 175.3 | 178.4 | -179 | 0 | 114.9 | S566 | S566-K570 WeakPolarHBondContact O-CG 2.97Å; S566-K570 PolarHBondContact O-N 3.47Å |
| 571 | N | 35.5 | Very low | 38.2 | Very low | 152 Ų | 152 | 72.8 Ų | 72.8 | 81% | 0.813 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 4.8 | -173.2 | -85.1 | -31.7 | 0 | 0 | 0 | 114.9 | L569 | L569-N571 PolarHBondContact O-N 3.15Å; L569-N571 VanDerWaalsContact O-N 3.08Å |
| 572 | S | 39.4 | Very low | 38 | Very low | 29 Ų | 29 | 72.9 Ų | 72.9 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -119.2 | -14.9 | -162.7 | -175.1 | 0 | 0 | 0 | 0 | 118 | L569 S574 | L569-S572 PolarHBondContact O-N 3.07Å; S572-S574 PolarHBondContact O-N 3.15Å |
| 573 | F | 45.1 | Very low | 37.8 | Very low | 18 Ų | 18 | 74.1 Ų | 74.1 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | trans | -94.8 | 14.6 | -168.1 | -91.7 | -84.5 | 0 | 0 | 0 | 116.9 | V394 F395 N450 Y538 Y575 | V394-F573 HydrophobicContact CG1-CE1 4.34Å; V394-F573 HydrophobicContact CG1-CZ 3.93Å; F395-F573 HydrophobicContact CE2-CD1 4.14Å; F395-F573 AromaticContact CE2-CE1 3.64Å; F395-F573 HydrophobicContact CE2-CE1 3.64Å; F395-F573 AromaticContact CZ-CD1 3.71Å; F395-F573 HydrophobicContact CZ-CD1 3.71Å; F395-F573 AromaticContact CZ-CE1 3.63Å; F395-F573 HydrophobicContact CZ-CE1 3.63Å; N450-F573 HydrophobicContact CB-CZ 4.21Å; Y538-F573 HydrophobicContact CD1-CB 4Å; Y538-F573 AromaticContact CD1-CD1 3.89Å; Y538-F573 HydrophobicContact CD1-CD1 3.89Å; Y538-F573 AromaticContact CD1-CD2 3.84Å; Y538-F573 HydrophobicContact CD1-CD2 3.84Å; Y538-F573 HydrophobicContact CD1-CE1 4.32Å; Y538-F573 HydrophobicContact CD1-CE2 4.28Å; Y538-F573 AromaticContact CD1-CG 3.62Å; Y538-F573 HydrophobicContact CD1-CG 3.62Å; Y538-F573 HydrophobicContact CD1-CZ 4.5Å; Y538-F573 HydrophobicContact CD2-CD1 4.26Å; Y538-F573 HydrophobicContact CD2-CE1 4.14Å; Y538-F573 HydrophobicContact CE1-CB 4.43Å; Y538-F573 HydrophobicContact CE1-CD1 4.02Å; Y538-F573 AromaticContact CE1-CD2 3.39Å; Y538-F573 HydrophobicContact CE1-CD2 3.39Å; Y538-F573 HydrophobicContact CE1-CE1 4.09Å; Y538-F573 AromaticContact CE1-CE2 3.48Å; Y538-F573 HydrophobicContact CE1-CE2 3.48Å; Y538-F573 VanDerWaalsContact CE1-CE2 3.48Å; Y538-F573 AromaticContact CE1-CG 3.67Å; Y538-F573 HydrophobicContact CE1-CG 3.67Å; Y538-F573 AromaticContact CE1-CZ 3.83Å; Y538-F573 HydrophobicContact CE1-CZ 3.83Å; Y538-F573 HydrophobicContact CE2-CD1 4.37Å; Y538-F573 AromaticContact CE2-CE1 3.89Å; Y538-F573 HydrophobicContact CE2-CE1 3.89Å; Y538-F573 HydrophobicContact CE2-CE2 4.38Å; Y538-F573 AromaticContact CE2-CZ 3.89Å; Y538-F573 HydrophobicContact CE2-CZ 3.89Å; Y538-F573 HydrophobicContact CG-CD1 4.01Å; Y538-F573 HydrophobicContact CG-CE1 4.34Å; Y538-F573 HydrophobicContact CG-CG 4.2Å; Y538-F573 AromaticContact CZ-CD2 3.94Å; Y538-F573 AromaticContact CZ-CE1 3.86Å; Y538-F573 AromaticContact CZ-CE2 3.52Å; Y538-F573 AromaticContact CZ-CZ 3.46Å; Y538-F573 VanDerWaalsContact CZ-CZ 3.46Å; Y538-F573 WeakPolarHBondContact OH-CE2 3.34Å; Y538-F573 WeakPolarHBondContact OH-CZ 3.45Å; F573-Y575 HydrophobicContact CD1-CD2 4.47Å; F573-Y575 AromaticContact CD1-CE2 3.83Å; F573-Y575 HydrophobicContact CD1-CE2 3.83Å; F573-Y575 HydrophobicContact CE1-CE2 4.05Å; F573-Y575 PolarHBondContact O-N 3.32Å | ||
