| 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 | 52.5 | Low | 56.6 | Low | 134 Ų | 134 | 81.8 Ų | 81.8 | 66% | 0.66 | 40% | 0.401 | S | S | * | . | 0 | 93.5 | 0 | -77.6 | -173.6 | 174.9 | 0 | 0 | 110.3 | R4 P5 D124 | M1-R4 HydrophobicContact SD-CG 4.17Å; M1-R4 VanDerWaalsContact SD-CZ 3.52Å; M1-R4 PolarHBondContact SD-NE 2.97Å; M1-R4 VanDerWaalsContact SD-NE 3.39Å; M1-P5 WeakPolarHBondContact O-CD 3.44Å; M1-D124 CarbonylContact C-O 3.53Å; M1-D124 VanDerWaalsContact CA-CG 3.48Å; M1-D124 WeakPolarHBondContact CA-O 3.14Å; M1-D124 WeakPolarHBondContact CA-OD2 3.32Å; M1-D124 WeakPolarHBondContact CB-OD2 3.29Å; M1-D124 WeakPolarHBondContact CG-OD2 3.4Å; M1-D124 PolarHBondContact N-O 2.96Å | |||
| 2 | Y | 60.2 | Low | 55.8 | Low | 16 Ų | 16 | 81 Ų | 81 | 6% | 0.063 | 41% | 0.408 | C | S | . | . | trans | -79.2 | -33.5 | 174.9 | 158.4 | -86.6 | 0 | 0 | 0 | 111.3 | R4 P5 L6 D124 T125 L126 W129 R169 M173 | Y2-R4 PolarHBondContact O-N 3.3Å; Y2-P5 WeakPolarHBondContact O-CD 3.29Å; Y2-L6 HydrophobicContact CD1-CD1 4.31Å; Y2-L6 HydrophobicContact CD2-CD1 3.76Å; Y2-L6 HydrophobicContact CE1-CD1 3.82Å; Y2-L6 HydrophobicContact CE2-CD1 3.19Å; Y2-L6 HydrophobicContact CG-CD1 4.25Å; Y2-L6 WeakPolarHBondContact OH-CD1 3Å; Y2-D124 WeakPolarHBondContact CA-OD1 3.46Å; Y2-D124 VanDerWaalsContact CB-OD1 3.31Å; Y2-D124 WeakPolarHBondContact CB-OD1 3.36Å; Y2-D124 PolarHBondContact N-O 3.14Å; Y2-D124 PolarHBondContact N-OD1 2.93Å; Y2-D124 PolarHBondContact N-OD2 2.64Å; Y2-T125 VanDerWaalsContact CB-C 3.44Å; Y2-L126 HydrophobicContact CD2-CB 4.16Å; Y2-L126 HydrophobicContact CD2-CD1 3.85Å; Y2-L126 HydrophobicContact CE2-CD1 3.62Å; Y2-W129 HydrophobicContact CD1-CB 4.14Å; Y2-W129 HydrophobicContact CD2-CB 4.3Å; Y2-W129 HydrophobicContact CE1-CB 3.65Å; Y2-W129 AromaticContact CE1-CD1 3.86Å; Y2-W129 AromaticContact CE1-CG 3.75Å; Y2-W129 HydrophobicContact CE1-CG 3.75Å; Y2-W129 HydrophobicContact CE2-CB 3.82Å; Y2-W129 HydrophobicContact CE2-CD2 4.03Å; Y2-W129 HydrophobicContact CE2-CE3 4.25Å; Y2-W129 AromaticContact CE2-CG 3.83Å; Y2-W129 HydrophobicContact CE2-CG 3.83Å; Y2-W129 HydrophobicContact CG-CB 4.46Å; Y2-W129 VanDerWaalsContact CZ-CB 3.48Å; Y2-W129 AromaticContact CZ-CD1 3.57Å; Y2-W129 AromaticContact CZ-CD2 3.74Å; Y2-W129 AromaticContact CZ-CG 3.26Å; Y2-W129 VanDerWaalsContact OH-CE2 3.3Å; Y2-W129 PolarHBondContact OH-NE1 3.22Å; Y2-R169 PolarHBondContact OH-NH1 2.8Å; Y2-M173 HydrophobicContact CD2-CE 4.31Å; Y2-M173 HydrophobicContact CD2-SD 3.61Å; Y2-M173 HydrophobicContact CE2-SD 4.38Å; Y2-M173 HydrophobicContact CG-SD 4.46Å | ||
| 3 | R | 64.3 | Low | 55.5 | Low | 73 Ų | 73 | 79 Ų | 79 | 28% | 0.275 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 177.7 | -67.4 | 173.3 | -164 | -164.1 | 10.1 | 113.6 | Q7 D114 F117 D124 | R3-Q7 WeakPolarHBondContact O-CB 3.45Å; R3-Q7 VanDerWaalsContact O-CG 3.25Å; R3-Q7 WeakPolarHBondContact O-CG 3.42Å; R3-Q7 PolarHBondContact O-N 3.32Å; R3-D114 IonicContact CZ-OD1 3.31Å; R3-D114 IonicContact CZ-OD2 3.43Å; R3-D114 IonicContact NE-OD1 2.81Å; R3-D114 PolarHBondContact NE-OD1 2.97Å; R3-D114 VanDerWaalsContact NE-OD1 3.07Å; R3-D114 IonicContact NE-OD2 3.51Å; R3-D114 IonicContact NH1-OD1 2.68Å; R3-D114 PolarHBondContact NH1-OD1 3.11Å; R3-D114 IonicContact NH1-OD2 3.53Å; R3-D114 PolarHBondContact NH1-OD2 2.94Å; R3-D114 IonicContact NH2-OD1 2.8Å; R3-F117 VanDerWaalsContact NH2-CB 3.29Å; R3-D124 WeakPolarHBondContact CG-OD1 3.5Å; R3-D124 PolarHBondContact N-OD1 3.2Å; R3-D124 PolarHBondContact N-OD2 2.81Å |
| 4 | R | 56.8 | Low | 54.9 | Low | 165 Ų | 165 | 80.7 Ų | 80.7 | 62% | 0.623 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.3 | -52.3 | -172 | -72.1 | -172.2 | -176.8 | 173.7 | 3.7 | 114.4 | M1 Y2 L6 Q7 V8 | M1-R4 HydrophobicContact SD-CG 4.17Å; M1-R4 VanDerWaalsContact SD-CZ 3.52Å; M1-R4 PolarHBondContact SD-NE 2.97Å; M1-R4 VanDerWaalsContact SD-NE 3.39Å; Y2-R4 PolarHBondContact O-N 3.3Å; R4-L6 VanDerWaalsContact C-N 3.33Å; R4-L6 PolarHBondContact O-N 3.02Å; R4-Q7 PolarHBondContact O-N 2.63Å; R4-V8 WeakPolarHBondContact O-CG2 3.21Å; R4-V8 PolarHBondContact O-N 3.28Å |
| 5 | P | 58 | Low | 53.9 | Low | 46 Ų | 46 | 88.3 Ų | 88.3 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | -179.8 | -25.7 | 35.8 | 0 | 0 | 0 | 113.1 | M1 Y2 V8 A9 M173 | M1-P5 WeakPolarHBondContact O-CD 3.44Å; Y2-P5 WeakPolarHBondContact O-CD 3.29Å; P5-V8 PolarHBondContact O-N 2.7Å; P5-A9 WeakPolarHBondContact O-CB 3.34Å; P5-A9 PolarHBondContact O-N 3.44Å; P5-M173 HydrophobicContact CB-CG 4.35Å |
| 6 | L | 59.2 | Low | 53.3 | Low | 32 Ų | 32 | 84.8 Ų | 84.8 | 17% | 0.168 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.4 | -37.4 | -178.8 | -72 | 165.6 | 0 | 0 | 0 | 112.7 | Y2 R4 V8 A9 A10 R169 I172 | Y2-L6 HydrophobicContact CD1-CD1 4.31Å; Y2-L6 HydrophobicContact CD2-CD1 3.76Å; Y2-L6 HydrophobicContact CE1-CD1 3.82Å; Y2-L6 HydrophobicContact CE2-CD1 3.19Å; Y2-L6 HydrophobicContact CG-CD1 4.25Å; Y2-L6 WeakPolarHBondContact OH-CD1 3Å; R4-L6 VanDerWaalsContact C-N 3.33Å; R4-L6 PolarHBondContact O-N 3.02Å; L6-V8 VanDerWaalsContact C-N 3.29Å; L6-V8 PolarHBondContact O-N 3.19Å; L6-A9 PolarHBondContact O-N 2.89Å; L6-A10 WeakPolarHBondContact O-CB 3.24Å; L6-A10 PolarHBondContact O-N 2.84Å; L6-R169 HydrophobicContact CD1-CG 4.44Å; L6-R169 HydrophobicContact CD2-CG 4.13Å; L6-I172 HydrophobicContact CD2-CD1 4.45Å; L6-I172 HydrophobicContact CD2-CG2 4.02Å |
| 7 | Q | 56 | Low | 52.8 | Low | 95 Ų | 95 | 83.4 Ų | 83.4 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 170.7 | -73.2 | 176.2 | 5.4 | 0 | 0 | 112.1 | R3 R4 R11 | R3-Q7 WeakPolarHBondContact O-CB 3.45Å; R3-Q7 VanDerWaalsContact O-CG 3.25Å; R3-Q7 WeakPolarHBondContact O-CG 3.42Å; R3-Q7 PolarHBondContact O-N 3.32Å; R4-Q7 PolarHBondContact O-N 2.63Å; Q7-R11 WeakPolarHBondContact O-CB 3.33Å; Q7-R11 WeakPolarHBondContact O-CD 3.41Å; Q7-R11 WeakPolarHBondContact O-CG 3.4Å; Q7-R11 PolarHBondContact O-N 2.83Å; Q7-R11 VanDerWaalsContact O-N 3.08Å |
| 8 | V | 55.7 | Low | 52.2 | Low | 84 Ų | 84 | 83.3 Ų | 83.3 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 172.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | R4 P5 L6 A10 R11 C12 | R4-V8 WeakPolarHBondContact O-CG2 3.21Å; R4-V8 PolarHBondContact O-N 3.28Å; P5-V8 PolarHBondContact O-N 2.7Å; L6-V8 VanDerWaalsContact C-N 3.29Å; L6-V8 PolarHBondContact O-N 3.19Å; V8-A10 PolarHBondContact O-N 2.89Å; V8-R11 PolarHBondContact O-N 3.14Å; V8-C12 WeakPolarHBondContact O-CB 3.29Å; V8-C12 PolarHBondContact O-N 3.27Å; V8-C12 PolarHBondContact O-SG 3.06Å; V8-C12 VanDerWaalsContact O-SG 3.35Å |
| 9 | A | 56.8 | Low | 51.7 | Low | 35 Ų | 35 | 83.1 Ų | 83.1 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P5 L6 C12 A13 I172 | P5-A9 WeakPolarHBondContact O-CB 3.34Å; P5-A9 PolarHBondContact O-N 3.44Å; L6-A9 PolarHBondContact O-N 2.89Å; A9-C12 PolarHBondContact O-N 3.17Å; A9-A13 WeakPolarHBondContact O-CB 3.39Å; A9-A13 PolarHBondContact O-N 3.48Å; A9-I172 HydrophobicContact CB-CG2 3.91Å |
| 10 | A | 55.5 | Low | 51.2 | Low | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L6 V8 C12 A13 V14 | L6-A10 WeakPolarHBondContact O-CB 3.24Å; L6-A10 PolarHBondContact O-N 2.84Å; V8-A10 PolarHBondContact O-N 2.89Å; A10-C12 VanDerWaalsContact C-N 3.32Å; A10-C12 PolarHBondContact O-N 3.38Å; A10-A13 PolarHBondContact O-N 2.94Å; A10-V14 WeakPolarHBondContact O-CG2 3.09Å; A10-V14 PolarHBondContact O-N 2.93Å |
| 11 | R | 47.1 | Very low | 50.4 | Low | 165 Ų | 165 | 86.4 Ų | 86.4 | 62% | 0.623 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -38 | 175.4 | -73.6 | 168.5 | -176.9 | -172 | 2 | 112.2 | Q7 V8 R15 | Q7-R11 WeakPolarHBondContact O-CB 3.33Å; Q7-R11 WeakPolarHBondContact O-CD 3.41Å; Q7-R11 WeakPolarHBondContact O-CG 3.4Å; Q7-R11 PolarHBondContact O-N 2.83Å; Q7-R11 VanDerWaalsContact O-N 3.08Å; V8-R11 PolarHBondContact O-N 3.14Å; R11-R15 WeakPolarHBondContact O-CB 3.48Å; R11-R15 VanDerWaalsContact O-CG 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.43Å; R11-R15 PolarHBondContact O-N 3.39Å |
| 12 | C | 47.7 | Very low | 49.6 | Very low | 72 Ų | 72 | 84.5 Ų | 84.5 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 174 | -71.6 | 0 | 0 | 0 | 0 | 112 | V8 A9 A10 R15 A16 | V8-C12 WeakPolarHBondContact O-CB 3.29Å; V8-C12 PolarHBondContact O-N 3.27Å; V8-C12 PolarHBondContact O-SG 3.06Å; V8-C12 VanDerWaalsContact O-SG 3.35Å; A9-C12 PolarHBondContact O-N 3.17Å; A10-C12 VanDerWaalsContact C-N 3.32Å; A10-C12 PolarHBondContact O-N 3.38Å; C12-R15 PolarHBondContact O-N 2.97Å; C12-A16 WeakPolarHBondContact O-CB 3.39Å; C12-A16 PolarHBondContact O-N 2.95Å |
| 13 | A | 52 | Low | 48.2 | Very low | 55 Ų | 55 | 88.8 Ų | 88.8 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A9 A10 A16 A17 | A9-A13 WeakPolarHBondContact O-CB 3.39Å; A9-A13 PolarHBondContact O-N 3.48Å; A10-A13 PolarHBondContact O-N 2.94Å; A13-A16 CarbonylContact O-C 3.54Å; A13-A16 PolarHBondContact O-N 2.84Å; A13-A17 WeakPolarHBondContact O-CB 3.15Å; A13-A17 PolarHBondContact O-N 3.44Å |
| 14 | V | 47.4 | Very low | 46.6 | Very low | 103 Ų | 103 | 89.8 Ų | 89.8 | 62% | 0.624 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | A10 A16 A17 A18 | A10-V14 WeakPolarHBondContact O-CG2 3.09Å; A10-V14 PolarHBondContact O-N 2.93Å; V14-A16 VanDerWaalsContact C-N 3.34Å; V14-A16 PolarHBondContact O-N 2.81Å; V14-A17 PolarHBondContact O-N 3.01Å; V14-A18 PolarHBondContact O-N 3Å |
| 15 | R | 39 | Very low | 45.5 | Very low | 194 Ų | 194 | 91 Ų | 91 | 73% | 0.732 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.7 | -40.9 | 173.9 | -76.4 | 174.3 | 173.7 | -170.4 | -3.3 | 112.3 | R11 C12 A17 A18 S19 | R11-R15 WeakPolarHBondContact O-CB 3.48Å; R11-R15 VanDerWaalsContact O-CG 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.43Å; R11-R15 PolarHBondContact O-N 3.39Å; C12-R15 PolarHBondContact O-N 2.97Å; R15-A17 VanDerWaalsContact C-N 3.33Å; R15-A18 PolarHBondContact O-N 2.81Å; R15-S19 PolarHBondContact O-N 3.47Å; R15-S19 PolarHBondContact O-OG 2.71Å |
| 16 | A | 44.9 | Very low | 44 | Very low | 33 Ų | 33 | 96.7 Ų | 96.7 | 27% | 0.273 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.3 | -23.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C12 A13 V14 S19 R20 | C12-A16 WeakPolarHBondContact O-CB 3.39Å; C12-A16 PolarHBondContact O-N 2.95Å; A13-A16 CarbonylContact O-C 3.54Å; A13-A16 PolarHBondContact O-N 2.84Å; V14-A16 VanDerWaalsContact C-N 3.34Å; V14-A16 PolarHBondContact O-N 2.81Å; A16-S19 WeakPolarHBondContact CA-OG 3.49Å; A16-S19 PolarHBondContact O-OG 3.15Å; A16-R20 VanDerWaalsContact O-CB 3.29Å; A16-R20 WeakPolarHBondContact O-CB 3.41Å; A16-R20 VanDerWaalsContact O-CG 3.27Å; A16-R20 WeakPolarHBondContact O-CG 3.28Å; A16-R20 PolarHBondContact O-N 3.34Å; A16-R20 PolarHBondContact O-NE 2.96Å |
| 17 | A | 44.8 | Very low | 42.5 | Very low | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.3 | -45.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A13 V14 R15 S19 R20 | A13-A17 WeakPolarHBondContact O-CB 3.15Å; A13-A17 PolarHBondContact O-N 3.44Å; V14-A17 PolarHBondContact O-N 3.01Å; R15-A17 VanDerWaalsContact C-N 3.33Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 2.83Å; A17-R20 PolarHBondContact O-N 2.77Å; A17-R20 VanDerWaalsContact O-N 3.14Å |
| 18 | A | 42.3 | Very low | 41.1 | Very low | 82 Ų | 82 | 108 Ų | 108 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.8 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V14 R15 | V14-A18 PolarHBondContact O-N 3Å; R15-A18 PolarHBondContact O-N 2.81Å |
| 19 | S | 42.2 | Very low | 39.7 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -25.3 | 174.6 | 65.3 | 0 | 0 | 0 | 0 | 114.1 | R15 A16 A17 G21 A22 | R15-S19 PolarHBondContact O-N 3.47Å; R15-S19 PolarHBondContact O-OG 2.71Å; A16-S19 WeakPolarHBondContact CA-OG 3.49Å; A16-S19 PolarHBondContact O-OG 3.15Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 2.83Å; S19-G21 PolarHBondContact O-N 2.86Å; S19-A22 PolarHBondContact O-N 3.49Å |
