| 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 | 41 | Very low | 42 | Very low | 217 Ų | 217 | 97.1 Ų | 97.1 | 100% | 1.069 | 49% | 0.486 | S | S | * | . | 0 | 37.8 | 0 | -65.7 | 178.8 | 165.5 | 0 | 0 | 112.6 | P4 | M1-P4 WeakPolarHBondContact O-CD 3.46Š| |||
| 2 | T | 43.4 | Very low | 42.1 | Very low | 85 Ų | 85 | 91.3 Ų | 91.3 | 52% | 0.521 | 46% | 0.462 | S | S | . | . | trans | -90.5 | -14.9 | -176 | 38.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | Q | 42.6 | Very low | 42 | Very low | 164 Ų | 164 | 97.6 Ų | 97.6 | 77% | 0.766 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61 | -40.3 | -178.2 | -76.5 | 177.9 | -33.9 | 0 | 0 | 116.2 | L5 I6 C7 | Q3-L5 VanDerWaalsContact C-N 3.3Å; Q3-L5 PolarHBondContact O-N 2.98Å; Q3-I6 PolarHBondContact O-N 2.73Å; Q3-C7 VanDerWaalsContact O-CB 3.28Å; Q3-C7 WeakPolarHBondContact O-CB 3.08Å; Q3-C7 PolarHBondContact O-N 2.91Å |
| 4 | P | 40.3 | Very low | 41.6 | Very low | 55 Ų | 55 | 99 Ų | 99 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -31.9 | -176.6 | 24.5 | -32.6 | 0 | 0 | 0 | 112.5 | M1 A8 | M1-P4 WeakPolarHBondContact O-CD 3.46Å; P4-A8 VanDerWaalsContact O-CB 3.29Å; P4-A8 WeakPolarHBondContact O-CB 3.4Å; P4-A8 PolarHBondContact O-N 3.48Å |
| 5 | L | 42.3 | Very low | 41.2 | Very low | 23 Ų | 23 | 99.2 Ų | 99.2 | 12% | 0.12 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -71 | -44.5 | 178.8 | -81 | 158.9 | 0 | 0 | 0 | 112.5 | Q3 C7 A8 Y9 Y31 M37 | Q3-L5 VanDerWaalsContact C-N 3.3Å; Q3-L5 PolarHBondContact O-N 2.98Å; L5-C7 VanDerWaalsContact C-N 3.29Å; L5-C7 PolarHBondContact O-N 3.37Å; L5-A8 PolarHBondContact O-N 3.4Å; L5-Y9 VanDerWaalsContact O-CB 3.27Å; L5-Y9 WeakPolarHBondContact O-CB 3.49Å; L5-Y9 PolarHBondContact O-N 3.29Å; L5-Y31 HydrophobicContact CD1-CD1 3.9Å; L5-Y31 HydrophobicContact CD1-CE1 3.97Å; L5-Y31 HydrophobicContact CD2-CD1 3.62Å; L5-Y31 HydrophobicContact CD2-CE1 3.9Å; L5-Y31 HydrophobicContact CD2-CG 3.96Å; L5-Y31 HydrophobicContact CG-CD1 3.86Å; L5-Y31 HydrophobicContact CG-CE1 3.73Å; L5-M37 HydrophobicContact CD1-CB 4.16Å; L5-M37 HydrophobicContact CD1-SD 4.49Å |
| 6 | I | 46.3 | Very low | 40.7 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.5 | -61.9 | 171.5 | 0 | 0 | 0 | 109.9 | Q3 Y9 R10 | Q3-I6 PolarHBondContact O-N 2.73Å; I6-Y9 PolarHBondContact O-N 2.76Å; I6-R10 WeakPolarHBondContact O-CB 3.44Å; I6-R10 WeakPolarHBondContact O-CG 3.04Å; I6-R10 PolarHBondContact O-N 2.71Å |
| 7 | C | 39.6 | Very low | 40.9 | Very low | 64 Ų | 64 | 104.6 Ų | 104.6 | 43% | 0.432 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 178.1 | -162.1 | 0 | 0 | 0 | 0 | 111.7 | Q3 L5 Y9 R10 M11 | Q3-C7 VanDerWaalsContact O-CB 3.28Å; Q3-C7 WeakPolarHBondContact O-CB 3.08Å; Q3-C7 PolarHBondContact O-N 2.91Å; L5-C7 VanDerWaalsContact C-N 3.29Å; L5-C7 PolarHBondContact O-N 3.37Å; C7-Y9 VanDerWaalsContact C-N 3.34Å; C7-Y9 PolarHBondContact O-N 3.29Å; C7-R10 PolarHBondContact O-N 3.17Å; C7-M11 WeakPolarHBondContact O-CG 3.43Å; C7-M11 PolarHBondContact O-N 3.35Å |
| 8 | A | 43.8 | Very low | 40.7 | Very low | 21 Ų | 21 | 109.1 Ų | 109.1 | 17% | 0.174 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P4 L5 M11 C12 Y27 | P4-A8 VanDerWaalsContact O-CB 3.29Å; P4-A8 WeakPolarHBondContact O-CB 3.4Å; P4-A8 PolarHBondContact O-N 3.48Å; L5-A8 PolarHBondContact O-N 3.4Å; A8-M11 PolarHBondContact O-N 2.9Å; A8-C12 PolarHBondContact O-N 3.4Å; A8-C12 PolarHBondContact O-SG 3.48Å; A8-Y27 HydrophobicContact CB-CD1 4.08Å; A8-Y27 HydrophobicContact CB-CE1 4.12Å |
| 9 | Y | 43.5 | Very low | 40.4 | Very low | 60 Ų | 60 | 111.8 Ų | 111.8 | 24% | 0.235 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.9 | -175.5 | -101.4 | 0 | 0 | 0 | 112.3 | L5 I6 C7 C12 F13 F41 M45 D48 | L5-Y9 VanDerWaalsContact O-CB 3.27Å; L5-Y9 WeakPolarHBondContact O-CB 3.49Å; L5-Y9 PolarHBondContact O-N 3.29Å; I6-Y9 PolarHBondContact O-N 2.76Å; C7-Y9 VanDerWaalsContact C-N 3.34Å; C7-Y9 PolarHBondContact O-N 3.29Å; Y9-C12 PolarHBondContact O-N 3.38Å; Y9-F13 PolarHBondContact O-N 3.24Å; Y9-F41 HydrophobicContact CD2-CE2 4.36Å; Y9-F41 AromaticContact CD2-CZ 3.92Å; Y9-F41 HydrophobicContact CD2-CZ 3.92Å; Y9-F41 HydrophobicContact CE2-CZ 4.13Å; Y9-F41 HydrophobicContact CG-CE2 4.45Å; Y9-F41 HydrophobicContact CG-CZ 4.4Å; Y9-M45 HydrophobicContact CE1-SD 4.33Å; Y9-D48 WeakPolarHBondContact OH-CB 3.04Å; Y9-D48 VanDerWaalsContact OH-CG 3.25Å; Y9-D48 PolarHBondContact OH-OD2 3.37Å |
| 10 | R | 42.1 | Very low | 40.5 | Very low | 181 Ų | 181 | 106.8 Ų | 106.8 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 172.5 | -79.3 | -175.9 | 172.6 | -162.4 | -2.1 | 111.8 | I6 C7 C12 F13 V14 | I6-R10 WeakPolarHBondContact O-CB 3.44Å; I6-R10 WeakPolarHBondContact O-CG 3.04Å; I6-R10 PolarHBondContact O-N 2.71Å; C7-R10 PolarHBondContact O-N 3.17Å; R10-C12 VanDerWaalsContact C-N 3.32Å; R10-C12 PolarHBondContact O-N 2.95Å; R10-F13 PolarHBondContact O-N 2.77Å; R10-V14 WeakPolarHBondContact O-CB 3.49Å; R10-V14 VanDerWaalsContact O-CG2 3.25Å; R10-V14 WeakPolarHBondContact O-CG2 3.4Å; R10-V14 PolarHBondContact O-N 3.4Å |
| 11 | M | 37.5 | Very low | 40.6 | Very low | 113 Ų | 113 | 104.6 Ų | 104.6 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 173.9 | -71.7 | -170.8 | -172.4 | 0 | 0 | 111.7 | C7 A8 F13 V14 I15 | C7-M11 WeakPolarHBondContact O-CG 3.43Å; C7-M11 PolarHBondContact O-N 3.35Å; A8-M11 PolarHBondContact O-N 2.9Å; M11-F13 VanDerWaalsContact C-N 3.29Å; M11-F13 PolarHBondContact O-N 3.44Å; M11-V14 PolarHBondContact O-N 3.5Å; M11-I15 WeakPolarHBondContact O-CB 3.07Å; M11-I15 WeakPolarHBondContact O-CG1 3.37Å; M11-I15 PolarHBondContact O-N 2.76Å |
| 12 | C | 42.7 | Very low | 40.6 | Very low | 28 Ų | 28 | 101 Ų | 101 | 19% | 0.189 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.6 | -31.7 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | A8 Y9 R10 S20 C24 | A8-C12 PolarHBondContact O-N 3.4Å; A8-C12 PolarHBondContact O-SG 3.48Å; Y9-C12 PolarHBondContact O-N 3.38Å; R10-C12 VanDerWaalsContact C-N 3.32Å; R10-C12 PolarHBondContact O-N 2.95Å; C12-S20 PolarHBondContact O-OG 2.89Å; C12-C24 HydrophobicContact CB-CB 4.04Å; C12-C24 WeakPolarHBondContact CB-SG 3.24Å; C12-C24 WeakPolarHBondContact SG-CB 3.31Å; C12-C24 CovalentContact SG-SG 2.05Å; C12-C24 PolarHBondContact SG-SG 2.75Å |
| 13 | F | 40.8 | Very low | 40.6 | Very low | 173 Ų | 173 | 103.3 Ų | 103.3 | 76% | 0.759 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -81.1 | -36.2 | 178.3 | -163.2 | -92.8 | 0 | 0 | 0 | 113 | Y9 R10 M11 | Y9-F13 PolarHBondContact O-N 3.24Å; R10-F13 PolarHBondContact O-N 2.77Å; M11-F13 VanDerWaalsContact C-N 3.29Å; M11-F13 PolarHBondContact O-N 3.44Å |
| 14 | V | 36.6 | Very low | 40.8 | Very low | 117 Ų | 117 | 96.4 Ų | 96.4 | 71% | 0.709 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -78.1 | -33.3 | -179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | R10 M11 D16 | R10-V14 WeakPolarHBondContact O-CB 3.49Å; R10-V14 VanDerWaalsContact O-CG2 3.25Å; R10-V14 WeakPolarHBondContact O-CG2 3.4Å; R10-V14 PolarHBondContact O-N 3.4Å; M11-V14 PolarHBondContact O-N 3.5Å; V14-D16 PolarHBondContact O-N 3.33Å |
| 15 | I | 35.2 | Very low | 41.2 | Very low | 102 Ų | 102 | 94.8 Ų | 94.8 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -86.8 | 108 | 179.9 | -58.1 | 172.8 | 0 | 0 | 0 | 109 | M11 S20 | M11-I15 WeakPolarHBondContact O-CB 3.07Å; M11-I15 WeakPolarHBondContact O-CG1 3.37Å; M11-I15 PolarHBondContact O-N 2.76Å; I15-S20 WeakPolarHBondContact O-CB 3.08Å; I15-S20 PolarHBondContact O-OG 3.35Å |
| 16 | D | 32.9 | Very low | 41.4 | Very low | 124 Ų | 124 | 97.2 Ų | 97.2 | 66% | 0.663 | 47% | 0.472 | S | S | * | . | trans | -40.7 | 141.3 | -175.8 | -134.4 | -37.8 | 0 | 0 | 0 | 115.4 | V14 | V14-D16 PolarHBondContact O-N 3.33Š| ||
| 17 | K | 44.6 | Very low | 41.5 | Very low | 166 Ų | 166 | 98.7 Ų | 98.7 | 72% | 0.722 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 5.4 | 112.8 | 169.6 | -69.2 | 171.5 | -174.3 | 175.5 | 0 | 117.5 | H19 | K17-H19 PolarHBondContact O-N 3.01Š|
| 18 | Y | 37.7 | Very low | 42 | Very low | 186 Ų | 186 | 97 Ų | 97 | 73% | 0.729 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -46.5 | 160.8 | -53.6 | -76.1 | 0 | 0 | 0 | 118.4 | S20 | Y18-S20 PolarHBondContact O-N 2.84Š|
| 19 | H | 34.4 | Very low | 42.1 | Very low | 160 Ų | 160 | 99 Ų | 99 | 74% | 0.741 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.7 | -33.6 | -176.1 | -125.7 | 81.8 | 0 | 0 | 0 | 112.5 | K17 | K17-H19 PolarHBondContact O-N 3.01Å |