| 574 | S | 42.8 | Very low | 37.4 | Very low | 56 Ų | 56 | 77 Ų | 77 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | trans | -86.7 | 91.4 | 168.8 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | R446 S572 H576 N577 | R446-S574 PolarHBondContact NH1-O 3.12Å; S572-S574 PolarHBondContact O-N 3.15Å; S574-H576 PolarHBondContact O-N 3.06Å; S574-N577 WeakPolarHBondContact CB-ND2 3.43Å; S574-N577 PolarHBondContact O-ND2 2.84Å; S574-N577 PolarHBondContact OG-ND2 3.46Å | ||
| 575 | Y | 48.2 | Very low | 36.9 | Very low | 15 Ų | 15 | 74.9 Ų | 74.9 | 6% | 0.059 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -77 | -4.4 | 175.3 | -78.5 | -85.2 | 0 | 0 | 0 | 114.2 | Y391 F395 V447 F500 D503 F573 N577 | Y391-Y575 HydrophobicContact CE2-CD2 4.4Å; Y391-Y575 HydrophobicContact CE2-CE1 4.39Å; Y391-Y575 AromaticContact CE2-CE2 3.9Å; Y391-Y575 HydrophobicContact CE2-CE2 3.9Å; Y391-Y575 AromaticContact CE2-CZ 3.89Å; F395-Y575 HydrophobicContact CE2-CE2 4.21Å; F395-Y575 HydrophobicContact CZ-CE2 4.47Å; V447-Y575 HydrophobicContact CG2-CE1 4.04Å; F500-Y575 AromaticContact CD2-CD1 3.72Å; F500-Y575 HydrophobicContact CD2-CD1 3.72Å; F500-Y575 AromaticContact CD2-CE1 3.82Å; F500-Y575 HydrophobicContact CD2-CE1 3.82Å; F500-Y575 HydrophobicContact CD2-CG 4.39Å; F500-Y575 HydrophobicContact CE2-CD1 4.19Å; F500-Y575 AromaticContact CE2-CE1 3.85Å; F500-Y575 HydrophobicContact CE2-CE1 3.85Å; D503-Y575 VanDerWaalsContact OD2-CB 3.32Å; D503-Y575 WeakPolarHBondContact OD2-CB 3.07Å; D503-Y575 WeakPolarHBondContact OD2-CD2 3.46Å; D503-Y575 VanDerWaalsContact OD2-CG 3.24Å; F573-Y575 HydrophobicContact CD1-CD2 4.47Å; F573-Y575 AromaticContact CD1-CE2 3.83Å; F573-Y575 HydrophobicContact CD1-CE2 3.83Å; F573-Y575 HydrophobicContact CE1-CE2 4.05Å; F573-Y575 PolarHBondContact O-N 3.32Å; Y575-N577 PolarHBondContact O-N 3.46Å |
| 576 | H | 45 | Very low | 36.5 | Very low | 69 Ų | 69 | 77.1 Ų | 77.1 | 32% | 0.319 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -56.5 | -10.8 | 170.3 | -67.7 | -65.9 | 0 | 0 | 0 | 114 | A504 S574 | A504-H576 WeakPolarHBondContact CB-NE2 3.19Å; A504-H576 PolarHBondContact O-CE1 3.47Å; A504-H576 PolarHBondContact O-NE2 3.49Å; S574-H576 PolarHBondContact O-N 3.06Å |
| 577 | N | 44.7 | Very low | 36.5 | Very low | 23 Ų | 23 | 86.3 Ų | 86.3 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -102.3 | 23 | -169.3 | -58.5 | -47.8 | 0 | 0 | 0 | 114.4 | S574 Y575 | S574-N577 WeakPolarHBondContact CB-ND2 3.43Å; S574-N577 PolarHBondContact O-ND2 2.84Å; S574-N577 PolarHBondContact OG-ND2 3.46Å; Y575-N577 PolarHBondContact O-N 3.46Å |
| 578 | S | 40.1 | Very low | 36.3 | Very low | 17 Ų | 17 | 96.6 Ų | 96.6 | 12% | 0.119 | 49% | 0.487 | C | S | . | . | trans | -72.1 | 133.8 | -176.4 | -159.6 | 0 | 0 | 0 | 0 | 111.8 | G498 G580 | G498-S578 VanDerWaalsContact C-OG 3.29Å; G498-S578 WeakPolarHBondContact O-CB 3.05Å; G498-S578 PolarHBondContact O-OG 3.03Å; S578-G580 PolarHBondContact O-N 2.66Å | ||