| 20 | R | 41 | Very low | 38.3 | Very low | 160 Ų | 160 | 117.3 Ų | 117.3 | 60% | 0.604 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.3 | -7 | 177.7 | -87.8 | 178.7 | -74.9 | -167.2 | 0.4 | 114.5 | A16 A17 A22 | A16-R20 VanDerWaalsContact O-CB 3.29Å; A16-R20 WeakPolarHBondContact O-CB 3.41Å; A16-R20 VanDerWaalsContact O-CG 3.27Å; A16-R20 WeakPolarHBondContact O-CG 3.28Å; A16-R20 PolarHBondContact O-N 3.34Å; A16-R20 PolarHBondContact O-NE 2.96Å; A17-R20 PolarHBondContact O-N 2.77Å; A17-R20 VanDerWaalsContact O-N 3.14Å; R20-A22 PolarHBondContact O-N 3.23Å; R20-A22 VanDerWaalsContact O-N 3.13Å |
| 21 | G | 34.7 | Very low | 36.8 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -12.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S19 | S19-G21 PolarHBondContact O-N 2.86Š|
| 22 | A | 35.1 | Very low | 35.9 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 0 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S19 R20 | S19-A22 PolarHBondContact O-N 3.49Å; R20-A22 PolarHBondContact O-N 3.23Å; R20-A22 VanDerWaalsContact O-N 3.13Å |
| 23 | C | 32.1 | Very low | 34.8 | Very low | 105 Ų | 105 | 128 Ų | 128 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | -150.7 | 80.3 | -178.3 | -151.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 24 | A | 29.8 | Very low | 33.8 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -112.8 | 78.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 25 | K | 33.7 | Very low | 32.8 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -166.7 | 152.9 | 162.9 | -106.5 | 160.4 | -170.6 | 179.4 | 0 | 108.9 | ||||
| 26 | L | 27.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 134 Ų | 134 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | 66.3 | 83.5 | -179.1 | -55 | 170.8 | 0 | 0 | 0 | 115.8 | ||||
| 27 | L | 27.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | -167.1 | 100.6 | 106.7 | -130.2 | 72.7 | 0 | 0 | 0 | 111.5 | |||||
| 28 | E | 26.2 | Very low | 30.7 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -120.3 | 122.8 | 155.1 | -72.8 | -176.6 | 113.8 | 0 | 0 | 106.4 | ||||
| 29 | Q | 26.4 | Very low | 29.8 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -172.6 | 142.9 | 149.8 | -111.6 | 167.3 | -15.2 | 0 | 0 | 113.5 | ||||
| 30 | D | 27.9 | Very low | 29.2 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | 41 | 112.4 | 145.6 | -55.7 | -20.9 | 0 | 0 | 0 | 120.9 | ||||
| 31 | W | 24.7 | Very low | 28.6 | Very low | 255 Ų | 255 | 146.3 Ų | 146.3 | 97% | 0.966 | 85% | 0.846 | S | S | * | * | trans | -139.3 | 102.2 | 135.9 | -162.8 | -91.8 | 0 | 0 | 0 | 111.8 | ||||
| 32 | C | 26.5 | Very low | 28.3 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 75% | 0.75 | 85% | 0.848 | S | S | * | * | trans | -146.8 | 144.7 | 171.6 | -153.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 33 | L | 26 | Very low | 27.9 | Very low | 150 Ų | 150 | 155.2 Ų | 155.2 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | trans | 60.4 | 105.1 | 174.9 | -55.9 | 173 | 0 | 0 | 0 | 117.3 | ||||
| 34 | R | 29.4 | Very low | 27.6 | Very low | 246 Ų | 246 | 156 Ų | 156 | 93% | 0.928 | 86% | 0.86 | S | S | * | * | -173.9 | 128.1 | 102.9 | -95.8 | 159.4 | -167.6 | -163.8 | 3.4 | 111.3 | |||||
| 35 | A | 27.2 | Very low | 27.4 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | trans | -107.2 | 133.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 36 | S | 29.3 | Very low | 27 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 90% | 0.895 | 86% | 0.86 | S | S | * | * | trans | -102.4 | 132.3 | 177.7 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 37 | A | 26.4 | Very low | 26.9 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 85% | 0.851 | 86% | 0.855 | S | S | * | * | trans | -109.7 | 132.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | A | 28.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | trans | -177.7 | 114.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | G | 25 | Very low | 27.1 | Very low | 80 Ų | 80 | 149.8 Ų | 149.8 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -143.1 | 112.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | Q | 28.1 | Very low | 27.2 | Very low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | trans | -131.9 | 128.6 | 172.7 | -73.9 | -172.8 | -12.9 | 0 | 0 | 108.8 | ||||
| 41 | L | 29.3 | Very low | 27.3 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 96% | 0.963 | 85% | 0.85 | S | S | * | * | trans | -145.3 | 151.1 | 168.6 | -109.4 | 163 | 0 | 0 | 0 | 108.7 | ||||
| 42 | S | 27.9 | Very low | 27.6 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | -82.4 | 161.9 | -158.7 | -162.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 43 | R | 26.2 | Very low | 27.6 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -67.1 | 148.4 | 171.6 | -69.2 | 170.5 | 164.6 | 168.4 | -6.7 | 111.9 | ||||
| 44 | S | 26.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -149 | 171.1 | 134.5 | -163 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 45 | S | 26.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | trans | -143.5 | 146.6 | -159.1 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 46 | C | 23.7 | Very low | 27.8 | Very low | 121 Ų | 121 | 145 Ų | 145 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -163.2 | 168.6 | 131.9 | -139.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 47 | L | 26.6 | Very low | 27.9 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | trans | -54.5 | 163 | 172.4 | -58.5 | 164.3 | 0 | 0 | 0 | 112.8 | ||||
| 48 | T | 27.7 | Very low | 28.2 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | cis | -154.3 | -171.9 | 7 | -5.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 49 | Q | 29.1 | Very low | 28.2 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | cis | -151.7 | 175 | 9.8 | -146.5 | -179.8 | 20 | 0 | 0 | 110.8 | ||||
| 50 | S | 28.9 | Very low | 28.4 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | trans | -104.1 | 154.4 | -173.1 | -40.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 51 | R | 29.4 | Very low | 28.7 | Very low | 252 Ų | 252 | 149.3 Ų | 149.3 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | trans | -134.3 | 149.3 | 142 | -75.6 | -163.4 | 174.3 | -162.6 | -2.1 | 109.7 | ||||
| 52 | V | 30.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 62% | 0.624 | 82% | 0.817 | S | S | * | * | trans | -130.7 | 145.2 | -167.4 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 53 | L | 27.6 | Very low | 29.2 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -131.9 | 129.3 | 152.8 | -74.2 | 176.6 | 0 | 0 | 0 | 108.7 | ||||
| 54 | H | 27.8 | Very low | 29.4 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 153.8 | 171.5 | -82 | -101.3 | 0 | 0 | 0 | 110.3 | ||||
| 55 | I | 28.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 145 Ų | 145 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -147.5 | 155.5 | 136.3 | -119 | 166 | 0 | 0 | 0 | 109.3 | ||||
| 56 | S | 29.9 | Very low | 30.7 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -80 | 144.7 | -151.7 | -53.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 57 | T | 30.9 | Very low | 30.8 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -84 | 128.1 | 158.4 | -42.1 | 0 | 0 | 0 | 0 | 109.2 | L59 | T57-L59 HydrophobicContact CG2-CG 4.29Š| ||
| 58 | E | 32.3 | Very low | 31.5 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -110.1 | 139.8 | 157.6 | -68.7 | -154.7 | 156.9 | 0 | 0 | 110.1 | ||||
| 59 | L | 29.9 | Very low | 31.6 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -125.1 | 102.7 | -179.2 | -86.1 | 166.1 | 0 | 0 | 0 | 109 | T57 | T57-L59 HydrophobicContact CG2-CG 4.29Š| ||
| 60 | C | 29.4 | Very low | 32 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -99.7 | 120.4 | 163.9 | -81.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | S | 34.5 | Very low | 32.7 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -99.8 | 124.5 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 62 | V | 30.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 152.7 | 161.3 | -174.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 63 | K | 36.9 | Very low | 35.1 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | trans | -128.7 | 163.6 | -154.4 | -165.1 | -161.1 | 168 | -148.7 | 0 | 110.7 | ||||
| 64 | E | 29.5 | Very low | 37.4 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 100.9 | 93 | 154.4 | -56.4 | -156.4 | 171 | 0 | 0 | 120.6 | ||||
| 65 | T | 28.3 | Very low | 39.8 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | 69.5 | 166.2 | 124.8 | 12.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 66 | P | 51.1 | Low | 41.7 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | -125 | 149.2 | -122 | 38.5 | -21.4 | 0 | 0 | 0 | 115.1 | |||||
| 67 | Q | 26.1 | Very low | 43.6 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | trans | -152.2 | 156.5 | 156.7 | -120.3 | 162.5 | 15.7 | 0 | 0 | 114.2 | ||||
| 68 | H | 41.6 | Very low | 45.5 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -53.2 | 127.5 | -176.1 | -174.3 | -30.8 | 0 | 0 | 0 | 113.1 | ||||
| 69 | S | 29.5 | Very low | 47.3 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | -134.1 | 157.8 | 166.3 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 70 | Q | 37.6 | Very low | 49 | Very low | 173 Ų | 173 | 122 Ų | 122 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | trans | -77.1 | 162.6 | -180 | -66 | 163.6 | -57.1 | 0 | 0 | 110.8 | E72 | Q70-E72 VanDerWaalsContact C-N 3.25Å; Q70-E72 PolarHBondContact O-N 2.93Å | ||
| 71 | E | 44 | Very low | 50.6 | Low | 199 Ų | 199 | 120.6 Ų | 120.6 | 93% | 0.93 | 65% | 0.645 | S | S | * | * | trans | -66.9 | 83.7 | 169.9 | -69.8 | -173.3 | 120.8 | 0 | 0 | 110.7 | V73 | E71-V73 PolarHBondContact O-N 2.93Š| ||
| 72 | E | 51.5 | Low | 51.9 | Low | 152 Ų | 152 | 119.3 Ų | 119.3 | 71% | 0.71 | 64% | 0.642 | S | S | * | * | trans | -61.2 | 100.2 | 163.9 | -94.5 | -108 | 84.6 | 0 | 0 | 108.9 | Q70 G74 K78 | Q70-E72 VanDerWaalsContact C-N 3.25Å; Q70-E72 PolarHBondContact O-N 2.93Å; E72-G74 PolarHBondContact O-N 3.44Å; E72-K78 IonicContact OE1-NZ 2.63Å; E72-K78 PolarHBondContact OE1-NZ 3.49Å | ||
| 73 | V | 59 | Low | 53.6 | Low | 73 Ų | 73 | 118 Ų | 118 | 44% | 0.442 | 63% | 0.627 | S | S | . | * | trans | -52.3 | 115.7 | 172 | -139.8 | 0 | 0 | 0 | 0 | 107.8 | E71 T77 K78 | E71-V73 PolarHBondContact O-N 2.93Å; V73-T77 HydrophobicContact CG1-CG2 3.73Å; V73-K78 HydrophobicContact CB-CG 4.44Å; V73-K78 VanDerWaalsContact O-CD 3.29Å; V73-K78 WeakPolarHBondContact O-CD 3.36Å; V73-K78 WeakPolarHBondContact O-CE 3.41Å; V73-K78 PolarHBondContact O-NZ 2.75Å | ||
| 74 | G | 76.9 | Confident | 54.7 | Low | 39 Ų | 39 | 111.6 Ų | 111.6 | 40% | 0.402 | 61% | 0.607 | S | S | . | * | trans | -57 | 149.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E72 F76 T77 K78 | E72-G74 PolarHBondContact O-N 3.44Å; G74-F76 PolarHBondContact O-N 3.37Å; G74-T77 WeakPolarHBondContact O-CA 3.12Å; G74-T77 WeakPolarHBondContact O-CB 3.39Å; G74-T77 PolarHBondContact O-N 2.9Å; G74-K78 PolarHBondContact O-N 3.39Å | ||
| 75 | A | 76.9 | Confident | 56.1 | Low | 77 Ų | 77 | 112.6 Ų | 112.6 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.6 | -31.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L79 | A75-L79 WeakPolarHBondContact O-CB 3.28Å; A75-L79 PolarHBondContact O-N 3Å |
| 76 | F | 69.8 | Low | 57.7 | Low | 158 Ų | 158 | 110.3 Ų | 110.3 | 69% | 0.693 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.7 | -43.1 | 172.1 | -173.6 | -115.4 | 0 | 0 | 0 | 112.9 | G74 L79 I80 | G74-F76 PolarHBondContact O-N 3.37Å; F76-L79 WeakPolarHBondContact O-CB 3.22Å; F76-L79 PolarHBondContact O-N 3.46Å; F76-I80 HydrophobicContact CD1-CD1 3.74Å; F76-I80 HydrophobicContact CE1-CD1 3.46Å; F76-I80 VanDerWaalsContact CE1-CD1 3.46Å; F76-I80 HydrophobicContact CE2-CD1 4.28Å; F76-I80 HydrophobicContact CG-CD1 4.28Å; F76-I80 HydrophobicContact CZ-CD1 3.76Å; F76-I80 VanDerWaalsContact O-CG1 3.29Å; F76-I80 WeakPolarHBondContact O-CG1 3.4Å; F76-I80 PolarHBondContact O-N 3.02Å |
| 77 | T | 69.3 | Low | 58.5 | Low | 52 Ų | 52 | 107.2 Ų | 107.2 | 32% | 0.319 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -45.6 | 174.3 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | V73 G74 L79 I80 E81 | V73-T77 HydrophobicContact CG1-CG2 3.73Å; G74-T77 WeakPolarHBondContact O-CA 3.12Å; G74-T77 WeakPolarHBondContact O-CB 3.39Å; G74-T77 PolarHBondContact O-N 2.9Å; T77-L79 VanDerWaalsContact C-N 3.25Å; T77-L79 PolarHBondContact O-N 2.82Å; T77-I80 PolarHBondContact O-N 2.79Å; T77-E81 WeakPolarHBondContact O-CB 3.44Å; T77-E81 WeakPolarHBondContact O-CG 3.42Å; T77-E81 PolarHBondContact O-N 3.27Å |