| 20 | S | 42.8 | Very low | 42.4 | Very low | 12 Ų | 12 | 100.1 Ų | 100.1 | 8% | 0.084 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -72.6 | -26.7 | 180 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | C12 I15 Y18 F22 M23 C24 | C12-S20 PolarHBondContact O-OG 2.89Å; I15-S20 WeakPolarHBondContact O-CB 3.08Å; I15-S20 PolarHBondContact O-OG 3.35Å; Y18-S20 PolarHBondContact O-N 2.84Å; S20-F22 PolarHBondContact O-N 3.34Å; S20-M23 PolarHBondContact O-N 2.83Å; S20-C24 WeakPolarHBondContact O-CB 3.26Å; S20-C24 PolarHBondContact O-N 2.78Å |
| 21 | I | 42.4 | Very low | 42.5 | Very low | 61 Ų | 61 | 93.1 Ų | 93.1 | 31% | 0.313 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.4 | -70 | 159.1 | 0 | 0 | 0 | 111.2 | C24 A25 L55 | I21-C24 WeakPolarHBondContact O-CB 3.36Å; I21-C24 PolarHBondContact O-N 3.41Å; I21-A25 WeakPolarHBondContact O-CB 3.44Å; I21-A25 PolarHBondContact O-N 3.01Å; I21-L55 HydrophobicContact CB-CD2 4.34Å; I21-L55 HydrophobicContact CD1-CD2 3.55Å; I21-L55 HydrophobicContact CG1-CD2 3.91Å; I21-L55 HydrophobicContact CG2-CD2 3.48Å; I21-L55 VanDerWaalsContact CG2-CD2 3.48Å; I21-L55 HydrophobicContact CG2-CG 4.48Å |
| 22 | F | 41.8 | Very low | 43 | Very low | 141 Ų | 141 | 89.6 Ų | 89.6 | 62% | 0.618 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.6 | -42.9 | 179.4 | -173.8 | -100.7 | 0 | 0 | 0 | 111.4 | S20 C24 A25 N26 | S20-F22 PolarHBondContact O-N 3.34Å; F22-C24 VanDerWaalsContact C-N 3.33Å; F22-C24 PolarHBondContact O-N 3.48Å; F22-A25 PolarHBondContact O-N 3.4Å; F22-N26 WeakPolarHBondContact CE1-ND2 3.34Å; F22-N26 PolarHBondContact O-N 3.45Å |
| 23 | M | 43.5 | Very low | 43.3 | Very low | 134 Ų | 134 | 96.3 Ų | 96.3 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 171.7 | -68.5 | -158.6 | -148.7 | 0 | 0 | 111 | S20 A25 N26 Y27 | S20-M23 PolarHBondContact O-N 2.83Å; M23-A25 VanDerWaalsContact C-N 3.34Å; M23-A25 PolarHBondContact O-N 2.8Å; M23-N26 PolarHBondContact O-N 2.64Å; M23-Y27 WeakPolarHBondContact O-CB 3.3Å; M23-Y27 PolarHBondContact O-N 2.79Å |
| 24 | C | 45.3 | Very low | 43.5 | Very low | 19 Ų | 19 | 96 Ų | 96 | 13% | 0.128 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 176 | -124.6 | 0 | 0 | 0 | 0 | 111.7 | C12 S20 I21 F22 Y27 L28 | C12-C24 HydrophobicContact CB-CB 4.04Å; C12-C24 WeakPolarHBondContact CB-SG 3.24Å; C12-C24 WeakPolarHBondContact SG-CB 3.31Å; C12-C24 CovalentContact SG-SG 2.05Å; C12-C24 PolarHBondContact SG-SG 2.75Å; S20-C24 WeakPolarHBondContact O-CB 3.26Å; S20-C24 PolarHBondContact O-N 2.78Å; I21-C24 WeakPolarHBondContact O-CB 3.36Å; I21-C24 PolarHBondContact O-N 3.41Å; F22-C24 VanDerWaalsContact C-N 3.33Å; F22-C24 PolarHBondContact O-N 3.48Å; C24-Y27 PolarHBondContact O-N 3.39Å; C24-L28 WeakPolarHBondContact O-CB 3.18Å; C24-L28 PolarHBondContact O-N 3Å |
| 25 | A | 48.3 | Very low | 43.9 | Very low | 20 Ų | 20 | 93.9 Ų | 93.9 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I21 F22 M23 N29 | I21-A25 WeakPolarHBondContact O-CB 3.44Å; I21-A25 PolarHBondContact O-N 3.01Å; F22-A25 PolarHBondContact O-N 3.4Å; M23-A25 VanDerWaalsContact C-N 3.34Å; M23-A25 PolarHBondContact O-N 2.8Å; A25-N29 VanDerWaalsContact O-CB 3.24Å; A25-N29 WeakPolarHBondContact O-CB 3.13Å; A25-N29 PolarHBondContact O-N 3.46Å |
| 26 | N | 47.8 | Very low | 44.3 | Very low | 75 Ų | 75 | 93.9 Ų | 93.9 | 40% | 0.401 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 173.8 | -81.9 | -10.5 | 0 | 0 | 0 | 111.8 | F22 M23 N29 V30 | F22-N26 WeakPolarHBondContact CE1-ND2 3.34Å; F22-N26 PolarHBondContact O-N 3.45Å; M23-N26 PolarHBondContact O-N 2.64Å; N26-N29 WeakPolarHBondContact O-CA 3.08Å; N26-N29 WeakPolarHBondContact O-CB 3.17Å; N26-N29 PolarHBondContact O-N 3.34Å; N26-N29 VanDerWaalsContact O-N 3.16Å; N26-V30 WeakPolarHBondContact O-CG2 3.4Å; N26-V30 PolarHBondContact O-N 2.96Å |
| 27 | Y | 47.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 90.1 Ų | 90.1 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.9 | -139.8 | -101.9 | 0 | 0 | 0 | 109.8 | A8 M23 C24 N29 V30 Y31 | A8-Y27 HydrophobicContact CB-CD1 4.08Å; A8-Y27 HydrophobicContact CB-CE1 4.12Å; M23-Y27 WeakPolarHBondContact O-CB 3.3Å; M23-Y27 PolarHBondContact O-N 2.79Å; C24-Y27 PolarHBondContact O-N 3.39Å; Y27-N29 PolarHBondContact O-N 3.35Å; Y27-V30 PolarHBondContact O-N 3.02Å; Y27-V30 VanDerWaalsContact O-N 3.11Å; Y27-Y31 AromaticContact CD1-CD2 3.73Å; Y27-Y31 HydrophobicContact CD1-CD2 3.73Å; Y27-Y31 AromaticContact CD1-CE2 3.37Å; Y27-Y31 HydrophobicContact CD1-CE2 3.37Å; Y27-Y31 AromaticContact CE1-CD2 3.98Å; Y27-Y31 HydrophobicContact CE1-CD2 3.98Å; Y27-Y31 AromaticContact CE1-CE2 3.12Å; Y27-Y31 HydrophobicContact CE1-CE2 3.12Å; Y27-Y31 AromaticContact CE1-CZ 3.7Å; Y27-Y31 HydrophobicContact CG-CD2 4.47Å; Y27-Y31 HydrophobicContact CG-CE2 4.29Å; Y27-Y31 AromaticContact CZ-CE2 3.85Å; Y27-Y31 WeakPolarHBondContact O-CD2 3.31Å; Y27-Y31 PolarHBondContact O-N 3.28Å |
| 28 | L | 50.3 | Low | 44.7 | Very low | 28 Ų | 28 | 83.2 Ų | 83.2 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.1 | -32.4 | 174.7 | -157.5 | 99.2 | 0 | 0 | 0 | 111.3 | C24 Y31 L32 F49 | C24-L28 WeakPolarHBondContact O-CB 3.18Å; C24-L28 PolarHBondContact O-N 3Å; L28-Y31 CarbonylContact O-C 3.09Å; L28-Y31 PolarHBondContact O-N 3.13Å; L28-L32 HydrophobicContact CD2-CD1 3.61Å; L28-L32 HydrophobicContact CD2-CG 4.38Å; L28-L32 HydrophobicContact CG-CD1 4.03Å; L28-L32 HydrophobicContact CG-CG 4.41Å; L28-L32 WeakPolarHBondContact O-CA 3.35Å; L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 WeakPolarHBondContact O-CD1 3.33Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.38Å; L28-F49 HydrophobicContact CD1-CE2 4.24Å; L28-F49 HydrophobicContact CD2-CE2 3.95Å |
| 29 | N | 46.3 | Very low | 44.9 | Very low | 63 Ų | 63 | 78.3 Ų | 78.3 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -50.5 | 172.3 | -113.6 | 0.2 | 0 | 0 | 0 | 112.2 | A25 N26 Y27 Y31 L32 E33 R56 | A25-N29 VanDerWaalsContact O-CB 3.24Å; A25-N29 WeakPolarHBondContact O-CB 3.13Å; A25-N29 PolarHBondContact O-N 3.46Å; N26-N29 WeakPolarHBondContact O-CA 3.08Å; N26-N29 WeakPolarHBondContact O-CB 3.17Å; N26-N29 PolarHBondContact O-N 3.34Å; N26-N29 VanDerWaalsContact O-N 3.16Å; Y27-N29 PolarHBondContact O-N 3.35Å; N29-Y31 PolarHBondContact O-N 2.91Å; N29-L32 PolarHBondContact O-N 2.89Å; N29-L32 VanDerWaalsContact O-N 3.16Å; N29-E33 PolarHBondContact O-N 3.47Å; N29-R56 PolarHBondContact ND2-NH2 2.89Å; N29-R56 PolarHBondContact OD1-NH1 3.46Å; N29-R56 PolarHBondContact OD1-NH2 3.14Å |
| 30 | V | 49.2 | Very low | 45.4 | Very low | 83 Ų | 83 | 73.5 Ų | 73.5 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | N26 Y27 | N26-V30 WeakPolarHBondContact O-CG2 3.4Å; N26-V30 PolarHBondContact O-N 2.96Å; Y27-V30 PolarHBondContact O-N 3.02Å; Y27-V30 VanDerWaalsContact O-N 3.11Å |
| 31 | Y | 45.5 | Very low | 45.5 | Very low | 35 Ų | 35 | 74 Ų | 74 | 14% | 0.137 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81.2 | -26.7 | 177.5 | -80.6 | -103.5 | 0 | 0 | 0 | 113.7 | L5 Y27 L28 N29 R34 M37 | L5-Y31 HydrophobicContact CD1-CD1 3.9Å; L5-Y31 HydrophobicContact CD1-CE1 3.97Å; L5-Y31 HydrophobicContact CD2-CD1 3.62Å; L5-Y31 HydrophobicContact CD2-CE1 3.9Å; L5-Y31 HydrophobicContact CD2-CG 3.96Å; L5-Y31 HydrophobicContact CG-CD1 3.86Å; L5-Y31 HydrophobicContact CG-CE1 3.73Å; Y27-Y31 AromaticContact CD1-CD2 3.73Å; Y27-Y31 HydrophobicContact CD1-CD2 3.73Å; Y27-Y31 AromaticContact CD1-CE2 3.37Å; Y27-Y31 HydrophobicContact CD1-CE2 3.37Å; Y27-Y31 AromaticContact CE1-CD2 3.98Å; Y27-Y31 HydrophobicContact CE1-CD2 3.98Å; Y27-Y31 AromaticContact CE1-CE2 3.12Å; Y27-Y31 HydrophobicContact CE1-CE2 3.12Å; Y27-Y31 AromaticContact CE1-CZ 3.7Å; Y27-Y31 HydrophobicContact CG-CD2 4.47Å; Y27-Y31 HydrophobicContact CG-CE2 4.29Å; Y27-Y31 AromaticContact CZ-CE2 3.85Å; Y27-Y31 WeakPolarHBondContact O-CD2 3.31Å; Y27-Y31 PolarHBondContact O-N 3.28Å; L28-Y31 CarbonylContact O-C 3.09Å; L28-Y31 PolarHBondContact O-N 3.13Å; N29-Y31 PolarHBondContact O-N 2.91Å; Y31-R34 CarbonylContact O-C 3.51Å; Y31-R34 WeakPolarHBondContact O-CA 3.37Å; Y31-R34 PolarHBondContact O-N 3.45Å; Y31-M37 HydrophobicContact CD1-CB 3.96Å; Y31-M37 HydrophobicContact CD1-CE 3.38Å; Y31-M37 HydrophobicContact CD1-CG 4.29Å; Y31-M37 HydrophobicContact CD1-SD 3.39Å; Y31-M37 WeakPolarHBondContact CD1-SD 3.36Å; Y31-M37 HydrophobicContact CE1-CE 3.61Å; Y31-M37 HydrophobicContact CE1-SD 3.36Å; Y31-M37 WeakPolarHBondContact CE1-SD 3.28Å; Y31-M37 HydrophobicContact CG-CE 4.23Å |
| 32 | L | 46.7 | Very low | 45.5 | Very low | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 174 | -90.2 | 157.5 | 0 | 0 | 0 | 111 | L28 N29 R34 S35 V38 | L28-L32 HydrophobicContact CD2-CD1 3.61Å; L28-L32 HydrophobicContact CD2-CG 4.38Å; L28-L32 HydrophobicContact CG-CD1 4.03Å; L28-L32 HydrophobicContact CG-CG 4.41Å; L28-L32 WeakPolarHBondContact O-CA 3.35Å; L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 WeakPolarHBondContact O-CD1 3.33Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.38Å; N29-L32 PolarHBondContact O-N 2.89Å; N29-L32 VanDerWaalsContact O-N 3.16Å; L32-R34 PolarHBondContact O-N 2.9Å; L32-S35 PolarHBondContact O-N 3.42Å; L32-V38 HydrophobicContact CB-CG2 4.31Å; L32-V38 HydrophobicContact CD2-CB 4.47Å; L32-V38 HydrophobicContact CD2-CG1 4.08Å; L32-V38 HydrophobicContact CD2-CG2 3.55Å; L32-V38 HydrophobicContact CG-CG2 3.86Å |