| 579 | P | 38.5 | Very low | 36.3 | Very low | 46 Ų | 46 | 97.5 Ų | 97.5 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -65.4 | 7 | -176 | -19.6 | 31.5 | 0 | 0 | 0 | 116.5 | F581 M582 | P579-F581 PolarHBondContact O-N 3.44Å; P579-M582 PolarHBondContact O-N 3.29Å |
| 580 | G | 41.2 | Very low | 36.5 | Very low | 29 Ų | 29 | 99.1 Ų | 99.1 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -58.2 | -4.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | E497 S578 | E497-G580 WeakPolarHBondContact OE2-CA 3.34Å; S578-G580 PolarHBondContact O-N 2.66Å |
| 581 | F | 36.6 | Very low | 36.6 | Very low | 53 Ų | 53 | 98 Ų | 98 | 23% | 0.232 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -89.6 | 6.4 | 171.8 | -61.9 | -70.3 | 0 | 0 | 0 | 114.7 | T188 R192 G277 P579 Q583 | T188-F581 VanDerWaalsContact O-CE1 3.3Å; T188-F581 WeakPolarHBondContact O-CE1 3.44Å; R192-F581 HydrophobicContact CB-CD1 4.05Å; R192-F581 HydrophobicContact CB-CE1 4.44Å; R192-F581 HydrophobicContact CB-CG 4.25Å; R192-F581 HydrophobicContact CG-CB 4.48Å; G277-F581 WeakPolarHBondContact O-CZ 3.26Å; P579-F581 PolarHBondContact O-N 3.44Å; F581-Q583 VanDerWaalsContact C-N 3.25Å; F581-Q583 PolarHBondContact O-N 2.98Å |
| 582 | M | 31.9 | Very low | 36.6 | Very low | 155 Ų | 155 | 94.8 Ų | 94.8 | 76% | 0.764 | 47% | 0.47 | S | S | * | . | trans | -71.9 | 78.2 | 170.8 | -72.8 | -164.8 | 77.3 | 0 | 0 | 111.4 | P579 R584 | P579-M582 PolarHBondContact O-N 3.29Å; M582-R584 PolarHBondContact O-N 3.14Å; M582-R584 VanDerWaalsContact O-N 3.08Å | ||
| 583 | Q | 30.2 | Very low | 36.5 | Very low | 167 Ų | 167 | 98.9 Ų | 98.9 | 78% | 0.78 | 49% | 0.487 | S | S | * | . | trans | -60.2 | 112.7 | 155.8 | -96.2 | -175.7 | -14.2 | 0 | 0 | 108 | F581 S585 | F581-Q583 VanDerWaalsContact C-N 3.25Å; F581-Q583 PolarHBondContact O-N 2.98Å; Q583-S585 PolarHBondContact O-N 2.79Å; Q583-S585 VanDerWaalsContact O-N 3.09Å | ||
| 584 | R | 27.3 | Very low | 35.9 | Very low | 200 Ų | 200 | 104.3 Ų | 104.3 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -53 | 116.8 | 168.6 | -69.3 | 179.5 | 175 | -172.8 | -1.2 | 107.6 | M582 | M582-R584 PolarHBondContact O-N 3.14Å; M582-R584 VanDerWaalsContact O-N 3.08Å |
| 585 | S | 24.3 | Very low | 35.4 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 139.3 | 163.4 | 60.5 | 0 | 0 | 0 | 0 | 108 | Q583 R587 | Q583-S585 PolarHBondContact O-N 2.79Å; Q583-S585 VanDerWaalsContact O-N 3.09Å; S585-R587 PolarHBondContact O-N 2.98Å |
| 586 | P | 27.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.3 | 167.3 | 24.2 | -29.5 | 0 | 0 | 0 | 106.9 | K588 | P586-K588 PolarHBondContact O-N 2.72Š|
| 587 | R | 32.5 | Very low | 33.5 | Very low | 240 Ų | 240 | 118.8 Ų | 118.8 | 91% | 0.906 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 120.6 | 168.6 | -75.1 | -177.4 | 176.4 | -179.3 | -0.9 | 107 | S585 | S585-R587 PolarHBondContact O-N 2.98Š|
| 588 | K | 28.1 | Very low | 32.5 | Very low | 279 Ų | 279 | 127.5 Ų | 127.5 | 100% | 1.213 | 62% | 0.62 | S | S | * | * | trans | -61.9 | 0 | 154.7 | -81.9 | -174.4 | 175.7 | -179.8 | 0 | 109.6 | P586 | P586-K588 PolarHBondContact O-N 2.72Š|
Retrieved 588 of 588 residues in 365.7 ms
(Link to these results)