| 78 | K | 70.6 | Confident | 60.9 | Low | 89 Ų | 89 | 103.6 Ų | 103.6 | 39% | 0.387 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.4 | -36.5 | 174.6 | -70.2 | 171.4 | 176.9 | 158.9 | 0 | 111.8 | E72 V73 G74 A82 | E72-K78 IonicContact OE1-NZ 2.63Å; E72-K78 PolarHBondContact OE1-NZ 3.49Å; V73-K78 HydrophobicContact CB-CG 4.44Å; V73-K78 VanDerWaalsContact O-CD 3.29Å; V73-K78 WeakPolarHBondContact O-CD 3.36Å; V73-K78 WeakPolarHBondContact O-CE 3.41Å; V73-K78 PolarHBondContact O-NZ 2.75Å; G74-K78 PolarHBondContact O-N 3.39Å; K78-A82 VanDerWaalsContact O-CB 3.29Å; K78-A82 WeakPolarHBondContact O-CB 3.47Å; K78-A82 PolarHBondContact O-N 3.24Å |
| 79 | L | 69.9 | Low | 62.9 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 172.1 | -102 | 164.4 | 0 | 0 | 0 | 113 | A75 F76 T77 E81 A82 M83 | A75-L79 WeakPolarHBondContact O-CB 3.28Å; A75-L79 PolarHBondContact O-N 3Å; F76-L79 WeakPolarHBondContact O-CB 3.22Å; F76-L79 PolarHBondContact O-N 3.46Å; T77-L79 VanDerWaalsContact C-N 3.25Å; T77-L79 PolarHBondContact O-N 2.82Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-A82 PolarHBondContact O-N 3.14Å; L79-M83 HydrophobicContact CB-CE 4.37Å; L79-M83 WeakPolarHBondContact O-CB 3.45Å; L79-M83 WeakPolarHBondContact O-CE 3.29Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 2.88Å |
| 80 | I | 65.8 | Low | 65.6 | Low | 40 Ų | 40 | 97.5 Ų | 97.5 | 21% | 0.205 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 177.3 | -70.8 | 169.8 | 0 | 0 | 0 | 111.3 | F76 T77 M83 G84 F85 T86 | F76-I80 HydrophobicContact CD1-CD1 3.74Å; F76-I80 HydrophobicContact CE1-CD1 3.46Å; F76-I80 VanDerWaalsContact CE1-CD1 3.46Å; F76-I80 HydrophobicContact CE2-CD1 4.28Å; F76-I80 HydrophobicContact CG-CD1 4.28Å; F76-I80 HydrophobicContact CZ-CD1 3.76Å; F76-I80 VanDerWaalsContact O-CG1 3.29Å; F76-I80 WeakPolarHBondContact O-CG1 3.4Å; F76-I80 PolarHBondContact O-N 3.02Å; T77-I80 PolarHBondContact O-N 2.79Å; I80-M83 HydrophobicContact CG1-CE 4.41Å; I80-M83 CarbonylContact O-C 3.48Å; I80-M83 PolarHBondContact O-N 2.96Å; I80-G84 PolarHBondContact O-N 3.35Å; I80-F85 HydrophobicContact CG2-CB 3.58Å; I80-F85 PolarHBondContact O-N 3.5Å; I80-T86 HydrophobicContact CG2-CG2 3.54Å |
| 81 | E | 64.4 | Low | 68.1 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | 172.8 | -73.9 | 170 | 169.8 | 0 | 0 | 111.5 | T77 L79 M83 G84 T86 | T77-E81 WeakPolarHBondContact O-CB 3.44Å; T77-E81 WeakPolarHBondContact O-CG 3.42Å; T77-E81 PolarHBondContact O-N 3.27Å; L79-E81 VanDerWaalsContact C-N 3.33Å; E81-M83 VanDerWaalsContact C-N 3.28Å; E81-M83 PolarHBondContact O-N 3.47Å; E81-G84 WeakPolarHBondContact O-CA 3.41Å; E81-G84 PolarHBondContact O-N 3.45Å; E81-T86 WeakPolarHBondContact CA-OG1 3.15Å; E81-T86 WeakPolarHBondContact CG-OG1 3.37Å |
| 82 | A | 61.1 | Low | 70.4 | Confident | 88 Ų | 88 | 86.4 Ų | 86.4 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -30.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K78 L79 G84 | K78-A82 VanDerWaalsContact O-CB 3.29Å; K78-A82 WeakPolarHBondContact O-CB 3.47Å; K78-A82 PolarHBondContact O-N 3.24Å; L79-A82 PolarHBondContact O-N 3.14Å; A82-G84 PolarHBondContact O-N 3.3Å |
| 83 | M | 66.8 | Low | 72.4 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6 | 169.9 | -69.5 | -174.1 | -71.7 | 0 | 0 | 113.6 | L79 I80 E81 F85 | L79-M83 HydrophobicContact CB-CE 4.37Å; L79-M83 WeakPolarHBondContact O-CB 3.45Å; L79-M83 WeakPolarHBondContact O-CE 3.29Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 2.88Å; I80-M83 HydrophobicContact CG1-CE 4.41Å; I80-M83 CarbonylContact O-C 3.48Å; I80-M83 PolarHBondContact O-N 2.96Å; E81-M83 VanDerWaalsContact C-N 3.28Å; E81-M83 PolarHBondContact O-N 3.47Å; M83-F85 HydrophobicContact CB-CD2 4.29Å; M83-F85 PolarHBondContact O-N 2.93Å; M83-F85 VanDerWaalsContact O-N 3.17Å |
| 84 | G | 59 | Low | 74.1 | Confident | 27 Ų | 27 | 90.1 Ų | 90.1 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 11.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I80 E81 A82 R149 | I80-G84 PolarHBondContact O-N 3.35Å; E81-G84 WeakPolarHBondContact O-CA 3.41Å; E81-G84 PolarHBondContact O-N 3.45Å; A82-G84 PolarHBondContact O-N 3.3Å; G84-R149 WeakPolarHBondContact O-CD 3.26Å; G84-R149 VanDerWaalsContact O-CZ 3.26Å; G84-R149 PolarHBondContact O-NE 2.86Å; G84-R149 PolarHBondContact O-NH2 3.43Å |
| 85 | F | 59.8 | Low | 75 | Confident | 160 Ų | 160 | 94.1 Ų | 94.1 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -73.6 | -35.2 | -172.3 | -106.2 | -98.7 | 0 | 0 | 0 | 113 | I80 M83 R149 | I80-F85 HydrophobicContact CG2-CB 3.58Å; I80-F85 PolarHBondContact O-N 3.5Å; M83-F85 HydrophobicContact CB-CD2 4.29Å; M83-F85 PolarHBondContact O-N 2.93Å; M83-F85 VanDerWaalsContact O-N 3.17Å; F85-R149 PolarHBondContact O-NH2 2.83Å |
| 86 | T | 60.8 | Low | 75.9 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 47% | 0.466 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -96.5 | -16 | -173.7 | 32.7 | 0 | 0 | 0 | 0 | 115.5 | I80 E81 | I80-T86 HydrophobicContact CG2-CG2 3.54Å; E81-T86 WeakPolarHBondContact CA-OG1 3.15Å; E81-T86 WeakPolarHBondContact CG-OG1 3.37Å |
| 87 | A | 67.9 | Low | 77.3 | Confident | 48 Ų | 48 | 86.4 Ų | 86.4 | 40% | 0.397 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -53.6 | 146.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R149 | A87-R149 VanDerWaalsContact O-CZ 3.26Å; A87-R149 PolarHBondContact O-NH1 3.32Å; A87-R149 PolarHBondContact O-NH2 3.36Å |
| 88 | P | 77.1 | Confident | 78.6 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 76% | 0.76 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 157.6 | 171.5 | 25.8 | -34.1 | 0 | 0 | 0 | 110.9 | R149 | P88-R149 PolarHBondContact O-NH1 3.13Š|
| 89 | L | 83.4 | Confident | 80 | Confident | 37 Ų | 37 | 83 Ų | 83 | 19% | 0.194 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 143.5 | 171 | -65.3 | 180 | 0 | 0 | 0 | 109.5 | Y91 K93 I96 R149 E150 F153 | L89-Y91 WeakPolarHBondContact CB-O 3.43Å; L89-Y91 PolarHBondContact O-N 2.93Å; L89-K93 HydrophobicContact CD1-CG 3.8Å; L89-I96 HydrophobicContact CD1-CD1 3.96Å; L89-R149 HydrophobicContact CD2-CB 3.89Å; L89-E150 WeakPolarHBondContact CA-OE1 3.31Å; L89-E150 HydrophobicContact CB-CG 4.35Å; L89-E150 WeakPolarHBondContact CB-OE1 3.3Å; L89-E150 HydrophobicContact CD2-CG 4.35Å; L89-E150 WeakPolarHBondContact CD2-OE1 3.34Å; L89-F153 HydrophobicContact CD1-CB 4.17Å; L89-F153 HydrophobicContact CD1-CD1 4.12Å; L89-F153 HydrophobicContact CD1-CD2 4.44Å; L89-F153 HydrophobicContact CD1-CG 3.98Å |
| 90 | K | 86.7 | Confident | 81.3 | Confident | 121 Ų | 121 | 78 Ų | 78 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -54.1 | -33.9 | 177.2 | -174.7 | -178.2 | 176.2 | -166.4 | 0 | 112.5 | E150 E248 | K90-E150 HydrophobicContact CB-CG 4.09Å; K90-E150 PolarHBondContact N-OE1 2.83Å; K90-E248 IonicContact NZ-OE1 3.07Å; K90-E248 PolarHBondContact NZ-OE1 3.39Å; K90-E248 IonicContact NZ-OE2 3.17Å; K90-E248 PolarHBondContact NZ-OE2 3.06Å |
| 91 | Y | 89.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 80 Ų | 80 | 13% | 0.125 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -120.5 | 150.7 | 175.7 | -44.6 | -73.8 | 0 | 0 | 0 | 111.7 | L89 K93 E150 E248 L251 L252 | L89-Y91 WeakPolarHBondContact CB-O 3.43Å; L89-Y91 PolarHBondContact O-N 2.93Å; Y91-K93 PolarHBondContact O-N 3.2Å; Y91-E150 HydrophobicContact CD2-CG 4.1Å; Y91-E248 WeakPolarHBondContact OH-CB 3.47Å; Y91-E248 WeakPolarHBondContact OH-CG 3.29Å; Y91-E248 PolarHBondContact OH-OE2 3.43Å; Y91-L251 HydrophobicContact CD2-CB 4.22Å; Y91-L251 HydrophobicContact CD2-CD1 4.07Å; Y91-L251 HydrophobicContact CE2-CB 4.04Å; Y91-L251 HydrophobicContact CE2-CD1 3.63Å; Y91-L252 HydrophobicContact CD1-CD2 3.71Å; Y91-L252 HydrophobicContact CD1-CG 4.39Å; Y91-L252 HydrophobicContact CE1-CD1 4.13Å; Y91-L252 HydrophobicContact CE1-CD2 4.05Å; Y91-L252 HydrophobicContact CE1-CG 4.26Å; Y91-L252 HydrophobicContact CG-CD2 4.06Å |
| 92 | N | 92.8 | Very high | 84.5 | Confident | 108 Ų | 108 | 81.3 Ų | 81.3 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | trans | -59.1 | 128.6 | 177.2 | -178.2 | -31.1 | 0 | 0 | 0 | 110.9 | W94 K95 I96 | N92-W94 PolarHBondContact O-N 3.23Å; N92-W94 WeakPolarHBondContact OD1-CB 3.45Å; N92-W94 PolarHBondContact OD1-N 2.92Å; N92-K95 WeakPolarHBondContact O-CB 3.33Å; N92-K95 PolarHBondContact O-N 3.49Å; N92-I96 PolarHBondContact O-N 2.97Å | ||
| 93 | K | 93.4 | Very high | 86.3 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -46.9 | -34.8 | 177.8 | -71 | 176.5 | -179.5 | 173.9 | 0 | 113.8 | L89 Y91 K97 F153 | L89-K93 HydrophobicContact CD1-CG 3.8Å; Y91-K93 PolarHBondContact O-N 3.2Å; K93-K97 WeakPolarHBondContact O-CG 3.48Å; K93-K97 PolarHBondContact O-N 3.44Å; K93-F153 HydrophobicContact CB-CE1 3.84Å; K93-F153 HydrophobicContact CB-CZ 3.84Å; K93-F153 HydrophobicContact CD-CE2 4.32Å; K93-F153 HydrophobicContact CD-CZ 4.08Å; K93-F153 HydrophobicContact CG-CE1 3.92Å; K93-F153 HydrophobicContact CG-CE2 4.32Å; K93-F153 HydrophobicContact CG-CZ 3.78Å |
| 94 | W | 94.4 | Very high | 87.8 | Confident | 176 Ų | 176 | 71.9 Ų | 71.9 | 67% | 0.667 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.9 | -39.5 | 177.2 | -177.2 | -102.1 | 0 | 0 | 0 | 113 | N92 K97 I98 | N92-W94 PolarHBondContact O-N 3.23Å; N92-W94 WeakPolarHBondContact OD1-CB 3.45Å; N92-W94 PolarHBondContact OD1-N 2.92Å; W94-K97 PolarHBondContact O-N 3.46Å; W94-I98 HydrophobicContact CZ2-CD1 4.49Å; W94-I98 PolarHBondContact O-N 3.24Å; W94-I98 VanDerWaalsContact O-N 3.09Å |
| 95 | K | 95.1 | Very high | 89.7 | Confident | 123 Ų | 123 | 72.7 Ų | 72.7 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 173.4 | -70 | -170.6 | 173.3 | -171.2 | 0 | 110.6 | N92 K97 I98 A99 L252 | N92-K95 WeakPolarHBondContact O-CB 3.33Å; N92-K95 PolarHBondContact O-N 3.49Å; K95-K97 VanDerWaalsContact C-N 3.27Å; K95-K97 PolarHBondContact O-N 2.94Å; K95-I98 PolarHBondContact O-N 3.24Å; K95-I98 VanDerWaalsContact O-N 3.09Å; K95-A99 PolarHBondContact O-N 2.97Å; K95-L252 HydrophobicContact CD-CD2 4.36Å |
| 96 | I | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 179.1 | -54.3 | 172.4 | 0 | 0 | 0 | 110.9 | L89 N92 A100 E150 F153 M154 | L89-I96 HydrophobicContact CD1-CD1 3.96Å; N92-I96 PolarHBondContact O-N 2.97Å; I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.03Å; I96-E150 HydrophobicContact CD1-CB 4.16Å; I96-E150 HydrophobicContact CD1-CG 4.24Å; I96-F153 HydrophobicContact CB-CD1 4.04Å; I96-F153 HydrophobicContact CB-CE1 4.32Å; I96-F153 HydrophobicContact CD1-CD1 4.24Å; I96-F153 HydrophobicContact CG2-CD1 3.79Å; I96-F153 HydrophobicContact CG2-CE1 4.44Å; I96-M154 HydrophobicContact CG2-CB 3.68Å; I96-M154 HydrophobicContact CG2-CE 3.98Å |
| 97 | K | 97.7 | Very high | 93.2 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 32% | 0.317 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 172.6 | -81.1 | -171.2 | 169.9 | -164 | 0 | 113.4 | K93 W94 K95 A100 L101 F153 Y157 | K93-K97 WeakPolarHBondContact O-CG 3.48Å; K93-K97 PolarHBondContact O-N 3.44Å; W94-K97 PolarHBondContact O-N 3.46Å; K95-K97 VanDerWaalsContact C-N 3.27Å; K95-K97 PolarHBondContact O-N 2.94Å; K97-A100 PolarHBondContact O-N 3.33Å; K97-L101 WeakPolarHBondContact O-CB 3.36Å; K97-L101 PolarHBondContact O-N 3.07Å; K97-F153 HydrophobicContact CG-CE1 4.36Å; K97-Y157 HydrophobicContact CB-CD1 4.01Å; K97-Y157 HydrophobicContact CB-CE1 3.8Å; K97-Y157 HydrophobicContact CB-CG 4.5Å; K97-Y157 HydrophobicContact CD-CD2 4.19Å; K97-Y157 HydrophobicContact CD-CE1 4.29Å; K97-Y157 HydrophobicContact CD-CE2 3.81Å; K97-Y157 HydrophobicContact CG-CD1 3.94Å; K97-Y157 HydrophobicContact CG-CD2 3.95Å; K97-Y157 HydrophobicContact CG-CE1 3.91Å; K97-Y157 HydrophobicContact CG-CE2 4Å; K97-Y157 HydrophobicContact CG-CG 3.93Å; K97-Y157 WeakPolarHBondContact O-CD1 3.43Å; K97-Y157 WeakPolarHBondContact O-CE1 3.4Å |