| 33 | E | 48.6 | Very low | 45.7 | Very low | 169 Ų | 169 | 69.7 Ų | 69.7 | 79% | 0.79 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.6 | -35.7 | 170.7 | -160.3 | 171.5 | -164 | 0 | 0 | 110.3 | N29 S35 | N29-E33 PolarHBondContact O-N 3.47Å; E33-S35 VanDerWaalsContact C-N 3.27Å; E33-S35 PolarHBondContact O-N 3.42Å; E33-S35 VanDerWaalsContact O-N 3.12Å |
| 34 | R | 45.1 | Very low | 45.8 | Very low | 166 Ų | 166 | 68 Ų | 68 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -86.9 | 64.7 | 167.4 | -63.8 | -173.3 | 178.6 | -171.6 | 0.6 | 111.5 | Y31 L32 T36 M37 | Y31-R34 CarbonylContact O-C 3.51Å; Y31-R34 WeakPolarHBondContact O-CA 3.37Å; Y31-R34 PolarHBondContact O-N 3.45Å; L32-R34 PolarHBondContact O-N 2.9Å; R34-T36 PolarHBondContact O-N 3.49Å; R34-M37 HydrophobicContact CB-CE 3.64Å; R34-M37 VanDerWaalsContact CD-CE 3.47Å; R34-M37 HydrophobicContact CG-CE 4.2Å; R34-M37 PolarHBondContact O-N 3.31Å |
| 35 | S | 45.2 | Very low | 46 | Very low | 72 Ų | 72 | 71 Ų | 71 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -32.5 | -35.5 | -177.6 | 51.4 | 0 | 0 | 0 | 0 | 117 | L32 E33 M37 V38 F39 | L32-S35 PolarHBondContact O-N 3.42Å; E33-S35 VanDerWaalsContact C-N 3.27Å; E33-S35 PolarHBondContact O-N 3.42Å; E33-S35 VanDerWaalsContact O-N 3.12Å; S35-M37 VanDerWaalsContact C-N 3.33Å; S35-M37 PolarHBondContact O-N 3.2Å; S35-V38 PolarHBondContact O-N 3.47Å; S35-F39 WeakPolarHBondContact O-CD2 3.22Å; S35-F39 WeakPolarHBondContact O-CE2 3.41Å |
| 36 | T | 44.5 | Very low | 45.9 | Very low | 102 Ų | 102 | 72.7 Ų | 72.7 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.9 | -31 | 178.3 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | R34 | R34-T36 PolarHBondContact O-N 3.49Å |
| 37 | M | 42 | Very low | 46 | Very low | 45 Ų | 45 | 71.1 Ų | 71.1 | 22% | 0.222 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -82.2 | -21.5 | -175.2 | -71.7 | -168.3 | -83.6 | 0 | 0 | 113.7 | L5 Y31 R34 S35 F39 | L5-M37 HydrophobicContact CD1-CB 4.16Å; L5-M37 HydrophobicContact CD1-SD 4.49Å; Y31-M37 HydrophobicContact CD1-CB 3.96Å; Y31-M37 HydrophobicContact CD1-CE 3.38Å; Y31-M37 HydrophobicContact CD1-CG 4.29Å; Y31-M37 HydrophobicContact CD1-SD 3.39Å; Y31-M37 WeakPolarHBondContact CD1-SD 3.36Å; Y31-M37 HydrophobicContact CE1-CE 3.61Å; Y31-M37 HydrophobicContact CE1-SD 3.36Å; Y31-M37 WeakPolarHBondContact CE1-SD 3.28Å; Y31-M37 HydrophobicContact CG-CE 4.23Å; R34-M37 HydrophobicContact CB-CE 3.64Å; R34-M37 VanDerWaalsContact CD-CE 3.47Å; R34-M37 HydrophobicContact CG-CE 4.2Å; R34-M37 PolarHBondContact O-N 3.31Å; S35-M37 VanDerWaalsContact C-N 3.33Å; S35-M37 PolarHBondContact O-N 3.2Å; M37-F39 VanDerWaalsContact C-N 3.31Å |
| 38 | V | 44.6 | Very low | 45.9 | Very low | 22 Ų | 22 | 68 Ų | 68 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -36 | 175.5 | -176 | 0 | 0 | 0 | 0 | 110.9 | L32 S35 S40 F41 L42 F49 | L32-V38 HydrophobicContact CB-CG2 4.31Å; L32-V38 HydrophobicContact CD2-CB 4.47Å; L32-V38 HydrophobicContact CD2-CG1 4.08Å; L32-V38 HydrophobicContact CD2-CG2 3.55Å; L32-V38 HydrophobicContact CG-CG2 3.86Å; S35-V38 PolarHBondContact O-N 3.47Å; V38-S40 PolarHBondContact O-N 3.17Å; V38-F41 PolarHBondContact O-N 2.81Å; V38-F41 VanDerWaalsContact O-N 3.15Å; V38-L42 HydrophobicContact CG1-CD1 3.93Å; V38-L42 HydrophobicContact CG1-CG 4.36Å; V38-L42 PolarHBondContact O-N 2.91Å; V38-F49 HydrophobicContact CG1-CE1 4.42Å; V38-F49 HydrophobicContact CG1-CE2 4.17Å; V38-F49 HydrophobicContact CG1-CZ 3.71Å |
| 39 | F | 41.7 | Very low | 46 | Very low | 83 Ų | 83 | 66.8 Ų | 66.8 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 179.3 | -67.5 | -88.1 | 0 | 0 | 0 | 111.9 | S35 M37 F41 L42 T43 T97 | S35-F39 WeakPolarHBondContact O-CD2 3.22Å; S35-F39 WeakPolarHBondContact O-CE2 3.41Å; M37-F39 VanDerWaalsContact C-N 3.31Å; F39-F41 VanDerWaalsContact C-N 3.25Å; F39-F41 PolarHBondContact O-N 3.5Å; F39-L42 PolarHBondContact O-N 2.87Å; F39-T43 PolarHBondContact O-N 3.37Å; F39-T43 PolarHBondContact O-OG1 3.02Å; F39-T97 HydrophobicContact CD1-CG2 3.98Å; F39-T97 HydrophobicContact CE1-CG2 3.44Å; F39-T97 VanDerWaalsContact CE1-CG2 3.44Å; F39-T97 HydrophobicContact CZ-CG2 4.5Å |
| 40 | S | 43.7 | Very low | 46.3 | Very low | 58 Ų | 58 | 65.4 Ų | 65.4 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66 | -28.1 | 178.4 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | V38 T43 V44 | V38-S40 PolarHBondContact O-N 3.17Å; S40-T43 PolarHBondContact O-OG1 2.68Å; S40-V44 WeakPolarHBondContact O-CG2 3.44Å |
| 41 | F | 44.6 | Very low | 46.4 | Very low | 23 Ų | 23 | 67.8 Ų | 67.8 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79.8 | -40.1 | 177.6 | -165.7 | -93.6 | 0 | 0 | 0 | 111.8 | Y9 V38 F39 T43 V44 M45 F49 | Y9-F41 HydrophobicContact CD2-CE2 4.36Å; Y9-F41 AromaticContact CD2-CZ 3.92Å; Y9-F41 HydrophobicContact CD2-CZ 3.92Å; Y9-F41 HydrophobicContact CE2-CZ 4.13Å; Y9-F41 HydrophobicContact CG-CE2 4.45Å; Y9-F41 HydrophobicContact CG-CZ 4.4Å; V38-F41 PolarHBondContact O-N 2.81Å; V38-F41 VanDerWaalsContact O-N 3.15Å; F39-F41 VanDerWaalsContact C-N 3.25Å; F39-F41 PolarHBondContact O-N 3.5Å; F41-T43 VanDerWaalsContact C-N 3.31Å; F41-T43 PolarHBondContact O-N 3.45Å; F41-V44 PolarHBondContact O-N 2.7Å; F41-M45 PolarHBondContact O-N 3.45Å; F41-F49 HydrophobicContact CD1-CB 3.77Å; F41-F49 AromaticContact CD1-CD2 3.42Å; F41-F49 HydrophobicContact CD1-CD2 3.42Å; F41-F49 VanDerWaalsContact CD1-CD2 3.42Å; F41-F49 HydrophobicContact CD1-CE2 4.32Å; F41-F49 AromaticContact CD1-CG 3.92Å; F41-F49 HydrophobicContact CD1-CG 3.92Å; F41-F49 HydrophobicContact CE1-CB 3.67Å; F41-F49 AromaticContact CE1-CD2 3.71Å; F41-F49 HydrophobicContact CE1-CD2 3.71Å; F41-F49 HydrophobicContact CE1-CG 4.15Å |
| 42 | L | 42.8 | Very low | 46.7 | Very low | 20 Ų | 20 | 68.1 Ų | 68.1 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 176.1 | -84.8 | 165.9 | 0 | 0 | 0 | 112.8 | V38 F39 P46 F49 F100 | V38-L42 HydrophobicContact CG1-CD1 3.93Å; V38-L42 HydrophobicContact CG1-CG 4.36Å; V38-L42 PolarHBondContact O-N 2.91Å; F39-L42 PolarHBondContact O-N 2.87Å; L42-P46 WeakPolarHBondContact O-CD 3.18Å; L42-F49 HydrophobicContact CD1-CE1 4.43Å; L42-F49 HydrophobicContact CD2-CD1 3.34Å; L42-F49 HydrophobicContact CD2-CE1 3.66Å; L42-F49 HydrophobicContact CD2-CG 4.12Å; L42-F49 HydrophobicContact CG-CD1 3.99Å; L42-F49 HydrophobicContact CG-CE1 4.02Å; L42-F100 HydrophobicContact CD2-CD2 4.08Å; L42-F100 HydrophobicContact CD2-CE2 4.01Å |
| 43 | T | 46.3 | Very low | 46.8 | Very low | 91 Ų | 91 | 68.1 Ų | 68.1 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -73.6 | -32.3 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | F39 S40 F41 | F39-T43 PolarHBondContact O-N 3.37Å; F39-T43 PolarHBondContact O-OG1 3.02Å; S40-T43 PolarHBondContact O-OG1 2.68Å; F41-T43 VanDerWaalsContact C-N 3.31Å; F41-T43 PolarHBondContact O-N 3.45Å |
| 44 | V | 45.7 | Very low | 47 | Very low | 99 Ų | 99 | 63.2 Ų | 63.2 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -88 | -36 | -174.5 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | S40 F41 | S40-V44 WeakPolarHBondContact O-CG2 3.44Å; F41-V44 PolarHBondContact O-N 2.7Å |
| 45 | M | 49 | Very low | 47.3 | Very low | 81 Ų | 81 | 58.8 Ų | 58.8 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | trans | -146.3 | 68.6 | -177.4 | -69.5 | -175.1 | 175.8 | 0 | 0 | 112.7 | Y9 F41 G47 D48 F49 | Y9-M45 HydrophobicContact CE1-SD 4.33Å; F41-M45 PolarHBondContact O-N 3.45Å; M45-G47 VanDerWaalsContact C-N 3.33Å; M45-G47 PolarHBondContact O-N 2.82Å; M45-D48 PolarHBondContact O-N 3.47Å; M45-F49 PolarHBondContact O-N 3.42Å; M45-F49 VanDerWaalsContact O-N 3.17Å | ||
| 46 | P | 46.4 | Very low | 47.5 | Very low | 56 Ų | 56 | 58 Ų | 58 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | -178.4 | 23.8 | -32.5 | 0 | 0 | 0 | 112.2 | L42 D48 F49 I50 | L42-P46 WeakPolarHBondContact O-CD 3.18Å; P46-D48 PolarHBondContact O-N 3.24Å; P46-F49 PolarHBondContact O-N 3.22Å; P46-I50 WeakPolarHBondContact O-CB 3.43Å; P46-I50 WeakPolarHBondContact O-CD1 3.4Å; P46-I50 WeakPolarHBondContact O-CG1 3.27Å; P46-I50 PolarHBondContact O-N 3.48Å |
| 47 | G | 49.3 | Very low | 47.8 | Very low | 43 Ų | 43 | 56 Ų | 56 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M45 K51 | M45-G47 VanDerWaalsContact C-N 3.33Å; M45-G47 PolarHBondContact O-N 2.82Å; G47-K51 WeakPolarHBondContact O-CG 3.43Å; G47-K51 PolarHBondContact O-N 3.39Å |