| 98 | I | 98 | Very high | 94.6 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 35% | 0.349 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177 | -71.9 | 171.6 | 0 | 0 | 0 | 110.7 | W94 K95 L101 R102 | W94-I98 HydrophobicContact CZ2-CD1 4.49Å; W94-I98 PolarHBondContact O-N 3.24Å; W94-I98 VanDerWaalsContact O-N 3.09Å; K95-I98 PolarHBondContact O-N 3.24Å; K95-I98 VanDerWaalsContact O-N 3.09Å; I98-L101 PolarHBondContact O-N 3.37Å; I98-R102 WeakPolarHBondContact O-CG 3.34Å; I98-R102 PolarHBondContact O-N 2.86Å |
| 99 | A | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K95 L101 R102 M103 M154 G254 | K95-A99 PolarHBondContact O-N 2.97Å; A99-L101 PolarHBondContact O-N 3.38Å; A99-R102 PolarHBondContact O-N 3.1Å; A99-M103 WeakPolarHBondContact O-CB 3.29Å; A99-M103 PolarHBondContact O-N 2.97Å; A99-M154 HydrophobicContact CB-CE 3.44Å; A99-M154 VanDerWaalsContact CB-CE 3.44Å; A99-G254 VanDerWaalsContact O-CA 3.26Å; A99-G254 WeakPolarHBondContact O-CA 3.32Å |
| 100 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I96 K97 M103 Y104 M154 Y157 I158 | I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.03Å; K97-A100 PolarHBondContact O-N 3.33Å; A100-M103 PolarHBondContact O-N 2.92Å; A100-Y104 PolarHBondContact O-N 3.28Å; A100-M154 HydrophobicContact CB-CE 4.48Å; A100-M154 HydrophobicContact CB-CG 3.88Å; A100-Y157 HydrophobicContact CB-CD1 3.74Å; A100-Y157 HydrophobicContact CB-CG 4.29Å; A100-I158 HydrophobicContact CB-CG1 3.98Å |
| 101 | L | 98.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 60 Ų | 60 | 42% | 0.419 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.8 | -179.5 | 60.6 | 0 | 0 | 0 | 111.5 | K97 I98 A99 M103 Y104 T105 Y157 | K97-L101 WeakPolarHBondContact O-CB 3.36Å; K97-L101 PolarHBondContact O-N 3.07Å; I98-L101 PolarHBondContact O-N 3.37Å; A99-L101 PolarHBondContact O-N 3.38Å; L101-M103 PolarHBondContact O-N 3.32Å; L101-Y104 WeakPolarHBondContact O-CB 3.27Å; L101-Y104 PolarHBondContact O-N 3.02Å; L101-T105 PolarHBondContact O-N 3.03Å; L101-T105 PolarHBondContact O-OG1 3.4Å; L101-T105 VanDerWaalsContact O-OG1 3.06Å; L101-Y157 HydrophobicContact CB-CE1 4.45Å |
| 102 | R | 98.6 | Very high | 96.5 | Very high | 127 Ų | 127 | 62.7 Ų | 62.7 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.9 | -73 | 169.7 | 174.3 | -177.6 | -3.8 | 112.7 | I98 A99 Y104 T105 C106 T253 G254 | I98-R102 WeakPolarHBondContact O-CG 3.34Å; I98-R102 PolarHBondContact O-N 2.86Å; A99-R102 PolarHBondContact O-N 3.1Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-T105 WeakPolarHBondContact O-CB 3.23Å; R102-T105 PolarHBondContact O-N 3.36Å; R102-C106 PolarHBondContact O-N 2.76Å; R102-C106 PolarHBondContact O-SG 3.37Å; R102-T253 WeakPolarHBondContact CD-O 3.16Å; R102-T253 PolarHBondContact NH1-O 3.42Å; R102-T253 VanDerWaalsContact NH1-O 3.14Å; R102-G254 CarbonylContact C-O 3.56Å |
| 103 | M | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.5 | -173 | 174.2 | -77.3 | 0 | 0 | 110.7 | A99 A100 L101 C106 C107 C140 M144 M154 I158 L250 G254 V256 | A99-M103 WeakPolarHBondContact O-CB 3.29Å; A99-M103 PolarHBondContact O-N 2.97Å; A100-M103 PolarHBondContact O-N 2.92Å; L101-M103 PolarHBondContact O-N 3.32Å; M103-C106 WeakPolarHBondContact O-CB 3.39Å; M103-C106 PolarHBondContact O-N 3.48Å; M103-C107 PolarHBondContact O-N 3.37Å; M103-C107 PolarHBondContact O-SG 3.36Å; M103-C140 HydrophobicContact CG-CB 4.07Å; M103-C140 HydrophobicContact SD-CB 3.78Å; M103-M144 HydrophobicContact CE-CG 3.89Å; M103-M144 HydrophobicContact CE-SD 3.8Å; M103-M144 HydrophobicContact SD-CG 3.75Å; M103-M144 HydrophobicContact SD-SD 4.45Å; M103-M154 HydrophobicContact CE-SD 3.94Å; M103-M154 HydrophobicContact SD-SD 4.02Å; M103-I158 HydrophobicContact CB-CD1 4.34Å; M103-I158 HydrophobicContact CG-CD1 4.09Å; M103-I158 HydrophobicContact SD-CD1 3.48Å; M103-I158 WeakPolarHBondContact SD-CD1 3.47Å; M103-L250 HydrophobicContact CE-CB 4.11Å; M103-L250 HydrophobicContact CE-CD2 3.92Å; M103-L250 HydrophobicContact CE-CG 4.41Å; M103-G254 WeakPolarHBondContact CA-O 3.49Å; M103-G254 WeakPolarHBondContact CB-O 3.39Å; M103-G254 PolarHBondContact N-O 3.43Å; M103-G254 VanDerWaalsContact N-O 3.12Å; M103-V256 HydrophobicContact CE-CG2 3.88Å; M103-V256 HydrophobicContact CG-CG2 3.89Å; M103-V256 HydrophobicContact SD-CG2 4.43Å |
| 104 | Y | 98.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 170.6 | -179.8 | -108.1 | 0 | 0 | 0 | 112.4 | A100 L101 R102 C106 C107 V108 V137 I158 M162 D165 | A100-Y104 PolarHBondContact O-N 3.28Å; L101-Y104 WeakPolarHBondContact O-CB 3.27Å; L101-Y104 PolarHBondContact O-N 3.02Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; Y104-C106 VanDerWaalsContact C-N 3.25Å; Y104-C106 PolarHBondContact O-N 2.88Å; Y104-C107 WeakPolarHBondContact O-CA 3.29Å; Y104-C107 VanDerWaalsContact O-CB 3.27Å; Y104-C107 WeakPolarHBondContact O-CB 3.5Å; Y104-C107 PolarHBondContact O-N 3.49Å; Y104-V108 HydrophobicContact CD1-CG2 4.38Å; Y104-V108 HydrophobicContact CE1-CG1 4.33Å; Y104-V108 HydrophobicContact CE1-CG2 3.86Å; Y104-V108 HydrophobicContact CE2-CG1 3.69Å; Y104-V108 PolarHBondContact O-N 3.48Å; Y104-V108 WeakPolarHBondContact OH-CG1 3.44Å; Y104-V137 HydrophobicContact CD2-CG2 3.86Å; Y104-V137 HydrophobicContact CE2-CG2 4Å; Y104-I158 HydrophobicContact CD2-CG2 4.47Å; Y104-M162 HydrophobicContact CD2-CB 4.07Å; Y104-M162 VanDerWaalsContact CE2-CA 3.49Å; Y104-M162 HydrophobicContact CE2-CB 3.56Å; Y104-M162 HydrophobicContact CE2-CG 3.82Å; Y104-D165 HydrophobicContact CE1-CB 3.91Å; Y104-D165 WeakPolarHBondContact OH-CB 3.35Å; Y104-D165 PolarHBondContact OH-OD2 3.49Å |
| 105 | T | 98.1 | Very high | 96.6 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.8 | -39.7 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | L101 R102 C107 V108 E109 | L101-T105 PolarHBondContact O-N 3.03Å; L101-T105 PolarHBondContact O-OG1 3.4Å; L101-T105 VanDerWaalsContact O-OG1 3.06Å; R102-T105 WeakPolarHBondContact O-CB 3.23Å; R102-T105 PolarHBondContact O-N 3.36Å; T105-C107 VanDerWaalsContact C-N 3.29Å; T105-C107 PolarHBondContact O-N 3.14Å; T105-V108 PolarHBondContact O-N 3.06Å; T105-V108 VanDerWaalsContact O-N 3.15Å; T105-E109 HydrophobicContact CG2-CB 4.17Å; T105-E109 HydrophobicContact CG2-CG 3.95Å; T105-E109 VanDerWaalsContact CG2-OE2 3.26Å; T105-E109 WeakPolarHBondContact CG2-OE2 3.39Å; T105-E109 WeakPolarHBondContact O-CB 3.24Å; T105-E109 PolarHBondContact O-N 3.42Å |
| 106 | C | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -35.1 | 174 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | R102 M103 Y104 V108 R110 V256 W258 | R102-C106 PolarHBondContact O-N 2.76Å; R102-C106 PolarHBondContact O-SG 3.37Å; M103-C106 WeakPolarHBondContact O-CB 3.39Å; M103-C106 PolarHBondContact O-N 3.48Å; Y104-C106 VanDerWaalsContact C-N 3.25Å; Y104-C106 PolarHBondContact O-N 2.88Å; C106-V108 VanDerWaalsContact C-N 3.32Å; C106-V108 PolarHBondContact O-N 2.86Å; C106-R110 WeakPolarHBondContact O-CB 3.45Å; C106-V256 HydrophobicContact CB-CB 4.14Å; C106-V256 PolarHBondContact SG-O 3.38Å; C106-W258 PolarHBondContact O-NE1 3.44Å |
| 107 | C | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -26.1 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | M103 Y104 T105 I111 Y113 H136 V137 | M103-C107 PolarHBondContact O-N 3.37Å; M103-C107 PolarHBondContact O-SG 3.36Å; Y104-C107 WeakPolarHBondContact O-CA 3.29Å; Y104-C107 VanDerWaalsContact O-CB 3.27Å; Y104-C107 WeakPolarHBondContact O-CB 3.5Å; Y104-C107 PolarHBondContact O-N 3.49Å; T105-C107 VanDerWaalsContact C-N 3.29Å; T105-C107 PolarHBondContact O-N 3.14Å; C107-I111 WeakPolarHBondContact O-CG1 3.45Å; C107-Y113 PolarHBondContact O-OH 2.82Å; C107-H136 HydrophobicContact CB-CB 3.89Å; C107-V137 HydrophobicContact CB-CG2 4.05Å |
| 108 | V | 96.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -121.1 | -12 | -169.2 | -55.2 | 0 | 0 | 0 | 0 | 116.7 | Y104 T105 C106 W129 A133 | Y104-V108 HydrophobicContact CD1-CG2 4.38Å; Y104-V108 HydrophobicContact CE1-CG1 4.33Å; Y104-V108 HydrophobicContact CE1-CG2 3.86Å; Y104-V108 HydrophobicContact CE2-CG1 3.69Å; Y104-V108 PolarHBondContact O-N 3.48Å; Y104-V108 WeakPolarHBondContact OH-CG1 3.44Å; T105-V108 PolarHBondContact O-N 3.06Å; T105-V108 VanDerWaalsContact O-N 3.15Å; C106-V108 VanDerWaalsContact C-N 3.32Å; C106-V108 PolarHBondContact O-N 2.86Å; V108-W129 HydrophobicContact CB-CZ2 4.13Å; V108-W129 HydrophobicContact CG1-CZ2 3.83Å; V108-A133 HydrophobicContact CG1-CB 3.98Å |
| 109 | E | 93.9 | Very high | 96.4 | Very high | 149 Ų | 149 | 46.4 Ų | 46.4 | 70% | 0.696 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -116.4 | -19.8 | 174.7 | -61.6 | -170.1 | 168.9 | 0 | 0 | 113.6 | T105 | T105-E109 HydrophobicContact CG2-CB 4.17Å; T105-E109 HydrophobicContact CG2-CG 3.95Å; T105-E109 VanDerWaalsContact CG2-OE2 3.26Å; T105-E109 WeakPolarHBondContact CG2-OE2 3.39Å; T105-E109 WeakPolarHBondContact O-CB 3.24Å; T105-E109 PolarHBondContact O-N 3.42Å |
| 110 | R | 92.9 | Very high | 96.3 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -107.1 | 21.6 | -178.2 | -54.7 | -174.7 | -177.3 | -174.3 | 1.9 | 114 | C106 E255 V256 | C106-R110 WeakPolarHBondContact O-CB 3.45Å; R110-E255 IonicContact CZ-OE1 2.81Å; R110-E255 VanDerWaalsContact CZ-OE1 3.31Å; R110-E255 IonicContact CZ-OE2 2.64Å; R110-E255 IonicContact NH1-OE1 3.83Å; R110-E255 PolarHBondContact NH1-OE1 2.81Å; R110-E255 IonicContact NH1-OE2 2.68Å; R110-E255 PolarHBondContact NH1-OE2 2.69Å; R110-E255 VanDerWaalsContact NH2-CD 3.3Å; R110-E255 IonicContact NH2-OE1 3.57Å; R110-E255 PolarHBondContact NH2-OE1 3.34Å; R110-E255 IonicContact NH2-OE2 3.53Å; R110-E255 PolarHBondContact NH2-OE2 3.34Å; R110-V256 PolarHBondContact NH1-O 3.02Å |
| 111 | I | 94.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -114.9 | 135 | 176.6 | -68.9 | -59.8 | 0 | 0 | 0 | 109.4 | C107 Y113 F116 V132 H136 W258 | C107-I111 WeakPolarHBondContact O-CG1 3.45Å; I111-Y113 HydrophobicContact CB-CD2 4.01Å; I111-Y113 HydrophobicContact CB-CE2 3.67Å; I111-Y113 HydrophobicContact CG2-CD2 3.88Å; I111-Y113 HydrophobicContact CG2-CE2 3.81Å; I111-Y113 HydrophobicContact CG2-CG 4.23Å; I111-Y113 VanDerWaalsContact O-CD2 3.29Å; I111-Y113 WeakPolarHBondContact O-CD2 3.49Å; I111-Y113 PolarHBondContact O-N 3.45Å; I111-F116 HydrophobicContact CG2-CD2 3.93Å; I111-F116 HydrophobicContact CG2-CE2 3.69Å; I111-V132 HydrophobicContact CG2-CG1 4.08Å; I111-H136 VanDerWaalsContact CD1-CD2 3.42Å; I111-H136 WeakPolarHBondContact CD1-CD2 3.3Å; I111-H136 VanDerWaalsContact CD1-NE2 3.32Å; I111-H136 WeakPolarHBondContact CD1-NE2 3.38Å; I111-W258 HydrophobicContact CD1-CB 3.7Å; I111-W258 HydrophobicContact CD1-CD2 3.82Å; I111-W258 HydrophobicContact CD1-CG 3.33Å; I111-W258 HydrophobicContact CG1-CG 4.39Å |
| 112 | N | 94.2 | Very high | 96 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | trans | -78.8 | 69.2 | 176.2 | -168.4 | 7.9 | 0 | 0 | 0 | 111.2 | D114 E115 F116 | N112-D114 PolarHBondContact O-N 3.32Å; N112-E115 HydrophobicContact CB-CB 4.13Å; N112-E115 VanDerWaalsContact ND2-CB 3.31Å; N112-E115 WeakPolarHBondContact ND2-CB 3.07Å; N112-E115 PolarHBondContact ND2-OE2 3.48Å; N112-E115 WeakPolarHBondContact O-CB 3.2Å; N112-E115 PolarHBondContact O-N 3.37Å; N112-F116 WeakPolarHBondContact O-CD2 3.42Å; N112-F116 PolarHBondContact O-N 3.1Å | ||
| 113 | Y | 94.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 9% | 0.09 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53 | -28.8 | -178.3 | -77.2 | -88.8 | 0 | 0 | 0 | 113.7 | C107 I111 E115 F116 F117 W129 V132 A133 | C107-Y113 PolarHBondContact O-OH 2.82Å; I111-Y113 HydrophobicContact CB-CD2 4.01Å; I111-Y113 HydrophobicContact CB-CE2 3.67Å; I111-Y113 HydrophobicContact CG2-CD2 3.88Å; I111-Y113 HydrophobicContact CG2-CE2 3.81Å; I111-Y113 HydrophobicContact CG2-CG 4.23Å; I111-Y113 VanDerWaalsContact O-CD2 3.29Å; I111-Y113 WeakPolarHBondContact O-CD2 3.49Å; I111-Y113 PolarHBondContact O-N 3.45Å; Y113-E115 VanDerWaalsContact C-N 3.35Å; Y113-F116 PolarHBondContact O-N 3.42Å; Y113-F117 HydrophobicContact CD1-CE1 4.23Å; Y113-F117 WeakPolarHBondContact O-CD1 3.49Å; Y113-F117 WeakPolarHBondContact O-CG 3.06Å; Y113-F117 PolarHBondContact O-N 2.74Å; Y113-W129 AromaticContact CD1-CD1 3.56Å; Y113-W129 HydrophobicContact CD1-CG 4.45Å; Y113-W129 AromaticContact CE1-CD1 3.18Å; Y113-W129 HydrophobicContact CE1-CG 4.08Å; Y113-W129 AromaticContact CE1-NE1 3.62Å; Y113-W129 AromaticContact CE2-NE1 3.98Å; Y113-W129 AromaticContact CZ-CD1 3.54Å; Y113-W129 AromaticContact CZ-NE1 3.45Å; Y113-V132 HydrophobicContact CD1-CB 3.95Å; Y113-V132 HydrophobicContact CD1-CG1 3.72Å; Y113-V132 HydrophobicContact CE1-CB 3.66Å; Y113-V132 HydrophobicContact CE1-CG1 3.47Å; Y113-V132 VanDerWaalsContact CE1-CG1 3.47Å; Y113-A133 WeakPolarHBondContact OH-CA 3.09Å; Y113-A133 WeakPolarHBondContact OH-CB 3.38Å |