| 48 | D | 47.5 | Very low | 48.2 | Very low | 49 Ų | 49 | 55.8 Ų | 55.8 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -82.8 | -29.8 | -178.2 | -67.8 | -28.3 | 0 | 0 | 0 | 112.9 | Y9 M45 P46 K51 C52 | Y9-D48 WeakPolarHBondContact OH-CB 3.04Å; Y9-D48 VanDerWaalsContact OH-CG 3.25Å; Y9-D48 PolarHBondContact OH-OD2 3.37Å; M45-D48 PolarHBondContact O-N 3.47Å; P46-D48 PolarHBondContact O-N 3.24Å; D48-K51 PolarHBondContact O-N 3.01Å; D48-K51 IonicContact OD1-NZ 2.82Å; D48-K51 PolarHBondContact OD1-NZ 2.93Å; D48-C52 PolarHBondContact O-N 3.41Å |
| 49 | F | 51.5 | Low | 48.5 | Very low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 169.8 | -172.8 | -106.3 | 0 | 0 | 0 | 111.6 | L28 V38 F41 L42 M45 P46 K51 C52 L53 | L28-F49 HydrophobicContact CD1-CE2 4.24Å; L28-F49 HydrophobicContact CD2-CE2 3.95Å; V38-F49 HydrophobicContact CG1-CE1 4.42Å; V38-F49 HydrophobicContact CG1-CE2 4.17Å; V38-F49 HydrophobicContact CG1-CZ 3.71Å; F41-F49 HydrophobicContact CD1-CB 3.77Å; F41-F49 AromaticContact CD1-CD2 3.42Å; F41-F49 HydrophobicContact CD1-CD2 3.42Å; F41-F49 VanDerWaalsContact CD1-CD2 3.42Å; F41-F49 HydrophobicContact CD1-CE2 4.32Å; F41-F49 AromaticContact CD1-CG 3.92Å; F41-F49 HydrophobicContact CD1-CG 3.92Å; F41-F49 HydrophobicContact CE1-CB 3.67Å; F41-F49 AromaticContact CE1-CD2 3.71Å; F41-F49 HydrophobicContact CE1-CD2 3.71Å; F41-F49 HydrophobicContact CE1-CG 4.15Å; L42-F49 HydrophobicContact CD1-CE1 4.43Å; L42-F49 HydrophobicContact CD2-CD1 3.34Å; L42-F49 HydrophobicContact CD2-CE1 3.66Å; L42-F49 HydrophobicContact CD2-CG 4.12Å; L42-F49 HydrophobicContact CG-CD1 3.99Å; L42-F49 HydrophobicContact CG-CE1 4.02Å; M45-F49 PolarHBondContact O-N 3.42Å; M45-F49 VanDerWaalsContact O-N 3.17Å; P46-F49 PolarHBondContact O-N 3.22Å; F49-K51 VanDerWaalsContact C-N 3.33Å; F49-K51 PolarHBondContact O-N 3.41Å; F49-C52 PolarHBondContact O-N 3.14Å; F49-C52 VanDerWaalsContact O-N 3.14Å; F49-L53 HydrophobicContact CD1-CD1 3.79Å; F49-L53 HydrophobicContact CD1-CG 4.3Å; F49-L53 HydrophobicContact CE1-CD1 3.25Å; F49-L53 HydrophobicContact CE1-CG 3.91Å; F49-L53 HydrophobicContact CZ-CD1 3.81Å; F49-L53 HydrophobicContact CZ-CD2 4.49Å; F49-L53 HydrophobicContact CZ-CG 4.09Å; F49-L53 PolarHBondContact O-N 3.45Å |
| 50 | I | 53.3 | Low | 48.9 | Very low | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.2 | -68.7 | 164.7 | 0 | 0 | 0 | 110.1 | P46 C52 L53 F54 F100 | P46-I50 WeakPolarHBondContact O-CB 3.43Å; P46-I50 WeakPolarHBondContact O-CD1 3.4Å; P46-I50 WeakPolarHBondContact O-CG1 3.27Å; P46-I50 PolarHBondContact O-N 3.48Å; I50-C52 VanDerWaalsContact C-N 3.33Å; I50-C52 PolarHBondContact O-N 2.98Å; I50-L53 PolarHBondContact O-N 3.36Å; I50-F54 VanDerWaalsContact O-CB 3.28Å; I50-F54 WeakPolarHBondContact O-CB 3.49Å; I50-F54 PolarHBondContact O-N 3.05Å; I50-F100 HydrophobicContact CG1-CZ 4.07Å |
| 51 | K | 51.1 | Low | 49.1 | Very low | 134 Ų | 134 | 59.9 Ų | 59.9 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.8 | -40.2 | 174.6 | -69.8 | 172.8 | -165.6 | 158.4 | 0 | 112.6 | G47 D48 F49 F54 L55 | G47-K51 WeakPolarHBondContact O-CG 3.43Å; G47-K51 PolarHBondContact O-N 3.39Å; D48-K51 PolarHBondContact O-N 3.01Å; D48-K51 IonicContact OD1-NZ 2.82Å; D48-K51 PolarHBondContact OD1-NZ 2.93Å; F49-K51 VanDerWaalsContact C-N 3.33Å; F49-K51 PolarHBondContact O-N 3.41Å; K51-F54 WeakPolarHBondContact O-CB 3.23Å; K51-F54 PolarHBondContact O-N 3.33Å; K51-L55 PolarHBondContact O-N 3.33Å |
| 52 | C | 50.3 | Low | 49.2 | Very low | 41 Ų | 41 | 65.2 Ų | 65.2 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | -179.5 | -162.1 | 0 | 0 | 0 | 0 | 111.8 | D48 F49 I50 F54 L55 R56 | D48-C52 PolarHBondContact O-N 3.41Å; F49-C52 PolarHBondContact O-N 3.14Å; F49-C52 VanDerWaalsContact O-N 3.14Å; I50-C52 VanDerWaalsContact C-N 3.33Å; I50-C52 PolarHBondContact O-N 2.98Å; C52-F54 VanDerWaalsContact C-N 3.3Å; C52-F54 PolarHBondContact O-N 3.47Å; C52-L55 PolarHBondContact O-N 3.47Å; C52-R56 PolarHBondContact O-N 2.97Å |
| 53 | L | 50.6 | Low | 49.7 | Very low | 40 Ų | 40 | 71.1 Ų | 71.1 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 172.1 | -79.9 | 179.7 | 0 | 0 | 0 | 112 | F49 I50 R56 F57 F100 | F49-L53 HydrophobicContact CD1-CD1 3.79Å; F49-L53 HydrophobicContact CD1-CG 4.3Å; F49-L53 HydrophobicContact CE1-CD1 3.25Å; F49-L53 HydrophobicContact CE1-CG 3.91Å; F49-L53 HydrophobicContact CZ-CD1 3.81Å; F49-L53 HydrophobicContact CZ-CD2 4.49Å; F49-L53 HydrophobicContact CZ-CG 4.09Å; F49-L53 PolarHBondContact O-N 3.45Å; I50-L53 PolarHBondContact O-N 3.36Å; L53-R56 PolarHBondContact O-N 3.33Å; L53-F57 WeakPolarHBondContact O-CB 3.21Å; L53-F57 PolarHBondContact O-N 2.97Å; L53-F100 HydrophobicContact CD1-CD1 3.67Å; L53-F100 HydrophobicContact CD1-CE1 3.21Å; L53-F100 HydrophobicContact CD1-CZ 3.99Å |
| 54 | F | 51.5 | Low | 49.9 | Very low | 66 Ų | 66 | 76.4 Ų | 76.4 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.2 | -53.1 | 175.3 | -172.6 | -85.6 | 0 | 0 | 0 | 110.7 | I50 K51 C52 R56 F57 F58 F78 L81 | I50-F54 VanDerWaalsContact O-CB 3.28Å; I50-F54 WeakPolarHBondContact O-CB 3.49Å; I50-F54 PolarHBondContact O-N 3.05Å; K51-F54 WeakPolarHBondContact O-CB 3.23Å; K51-F54 PolarHBondContact O-N 3.33Å; C52-F54 VanDerWaalsContact C-N 3.3Å; C52-F54 PolarHBondContact O-N 3.47Å; F54-R56 VanDerWaalsContact C-N 3.28Å; F54-R56 PolarHBondContact O-N 2.75Å; F54-F57 PolarHBondContact O-N 2.91Å; F54-F57 VanDerWaalsContact O-N 3.13Å; F54-F58 AromaticContact CD1-CD2 3.56Å; F54-F58 HydrophobicContact CD1-CD2 3.56Å; F54-F58 AromaticContact CD1-CE2 3.74Å; F54-F58 HydrophobicContact CD1-CE2 3.74Å; F54-F58 HydrophobicContact CD1-CG 4.39Å; F54-F58 HydrophobicContact CD2-CD2 4.19Å; F54-F58 AromaticContact CD2-CE2 3.73Å; F54-F58 HydrophobicContact CD2-CE2 3.73Å; F54-F58 AromaticContact CE1-CD2 3.42Å; F54-F58 HydrophobicContact CE1-CD2 3.42Å; F54-F58 VanDerWaalsContact CE1-CD2 3.42Å; F54-F58 HydrophobicContact CE1-CE1 4.38Å; F54-F58 AromaticContact CE1-CE2 3.26Å; F54-F58 HydrophobicContact CE1-CE2 3.26Å; F54-F58 HydrophobicContact CE1-CG 4.1Å; F54-F58 AromaticContact CE1-CZ 3.77Å; F54-F58 HydrophobicContact CE1-CZ 3.77Å; F54-F58 HydrophobicContact CE2-CD2 4.09Å; F54-F58 AromaticContact CE2-CE2 3.26Å; F54-F58 HydrophobicContact CE2-CE2 3.26Å; F54-F58 AromaticContact CE2-CZ 3.86Å; F54-F58 HydrophobicContact CE2-CZ 3.86Å; F54-F58 AromaticContact CG-CD2 3.95Å; F54-F58 HydrophobicContact CG-CD2 3.95Å; F54-F58 AromaticContact CG-CE2 3.95Å; F54-F58 HydrophobicContact CG-CE2 3.95Å; F54-F58 AromaticContact CZ-CD2 3.71Å; F54-F58 HydrophobicContact CZ-CD2 3.71Å; F54-F58 HydrophobicContact CZ-CE1 4.25Å; F54-F58 AromaticContact CZ-CE2 2.99Å; F54-F58 HydrophobicContact CZ-CE2 2.99Å; F54-F58 AromaticContact CZ-CZ 3.31Å; F54-F58 HydrophobicContact CZ-CZ 3.31Å; F54-F58 VanDerWaalsContact O-CD2 3.26Å; F54-F58 WeakPolarHBondContact O-CD2 3.49Å; F54-F58 PolarHBondContact O-N 3.49Å; F54-F78 HydrophobicContact CE2-CD2 4.18Å; F54-F78 AromaticContact CZ-CD2 3.91Å; F54-F78 HydrophobicContact CZ-CD2 3.91Å; F54-F78 HydrophobicContact CZ-CE2 4.29Å; F54-L81 HydrophobicContact CD2-CD1 3.64Å; F54-L81 HydrophobicContact CD2-CG 4.5Å; F54-L81 HydrophobicContact CE2-CB 4.32Å; F54-L81 HydrophobicContact CE2-CD1 3.54Å; F54-L81 HydrophobicContact CE2-CG 4.49Å |
| 55 | L | 51.3 | Low | 50.1 | Low | 72 Ų | 72 | 74.6 Ų | 74.6 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 179.4 | -167.3 | 72.7 | 0 | 0 | 0 | 111.8 | I21 K51 C52 F58 V59 | I21-L55 HydrophobicContact CB-CD2 4.34Å; I21-L55 HydrophobicContact CD1-CD2 3.55Å; I21-L55 HydrophobicContact CG1-CD2 3.91Å; I21-L55 HydrophobicContact CG2-CD2 3.48Å; I21-L55 VanDerWaalsContact CG2-CD2 3.48Å; I21-L55 HydrophobicContact CG2-CG 4.48Å; K51-L55 PolarHBondContact O-N 3.33Å; C52-L55 PolarHBondContact O-N 3.47Å; L55-F58 PolarHBondContact O-N 3.29Å; L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 WeakPolarHBondContact O-CG2 2.99Å; L55-V59 PolarHBondContact O-N 2.91Å |
| 56 | R | 49.4 | Very low | 50.3 | Low | 57 Ų | 57 | 76 Ų | 76 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.5 | -171 | 175.6 | -174.6 | -165 | -3 | 112.4 | N29 C52 L53 F54 K60 | N29-R56 PolarHBondContact ND2-NH2 2.89Å; N29-R56 PolarHBondContact OD1-NH1 3.46Å; N29-R56 PolarHBondContact OD1-NH2 3.14Å; C52-R56 PolarHBondContact O-N 2.97Å; L53-R56 PolarHBondContact O-N 3.33Å; F54-R56 VanDerWaalsContact C-N 3.28Å; F54-R56 PolarHBondContact O-N 2.75Å; R56-K60 WeakPolarHBondContact O-CB 3.39Å; R56-K60 PolarHBondContact O-N 3.23Å |
| 57 | F | 51.7 | Low | 50.9 | Low | 59 Ų | 59 | 79.1 Ų | 79.1 | 26% | 0.259 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 178.2 | -164.1 | -79.8 | 0 | 0 | 0 | 110.7 | L53 F54 V59 K60 F61 L77 | L53-F57 WeakPolarHBondContact O-CB 3.21Å; L53-F57 PolarHBondContact O-N 2.97Å; F54-F57 PolarHBondContact O-N 2.91Å; F54-F57 VanDerWaalsContact O-N 3.13Å; F57-V59 PolarHBondContact O-N 3.25Å; F57-K60 PolarHBondContact O-N 3.09Å; F57-F61 AromaticContact CD1-CD2 3.46Å; F57-F61 HydrophobicContact CD1-CD2 3.46Å; F57-F61 VanDerWaalsContact CD1-CD2 3.46Å; F57-F61 AromaticContact CD1-CE2 3.83Å; F57-F61 HydrophobicContact CD1-CE2 3.83Å; F57-F61 HydrophobicContact CD1-CG 4.11Å; F57-F61 HydrophobicContact CD2-CD2 4.45Å; F57-F61 HydrophobicContact CD2-CE2 4.27Å; F57-F61 HydrophobicContact CE1-CD1 4.21Å; F57-F61 AromaticContact CE1-CD2 3.09Å; F57-F61 HydrophobicContact CE1-CD2 3.09Å; F57-F61 HydrophobicContact CE1-CE1 4.15Å; F57-F61 AromaticContact CE1-CE2 3.04Å; F57-F61 HydrophobicContact CE1-CE2 3.04Å; F57-F61 AromaticContact CE1-CG 3.71Å; F57-F61 HydrophobicContact CE1-CG 3.71Å; F57-F61 AromaticContact CE1-CZ 3.59Å; F57-F61 HydrophobicContact CE1-CZ 3.59Å; F57-F61 HydrophobicContact CE2-CD2 4.2Å; F57-F61 AromaticContact CE2-CE2 3.61Å; F57-F61 HydrophobicContact CE2-CE2 3.61Å; F57-F61 HydrophobicContact CE2-CZ 4.37Å; F57-F61 HydrophobicContact CG-CD2 4.15Å; F57-F61 HydrophobicContact CG-CE2 4.39Å; F57-F61 AromaticContact CZ-CD2 3.56Å; F57-F61 HydrophobicContact CZ-CD2 3.56Å; F57-F61 HydrophobicContact CZ-CE1 4.36Å; F57-F61 AromaticContact CZ-CE2 2.95Å; F57-F61 HydrophobicContact CZ-CE2 2.95Å; F57-F61 HydrophobicContact CZ-CG 4.46Å; F57-F61 AromaticContact CZ-CZ 3.42Å; F57-F61 HydrophobicContact CZ-CZ 3.42Å; F57-F61 VanDerWaalsContact CZ-CZ 3.42Å; F57-F61 WeakPolarHBondContact O-CB 3.48Å; F57-F61 WeakPolarHBondContact O-CD2 3.38Å; F57-F61 PolarHBondContact O-N 3.36Å; F57-L77 HydrophobicContact CD1-CD1 4.25Å; F57-L77 HydrophobicContact CD1-CD2 3.27Å; F57-L77 HydrophobicContact CD1-CG 4.33Å; F57-L77 HydrophobicContact CE1-CD1 3.25Å; F57-L77 HydrophobicContact CE1-CD2 3.18Å; F57-L77 HydrophobicContact CE1-CG 3.78Å; F57-L77 HydrophobicContact CG-CD2 4.36Å; F57-L77 HydrophobicContact CZ-CD1 3.7Å; F57-L77 HydrophobicContact CZ-CD2 4.21Å; F57-L77 HydrophobicContact CZ-CG 4.48Å |
| 58 | F | 50 | Low | 51.3 | Low | 40 Ų | 40 | 80 Ų | 80 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.6 | -86.7 | -99.3 | 0 | 0 | 0 | 112.7 | F54 L55 F61 K62 Q74 L77 L81 | F54-F58 AromaticContact CD1-CD2 3.56Å; F54-F58 HydrophobicContact CD1-CD2 3.56Å; F54-F58 AromaticContact CD1-CE2 3.74Å; F54-F58 HydrophobicContact CD1-CE2 3.74Å; F54-F58 HydrophobicContact CD1-CG 4.39Å; F54-F58 HydrophobicContact CD2-CD2 4.19Å; F54-F58 AromaticContact CD2-CE2 3.73Å; F54-F58 HydrophobicContact CD2-CE2 3.73Å; F54-F58 AromaticContact CE1-CD2 3.42Å; F54-F58 HydrophobicContact CE1-CD2 3.42Å; F54-F58 VanDerWaalsContact CE1-CD2 3.42Å; F54-F58 HydrophobicContact CE1-CE1 4.38Å; F54-F58 AromaticContact CE1-CE2 3.26Å; F54-F58 HydrophobicContact CE1-CE2 3.26Å; F54-F58 HydrophobicContact CE1-CG 4.1Å; F54-F58 AromaticContact CE1-CZ 3.77Å; F54-F58 HydrophobicContact CE1-CZ 3.77Å; F54-F58 HydrophobicContact CE2-CD2 4.09Å; F54-F58 AromaticContact CE2-CE2 3.26Å; F54-F58 HydrophobicContact CE2-CE2 3.26Å; F54-F58 AromaticContact CE2-CZ 3.86Å; F54-F58 HydrophobicContact CE2-CZ 3.86Å; F54-F58 AromaticContact CG-CD2 3.95Å; F54-F58 HydrophobicContact CG-CD2 3.95Å; F54-F58 AromaticContact CG-CE2 3.95Å; F54-F58 HydrophobicContact CG-CE2 3.95Å; F54-F58 AromaticContact CZ-CD2 3.71Å; F54-F58 HydrophobicContact CZ-CD2 3.71Å; F54-F58 HydrophobicContact CZ-CE1 4.25Å; F54-F58 AromaticContact CZ-CE2 2.99Å; F54-F58 HydrophobicContact CZ-CE2 2.99Å; F54-F58 AromaticContact CZ-CZ 3.31Å; F54-F58 HydrophobicContact CZ-CZ 3.31Å; F54-F58 VanDerWaalsContact O-CD2 3.26Å; F54-F58 WeakPolarHBondContact O-CD2 3.49Å; F54-F58 PolarHBondContact O-N 3.49Å; L55-F58 PolarHBondContact O-N 3.29Å; F58-F61 PolarHBondContact O-N 3.41Å; F58-K62 VanDerWaalsContact O-CB 3.24Å; F58-K62 WeakPolarHBondContact O-CB 3.17Å; F58-K62 PolarHBondContact O-N 3.25Å; F58-Q74 HydrophobicContact CD1-CG 4.24Å; F58-Q74 HydrophobicContact CE1-CB 4.25Å; F58-Q74 HydrophobicContact CE1-CG 3.8Å; F58-L77 HydrophobicContact CE2-CD2 3.92Å; F58-L77 HydrophobicContact CZ-CD2 4.26Å; F58-L81 HydrophobicContact CE2-CD1 3.89Å |
| 59 | V | 51.3 | Low | 51.7 | Low | 78 Ų | 78 | 82.5 Ų | 82.5 | 47% | 0.473 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 111 | L55 F57 F61 L63 | L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 WeakPolarHBondContact O-CG2 2.99Å; L55-V59 PolarHBondContact O-N 2.91Å; F57-V59 PolarHBondContact O-N 3.25Å; V59-F61 VanDerWaalsContact C-N 3.35Å; V59-F61 PolarHBondContact O-N 2.89Å; V59-L63 HydrophobicContact CG1-CD1 4.36Å; V59-L63 WeakPolarHBondContact O-CG 3.25Å; V59-L63 PolarHBondContact O-N 3.49Å |
| 60 | K | 49.9 | Very low | 51.8 | Low | 109 Ų | 109 | 82.8 Ų | 82.8 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 175.8 | -78.5 | -169.8 | 176.3 | -173.5 | 0 | 112.3 | R56 F57 L63 R64 | R56-K60 WeakPolarHBondContact O-CB 3.39Å; R56-K60 PolarHBondContact O-N 3.23Å; F57-K60 PolarHBondContact O-N 3.09Å; K60-L63 PolarHBondContact O-N 3.08Å; K60-R64 PolarHBondContact O-N 3.13Å |
| 61 | F | 46.9 | Very low | 51.9 | Low | 62 Ų | 62 | 86.5 Ų | 86.5 | 27% | 0.272 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73 | -39.5 | 179.8 | -96 | -102.5 | 0 | 0 | 0 | 113 | F57 F58 V59 L63 R64 F65 | F57-F61 AromaticContact CD1-CD2 3.46Å; F57-F61 HydrophobicContact CD1-CD2 3.46Å; F57-F61 VanDerWaalsContact CD1-CD2 3.46Å; F57-F61 AromaticContact CD1-CE2 3.83Å; F57-F61 HydrophobicContact CD1-CE2 3.83Å; F57-F61 HydrophobicContact CD1-CG 4.11Å; F57-F61 HydrophobicContact CD2-CD2 4.45Å; F57-F61 HydrophobicContact CD2-CE2 4.27Å; F57-F61 HydrophobicContact CE1-CD1 4.21Å; F57-F61 AromaticContact CE1-CD2 3.09Å; F57-F61 HydrophobicContact CE1-CD2 3.09Å; F57-F61 HydrophobicContact CE1-CE1 4.15Å; F57-F61 AromaticContact CE1-CE2 3.04Å; F57-F61 HydrophobicContact CE1-CE2 3.04Å; F57-F61 AromaticContact CE1-CG 3.71Å; F57-F61 HydrophobicContact CE1-CG 3.71Å; F57-F61 AromaticContact CE1-CZ 3.59Å; F57-F61 HydrophobicContact CE1-CZ 3.59Å; F57-F61 HydrophobicContact CE2-CD2 4.2Å; F57-F61 AromaticContact CE2-CE2 3.61Å; F57-F61 HydrophobicContact CE2-CE2 3.61Å; F57-F61 HydrophobicContact CE2-CZ 4.37Å; F57-F61 HydrophobicContact CG-CD2 4.15Å; F57-F61 HydrophobicContact CG-CE2 4.39Å; F57-F61 AromaticContact CZ-CD2 3.56Å; F57-F61 HydrophobicContact CZ-CD2 3.56Å; F57-F61 HydrophobicContact CZ-CE1 4.36Å; F57-F61 AromaticContact CZ-CE2 2.95Å; F57-F61 HydrophobicContact CZ-CE2 2.95Å; F57-F61 HydrophobicContact CZ-CG 4.46Å; F57-F61 AromaticContact CZ-CZ 3.42Å; F57-F61 HydrophobicContact CZ-CZ 3.42Å; F57-F61 VanDerWaalsContact CZ-CZ 3.42Å; F57-F61 WeakPolarHBondContact O-CB 3.48Å; F57-F61 WeakPolarHBondContact O-CD2 3.38Å; F57-F61 PolarHBondContact O-N 3.36Å; F58-F61 PolarHBondContact O-N 3.41Å; V59-F61 VanDerWaalsContact C-N 3.35Å; V59-F61 PolarHBondContact O-N 2.89Å; F61-L63 PolarHBondContact O-N 3.43Å; F61-R64 PolarHBondContact O-N 3.38Å; F61-F65 AromaticContact CD1-CD2 3.85Å; F61-F65 HydrophobicContact CD1-CD2 3.85Å; F61-F65 AromaticContact CD1-CE2 3.83Å; F61-F65 HydrophobicContact CD1-CE2 3.83Å; F61-F65 HydrophobicContact CE1-CD2 4.3Å; F61-F65 AromaticContact CE1-CE2 3.8Å; F61-F65 HydrophobicContact CE1-CE2 3.8Å; F61-F65 PolarHBondContact O-N 3.33Å |
| 62 | K | 48.1 | Very low | 52.3 | Low | 135 Ų | 135 | 86 Ų | 86 | 59% | 0.587 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.4 | -35 | 174.2 | -170.6 | 177.5 | -179 | -176.6 | 0 | 111.9 | F58 R64 L70 | F58-K62 VanDerWaalsContact O-CB 3.24Å; F58-K62 WeakPolarHBondContact O-CB 3.17Å; F58-K62 PolarHBondContact O-N 3.25Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-L70 HydrophobicContact CB-CD1 4.3Å; K62-L70 HydrophobicContact CG-CD2 4.04Å |
| 63 | L | 52 | Low | 52.3 | Low | 145 Ų | 145 | 88 Ų | 88 | 76% | 0.759 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.6 | -29.9 | 174 | -77.4 | 165.2 | 0 | 0 | 0 | 113.4 | V59 K60 F61 | V59-L63 HydrophobicContact CG1-CD1 4.36Å; V59-L63 WeakPolarHBondContact O-CG 3.25Å; V59-L63 PolarHBondContact O-N 3.49Å; K60-L63 PolarHBondContact O-N 3.08Å; F61-L63 PolarHBondContact O-N 3.43Å |
| 64 | R | 50.1 | Low | 52.4 | Low | 202 Ų | 202 | 88.9 Ų | 88.9 | 76% | 0.762 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -92.4 | -25.7 | -174.1 | -137.2 | 177.5 | -157.8 | 167.9 | 4.8 | 114 | K60 F61 K62 | K60-R64 PolarHBondContact O-N 3.13Å; F61-R64 PolarHBondContact O-N 3.38Å; K62-R64 VanDerWaalsContact C-N 3.34Å |