| 114 | D | 93.8 | Very high | 95.5 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.1 | -34.6 | 178.9 | -81.3 | 19.4 | 0 | 0 | 0 | 112.1 | R3 N112 D118 | R3-D114 IonicContact CZ-OD1 3.31Å; R3-D114 IonicContact CZ-OD2 3.43Å; R3-D114 IonicContact NE-OD1 2.81Å; R3-D114 PolarHBondContact NE-OD1 2.97Å; R3-D114 VanDerWaalsContact NE-OD1 3.07Å; R3-D114 IonicContact NE-OD2 3.51Å; R3-D114 IonicContact NH1-OD1 2.68Å; R3-D114 PolarHBondContact NH1-OD1 3.11Å; R3-D114 IonicContact NH1-OD2 3.53Å; R3-D114 PolarHBondContact NH1-OD2 2.94Å; R3-D114 IonicContact NH2-OD1 2.8Å; N112-D114 PolarHBondContact O-N 3.32Å; D114-D118 WeakPolarHBondContact O-CB 3.5Å; D114-D118 PolarHBondContact O-N 2.71Å; D114-D118 VanDerWaalsContact O-N 3.13Å |
| 115 | E | 95.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.5 | -40.2 | 174.4 | -176.2 | -174.4 | 175.2 | 0 | 0 | 112 | N112 Y113 F117 D118 K119 L261 V262 | N112-E115 HydrophobicContact CB-CB 4.13Å; N112-E115 VanDerWaalsContact ND2-CB 3.31Å; N112-E115 WeakPolarHBondContact ND2-CB 3.07Å; N112-E115 PolarHBondContact ND2-OE2 3.48Å; N112-E115 WeakPolarHBondContact O-CB 3.2Å; N112-E115 PolarHBondContact O-N 3.37Å; Y113-E115 VanDerWaalsContact C-N 3.35Å; E115-F117 VanDerWaalsContact C-N 3.33Å; E115-F117 PolarHBondContact O-N 3.1Å; E115-D118 PolarHBondContact O-N 2.64Å; E115-K119 HydrophobicContact CG-CG 4.22Å; E115-K119 WeakPolarHBondContact O-CB 3.23Å; E115-K119 WeakPolarHBondContact O-CG 3.42Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-L261 HydrophobicContact CG-CB 4.26Å; E115-L261 HydrophobicContact CG-CD2 4.31Å; E115-V262 PolarHBondContact OE1-N 2.84Å; E115-V262 VanDerWaalsContact OE1-N 3.13Å |
| 116 | F | 96.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 171.8 | -81.9 | -95.9 | 0 | 0 | 0 | 111.9 | I111 N112 Y113 D118 C120 V132 H136 M231 Y234 L261 | I111-F116 HydrophobicContact CG2-CD2 3.93Å; I111-F116 HydrophobicContact CG2-CE2 3.69Å; N112-F116 WeakPolarHBondContact O-CD2 3.42Å; N112-F116 PolarHBondContact O-N 3.1Å; Y113-F116 PolarHBondContact O-N 3.42Å; F116-D118 VanDerWaalsContact C-N 3.34Å; F116-C120 VanDerWaalsContact O-CB 3.24Å; F116-C120 WeakPolarHBondContact O-CB 3.45Å; F116-C120 PolarHBondContact O-N 2.81Å; F116-V132 HydrophobicContact CB-CG1 4.34Å; F116-V132 HydrophobicContact CB-CG2 3.98Å; F116-V132 HydrophobicContact CD1-CG1 3.9Å; F116-V132 HydrophobicContact CD1-CG2 3.99Å; F116-V132 HydrophobicContact CD2-CG1 4.2Å; F116-V132 HydrophobicContact CE1-CG1 4.21Å; F116-V132 HydrophobicContact CG-CG1 3.88Å; F116-V132 HydrophobicContact CG-CG2 4.17Å; F116-V132 HydrophobicContact CZ-CG1 4.5Å; F116-H136 AromaticContact CE1-CE1 3.99Å; F116-H136 AromaticContact CZ-CE1 3.54Å; F116-H136 AromaticContact CZ-NE2 3.73Å; F116-M231 HydrophobicContact CD1-SD 4.19Å; F116-M231 HydrophobicContact CE1-CE 4.07Å; F116-M231 HydrophobicContact CE1-SD 3.94Å; F116-Y234 HydrophobicContact CE1-CD1 4.46Å; F116-Y234 HydrophobicContact CE1-CE1 4.17Å; F116-Y234 HydrophobicContact CZ-CD1 4.31Å; F116-Y234 AromaticContact CZ-CE1 3.68Å; F116-Y234 HydrophobicContact CZ-CE1 3.68Å; F116-Y234 HydrophobicContact CZ-CE2 4.2Å; F116-Y234 AromaticContact CZ-CZ 3.62Å; F116-L261 HydrophobicContact CB-CD2 4.43Å; F116-L261 HydrophobicContact CD1-CD2 3.93Å; F116-L261 HydrophobicContact CD2-CD2 4.07Å; F116-L261 HydrophobicContact CE1-CD1 4.04Å; F116-L261 HydrophobicContact CE1-CD2 4.17Å; F116-L261 HydrophobicContact CE2-CB 4.15Å; F116-L261 HydrophobicContact CE2-CD2 4.29Å; F116-L261 HydrophobicContact CG-CD2 3.89Å; F116-L261 HydrophobicContact CZ-CB 4.34Å; F116-L261 HydrophobicContact CZ-CD1 4.12Å; F116-L261 HydrophobicContact CZ-CD2 4.34Å |
| 117 | F | 95.6 | Very high | 95 | Very high | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.044 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -32.2 | -179.3 | -73.1 | 21.1 | 0 | 0 | 0 | 111.9 | R3 Y113 E115 S121 L122 D124 W129 V132 | R3-F117 VanDerWaalsContact NH2-CB 3.29Å; Y113-F117 HydrophobicContact CD1-CE1 4.23Å; Y113-F117 WeakPolarHBondContact O-CD1 3.49Å; Y113-F117 WeakPolarHBondContact O-CG 3.06Å; Y113-F117 PolarHBondContact O-N 2.74Å; E115-F117 VanDerWaalsContact C-N 3.33Å; E115-F117 PolarHBondContact O-N 3.1Å; F117-S121 CarbonylContact O-C 3.5Å; F117-S121 VanDerWaalsContact O-CA 3.28Å; F117-S121 WeakPolarHBondContact O-CA 3.33Å; F117-S121 PolarHBondContact O-N 3.38Å; F117-L122 HydrophobicContact CD1-CB 4.15Å; F117-L122 HydrophobicContact CD1-CD1 4.4Å; F117-L122 HydrophobicContact CG-CB 4.4Å; F117-L122 PolarHBondContact O-N 2.72Å; F117-D124 HydrophobicContact CD2-CB 4.5Å; F117-W129 HydrophobicContact CZ-CB 4.19Å; F117-V132 HydrophobicContact CE1-CG2 4.44Å |
| 118 | D | 95.5 | Very high | 95 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.4 | -63.6 | 171.9 | -178.6 | 69.6 | 0 | 0 | 0 | 111.1 | D114 E115 F116 C120 S121 | D114-D118 WeakPolarHBondContact O-CB 3.5Å; D114-D118 PolarHBondContact O-N 2.71Å; D114-D118 VanDerWaalsContact O-N 3.13Å; E115-D118 PolarHBondContact O-N 2.64Å; F116-D118 VanDerWaalsContact C-N 3.34Å; D118-C120 PolarHBondContact O-N 3.33Å; D118-S121 PolarHBondContact O-N 2.92Å; D118-S121 VanDerWaalsContact O-N 3.1Å |
| 119 | K | 95.7 | Very high | 95 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | -171.8 | -60.7 | -55.8 | 174.4 | -135.7 | 0 | 113.9 | E115 Q227 L230 L261 V262 | E115-K119 HydrophobicContact CG-CG 4.22Å; E115-K119 WeakPolarHBondContact O-CB 3.23Å; E115-K119 WeakPolarHBondContact O-CG 3.42Å; E115-K119 PolarHBondContact O-N 3.47Å; K119-Q227 WeakPolarHBondContact O-CG 3.42Å; K119-Q227 PolarHBondContact O-NE2 3.07Å; K119-L230 HydrophobicContact CB-CD2 3.8Å; K119-L230 HydrophobicContact CG-CD2 4.32Å; K119-L261 HydrophobicContact CB-CD2 4.07Å; K119-L261 HydrophobicContact CG-CD2 4.27Å; K119-V262 HydrophobicContact CG-CG2 4.38Å |
| 120 | C | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 10.5 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | F116 D118 L122 F218 M231 | F116-C120 VanDerWaalsContact O-CB 3.24Å; F116-C120 WeakPolarHBondContact O-CB 3.45Å; F116-C120 PolarHBondContact O-N 2.81Å; D118-C120 PolarHBondContact O-N 3.33Å; C120-L122 HydrophobicContact CB-CD1 4.1Å; C120-L122 HydrophobicContact CB-CD2 4.28Å; C120-L122 HydrophobicContact CB-CG 3.79Å; C120-L122 PolarHBondContact O-N 2.78Å; C120-F218 HydrophobicContact CB-CE1 3.62Å; C120-F218 HydrophobicContact CB-CZ 3.78Å; C120-F218 WeakPolarHBondContact O-CE1 3.26Å; C120-M231 VanDerWaalsContact SG-CG 3.57Å; C120-M231 VanDerWaalsContact SG-SD 3.63Å |
| 121 | S | 95.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 62% | 0.615 | 21% | 0.205 | S | C | * | . | trans | 51.7 | 28.2 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 115.4 | F117 D118 Q227 | F117-S121 CarbonylContact O-C 3.5Å; F117-S121 VanDerWaalsContact O-CA 3.28Å; F117-S121 WeakPolarHBondContact O-CA 3.33Å; F117-S121 PolarHBondContact O-N 3.38Å; D118-S121 PolarHBondContact O-N 2.92Å; D118-S121 VanDerWaalsContact O-N 3.1Å; S121-Q227 PolarHBondContact OG-NE2 2.94Å | ||
| 122 | L | 94.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | trans | -76.4 | 131 | -173.9 | -54.7 | 174.1 | 0 | 0 | 0 | 111.2 | F117 C120 V132 L217 F218 | F117-L122 HydrophobicContact CD1-CB 4.15Å; F117-L122 HydrophobicContact CD1-CD1 4.4Å; F117-L122 HydrophobicContact CG-CB 4.4Å; F117-L122 PolarHBondContact O-N 2.72Å; C120-L122 HydrophobicContact CB-CD1 4.1Å; C120-L122 HydrophobicContact CB-CD2 4.28Å; C120-L122 HydrophobicContact CB-CG 3.79Å; C120-L122 PolarHBondContact O-N 2.78Å; L122-V132 HydrophobicContact CD1-CG2 3.77Å; L122-L217 HydrophobicContact CD1-CD1 4.27Å; L122-F218 HydrophobicContact CD2-CD1 4.31Å | ||
| 123 | P | 94.4 | Very high | 95.8 | Very high | 83 Ų | 83 | 32.2 Ų | 32.2 | 54% | 0.539 | 18% | 0.178 | S | C | . | . | trans | -69.7 | 142.5 | -175.8 | 28.2 | -36 | 0 | 0 | 0 | 112.7 | T125 S128 | P123-T125 VanDerWaalsContact C-N 3.3Å; P123-T125 HydrophobicContact CB-CG2 4.1Å; P123-T125 HydrophobicContact CG-CG2 4.24Å; P123-T125 PolarHBondContact O-N 3.28Å; P123-T125 PolarHBondContact O-OG1 2.76Å; P123-S128 WeakPolarHBondContact CD-OG 3.02Å; P123-S128 WeakPolarHBondContact O-CB 3.45Å; P123-S128 PolarHBondContact O-OG 3.37Å | ||
| 124 | D | 93.3 | Very high | 96 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -66.4 | 80.5 | -177.8 | -179.8 | 21 | 0 | 0 | 0 | 113.2 | M1 Y2 R3 F117 | M1-D124 CarbonylContact C-O 3.53Å; M1-D124 VanDerWaalsContact CA-CG 3.48Å; M1-D124 WeakPolarHBondContact CA-O 3.14Å; M1-D124 WeakPolarHBondContact CA-OD2 3.32Å; M1-D124 WeakPolarHBondContact CB-OD2 3.29Å; M1-D124 WeakPolarHBondContact CG-OD2 3.4Å; M1-D124 PolarHBondContact N-O 2.96Å; Y2-D124 WeakPolarHBondContact CA-OD1 3.46Å; Y2-D124 VanDerWaalsContact CB-OD1 3.31Å; Y2-D124 WeakPolarHBondContact CB-OD1 3.36Å; Y2-D124 PolarHBondContact N-O 3.14Å; Y2-D124 PolarHBondContact N-OD1 2.93Å; Y2-D124 PolarHBondContact N-OD2 2.64Å; R3-D124 WeakPolarHBondContact CG-OD1 3.5Å; R3-D124 PolarHBondContact N-OD1 3.2Å; R3-D124 PolarHBondContact N-OD2 2.81Å; F117-D124 HydrophobicContact CD2-CB 4.5Å |
| 125 | T | 94.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 27.7 Ų | 27.7 | 31% | 0.307 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -138.4 | 159.7 | -171.1 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | Y2 P123 N127 S128 W129 | Y2-T125 VanDerWaalsContact CB-C 3.44Å; P123-T125 VanDerWaalsContact C-N 3.3Å; P123-T125 HydrophobicContact CB-CG2 4.1Å; P123-T125 HydrophobicContact CG-CG2 4.24Å; P123-T125 PolarHBondContact O-N 3.28Å; P123-T125 PolarHBondContact O-OG1 2.76Å; T125-N127 PolarHBondContact O-N 3.16Å; T125-N127 PolarHBondContact OG1-N 2.82Å; T125-S128 PolarHBondContact O-N 3.12Å; T125-S128 PolarHBondContact OG1-N 3.09Å; T125-S128 PolarHBondContact OG1-OG 3.26Å; T125-S128 VanDerWaalsContact OG1-OG 3.1Å; T125-W129 PolarHBondContact O-N 2.89Å |
| 126 | L | 95 | Very high | 96.4 | Very high | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -32.9 | 172.4 | -176.7 | 63.7 | 0 | 0 | 0 | 111.8 | Y2 W129 F130 R169 M173 I175 M187 | Y2-L126 HydrophobicContact CD2-CB 4.16Å; Y2-L126 HydrophobicContact CD2-CD1 3.85Å; Y2-L126 HydrophobicContact CE2-CD1 3.62Å; L126-W129 HydrophobicContact CD1-CE3 3.76Å; L126-W129 HydrophobicContact CD1-CZ3 4.12Å; L126-F130 WeakPolarHBondContact O-CB 3.35Å; L126-F130 PolarHBondContact O-N 3.13Å; L126-R169 HydrophobicContact CD1-CB 3.81Å; L126-M173 HydrophobicContact CB-CE 4.16Å; L126-M173 HydrophobicContact CB-SD 3.89Å; L126-M173 HydrophobicContact CD1-SD 4.14Å; L126-M173 HydrophobicContact CD2-SD 4.43Å; L126-M173 HydrophobicContact CG-SD 4.38Å; L126-I175 HydrophobicContact CD2-CD1 3.93Å; L126-M187 HydrophobicContact CD2-CE 4.4Å; L126-M187 HydrophobicContact CG-CE 4.21Å |
| 127 | N | 95.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 25.9 Ų | 25.9 | 28% | 0.278 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65 | -52.1 | 177.5 | -162.9 | 54.9 | 0 | 0 | 0 | 110.8 | T125 W129 F130 L131 M187 | T125-N127 PolarHBondContact O-N 3.16Å; T125-N127 PolarHBondContact OG1-N 2.82Å; N127-W129 VanDerWaalsContact C-N 3.29Å; N127-W129 PolarHBondContact O-N 2.84Å; N127-F130 CarbonylContact O-C 3.45Å; N127-F130 WeakPolarHBondContact O-CA 3.24Å; N127-F130 WeakPolarHBondContact O-CB 3.35Å; N127-F130 PolarHBondContact O-N 3.24Å; N127-L131 WeakPolarHBondContact O-CG 3.45Å; N127-L131 PolarHBondContact O-N 2.97Å; N127-M187 HydrophobicContact CB-CE 4.31Å |
| 128 | S | 96.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -34.9 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | P123 T125 V132 | P123-S128 WeakPolarHBondContact CD-OG 3.02Å; P123-S128 WeakPolarHBondContact O-CB 3.45Å; P123-S128 PolarHBondContact O-OG 3.37Å; T125-S128 PolarHBondContact O-N 3.12Å; T125-S128 PolarHBondContact OG1-N 3.09Å; T125-S128 PolarHBondContact OG1-OG 3.26Å; T125-S128 VanDerWaalsContact OG1-OG 3.1Å; S128-V132 WeakPolarHBondContact O-CG2 3.36Å; S128-V132 PolarHBondContact O-N 3.24Å |