| 65 | F | 50.8 | Low | 52.7 | Low | 60 Ų | 60 | 92.8 Ų | 92.8 | 26% | 0.263 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -124.8 | 96.1 | -177.9 | -65.4 | -81.9 | 0 | 0 | 0 | 111 | F61 N67 L69 L70 | F61-F65 AromaticContact CD1-CD2 3.85Å; F61-F65 HydrophobicContact CD1-CD2 3.85Å; F61-F65 AromaticContact CD1-CE2 3.83Å; F61-F65 HydrophobicContact CD1-CE2 3.83Å; F61-F65 HydrophobicContact CE1-CD2 4.3Å; F61-F65 AromaticContact CE1-CE2 3.8Å; F61-F65 HydrophobicContact CE1-CE2 3.8Å; F61-F65 PolarHBondContact O-N 3.33Å; F65-N67 PolarHBondContact O-N 3.41Å; F65-N67 VanDerWaalsContact O-N 3.17Å; F65-L69 HydrophobicContact CD1-CB 4.41Å; F65-L69 HydrophobicContact CD1-CD1 4.29Å; F65-L70 HydrophobicContact CB-CD1 4.2Å; F65-L70 WeakPolarHBondContact O-CD1 3.47Å |
| 66 | P | 53.8 | Low | 52.9 | Low | 111 Ų | 111 | 94.6 Ų | 94.6 | 72% | 0.721 | 47% | 0.47 | S | S | * | . | trans | -64.9 | 117.7 | 176.9 | 23.1 | -30.4 | 0 | 0 | 0 | 111.6 | G68 | P66-G68 VanDerWaalsContact C-N 3.3Å; P66-G68 PolarHBondContact O-N 3.2Å | ||
| 67 | N | 58 | Low | 53.2 | Low | 122 Ų | 122 | 93.1 Ų | 93.1 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | -43.5 | 163.1 | -62.6 | -12.9 | 0 | 0 | 0 | 121.3 | F65 | F65-N67 PolarHBondContact O-N 3.41Å; F65-N67 VanDerWaalsContact O-N 3.17Å |
| 68 | G | 57.5 | Low | 53.4 | Low | 62 Ų | 62 | 95.2 Ų | 95.2 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -80 | -53.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | P66 L70 | P66-G68 VanDerWaalsContact C-N 3.3Å; P66-G68 PolarHBondContact O-N 3.2Å; G68-L70 VanDerWaalsContact C-N 3.25Å; G68-L70 PolarHBondContact O-N 3.01Å |
| 69 | L | 55.6 | Low | 53.6 | Low | 100 Ų | 100 | 97.4 Ų | 97.4 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.8 | -22.5 | 174.9 | -71.8 | 167.9 | 0 | 0 | 0 | 111.9 | F65 N71 I72 F73 | F65-L69 HydrophobicContact CD1-CB 4.41Å; F65-L69 HydrophobicContact CD1-CD1 4.29Å; L69-N71 VanDerWaalsContact C-N 3.32Å; L69-N71 PolarHBondContact O-N 2.9Å; L69-I72 PolarHBondContact O-N 3.16Å; L69-F73 HydrophobicContact CB-CD2 4.06Å; L69-F73 HydrophobicContact CB-CE2 4.38Å; L69-F73 HydrophobicContact CD2-CE2 4.31Å; L69-F73 WeakPolarHBondContact O-CB 3.48Å; L69-F73 WeakPolarHBondContact O-CD2 3.35Å; L69-F73 PolarHBondContact O-N 3.45Å |
| 70 | L | 53.6 | Low | 53.5 | Low | 11 Ų | 11 | 98.4 Ų | 98.4 | 6% | 0.058 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.3 | -42.2 | -174.9 | -162.8 | 80.8 | 0 | 0 | 0 | 112 | K62 F65 G68 Q74 | K62-L70 HydrophobicContact CB-CD1 4.3Å; K62-L70 HydrophobicContact CG-CD2 4.04Å; F65-L70 HydrophobicContact CB-CD1 4.2Å; F65-L70 WeakPolarHBondContact O-CD1 3.47Å; G68-L70 VanDerWaalsContact C-N 3.25Å; G68-L70 PolarHBondContact O-N 3.01Å; L70-Q74 HydrophobicContact CG-CG 3.98Å; L70-Q74 WeakPolarHBondContact O-CA 3.17Å; L70-Q74 WeakPolarHBondContact O-CB 3Å; L70-Q74 WeakPolarHBondContact O-CG 3.4Å; L70-Q74 PolarHBondContact O-N 3.19Å |
| 71 | N | 57 | Low | 53.5 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 59% | 0.594 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.7 | -42.4 | -176.2 | -75.2 | -14.8 | 0 | 0 | 0 | 113.1 | L69 K75 | L69-N71 VanDerWaalsContact C-N 3.32Å; L69-N71 PolarHBondContact O-N 2.9Å; N71-K75 WeakPolarHBondContact O-CB 3.36Å; N71-K75 PolarHBondContact O-N 3.49Å |
| 72 | I | 58.7 | Low | 53.8 | Low | 122 Ų | 122 | 96 Ų | 96 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69 | -46.2 | 178.6 | -61 | 174 | 0 | 0 | 0 | 109.5 | L69 K75 M76 | L69-I72 PolarHBondContact O-N 3.16Å; I72-K75 PolarHBondContact O-N 2.79Å; I72-M76 WeakPolarHBondContact O-CB 3.4Å; I72-M76 PolarHBondContact O-N 3.38Å |
| 73 | F | 51.2 | Low | 53.9 | Low | 84 Ų | 84 | 95.7 Ų | 95.7 | 37% | 0.368 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.4 | -87.8 | -86.7 | 0 | 0 | 0 | 111.5 | L69 K75 M76 L77 | L69-F73 HydrophobicContact CB-CD2 4.06Å; L69-F73 HydrophobicContact CB-CE2 4.38Å; L69-F73 HydrophobicContact CD2-CE2 4.31Å; L69-F73 WeakPolarHBondContact O-CB 3.48Å; L69-F73 WeakPolarHBondContact O-CD2 3.35Å; L69-F73 PolarHBondContact O-N 3.45Å; F73-K75 VanDerWaalsContact C-N 3.32Å; F73-K75 PolarHBondContact O-N 2.83Å; F73-M76 PolarHBondContact O-N 3.17Å; F73-L77 WeakPolarHBondContact O-CB 3.48Å; F73-L77 PolarHBondContact O-N 3.26Å |
| 74 | Q | 52.6 | Low | 53.8 | Low | 59 Ų | 59 | 90.5 Ų | 90.5 | 28% | 0.276 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.7 | -80.5 | 176.5 | -15.9 | 0 | 0 | 111.7 | F58 L70 F78 | F58-Q74 HydrophobicContact CD1-CG 4.24Å; F58-Q74 HydrophobicContact CE1-CB 4.25Å; F58-Q74 HydrophobicContact CE1-CG 3.8Å; L70-Q74 HydrophobicContact CG-CG 3.98Å; L70-Q74 WeakPolarHBondContact O-CA 3.17Å; L70-Q74 WeakPolarHBondContact O-CB 3Å; L70-Q74 WeakPolarHBondContact O-CG 3.4Å; L70-Q74 PolarHBondContact O-N 3.19Å; Q74-F78 WeakPolarHBondContact O-CA 3.5Å; Q74-F78 WeakPolarHBondContact O-CB 3.42Å; Q74-F78 PolarHBondContact O-N 3.3Å |
| 75 | K | 58 | Low | 53.9 | Low | 147 Ų | 147 | 83 Ų | 83 | 64% | 0.639 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.9 | -44.8 | 177.7 | -171.8 | 173.5 | -177.8 | 179.2 | 0 | 111.8 | N71 I72 F73 L77 F78 N79 | N71-K75 WeakPolarHBondContact O-CB 3.36Å; N71-K75 PolarHBondContact O-N 3.49Å; I72-K75 PolarHBondContact O-N 2.79Å; F73-K75 VanDerWaalsContact C-N 3.32Å; F73-K75 PolarHBondContact O-N 2.83Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 2.91Å; K75-F78 PolarHBondContact O-N 3.41Å; K75-N79 WeakPolarHBondContact O-CB 3.17Å; K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 2.92Å |
| 76 | M | 55.6 | Low | 53.8 | Low | 110 Ų | 110 | 84.7 Ų | 84.7 | 54% | 0.542 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.6 | -175.1 | -178.2 | -89.8 | 0 | 0 | 111.2 | I72 F73 N79 M80 | I72-M76 WeakPolarHBondContact O-CB 3.4Å; I72-M76 PolarHBondContact O-N 3.38Å; F73-M76 PolarHBondContact O-N 3.17Å; M76-N79 PolarHBondContact O-N 3.18Å; M76-M80 HydrophobicContact CG-CE 3.78Å; M76-M80 PolarHBondContact O-N 2.78Å; M76-M80 HydrophobicContact SD-CE 4.15Å |
| 77 | L | 54 | Low | 53.2 | Low | 26 Ų | 26 | 83.7 Ų | 83.7 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 178.8 | -152.7 | 107.3 | 0 | 0 | 0 | 111.3 | F57 F58 F73 K75 N79 M80 L81 | F57-L77 HydrophobicContact CD1-CD1 4.25Å; F57-L77 HydrophobicContact CD1-CD2 3.27Å; F57-L77 HydrophobicContact CD1-CG 4.33Å; F57-L77 HydrophobicContact CE1-CD1 3.25Å; F57-L77 HydrophobicContact CE1-CD2 3.18Å; F57-L77 HydrophobicContact CE1-CG 3.78Å; F57-L77 HydrophobicContact CG-CD2 4.36Å; F57-L77 HydrophobicContact CZ-CD1 3.7Å; F57-L77 HydrophobicContact CZ-CD2 4.21Å; F57-L77 HydrophobicContact CZ-CG 4.48Å; F58-L77 HydrophobicContact CE2-CD2 3.92Å; F58-L77 HydrophobicContact CZ-CD2 4.26Å; F73-L77 WeakPolarHBondContact O-CB 3.48Å; F73-L77 PolarHBondContact O-N 3.26Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 2.91Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.39Å; L77-M80 PolarHBondContact O-N 2.84Å; L77-L81 HydrophobicContact CD2-CD1 3.44Å; L77-L81 VanDerWaalsContact CD2-CD1 3.44Å; L77-L81 HydrophobicContact CD2-CG 4.46Å; L77-L81 HydrophobicContact CG-CD1 3.99Å; L77-L81 WeakPolarHBondContact O-CB 3.24Å; L77-L81 VanDerWaalsContact O-CD1 3.28Å; L77-L81 WeakPolarHBondContact O-CD1 3.36Å; L77-L81 WeakPolarHBondContact O-CG 3.3Å; L77-L81 PolarHBondContact O-N 3.25Å |
| 78 | F | 57.7 | Low | 52.6 | Low | 104 Ų | 104 | 78.2 Ų | 78.2 | 46% | 0.456 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 173.6 | -174.2 | -97.6 | 0 | 0 | 0 | 111.1 | F54 Q74 K75 L81 V82 | F54-F78 HydrophobicContact CE2-CD2 4.18Å; F54-F78 AromaticContact CZ-CD2 3.91Å; F54-F78 HydrophobicContact CZ-CD2 3.91Å; F54-F78 HydrophobicContact CZ-CE2 4.29Å; Q74-F78 WeakPolarHBondContact O-CA 3.5Å; Q74-F78 WeakPolarHBondContact O-CB 3.42Å; Q74-F78 PolarHBondContact O-N 3.3Å; K75-F78 PolarHBondContact O-N 3.41Å; F78-L81 CarbonylContact O-C 3.59Å; F78-L81 PolarHBondContact O-N 3.28Å; F78-V82 HydrophobicContact CD1-CG2 3.93Å; F78-V82 HydrophobicContact CE1-CG2 3.56Å; F78-V82 HydrophobicContact CE2-CG2 4.28Å; F78-V82 HydrophobicContact CG-CG2 4.44Å; F78-V82 HydrophobicContact CZ-CG2 3.75Å; F78-V82 VanDerWaalsContact O-CG2 3.31Å; F78-V82 WeakPolarHBondContact O-CG2 3.25Å; F78-V82 PolarHBondContact O-N 3.43Å |
| 79 | N | 52.4 | Low | 52.1 | Low | 86 Ų | 86 | 82.2 Ų | 82.2 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 176.2 | -76.4 | -3.2 | 0 | 0 | 0 | 112.2 | K75 M76 L77 L81 V82 Q83 | K75-N79 WeakPolarHBondContact O-CB 3.17Å; K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 2.92Å; M76-N79 PolarHBondContact O-N 3.18Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.39Å; N79-L81 PolarHBondContact O-N 2.95Å; N79-V82 PolarHBondContact O-N 2.69Å; N79-Q83 WeakPolarHBondContact O-CB 3.43Å; N79-Q83 WeakPolarHBondContact O-CG 3.39Å; N79-Q83 PolarHBondContact O-N 2.96Å |