| 129 | W | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 168 | 169.1 | 78 | 0 | 0 | 0 | 111.6 | Y2 V108 Y113 F117 T125 L126 N127 L131 V132 A133 V166 R169 | Y2-W129 HydrophobicContact CD1-CB 4.14Å; Y2-W129 HydrophobicContact CD2-CB 4.3Å; Y2-W129 HydrophobicContact CE1-CB 3.65Å; Y2-W129 AromaticContact CE1-CD1 3.86Å; Y2-W129 AromaticContact CE1-CG 3.75Å; Y2-W129 HydrophobicContact CE1-CG 3.75Å; Y2-W129 HydrophobicContact CE2-CB 3.82Å; Y2-W129 HydrophobicContact CE2-CD2 4.03Å; Y2-W129 HydrophobicContact CE2-CE3 4.25Å; Y2-W129 AromaticContact CE2-CG 3.83Å; Y2-W129 HydrophobicContact CE2-CG 3.83Å; Y2-W129 HydrophobicContact CG-CB 4.46Å; Y2-W129 VanDerWaalsContact CZ-CB 3.48Å; Y2-W129 AromaticContact CZ-CD1 3.57Å; Y2-W129 AromaticContact CZ-CD2 3.74Å; Y2-W129 AromaticContact CZ-CG 3.26Å; Y2-W129 VanDerWaalsContact OH-CE2 3.3Å; Y2-W129 PolarHBondContact OH-NE1 3.22Å; V108-W129 HydrophobicContact CB-CZ2 4.13Å; V108-W129 HydrophobicContact CG1-CZ2 3.83Å; Y113-W129 AromaticContact CD1-CD1 3.56Å; Y113-W129 HydrophobicContact CD1-CG 4.45Å; Y113-W129 AromaticContact CE1-CD1 3.18Å; Y113-W129 HydrophobicContact CE1-CG 4.08Å; Y113-W129 AromaticContact CE1-NE1 3.62Å; Y113-W129 AromaticContact CE2-NE1 3.98Å; Y113-W129 AromaticContact CZ-CD1 3.54Å; Y113-W129 AromaticContact CZ-NE1 3.45Å; F117-W129 HydrophobicContact CZ-CB 4.19Å; T125-W129 PolarHBondContact O-N 2.89Å; L126-W129 HydrophobicContact CD1-CE3 3.76Å; L126-W129 HydrophobicContact CD1-CZ3 4.12Å; N127-W129 VanDerWaalsContact C-N 3.29Å; N127-W129 PolarHBondContact O-N 2.84Å; W129-L131 PolarHBondContact O-N 3.35Å; W129-V132 PolarHBondContact O-N 3.35Å; W129-A133 HydrophobicContact CZ2-CB 4.25Å; W129-A133 VanDerWaalsContact O-CB 3.29Å; W129-A133 WeakPolarHBondContact O-CB 3.28Å; W129-A133 PolarHBondContact O-N 2.93Å; W129-V166 HydrophobicContact CH2-CG2 4.39Å; W129-V166 HydrophobicContact CZ3-CG2 3.9Å; W129-R169 VanDerWaalsContact CZ2-CZ 3.45Å |
| 130 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 178.9 | 171.4 | -100.8 | 0 | 0 | 0 | 112.5 | L126 N127 V132 A133 Q134 M162 W163 V166 M187 F191 | L126-F130 WeakPolarHBondContact O-CB 3.35Å; L126-F130 PolarHBondContact O-N 3.13Å; N127-F130 CarbonylContact O-C 3.45Å; N127-F130 WeakPolarHBondContact O-CA 3.24Å; N127-F130 WeakPolarHBondContact O-CB 3.35Å; N127-F130 PolarHBondContact O-N 3.24Å; F130-V132 PolarHBondContact O-N 2.68Å; F130-A133 PolarHBondContact O-N 3.37Å; F130-Q134 VanDerWaalsContact CE1-OE1 3.25Å; F130-Q134 HydrophobicContact CE2-CB 4.39Å; F130-Q134 HydrophobicContact CZ-CB 4.22Å; F130-Q134 WeakPolarHBondContact O-CB 3.49Å; F130-Q134 WeakPolarHBondContact O-CG 3.36Å; F130-Q134 PolarHBondContact O-N 2.91Å; F130-M162 HydrophobicContact CE2-CE 4.03Å; F130-M162 HydrophobicContact CE2-SD 4.16Å; F130-W163 AromaticContact CE2-CH2 3.7Å; F130-W163 HydrophobicContact CE2-CH2 3.7Å; F130-W163 AromaticContact CE2-CZ3 3.67Å; F130-W163 HydrophobicContact CE2-CZ3 3.67Å; F130-W163 AromaticContact CZ-CH2 3.54Å; F130-W163 HydrophobicContact CZ-CH2 3.54Å; F130-W163 HydrophobicContact CZ-CZ2 4.46Å; F130-W163 AromaticContact CZ-CZ3 3.91Å; F130-W163 HydrophobicContact CZ-CZ3 3.91Å; F130-V166 HydrophobicContact CD2-CG2 3.65Å; F130-V166 HydrophobicContact CE2-CG2 4.12Å; F130-M187 HydrophobicContact CB-CE 4.39Å; F130-M187 HydrophobicContact CD1-CB 4.06Å; F130-M187 HydrophobicContact CD1-CG 3.78Å; F130-M187 HydrophobicContact CD1-SD 4.36Å; F130-M187 HydrophobicContact CE1-CB 3.69Å; F130-M187 HydrophobicContact CE1-CG 3.95Å; F130-M187 HydrophobicContact CG-CG 4.29Å; F130-M187 HydrophobicContact CG-SD 4.27Å; F130-M187 HydrophobicContact CZ-CB 3.97Å; F130-F191 HydrophobicContact CZ-CB 4.22Å; F130-F191 HydrophobicContact CZ-CD2 4.47Å |
| 131 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 179.1 | -62 | -176.9 | 0 | 0 | 0 | 112.5 | N127 W129 Q134 L135 T190 L217 N219 | N127-L131 WeakPolarHBondContact O-CG 3.45Å; N127-L131 PolarHBondContact O-N 2.97Å; W129-L131 PolarHBondContact O-N 3.35Å; L131-Q134 WeakPolarHBondContact O-CG 3.37Å; L131-L135 PolarHBondContact O-N 2.9Å; L131-T190 HydrophobicContact CD2-CG2 3.68Å; L131-L217 HydrophobicContact CB-CD1 4.04Å; L131-L217 VanDerWaalsContact CD1-O 3.31Å; L131-L217 WeakPolarHBondContact CD1-O 3.43Å; L131-N219 WeakPolarHBondContact CD1-ND2 3.28Å |
| 132 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.3 | -42.4 | 171.8 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | I111 Y113 F116 F117 L122 S128 W129 F130 Q134 L135 H136 L217 | I111-V132 HydrophobicContact CG2-CG1 4.08Å; Y113-V132 HydrophobicContact CD1-CB 3.95Å; Y113-V132 HydrophobicContact CD1-CG1 3.72Å; Y113-V132 HydrophobicContact CE1-CB 3.66Å; Y113-V132 HydrophobicContact CE1-CG1 3.47Å; Y113-V132 VanDerWaalsContact CE1-CG1 3.47Å; F116-V132 HydrophobicContact CB-CG1 4.34Å; F116-V132 HydrophobicContact CB-CG2 3.98Å; F116-V132 HydrophobicContact CD1-CG1 3.9Å; F116-V132 HydrophobicContact CD1-CG2 3.99Å; F116-V132 HydrophobicContact CD2-CG1 4.2Å; F116-V132 HydrophobicContact CE1-CG1 4.21Å; F116-V132 HydrophobicContact CG-CG1 3.88Å; F116-V132 HydrophobicContact CG-CG2 4.17Å; F116-V132 HydrophobicContact CZ-CG1 4.5Å; F117-V132 HydrophobicContact CE1-CG2 4.44Å; L122-V132 HydrophobicContact CD1-CG2 3.77Å; S128-V132 WeakPolarHBondContact O-CG2 3.36Å; S128-V132 PolarHBondContact O-N 3.24Å; W129-V132 PolarHBondContact O-N 3.35Å; F130-V132 PolarHBondContact O-N 2.68Å; V132-Q134 PolarHBondContact O-N 2.8Å; V132-L135 PolarHBondContact O-N 3.2Å; V132-H136 PolarHBondContact O-N 3.18Å; V132-H136 PolarHBondContact O-ND1 2.91Å; V132-L217 HydrophobicContact CG2-CD1 4.22Å |
| 133 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V108 Y113 W129 F130 L135 H136 V137 | V108-A133 HydrophobicContact CG1-CB 3.98Å; Y113-A133 WeakPolarHBondContact OH-CA 3.09Å; Y113-A133 WeakPolarHBondContact OH-CB 3.38Å; W129-A133 HydrophobicContact CZ2-CB 4.25Å; W129-A133 VanDerWaalsContact O-CB 3.29Å; W129-A133 WeakPolarHBondContact O-CB 3.28Å; W129-A133 PolarHBondContact O-N 2.93Å; F130-A133 PolarHBondContact O-N 3.37Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.89Å; A133-H136 PolarHBondContact O-N 2.86Å; A133-V137 WeakPolarHBondContact O-CG2 3.24Å; A133-V137 PolarHBondContact O-N 3.35Å |
| 134 | Q | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.8 | -29.6 | -180 | 73.1 | 174.7 | -1.6 | 0 | 0 | 112.7 | F130 L131 V132 W138 M162 F191 | F130-Q134 VanDerWaalsContact CE1-OE1 3.25Å; F130-Q134 HydrophobicContact CE2-CB 4.39Å; F130-Q134 HydrophobicContact CZ-CB 4.22Å; F130-Q134 WeakPolarHBondContact O-CB 3.49Å; F130-Q134 WeakPolarHBondContact O-CG 3.36Å; F130-Q134 PolarHBondContact O-N 2.91Å; L131-Q134 WeakPolarHBondContact O-CG 3.37Å; V132-Q134 PolarHBondContact O-N 2.8Å; Q134-W138 VanDerWaalsContact O-CB 3.27Å; Q134-W138 WeakPolarHBondContact O-CB 3.32Å; Q134-W138 PolarHBondContact O-N 3.02Å; Q134-M162 HydrophobicContact CB-SD 4.47Å; Q134-F191 HydrophobicContact CB-CD2 3.94Å; Q134-F191 HydrophobicContact CB-CE2 4.21Å |
| 135 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.6 | -177.9 | 67.1 | 0 | 0 | 0 | 110.2 | L131 V132 A133 W138 M139 Y198 L213 L217 M231 V235 | L131-L135 PolarHBondContact O-N 2.9Å; V132-L135 PolarHBondContact O-N 3.2Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.89Å; L135-W138 HydrophobicContact CD1-CE3 4.12Å; L135-W138 PolarHBondContact O-N 3.28Å; L135-M139 HydrophobicContact CG-CE 4.26Å; L135-M139 WeakPolarHBondContact O-CG 3.34Å; L135-M139 PolarHBondContact O-N 2.81Å; L135-M139 VanDerWaalsContact O-N 3.09Å; L135-Y198 HydrophobicContact CD1-CD2 3.85Å; L135-Y198 HydrophobicContact CD1-CE1 4.45Å; L135-Y198 HydrophobicContact CD1-CE2 3.43Å; L135-Y198 VanDerWaalsContact CD1-CE2 3.43Å; L135-L213 HydrophobicContact CD1-CD2 4.17Å; L135-L213 HydrophobicContact CD2-CD2 4.45Å; L135-L217 HydrophobicContact CD2-CD2 4.41Å; L135-M231 HydrophobicContact CD2-CE 3.47Å; L135-M231 VanDerWaalsContact CD2-CE 3.47Å; L135-V235 HydrophobicContact CD1-CG2 4Å; L135-V235 HydrophobicContact CD2-CG2 4.08Å; L135-V235 HydrophobicContact CG-CG2 4.38Å |
| 136 | H | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.4 | -64 | 95.4 | 0 | 0 | 0 | 112.2 | C107 I111 F116 V132 A133 W138 M139 C140 Y234 W258 | C107-H136 HydrophobicContact CB-CB 3.89Å; I111-H136 VanDerWaalsContact CD1-CD2 3.42Å; I111-H136 WeakPolarHBondContact CD1-CD2 3.3Å; I111-H136 VanDerWaalsContact CD1-NE2 3.32Å; I111-H136 WeakPolarHBondContact CD1-NE2 3.38Å; F116-H136 AromaticContact CE1-CE1 3.99Å; F116-H136 AromaticContact CZ-CE1 3.54Å; F116-H136 AromaticContact CZ-NE2 3.73Å; V132-H136 PolarHBondContact O-N 3.18Å; V132-H136 PolarHBondContact O-ND1 2.91Å; A133-H136 PolarHBondContact O-N 2.86Å; H136-W138 PolarHBondContact O-N 3.48Å; H136-M139 PolarHBondContact O-N 3.26Å; H136-C140 PolarHBondContact O-N 2.82Å; H136-C140 PolarHBondContact O-SG 3.29Å; H136-Y234 AromaticContact NE2-CE1 3.56Å; H136-Y234 AromaticContact NE2-CZ 3.72Å; H136-Y234 PolarHBondContact NE2-OH 3.45Å; H136-Y234 VanDerWaalsContact NE2-OH 3.09Å; H136-W258 HydrophobicContact CB-CH2 3.8Å; H136-W258 HydrophobicContact CB-CZ2 3.76Å; H136-W258 HydrophobicContact CB-CZ3 4.42Å; H136-W258 AromaticContact CD2-CD2 3.83Å; H136-W258 AromaticContact CD2-CE2 3.99Å; H136-W258 AromaticContact CD2-CE3 3.65Å; H136-W258 AromaticContact CD2-CH2 3.9Å; H136-W258 AromaticContact CD2-CZ3 3.68Å; H136-W258 WeakPolarHBondContact O-CH2 3.35Å |
| 137 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 172 | 166.1 | 0 | 0 | 0 | 0 | 111 | Y104 C107 A133 M139 C140 L141 I158 M162 F191 | Y104-V137 HydrophobicContact CD2-CG2 3.86Å; Y104-V137 HydrophobicContact CE2-CG2 4Å; C107-V137 HydrophobicContact CB-CG2 4.05Å; A133-V137 WeakPolarHBondContact O-CG2 3.24Å; A133-V137 PolarHBondContact O-N 3.35Å; V137-M139 PolarHBondContact O-N 3.49Å; V137-C140 WeakPolarHBondContact O-CB 3.47Å; V137-C140 PolarHBondContact O-N 2.88Å; V137-L141 HydrophobicContact CG1-CD1 3.86Å; V137-L141 HydrophobicContact CG1-CG 4.05Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.24Å; V137-L141 PolarHBondContact O-N 3.23Å; V137-I158 HydrophobicContact CG1-CG2 3.87Å; V137-I158 HydrophobicContact CG2-CG2 4.24Å; V137-M162 HydrophobicContact CB-SD 4.22Å; V137-M162 HydrophobicContact CG1-SD 4.05Å; V137-M162 HydrophobicContact CG2-SD 4.08Å; V137-F191 HydrophobicContact CG1-CE2 4.49Å |
| 138 | W | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 178.5 | 165.1 | 77.6 | 0 | 0 | 0 | 112 | Q134 L135 H136 C140 L141 V142 Y198 D199 I202 V235 M239 | Q134-W138 VanDerWaalsContact O-CB 3.27Å; Q134-W138 WeakPolarHBondContact O-CB 3.32Å; Q134-W138 PolarHBondContact O-N 3.02Å; L135-W138 HydrophobicContact CD1-CE3 4.12Å; L135-W138 PolarHBondContact O-N 3.28Å; H136-W138 PolarHBondContact O-N 3.48Å; W138-C140 VanDerWaalsContact C-N 3.32Å; W138-C140 PolarHBondContact O-N 3.37Å; W138-L141 CarbonylContact O-C 3.26Å; W138-L141 WeakPolarHBondContact O-CA 3.32Å; W138-L141 WeakPolarHBondContact O-CB 3.25Å; W138-L141 PolarHBondContact O-N 3.34Å; W138-V142 HydrophobicContact CD2-CG2 4.26Å; W138-V142 VanDerWaalsContact CE2-CG2 3.5Å; W138-V142 HydrophobicContact CZ2-CG2 3.73Å; W138-V142 WeakPolarHBondContact O-CG2 3.43Å; W138-V142 PolarHBondContact O-N 3.45Å; W138-Y198 HydrophobicContact CB-CD2 4.39Å; W138-Y198 AromaticContact CD2-CD2 3.77Å; W138-Y198 HydrophobicContact CD2-CD2 3.77Å; W138-Y198 HydrophobicContact CD2-CG 4.16Å; W138-Y198 AromaticContact CE3-CD2 3.87Å; W138-Y198 HydrophobicContact CE3-CD2 3.87Å; W138-Y198 HydrophobicContact CE3-CG 4.24Å; W138-Y198 AromaticContact CG-CD2 3.96Å; W138-Y198 HydrophobicContact CG-CD2 3.96Å; W138-Y198 VanDerWaalsContact CZ2-C 3.46Å; W138-Y198 VanDerWaalsContact CZ2-CB 3.43Å; W138-Y198 WeakPolarHBondContact CZ2-O 3.46Å; W138-D199 PolarHBondContact NE1-OD1 3.47Å; W138-I202 HydrophobicContact CH2-CB 4.02Å; W138-I202 HydrophobicContact CH2-CG1 4.3Å; W138-I202 HydrophobicContact CH2-CG2 4.26Å; W138-I202 HydrophobicContact CZ2-CB 4.24Å; W138-I202 HydrophobicContact CZ2-CG2 4Å; W138-V235 HydrophobicContact CH2-CG1 4.24Å; W138-V235 HydrophobicContact CZ3-CG1 3.85Å; W138-M239 HydrophobicContact CH2-CG 4.27Å; W138-M239 HydrophobicContact CH2-SD 4.24Å; W138-M239 HydrophobicContact CZ3-CG 4.38Å; W138-M239 HydrophobicContact CZ3-SD 4.29Å |