| 80 | M | 50.5 | Low | 51.7 | Low | 98 Ų | 98 | 86 Ų | 86 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.2 | -37.4 | 173.3 | -80.9 | -165.6 | -91.2 | 0 | 0 | 111.3 | M76 L77 Q83 V84 | M76-M80 HydrophobicContact CG-CE 3.78Å; M76-M80 PolarHBondContact O-N 2.78Å; M76-M80 HydrophobicContact SD-CE 4.15Å; L77-M80 PolarHBondContact O-N 2.84Å; M80-Q83 WeakPolarHBondContact O-CB 3.42Å; M80-Q83 PolarHBondContact O-N 2.99Å; M80-V84 WeakPolarHBondContact O-CB 3.38Å; M80-V84 WeakPolarHBondContact O-CG2 3.22Å; M80-V84 PolarHBondContact O-N 3.47Å |
| 81 | L | 50.4 | Low | 51 | Low | 46 Ų | 46 | 89.1 Ų | 89.1 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.9 | -39.1 | -179.7 | -76.9 | 163.4 | 0 | 0 | 0 | 113 | F54 F58 L77 F78 N79 Q83 V84 T85 | F54-L81 HydrophobicContact CD2-CD1 3.64Å; F54-L81 HydrophobicContact CD2-CG 4.5Å; F54-L81 HydrophobicContact CE2-CB 4.32Å; F54-L81 HydrophobicContact CE2-CD1 3.54Å; F54-L81 HydrophobicContact CE2-CG 4.49Å; F58-L81 HydrophobicContact CE2-CD1 3.89Å; L77-L81 HydrophobicContact CD2-CD1 3.44Å; L77-L81 VanDerWaalsContact CD2-CD1 3.44Å; L77-L81 HydrophobicContact CD2-CG 4.46Å; L77-L81 HydrophobicContact CG-CD1 3.99Å; L77-L81 WeakPolarHBondContact O-CB 3.24Å; L77-L81 VanDerWaalsContact O-CD1 3.28Å; L77-L81 WeakPolarHBondContact O-CD1 3.36Å; L77-L81 WeakPolarHBondContact O-CG 3.3Å; L77-L81 PolarHBondContact O-N 3.25Å; F78-L81 CarbonylContact O-C 3.59Å; F78-L81 PolarHBondContact O-N 3.28Å; N79-L81 PolarHBondContact O-N 2.95Å; L81-Q83 VanDerWaalsContact C-N 3.3Å; L81-V84 PolarHBondContact O-N 3.27Å; L81-T85 VanDerWaalsContact O-CB 3.31Å; L81-T85 WeakPolarHBondContact O-CB 3.48Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 3.47Å |
| 82 | V | 52.2 | Low | 50.3 | Low | 74 Ų | 74 | 94.6 Ų | 94.6 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 172.1 | 171.4 | 0 | 0 | 0 | 0 | 109.4 | F78 N79 T85 H86 | F78-V82 HydrophobicContact CD1-CG2 3.93Å; F78-V82 HydrophobicContact CE1-CG2 3.56Å; F78-V82 HydrophobicContact CE2-CG2 4.28Å; F78-V82 HydrophobicContact CG-CG2 4.44Å; F78-V82 HydrophobicContact CZ-CG2 3.75Å; F78-V82 VanDerWaalsContact O-CG2 3.31Å; F78-V82 WeakPolarHBondContact O-CG2 3.25Å; F78-V82 PolarHBondContact O-N 3.43Å; N79-V82 PolarHBondContact O-N 2.69Å; V82-T85 PolarHBondContact O-N 3.49Å; V82-H86 WeakPolarHBondContact O-CB 3.06Å; V82-H86 PolarHBondContact O-N 2.84Å |
| 83 | Q | 50.2 | Low | 49.6 | Very low | 130 Ų | 130 | 94.1 Ų | 94.1 | 61% | 0.607 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61 | -49.2 | 173.4 | -77.8 | 179.2 | -19.5 | 0 | 0 | 111.7 | N79 M80 L81 T85 H86 E87 | N79-Q83 WeakPolarHBondContact O-CB 3.43Å; N79-Q83 WeakPolarHBondContact O-CG 3.39Å; N79-Q83 PolarHBondContact O-N 2.96Å; M80-Q83 WeakPolarHBondContact O-CB 3.42Å; M80-Q83 PolarHBondContact O-N 2.99Å; L81-Q83 VanDerWaalsContact C-N 3.3Å; Q83-T85 PolarHBondContact O-N 2.88Å; Q83-H86 PolarHBondContact O-N 3.23Å; Q83-E87 VanDerWaalsContact O-CB 3.3Å; Q83-E87 WeakPolarHBondContact O-CB 3.42Å; Q83-E87 WeakPolarHBondContact O-CG 3.32Å; Q83-E87 PolarHBondContact O-N 3.46Å |
| 84 | V | 50.1 | Low | 49 | Very low | 36 Ų | 36 | 95 Ų | 95 | 22% | 0.218 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.8 | 166.2 | 0 | 0 | 0 | 0 | 110.5 | M80 L81 H86 E87 L88 F99 | M80-V84 WeakPolarHBondContact O-CB 3.38Å; M80-V84 WeakPolarHBondContact O-CG2 3.22Å; M80-V84 PolarHBondContact O-N 3.47Å; L81-V84 PolarHBondContact O-N 3.27Å; V84-H86 VanDerWaalsContact C-N 3.34Å; V84-H86 PolarHBondContact O-N 3.22Å; V84-E87 CarbonylContact O-C 3.6Å; V84-E87 PolarHBondContact O-N 2.91Å; V84-L88 HydrophobicContact CG1-CD1 3.46Å; V84-L88 VanDerWaalsContact CG1-CD1 3.46Å; V84-L88 HydrophobicContact CG1-CG 3.92Å; V84-L88 WeakPolarHBondContact O-CB 3.14Å; V84-L88 WeakPolarHBondContact O-CG 3.27Å; V84-L88 PolarHBondContact O-N 2.05Å; V84-F99 HydrophobicContact CB-CZ 4.23Å; V84-F99 HydrophobicContact CG1-CD1 4.12Å; V84-F99 HydrophobicContact CG1-CE1 3.35Å; V84-F99 HydrophobicContact CG1-CE2 4.37Å; V84-F99 HydrophobicContact CG1-CZ 3.5Å; V84-F99 HydrophobicContact CG2-CE1 4.3Å; V84-F99 HydrophobicContact CG2-CE2 4.15Å; V84-F99 HydrophobicContact CG2-CZ 3.58Å |
| 85 | T | 52 | Low | 48.5 | Very low | 43 Ų | 43 | 94 Ų | 94 | 26% | 0.264 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | -179.8 | -48.3 | 0 | 0 | 0 | 0 | 111 | L81 V82 Q83 L88 L89 | L81-T85 VanDerWaalsContact O-CB 3.31Å; L81-T85 WeakPolarHBondContact O-CB 3.48Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 3.47Å; V82-T85 PolarHBondContact O-N 3.49Å; Q83-T85 PolarHBondContact O-N 2.88Å; T85-L88 PolarHBondContact O-N 3.13Å; T85-L89 HydrophobicContact CG2-CD1 4.11Å; T85-L89 VanDerWaalsContact O-CB 3.27Å; T85-L89 WeakPolarHBondContact O-CB 3.32Å; T85-L89 WeakPolarHBondContact O-CD1 3.43Å; T85-L89 WeakPolarHBondContact O-CG 3.12Å; T85-L89 PolarHBondContact O-N 2.75Å |
| 86 | H | 48 | Very low | 47.8 | Very low | 96 Ų | 96 | 88 Ų | 88 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67 | -43 | 176.1 | -174.9 | -90.5 | 0 | 0 | 0 | 111.8 | V82 Q83 V84 L89 R90 | V82-H86 WeakPolarHBondContact O-CB 3.06Å; V82-H86 PolarHBondContact O-N 2.84Å; Q83-H86 PolarHBondContact O-N 3.23Å; V84-H86 VanDerWaalsContact C-N 3.34Å; V84-H86 PolarHBondContact O-N 3.22Å; H86-L89 PolarHBondContact O-N 2.84Å; H86-R90 PolarHBondContact O-N 3.45Å |
| 87 | E | 43 | Very low | 47.2 | Very low | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 173.3 | -77.9 | -60.4 | 140.3 | 0 | 0 | 111.8 | Q83 V84 L89 R90 M91 | Q83-E87 VanDerWaalsContact O-CB 3.3Å; Q83-E87 WeakPolarHBondContact O-CB 3.42Å; Q83-E87 WeakPolarHBondContact O-CG 3.32Å; Q83-E87 PolarHBondContact O-N 3.46Å; V84-E87 CarbonylContact O-C 3.6Å; V84-E87 PolarHBondContact O-N 2.91Å; E87-L89 VanDerWaalsContact C-N 3.35Å; E87-R90 CarbonylContact O-C 3.51Å; E87-R90 PolarHBondContact O-N 3.42Å; E87-M91 WeakPolarHBondContact O-CA 3.19Å; E87-M91 WeakPolarHBondContact O-CB 3.2Å; E87-M91 VanDerWaalsContact O-CG 3.23Å; E87-M91 WeakPolarHBondContact O-CG 3.49Å; E87-M91 PolarHBondContact O-N 3.28Å |
| 88 | L | 44.8 | Very low | 46.5 | Very low | 8 Ų | 8 | 88 Ų | 88 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.4 | -34 | 175.4 | -69.9 | 173.5 | 0 | 0 | 0 | 111.6 | V84 T85 R90 M91 I96 F99 F100 | V84-L88 HydrophobicContact CG1-CD1 3.46Å; V84-L88 VanDerWaalsContact CG1-CD1 3.46Å; V84-L88 HydrophobicContact CG1-CG 3.92Å; V84-L88 WeakPolarHBondContact O-CB 3.14Å; V84-L88 WeakPolarHBondContact O-CG 3.27Å; V84-L88 PolarHBondContact O-N 2.05Å; T85-L88 PolarHBondContact O-N 3.13Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-M91 PolarHBondContact O-N 3.49Å; L88-I96 HydrophobicContact CB-CD1 4.28Å; L88-I96 HydrophobicContact CB-CG1 4.17Å; L88-I96 HydrophobicContact CD2-CB 3.91Å; L88-I96 HydrophobicContact CD2-CG1 3.66Å; L88-I96 HydrophobicContact CD2-CG2 4.05Å; L88-I96 HydrophobicContact CG-CG1 4.47Å; L88-I96 WeakPolarHBondContact O-CD1 3.12Å; L88-F99 HydrophobicContact CD1-CD1 4.33Å; L88-F99 HydrophobicContact CD2-CB 4.12Å; L88-F99 HydrophobicContact CD2-CD1 4.19Å; L88-F99 HydrophobicContact CD2-CG 4.21Å; L88-F100 HydrophobicContact CD1-CE2 4.25Å; L88-F100 HydrophobicContact CD1-CZ 4.33Å |
| 89 | L | 47.8 | Very low | 45.9 | Very low | 145 Ų | 145 | 86.3 Ų | 86.3 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.1 | -35.9 | 170.9 | -86.5 | 156.2 | 0 | 0 | 0 | 111.3 | T85 H86 E87 | T85-L89 HydrophobicContact CG2-CD1 4.11Å; T85-L89 VanDerWaalsContact O-CB 3.27Å; T85-L89 WeakPolarHBondContact O-CB 3.32Å; T85-L89 WeakPolarHBondContact O-CD1 3.43Å; T85-L89 WeakPolarHBondContact O-CG 3.12Å; T85-L89 PolarHBondContact O-N 2.75Å; H86-L89 PolarHBondContact O-N 2.84Å; E87-L89 VanDerWaalsContact C-N 3.35Å |
| 90 | R | 46.1 | Very low | 45.6 | Very low | 181 Ų | 181 | 83.2 Ų | 83.2 | 68% | 0.683 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.8 | -36.6 | 173.8 | -84 | -174.3 | 165.1 | 177.3 | -3.9 | 113.1 | H86 E87 L88 R92 | H86-R90 PolarHBondContact O-N 3.45Å; E87-R90 CarbonylContact O-C 3.51Å; E87-R90 PolarHBondContact O-N 3.42Å; L88-R90 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 2.8Å |
| 91 | M | 39.1 | Very low | 45.4 | Very low | 75 Ų | 75 | 85.2 Ų | 85.2 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -85.8 | 114.1 | -175.5 | -71.7 | -137.1 | -81.2 | 0 | 0 | 109.9 | E87 L88 I93 S95 | E87-M91 WeakPolarHBondContact O-CA 3.19Å; E87-M91 WeakPolarHBondContact O-CB 3.2Å; E87-M91 VanDerWaalsContact O-CG 3.23Å; E87-M91 WeakPolarHBondContact O-CG 3.49Å; E87-M91 PolarHBondContact O-N 3.28Å; L88-M91 PolarHBondContact O-N 3.49Å; M91-I93 PolarHBondContact O-N 3.36Å; M91-S95 WeakPolarHBondContact CE-OG 3.41Å; M91-S95 PolarHBondContact SD-OG 2.66Å |
| 92 | R | 41.7 | Very low | 45 | Very low | 226 Ų | 226 | 86.9 Ų | 86.9 | 85% | 0.853 | 43% | 0.425 | S | S | * | . | trans | -39.9 | 139.9 | 171.2 | -64.9 | -178.3 | 177.1 | -177.4 | -1.1 | 111.4 | R90 C94 S95 | R90-R92 PolarHBondContact O-N 2.8Å; R92-C94 PolarHBondContact O-N 3.15Å; R92-S95 PolarHBondContact O-N 3.27Å | ||
| 93 | I | 44 | Very low | 44.5 | Very low | 112 Ų | 112 | 86.5 Ų | 86.5 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -32 | -34.1 | -175.5 | -61.7 | 165.8 | 0 | 0 | 0 | 115.3 | M91 S95 I96 T97 | M91-I93 PolarHBondContact O-N 3.36Å; I93-S95 PolarHBondContact O-N 3.15Å; I93-I96 PolarHBondContact O-N 3.16Å; I93-T97 PolarHBondContact O-N 3.31Å; I93-T97 PolarHBondContact O-OG1 3.16Å |
| 94 | C | 39.4 | Very low | 44.2 | Very low | 103 Ų | 103 | 84.6 Ų | 84.6 | 70% | 0.696 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.9 | -35.7 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 114.7 | R92 T97 | R92-C94 PolarHBondContact O-N 3.15Å; C94-T97 WeakPolarHBondContact O-CB 3.09Å |
| 95 | S | 41.2 | Very low | 43.7 | Very low | 38 Ų | 38 | 92.7 Ų | 92.7 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -75.5 | -33 | -179.3 | -160.5 | 0 | 0 | 0 | 0 | 111.9 | M91 R92 I93 T97 N98 F99 | M91-S95 WeakPolarHBondContact CE-OG 3.41Å; M91-S95 PolarHBondContact SD-OG 2.66Å; R92-S95 PolarHBondContact O-N 3.27Å; I93-S95 PolarHBondContact O-N 3.15Å; S95-T97 VanDerWaalsContact C-N 3.25Å; S95-T97 PolarHBondContact O-N 3.23Å; S95-N98 PolarHBondContact O-N 3.44Å; S95-N98 VanDerWaalsContact O-N 3.14Å; S95-F99 WeakPolarHBondContact O-CB 3.38Å; S95-F99 PolarHBondContact O-N 3.48Å |
| 96 | I | 43 | Very low | 42.9 | Very low | 22 Ų | 22 | 97.3 Ų | 97.3 | 11% | 0.113 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 175.1 | -53.3 | -173.4 | 0 | 0 | 0 | 110.4 | L88 I93 N98 F99 F100 | L88-I96 HydrophobicContact CB-CD1 4.28Å; L88-I96 HydrophobicContact CB-CG1 4.17Å; L88-I96 HydrophobicContact CD2-CB 3.91Å; L88-I96 HydrophobicContact CD2-CG1 3.66Å; L88-I96 HydrophobicContact CD2-CG2 4.05Å; L88-I96 HydrophobicContact CG-CG1 4.47Å; L88-I96 WeakPolarHBondContact O-CD1 3.12Å; I93-I96 PolarHBondContact O-N 3.16Å; I96-N98 PolarHBondContact O-N 3.38Å; I96-F99 PolarHBondContact O-N 2.91Å; I96-F100 HydrophobicContact CG2-CD2 3.58Å; I96-F100 HydrophobicContact CG2-CE2 3.48Å; I96-F100 VanDerWaalsContact CG2-CE2 3.48Å; I96-F100 VanDerWaalsContact O-CD2 3.25Å; I96-F100 WeakPolarHBondContact O-CD2 3.29Å; I96-F100 PolarHBondContact O-N 3.35Å |
| 97 | T | 42.8 | Very low | 42.2 | Very low | 37 Ų | 37 | 99.2 Ų | 99.2 | 23% | 0.227 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | F39 I93 C94 S95 R101 | F39-T97 HydrophobicContact CD1-CG2 3.98Å; F39-T97 HydrophobicContact CE1-CG2 3.44Å; F39-T97 VanDerWaalsContact CE1-CG2 3.44Å; F39-T97 HydrophobicContact CZ-CG2 4.5Å; I93-T97 PolarHBondContact O-N 3.31Å; I93-T97 PolarHBondContact O-OG1 3.16Å; C94-T97 WeakPolarHBondContact O-CB 3.09Å; S95-T97 VanDerWaalsContact C-N 3.25Å; S95-T97 PolarHBondContact O-N 3.23Å; T97-R101 WeakPolarHBondContact O-CB 2.97Å; T97-R101 PolarHBondContact O-N 3.12Å; T97-R101 VanDerWaalsContact O-N 3.08Å |
| 98 | N | 41.2 | Very low | 42.2 | Very low | 97 Ų | 97 | 99.7 Ų | 99.7 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71 | -40.2 | 178.4 | -78.4 | -16.9 | 0 | 0 | 0 | 111.7 | S95 I96 R101 V102 | S95-N98 PolarHBondContact O-N 3.44Å; S95-N98 VanDerWaalsContact O-N 3.14Å; I96-N98 PolarHBondContact O-N 3.38Å; N98-R101 PolarHBondContact O-N 3.11Å; N98-V102 WeakPolarHBondContact O-CG2 3.43Å; N98-V102 PolarHBondContact O-N 2.95Å |
| 99 | F | 44.5 | Very low | 42 | Very low | 69 Ų | 69 | 104.5 Ų | 104.5 | 30% | 0.303 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 177.3 | -177.1 | -93.3 | 0 | 0 | 0 | 111.6 | V84 L88 S95 I96 V102 L103 | V84-F99 HydrophobicContact CB-CZ 4.23Å; V84-F99 HydrophobicContact CG1-CD1 4.12Å; V84-F99 HydrophobicContact CG1-CE1 3.35Å; V84-F99 HydrophobicContact CG1-CE2 4.37Å; V84-F99 HydrophobicContact CG1-CZ 3.5Å; V84-F99 HydrophobicContact CG2-CE1 4.3Å; V84-F99 HydrophobicContact CG2-CE2 4.15Å; V84-F99 HydrophobicContact CG2-CZ 3.58Å; L88-F99 HydrophobicContact CD1-CD1 4.33Å; L88-F99 HydrophobicContact CD2-CB 4.12Å; L88-F99 HydrophobicContact CD2-CD1 4.19Å; L88-F99 HydrophobicContact CD2-CG 4.21Å; S95-F99 WeakPolarHBondContact O-CB 3.38Å; S95-F99 PolarHBondContact O-N 3.48Å; I96-F99 PolarHBondContact O-N 2.91Å; F99-V102 PolarHBondContact O-N 2.94Å; F99-L103 HydrophobicContact CE1-CD1 4.24Å; F99-L103 HydrophobicContact CZ-CD1 4.27Å; F99-L103 PolarHBondContact O-N 2.87Å |
| 100 | F | 45.6 | Very low | 41.7 | Very low | 22 Ų | 22 | 102.3 Ų | 102.3 | 10% | 0.096 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.6 | -80.3 | -64.7 | 0 | 0 | 0 | 112.9 | L42 I50 L53 L88 I96 V102 L103 V104 | L42-F100 HydrophobicContact CD2-CD2 4.08Å; L42-F100 HydrophobicContact CD2-CE2 4.01Å; I50-F100 HydrophobicContact CG1-CZ 4.07Å; L53-F100 HydrophobicContact CD1-CD1 3.67Å; L53-F100 HydrophobicContact CD1-CE1 3.21Å; L53-F100 HydrophobicContact CD1-CZ 3.99Å; L88-F100 HydrophobicContact CD1-CE2 4.25Å; L88-F100 HydrophobicContact CD1-CZ 4.33Å; I96-F100 HydrophobicContact CG2-CD2 3.58Å; I96-F100 HydrophobicContact CG2-CE2 3.48Å; I96-F100 VanDerWaalsContact CG2-CE2 3.48Å; I96-F100 VanDerWaalsContact O-CD2 3.25Å; I96-F100 WeakPolarHBondContact O-CD2 3.29Å; I96-F100 PolarHBondContact O-N 3.35Å; F100-V102 PolarHBondContact O-N 3.34Å; F100-L103 PolarHBondContact O-N 3.49Å; F100-V104 WeakPolarHBondContact O-CB 3.28Å; F100-V104 VanDerWaalsContact O-CG2 3.3Å; F100-V104 WeakPolarHBondContact O-CG2 3.49Å; F100-V104 PolarHBondContact O-N 2.99Å |
| 101 | R | 46.6 | Very low | 41.4 | Very low | 139 Ų | 139 | 97.6 Ų | 97.6 | 53% | 0.525 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -35.7 | 174.8 | -175 | -178.9 | -101.2 | 174.7 | -7.2 | 111.7 | T97 N98 R105 | T97-R101 WeakPolarHBondContact O-CB 2.97Å; T97-R101 PolarHBondContact O-N 3.12Å; T97-R101 VanDerWaalsContact O-N 3.08Å; N98-R101 PolarHBondContact O-N 3.11Å; R101-R105 WeakPolarHBondContact O-CG 3.36Å; R101-R105 PolarHBondContact O-N 3.2Å |
| 102 | V | 42.2 | Very low | 41.6 | Very low | 82 Ų | 82 | 99.1 Ų | 99.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.5 | -45 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | N98 F99 F100 V104 R105 L106 | N98-V102 WeakPolarHBondContact O-CG2 3.43Å; N98-V102 PolarHBondContact O-N 2.95Å; F99-V102 PolarHBondContact O-N 2.94Å; F100-V102 PolarHBondContact O-N 3.34Å; V102-V104 PolarHBondContact O-N 3.45Å; V102-R105 WeakPolarHBondContact O-CB 3.39Å; V102-R105 PolarHBondContact O-N 3.26Å; V102-R105 VanDerWaalsContact O-N 3.09Å; V102-L106 HydrophobicContact CG1-CD1 3.98Å; V102-L106 PolarHBondContact O-N 3.5Å |
| 103 | L | 41 | Very low | 41.6 | Very low | 66 Ų | 66 | 90.6 Ų | 90.6 | 35% | 0.346 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | -179.8 | -161.4 | 94.2 | 0 | 0 | 0 | 112.3 | F99 F100 R105 L106 V107 | F99-L103 HydrophobicContact CE1-CD1 4.24Å; F99-L103 HydrophobicContact CZ-CD1 4.27Å; F99-L103 PolarHBondContact O-N 2.87Å; F100-L103 PolarHBondContact O-N 3.49Å; L103-R105 VanDerWaalsContact C-N 3.25Å; L103-R105 PolarHBondContact O-N 3.34Å; L103-L106 PolarHBondContact O-N 2.96Å; L103-L106 VanDerWaalsContact O-N 3.13Å; L103-V107 PolarHBondContact O-N 2.77Å |
| 104 | V | 44.5 | Very low | 41.4 | Very low | 90 Ų | 90 | 89.1 Ų | 89.1 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -28.2 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111.9 | F100 V102 L106 | F100-V104 WeakPolarHBondContact O-CB 3.28Å; F100-V104 VanDerWaalsContact O-CG2 3.3Å; F100-V104 WeakPolarHBondContact O-CG2 3.49Å; F100-V104 PolarHBondContact O-N 2.99Å; V102-V104 PolarHBondContact O-N 3.45Å; V104-L106 VanDerWaalsContact C-N 3.33Å |
| 105 | R | 40.2 | Very low | 41.6 | Very low | 205 Ų | 205 | 88 Ų | 88 | 77% | 0.774 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -77 | -19.9 | 174.3 | -75.3 | 177.6 | 175.6 | -177.8 | -1.6 | 113.5 | R101 V102 L103 | R101-R105 WeakPolarHBondContact O-CG 3.36Å; R101-R105 PolarHBondContact O-N 3.2Å; V102-R105 WeakPolarHBondContact O-CB 3.39Å; V102-R105 PolarHBondContact O-N 3.26Å; V102-R105 VanDerWaalsContact O-N 3.09Å; L103-R105 VanDerWaalsContact C-N 3.25Å; L103-R105 PolarHBondContact O-N 3.34Å |
| 106 | L | 33.6 | Very low | 41.6 | Very low | 140 Ų | 140 | 92.2 Ų | 92.2 | 73% | 0.733 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -89.4 | -17.5 | -176.3 | -106.3 | 146.2 | 0 | 0 | 0 | 113.4 | V102 L103 V104 | V102-L106 HydrophobicContact CG1-CD1 3.98Å; V102-L106 PolarHBondContact O-N 3.5Å; L103-L106 PolarHBondContact O-N 2.96Å; L103-L106 VanDerWaalsContact O-N 3.13Å; V104-L106 VanDerWaalsContact C-N 3.33Å |
| 107 | V | 34 | Very low | 41.5 | Very low | 137 Ų | 137 | 98.5 Ų | 98.5 | 83% | 0.83 | 49% | 0.49 | S | S | * | . | trans | -107.5 | 0 | -178.6 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | L103 | L103-V107 PolarHBondContact O-N 2.77Š|
Retrieved 107 of 107 residues in 20.7 ms
(Link to these results)