| 139 | M | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 176.8 | -66.4 | -173.7 | -77.5 | 0 | 0 | 111.8 | L135 H136 V137 L141 V142 R143 Y234 Q238 M239 I242 W258 | L135-M139 HydrophobicContact CG-CE 4.26Å; L135-M139 WeakPolarHBondContact O-CG 3.34Å; L135-M139 PolarHBondContact O-N 2.81Å; L135-M139 VanDerWaalsContact O-N 3.09Å; H136-M139 PolarHBondContact O-N 3.26Å; V137-M139 PolarHBondContact O-N 3.49Å; M139-L141 PolarHBondContact O-N 2.79Å; M139-V142 PolarHBondContact O-N 3.09Å; M139-R143 PolarHBondContact O-N 3.36Å; M139-R143 VanDerWaalsContact O-N 3.14Å; M139-Y234 HydrophobicContact CE-CE1 4.26Å; M139-Q238 HydrophobicContact CE-CB 4.1Å; M139-Q238 HydrophobicContact CE-CG 4.19Å; M139-Q238 HydrophobicContact SD-CB 3.47Å; M139-Q238 WeakPolarHBondContact SD-CB 3.34Å; M139-Q238 HydrophobicContact SD-CG 4.15Å; M139-M239 HydrophobicContact CB-SD 3.66Å; M139-M239 HydrophobicContact CG-CG 4.2Å; M139-M239 HydrophobicContact CG-SD 3.58Å; M139-M239 VanDerWaalsContact CG-SD 3.58Å; M139-M239 HydrophobicContact SD-CG 4.32Å; M139-M239 HydrophobicContact SD-SD 4.34Å; M139-I242 HydrophobicContact CB-CD1 4.42Å; M139-W258 HydrophobicContact CB-CH2 4.37Å; M139-W258 HydrophobicContact CB-CZ3 4.32Å; M139-W258 HydrophobicContact CE-CE3 4.37Å; M139-W258 HydrophobicContact CE-CH2 4.29Å; M139-W258 HydrophobicContact CE-CZ3 3.64Å; M139-W258 HydrophobicContact SD-CZ3 4.41Å |
| 140 | C | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 172.1 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | M103 H136 V137 W138 R143 M144 | M103-C140 HydrophobicContact CG-CB 4.07Å; M103-C140 HydrophobicContact SD-CB 3.78Å; H136-C140 PolarHBondContact O-N 2.82Å; H136-C140 PolarHBondContact O-SG 3.29Å; V137-C140 WeakPolarHBondContact O-CB 3.47Å; V137-C140 PolarHBondContact O-N 2.88Å; W138-C140 VanDerWaalsContact C-N 3.32Å; W138-C140 PolarHBondContact O-N 3.37Å; C140-R143 PolarHBondContact O-N 3.3Å; C140-M144 WeakPolarHBondContact O-CB 3.35Å; C140-M144 VanDerWaalsContact O-CG 3.31Å; C140-M144 WeakPolarHBondContact O-CG 3.47Å; C140-M144 PolarHBondContact O-N 3.45Å |
| 141 | L | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.4 | -37.1 | 177.5 | -67.4 | 177.8 | 0 | 0 | 0 | 112.4 | V137 W138 M139 R145 C155 I158 V159 F191 | V137-L141 HydrophobicContact CG1-CD1 3.86Å; V137-L141 HydrophobicContact CG1-CG 4.05Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.24Å; V137-L141 PolarHBondContact O-N 3.23Å; W138-L141 CarbonylContact O-C 3.26Å; W138-L141 WeakPolarHBondContact O-CA 3.32Å; W138-L141 WeakPolarHBondContact O-CB 3.25Å; W138-L141 PolarHBondContact O-N 3.34Å; M139-L141 PolarHBondContact O-N 2.79Å; L141-R145 WeakPolarHBondContact O-CB 3.21Å; L141-R145 WeakPolarHBondContact O-CD 3.43Å; L141-R145 WeakPolarHBondContact O-CG 3.27Å; L141-R145 PolarHBondContact O-N 3.11Å; L141-R145 VanDerWaalsContact O-N 3.1Å; L141-R145 PolarHBondContact O-NE 2.89Å; L141-C155 HydrophobicContact CD2-CB 3.55Å; L141-I158 HydrophobicContact CD2-CB 4.43Å; L141-V159 HydrophobicContact CD1-CG2 3.72Å; L141-V159 HydrophobicContact CD2-CG2 4.04Å; L141-V159 HydrophobicContact CG-CG2 4.49Å; L141-F191 HydrophobicContact CD1-CZ 4.13Å |
| 142 | V | 97.7 | Very high | 97.2 | Very high | 30 Ų | 30 | 28 Ų | 28 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -50.4 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | W138 M139 M144 R145 M239 | W138-V142 HydrophobicContact CD2-CG2 4.26Å; W138-V142 VanDerWaalsContact CE2-CG2 3.5Å; W138-V142 HydrophobicContact CZ2-CG2 3.73Å; W138-V142 WeakPolarHBondContact O-CG2 3.43Å; W138-V142 PolarHBondContact O-N 3.45Å; M139-V142 PolarHBondContact O-N 3.09Å; V142-M144 PolarHBondContact O-N 3.41Å; V142-R145 PolarHBondContact O-N 2.98Å; V142-M239 HydrophobicContact CB-CE 3.97Å; V142-M239 HydrophobicContact CG1-CE 3.6Å |
| 143 | R | 97.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.8 | -51.7 | 177.8 | -179.8 | 64.6 | -168.7 | 82 | -3.5 | 112.5 | M139 C140 R145 Q146 E147 I242 L245 L250 | M139-R143 PolarHBondContact O-N 3.36Å; M139-R143 VanDerWaalsContact O-N 3.14Å; C140-R143 PolarHBondContact O-N 3.3Å; R143-R145 VanDerWaalsContact C-N 3.29Å; R143-R145 PolarHBondContact O-N 3.48Å; R143-Q146 WeakPolarHBondContact O-CB 3.44Å; R143-Q146 PolarHBondContact O-N 2.84Å; R143-E147 IonicContact CZ-OE1 3.35Å; R143-E147 IonicContact NH1-OE1 2.69Å; R143-E147 PolarHBondContact NH1-OE1 3.47Å; R143-E147 IonicContact NH2-OE1 3.06Å; R143-E147 PolarHBondContact NH2-OE1 2.94Å; R143-I242 HydrophobicContact CB-CG2 3.66Å; R143-I242 VanDerWaalsContact CD-O 3.23Å; R143-I242 WeakPolarHBondContact CD-O 2.95Å; R143-I242 HydrophobicContact CG-CG2 3.73Å; R143-I242 PolarHBondContact NE-O 3.5Å; R143-L245 PolarHBondContact NE-O 3.24Å; R143-L245 PolarHBondContact NH2-O 3.19Å; R143-L250 HydrophobicContact CG-CD1 3.99Å |
| 144 | M | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76 | -11.2 | -174.5 | -59.8 | -43.7 | -63.3 | 0 | 0 | 113.7 | M103 C140 V142 Q146 E147 G151 M154 L250 L251 | M103-M144 HydrophobicContact CE-CG 3.89Å; M103-M144 HydrophobicContact CE-SD 3.8Å; M103-M144 HydrophobicContact SD-CG 3.75Å; M103-M144 HydrophobicContact SD-SD 4.45Å; C140-M144 WeakPolarHBondContact O-CB 3.35Å; C140-M144 VanDerWaalsContact O-CG 3.31Å; C140-M144 WeakPolarHBondContact O-CG 3.47Å; C140-M144 PolarHBondContact O-N 3.45Å; V142-M144 PolarHBondContact O-N 3.41Å; M144-Q146 VanDerWaalsContact C-N 3.26Å; M144-Q146 PolarHBondContact O-N 3.47Å; M144-E147 HydrophobicContact CE-CB 4.19Å; M144-E147 HydrophobicContact CE-CG 3.71Å; M144-E147 PolarHBondContact O-N 3.49Å; M144-E147 HydrophobicContact SD-CG 4.49Å; M144-G151 CarbonylContact O-C 3.51Å; M144-G151 VanDerWaalsContact O-C 3.26Å; M144-G151 WeakPolarHBondContact O-CA 3.45Å; M144-M154 HydrophobicContact CE-SD 3.73Å; M144-M154 HydrophobicContact CG-CG 4.44Å; M144-M154 HydrophobicContact CG-SD 3.85Å; M144-M154 HydrophobicContact SD-SD 4.29Å; M144-L250 HydrophobicContact CE-CB 3.93Å; M144-L250 HydrophobicContact SD-CB 3.8Å; M144-L250 HydrophobicContact SD-CD1 3.9Å; M144-L250 HydrophobicContact SD-CG 4.5Å; M144-L251 HydrophobicContact CE-CD2 3.62Å; M144-L251 HydrophobicContact CE-CG 3.69Å |
| 145 | R | 95.4 | Very high | 97.1 | Very high | 111 Ų | 111 | 31 Ų | 31 | 42% | 0.419 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -69.4 | -23.8 | 171.1 | -81.9 | 162.8 | -166.5 | -136.7 | 11.5 | 113.4 | L141 V142 R143 E147 | L141-R145 WeakPolarHBondContact O-CB 3.21Å; L141-R145 WeakPolarHBondContact O-CD 3.43Å; L141-R145 WeakPolarHBondContact O-CG 3.27Å; L141-R145 PolarHBondContact O-N 3.11Å; L141-R145 VanDerWaalsContact O-N 3.1Å; L141-R145 PolarHBondContact O-NE 2.89Å; V142-R145 PolarHBondContact O-N 2.98Å; R143-R145 VanDerWaalsContact C-N 3.29Å; R143-R145 PolarHBondContact O-N 3.48Å; R145-E147 VanDerWaalsContact C-N 3.3Å |
| 146 | Q | 95.5 | Very high | 97.1 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 52% | 0.523 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -68.2 | -32.7 | 176.6 | -55 | -174.4 | 43.9 | 0 | 0 | 111.3 | R143 M144 G148 D243 | R143-Q146 WeakPolarHBondContact O-CB 3.44Å; R143-Q146 PolarHBondContact O-N 2.84Å; M144-Q146 VanDerWaalsContact C-N 3.26Å; M144-Q146 PolarHBondContact O-N 3.47Å; Q146-G148 PolarHBondContact O-N 3.47Å; Q146-D243 PolarHBondContact NE2-OD1 2.92Å |
| 147 | E | 95.8 | Very high | 97.1 | Very high | 46 Ų | 46 | 43 Ų | 43 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -76.1 | 44.8 | -176.9 | -55.1 | -53 | 142.1 | 0 | 0 | 114.4 | R143 M144 R145 R149 G151 G247 L251 | R143-E147 IonicContact CZ-OE1 3.35Å; R143-E147 IonicContact NH1-OE1 2.69Å; R143-E147 PolarHBondContact NH1-OE1 3.47Å; R143-E147 IonicContact NH2-OE1 3.06Å; R143-E147 PolarHBondContact NH2-OE1 2.94Å; M144-E147 HydrophobicContact CE-CB 4.19Å; M144-E147 HydrophobicContact CE-CG 3.71Å; M144-E147 PolarHBondContact O-N 3.49Å; M144-E147 HydrophobicContact SD-CG 4.49Å; R145-E147 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.2Å; E147-G151 WeakPolarHBondContact O-CA 3.48Å; E147-G151 PolarHBondContact O-N 3.39Å; E147-G247 VanDerWaalsContact CD-CA 3.45Å; E147-G247 WeakPolarHBondContact OE1-CA 3.2Å; E147-L251 HydrophobicContact CB-CD1 4.03Å; E147-L251 HydrophobicContact CB-CG 4.33Å |
| 148 | G | 93.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 43 Ų | 43 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | 61.8 | -124 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q146 K152 | Q146-G148 PolarHBondContact O-N 3.47Å; G148-K152 WeakPolarHBondContact O-CD 3.43Å; G148-K152 WeakPolarHBondContact O-CE 3.32Å; G148-K152 VanDerWaalsContact O-CG 3.23Å; G148-K152 WeakPolarHBondContact O-CG 3.46Å |
| 149 | R | 93.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -94.5 | -35 | -175.1 | -66.1 | 167.7 | 69.1 | -120.1 | 11.4 | 111.1 | G84 F85 A87 P88 L89 E147 K152 F153 | G84-R149 WeakPolarHBondContact O-CD 3.26Å; G84-R149 VanDerWaalsContact O-CZ 3.26Å; G84-R149 PolarHBondContact O-NE 2.86Å; G84-R149 PolarHBondContact O-NH2 3.43Å; F85-R149 PolarHBondContact O-NH2 2.83Å; A87-R149 VanDerWaalsContact O-CZ 3.26Å; A87-R149 PolarHBondContact O-NH1 3.32Å; A87-R149 PolarHBondContact O-NH2 3.36Å; P88-R149 PolarHBondContact O-NH1 3.13Å; L89-R149 HydrophobicContact CD2-CB 3.89Å; E147-R149 PolarHBondContact O-N 3.2Å; R149-K152 PolarHBondContact O-N 3.47Å; R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 3.05Å |
| 150 | E | 95 | Very high | 97 | Very high | 25 Ų | 25 | 49 Ų | 49 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -49.1 | 175.9 | -68 | 60.7 | -146.2 | 0 | 0 | 110.1 | L89 K90 Y91 I96 F153 M154 L251 | L89-E150 WeakPolarHBondContact CA-OE1 3.31Å; L89-E150 HydrophobicContact CB-CG 4.35Å; L89-E150 WeakPolarHBondContact CB-OE1 3.3Å; L89-E150 HydrophobicContact CD2-CG 4.35Å; L89-E150 WeakPolarHBondContact CD2-OE1 3.34Å; K90-E150 HydrophobicContact CB-CG 4.09Å; K90-E150 PolarHBondContact N-OE1 2.83Å; Y91-E150 HydrophobicContact CD2-CG 4.1Å; I96-E150 HydrophobicContact CD1-CB 4.16Å; I96-E150 HydrophobicContact CD1-CG 4.24Å; E150-F153 CarbonylContact O-C 3.42Å; E150-F153 WeakPolarHBondContact O-CA 3.43Å; E150-F153 WeakPolarHBondContact O-CB 3.43Å; E150-F153 PolarHBondContact O-N 3.13Å; E150-F153 VanDerWaalsContact O-N 3.13Å; E150-M154 PolarHBondContact O-N 2.59Å; E150-L251 HydrophobicContact CB-CD1 3.62Å; E150-L251 HydrophobicContact CB-CD2 3.91Å; E150-L251 HydrophobicContact CB-CG 4.45Å; E150-L251 HydrophobicContact CG-CD1 4.39Å |
| 151 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M144 E147 F153 M154 C155 | M144-G151 CarbonylContact O-C 3.51Å; M144-G151 VanDerWaalsContact O-C 3.26Å; M144-G151 WeakPolarHBondContact O-CA 3.45Å; E147-G151 WeakPolarHBondContact O-CA 3.48Å; E147-G151 PolarHBondContact O-N 3.39Å; G151-F153 VanDerWaalsContact C-N 3.26Å; G151-F153 PolarHBondContact O-N 2.75Å; G151-M154 WeakPolarHBondContact O-CB 3.3Å; G151-M154 PolarHBondContact O-N 3.18Å; G151-C155 WeakPolarHBondContact O-CB 3.34Å; G151-C155 PolarHBondContact O-N 3.44Å; G151-C155 PolarHBondContact O-SG 3.46Å |
| 152 | K | 96.5 | Very high | 97 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -29.2 | 171.9 | -71.5 | 170.4 | -167 | 165.2 | 0 | 112.7 | G148 R149 R156 | G148-K152 WeakPolarHBondContact O-CD 3.43Å; G148-K152 WeakPolarHBondContact O-CE 3.32Å; G148-K152 VanDerWaalsContact O-CG 3.23Å; G148-K152 WeakPolarHBondContact O-CG 3.46Å; R149-K152 PolarHBondContact O-N 3.47Å; K152-R156 WeakPolarHBondContact O-CG 3.33Å; K152-R156 PolarHBondContact O-N 2.84Å |
| 153 | F | 96.7 | Very high | 97.1 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 23% | 0.232 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.7 | -41.9 | 172.3 | -176.3 | -98.1 | 0 | 0 | 0 | 111.9 | L89 K93 I96 K97 R149 E150 G151 R156 Y157 | L89-F153 HydrophobicContact CD1-CB 4.17Å; L89-F153 HydrophobicContact CD1-CD1 4.12Å; L89-F153 HydrophobicContact CD1-CD2 4.44Å; L89-F153 HydrophobicContact CD1-CG 3.98Å; K93-F153 HydrophobicContact CB-CE1 3.84Å; K93-F153 HydrophobicContact CB-CZ 3.84Å; K93-F153 HydrophobicContact CD-CE2 4.32Å; K93-F153 HydrophobicContact CD-CZ 4.08Å; K93-F153 HydrophobicContact CG-CE1 3.92Å; K93-F153 HydrophobicContact CG-CE2 4.32Å; K93-F153 HydrophobicContact CG-CZ 3.78Å; I96-F153 HydrophobicContact CB-CD1 4.04Å; I96-F153 HydrophobicContact CB-CE1 4.32Å; I96-F153 HydrophobicContact CD1-CD1 4.24Å; I96-F153 HydrophobicContact CG2-CD1 3.79Å; I96-F153 HydrophobicContact CG2-CE1 4.44Å; K97-F153 HydrophobicContact CG-CE1 4.36Å; R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 3.05Å; E150-F153 CarbonylContact O-C 3.42Å; E150-F153 WeakPolarHBondContact O-CA 3.43Å; E150-F153 WeakPolarHBondContact O-CB 3.43Å; E150-F153 PolarHBondContact O-N 3.13Å; E150-F153 VanDerWaalsContact O-N 3.13Å; G151-F153 VanDerWaalsContact C-N 3.26Å; G151-F153 PolarHBondContact O-N 2.75Å; F153-R156 PolarHBondContact O-N 2.96Å; F153-Y157 PolarHBondContact O-N 2.9Å |
| 154 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 171.8 | 172.4 | 163.5 | -66.9 | 0 | 0 | 111.4 | I96 A99 A100 M103 M144 E150 G151 R156 Y157 I158 L251 | I96-M154 HydrophobicContact CG2-CB 3.68Å; I96-M154 HydrophobicContact CG2-CE 3.98Å; A99-M154 HydrophobicContact CB-CE 3.44Å; A99-M154 VanDerWaalsContact CB-CE 3.44Å; A100-M154 HydrophobicContact CB-CE 4.48Å; A100-M154 HydrophobicContact CB-CG 3.88Å; M103-M154 HydrophobicContact CE-SD 3.94Å; M103-M154 HydrophobicContact SD-SD 4.02Å; M144-M154 HydrophobicContact CE-SD 3.73Å; M144-M154 HydrophobicContact CG-CG 4.44Å; M144-M154 HydrophobicContact CG-SD 3.85Å; M144-M154 HydrophobicContact SD-SD 4.29Å; E150-M154 PolarHBondContact O-N 2.59Å; G151-M154 WeakPolarHBondContact O-CB 3.3Å; G151-M154 PolarHBondContact O-N 3.18Å; M154-R156 VanDerWaalsContact C-N 3.28Å; M154-R156 PolarHBondContact O-N 2.92Å; M154-Y157 PolarHBondContact O-N 3.03Å; M154-I158 HydrophobicContact CG-CD1 3.66Å; M154-I158 HydrophobicContact CG-CG1 4.16Å; M154-I158 WeakPolarHBondContact O-CG1 3.38Å; M154-I158 PolarHBondContact O-N 3.14Å; M154-I158 HydrophobicContact SD-CD1 4.37Å; M154-L251 HydrophobicContact CB-CD2 4.33Å; M154-L251 HydrophobicContact CE-CD2 4.09Å; M154-L251 HydrophobicContact SD-CD2 4.35Å |
| 155 | C | 98.5 | Very high | 97.1 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 8% | 0.081 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -50.3 | -45.5 | 178.5 | -74 | 0 | 0 | 0 | 0 | 112.8 | L141 G151 Y157 I158 V159 | L141-C155 HydrophobicContact CD2-CB 3.55Å; G151-C155 WeakPolarHBondContact O-CB 3.34Å; G151-C155 PolarHBondContact O-N 3.44Å; G151-C155 PolarHBondContact O-SG 3.46Å; C155-Y157 VanDerWaalsContact C-N 3.28Å; C155-Y157 PolarHBondContact O-N 3.37Å; C155-I158 PolarHBondContact O-N 3.22Å; C155-V159 WeakPolarHBondContact O-CG2 3.4Å; C155-V159 PolarHBondContact O-N 3.42Å; C155-V159 VanDerWaalsContact O-N 3.14Å |
| 156 | R | 98.1 | Very high | 97.2 | Very high | 196 Ų | 196 | 49.4 Ų | 49.4 | 74% | 0.74 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.1 | -34.7 | 178 | -72.1 | 173 | -178.6 | -159.2 | 0.1 | 112.6 | K152 F153 M154 H160 | K152-R156 WeakPolarHBondContact O-CG 3.33Å; K152-R156 PolarHBondContact O-N 2.84Å; F153-R156 PolarHBondContact O-N 2.96Å; M154-R156 VanDerWaalsContact C-N 3.28Å; M154-R156 PolarHBondContact O-N 2.92Å; R156-H160 WeakPolarHBondContact O-CB 3.5Å; R156-H160 PolarHBondContact O-N 3.17Å; R156-H160 VanDerWaalsContact O-N 3.14Å |
| 157 | Y | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -82.8 | -33.1 | -179.1 | -158 | -106.4 | 0 | 0 | 0 | 112.7 | K97 A100 L101 F153 M154 C155 V159 H160 S161 | K97-Y157 HydrophobicContact CB-CD1 4.01Å; K97-Y157 HydrophobicContact CB-CE1 3.8Å; K97-Y157 HydrophobicContact CB-CG 4.5Å; K97-Y157 HydrophobicContact CD-CD2 4.19Å; K97-Y157 HydrophobicContact CD-CE1 4.29Å; K97-Y157 HydrophobicContact CD-CE2 3.81Å; K97-Y157 HydrophobicContact CG-CD1 3.94Å; K97-Y157 HydrophobicContact CG-CD2 3.95Å; K97-Y157 HydrophobicContact CG-CE1 3.91Å; K97-Y157 HydrophobicContact CG-CE2 4Å; K97-Y157 HydrophobicContact CG-CG 3.93Å; K97-Y157 WeakPolarHBondContact O-CD1 3.43Å; K97-Y157 WeakPolarHBondContact O-CE1 3.4Å; A100-Y157 HydrophobicContact CB-CD1 3.74Å; A100-Y157 HydrophobicContact CB-CG 4.29Å; L101-Y157 HydrophobicContact CB-CE1 4.45Å; F153-Y157 PolarHBondContact O-N 2.9Å; M154-Y157 PolarHBondContact O-N 3.03Å; C155-Y157 VanDerWaalsContact C-N 3.28Å; C155-Y157 PolarHBondContact O-N 3.37Å; Y157-V159 VanDerWaalsContact C-N 3.35Å; Y157-V159 PolarHBondContact O-N 3.22Å; Y157-H160 HydrophobicContact CD2-CB 4.42Å; Y157-H160 WeakPolarHBondContact O-CB 3.18Å; Y157-H160 PolarHBondContact O-N 3.23Å; Y157-S161 PolarHBondContact O-N 3.43Å; Y157-S161 PolarHBondContact O-OG 3.34Å |
| 158 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 169.4 | -63.5 | 167.6 | 0 | 0 | 0 | 110.1 | A100 M103 Y104 V137 L141 M154 C155 H160 S161 M162 | A100-I158 HydrophobicContact CB-CG1 3.98Å; M103-I158 HydrophobicContact CB-CD1 4.34Å; M103-I158 HydrophobicContact CG-CD1 4.09Å; M103-I158 HydrophobicContact SD-CD1 3.48Å; M103-I158 WeakPolarHBondContact SD-CD1 3.47Å; Y104-I158 HydrophobicContact CD2-CG2 4.47Å; V137-I158 HydrophobicContact CG1-CG2 3.87Å; V137-I158 HydrophobicContact CG2-CG2 4.24Å; L141-I158 HydrophobicContact CD2-CB 4.43Å; M154-I158 HydrophobicContact CG-CD1 3.66Å; M154-I158 HydrophobicContact CG-CG1 4.16Å; M154-I158 WeakPolarHBondContact O-CG1 3.38Å; M154-I158 PolarHBondContact O-N 3.14Å; M154-I158 HydrophobicContact SD-CD1 4.37Å; C155-I158 PolarHBondContact O-N 3.22Å; I158-H160 VanDerWaalsContact C-N 3.32Å; I158-H160 PolarHBondContact O-N 2.83Å; I158-S161 PolarHBondContact O-N 2.93Å; I158-M162 PolarHBondContact O-N 3.13Å |
| 159 | V | 98.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | L141 C155 Y157 M162 W163 F191 | L141-V159 HydrophobicContact CD1-CG2 3.72Å; L141-V159 HydrophobicContact CD2-CG2 4.04Å; L141-V159 HydrophobicContact CG-CG2 4.49Å; C155-V159 WeakPolarHBondContact O-CG2 3.4Å; C155-V159 PolarHBondContact O-N 3.42Å; C155-V159 VanDerWaalsContact O-N 3.14Å; Y157-V159 VanDerWaalsContact C-N 3.35Å; Y157-V159 PolarHBondContact O-N 3.22Å; V159-M162 PolarHBondContact O-N 2.84Å; V159-W163 PolarHBondContact O-N 3.33Å; V159-F191 HydrophobicContact CG1-CE1 4.14Å; V159-F191 HydrophobicContact CG1-CZ 4.45Å; V159-F191 HydrophobicContact CG2-CE1 4.32Å; V159-F191 HydrophobicContact CG2-CZ 4.02Å |
| 160 | H | 98.2 | Very high | 97.4 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -53.4 | 174.4 | -170.3 | -77.1 | 0 | 0 | 0 | 111.3 | R156 Y157 I158 M162 W163 E164 | R156-H160 WeakPolarHBondContact O-CB 3.5Å; R156-H160 PolarHBondContact O-N 3.17Å; R156-H160 VanDerWaalsContact O-N 3.14Å; Y157-H160 HydrophobicContact CD2-CB 4.42Å; Y157-H160 WeakPolarHBondContact O-CB 3.18Å; Y157-H160 PolarHBondContact O-N 3.23Å; I158-H160 VanDerWaalsContact C-N 3.32Å; I158-H160 PolarHBondContact O-N 2.83Å; H160-M162 VanDerWaalsContact C-N 3.28Å; H160-M162 PolarHBondContact O-N 3.13Å; H160-W163 PolarHBondContact O-N 3.09Å; H160-W163 VanDerWaalsContact O-N 3.13Å; H160-E164 IonicContact CE1-OE1 2.9Å; H160-E164 PolarHBondContact CE1-OE1 3.02Å; H160-E164 VanDerWaalsContact CE1-OE1 3.26Å; H160-E164 IonicContact CE1-OE2 3.76Å; H160-E164 PolarHBondContact CE1-OE2 3.49Å; H160-E164 IonicContact CG-OE2 2.87Å; H160-E164 IonicContact ND1-OE1 2.59Å; H160-E164 IonicContact ND1-OE2 3.91Å; H160-E164 PolarHBondContact ND1-OE2 3.34Å; H160-E164 WeakPolarHBondContact O-CG 3.49Å; H160-E164 PolarHBondContact O-N 2.9Å |
| 161 | S | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -31.8 | 179.5 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | Y157 I158 E164 D165 | Y157-S161 PolarHBondContact O-N 3.43Å; Y157-S161 PolarHBondContact O-OG 3.34Å; I158-S161 PolarHBondContact O-N 2.93Å; S161-E164 WeakPolarHBondContact CA-OE2 3.47Å; S161-D165 WeakPolarHBondContact O-CB 3.49Å; S161-D165 PolarHBondContact O-N 2.91Å |
| 162 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 171.1 | -172.9 | -172.4 | 74.2 | 0 | 0 | 112.4 | Y104 F130 Q134 V137 I158 V159 H160 D165 V166 F191 | Y104-M162 HydrophobicContact CD2-CB 4.07Å; Y104-M162 VanDerWaalsContact CE2-CA 3.49Å; Y104-M162 HydrophobicContact CE2-CB 3.56Å; Y104-M162 HydrophobicContact CE2-CG 3.82Å; F130-M162 HydrophobicContact CE2-CE 4.03Å; F130-M162 HydrophobicContact CE2-SD 4.16Å; Q134-M162 HydrophobicContact CB-SD 4.47Å; V137-M162 HydrophobicContact CB-SD 4.22Å; V137-M162 HydrophobicContact CG1-SD 4.05Å; V137-M162 HydrophobicContact CG2-SD 4.08Å; I158-M162 PolarHBondContact O-N 3.13Å; V159-M162 PolarHBondContact O-N 2.84Å; H160-M162 VanDerWaalsContact C-N 3.28Å; H160-M162 PolarHBondContact O-N 3.13Å; M162-D165 PolarHBondContact O-N 3.24Å; M162-V166 VanDerWaalsContact O-CG2 3.28Å; M162-V166 WeakPolarHBondContact O-CG2 3.46Å; M162-V166 PolarHBondContact O-N 3.02Å; M162-F191 HydrophobicContact CE-CD1 4.42Å; M162-F191 HydrophobicContact CE-CD2 3.84Å; M162-F191 HydrophobicContact CE-CE1 4.19Å; M162-F191 HydrophobicContact CE-CE2 3.6Å; M162-F191 HydrophobicContact CE-CG 4.25Å; M162-F191 HydrophobicContact CE-CZ 3.78Å; M162-F191 HydrophobicContact SD-CD2 4.47Å; M162-F191 HydrophobicContact SD-CE2 4Å; M162-F191 HydrophobicContact SD-CZ 4.5Å |
| 163 | W | 98.3 | Very high | 97 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.3 | -33.2 | 179.9 | -66.7 | 123.5 | 0 | 0 | 0 | 113.3 | F130 V159 H160 D165 V166 E167 M187 F191 | F130-W163 AromaticContact CE2-CH2 3.7Å; F130-W163 HydrophobicContact CE2-CH2 3.7Å; F130-W163 AromaticContact CE2-CZ3 3.67Å; F130-W163 HydrophobicContact CE2-CZ3 3.67Å; F130-W163 AromaticContact CZ-CH2 3.54Å; F130-W163 HydrophobicContact CZ-CH2 3.54Å; F130-W163 HydrophobicContact CZ-CZ2 4.46Å; F130-W163 AromaticContact CZ-CZ3 3.91Å; F130-W163 HydrophobicContact CZ-CZ3 3.91Å; V159-W163 PolarHBondContact O-N 3.33Å; H160-W163 PolarHBondContact O-N 3.09Å; H160-W163 VanDerWaalsContact O-N 3.13Å; W163-D165 VanDerWaalsContact C-N 3.34Å; W163-V166 HydrophobicContact CE3-CB 4.19Å; W163-V166 HydrophobicContact CE3-CG1 4.25Å; W163-V166 HydrophobicContact CE3-CG2 4.2Å; W163-V166 HydrophobicContact CZ3-CG1 4.39Å; W163-V166 HydrophobicContact CZ3-CG2 4.4Å; W163-V166 PolarHBondContact O-N 3.34Å; W163-E167 PolarHBondContact O-N 3.19Å; W163-M187 HydrophobicContact CH2-CB 4.17Å; W163-M187 HydrophobicContact CZ3-CB 4Å; W163-F191 HydrophobicContact CH2-CB 4.09Å; W163-F191 HydrophobicContact CH2-CG 4.43Å; W163-F191 HydrophobicContact CZ2-CB 3.92Å; W163-F191 AromaticContact CZ2-CD1 3.85Å; W163-F191 HydrophobicContact CZ2-CD1 3.85Å; W163-F191 AromaticContact CZ2-CG 3.88Å; W163-F191 HydrophobicContact CZ2-CG 3.88Å |
| 164 | E | 98 | Very high | 96.9 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.1 | -45 | 170.5 | -71.8 | 174.6 | 120.5 | 0 | 0 | 111.4 | H160 S161 E167 Q168 | H160-E164 IonicContact CE1-OE1 2.9Å; H160-E164 PolarHBondContact CE1-OE1 3.02Å; H160-E164 VanDerWaalsContact CE1-OE1 3.26Å; H160-E164 IonicContact CE1-OE2 3.76Å; H160-E164 PolarHBondContact CE1-OE2 3.49Å; H160-E164 IonicContact CG-OE2 2.87Å; H160-E164 IonicContact ND1-OE1 2.59Å; H160-E164 IonicContact ND1-OE2 3.91Å; H160-E164 PolarHBondContact ND1-OE2 3.34Å; H160-E164 WeakPolarHBondContact O-CG 3.49Å; H160-E164 PolarHBondContact O-N 2.9Å; S161-E164 WeakPolarHBondContact CA-OE2 3.47Å; E164-E167 PolarHBondContact O-N 3.48Å; E164-Q168 WeakPolarHBondContact O-CB 3.42Å; E164-Q168 PolarHBondContact O-N 2.86Å |
| 165 | D | 97.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.1 | -37.9 | 179.8 | -166.8 | 21.9 | 0 | 0 | 0 | 112.5 | Y104 S161 M162 W163 E167 Q168 R169 | Y104-D165 HydrophobicContact CE1-CB 3.91Å; Y104-D165 WeakPolarHBondContact OH-CB 3.35Å; Y104-D165 PolarHBondContact OH-OD2 3.49Å; S161-D165 WeakPolarHBondContact O-CB 3.49Å; S161-D165 PolarHBondContact O-N 2.91Å; M162-D165 PolarHBondContact O-N 3.24Å; W163-D165 VanDerWaalsContact C-N 3.34Å; D165-E167 VanDerWaalsContact C-N 3.34Å; D165-E167 PolarHBondContact O-N 2.75Å; D165-Q168 PolarHBondContact O-N 3.4Å; D165-R169 WeakPolarHBondContact O-CB 3.49Å; D165-R169 WeakPolarHBondContact O-CG 3.24Å; D165-R169 PolarHBondContact O-N 3.45Å; D165-R169 WeakPolarHBondContact OD1-CG 3.18Å; D165-R169 IonicContact OD1-CZ 3.31Å; D165-R169 IonicContact OD1-NE 3.94Å; D165-R169 PolarHBondContact OD1-NE 3.44Å; D165-R169 IonicContact OD1-NH2 3.37Å; D165-R169 IonicContact OD2-CZ 3.01Å; D165-R169 IonicContact OD2-NE 2.75Å; D165-R169 PolarHBondContact OD2-NE 3.4Å; D165-R169 IonicContact OD2-NH2 2.7Å; D165-R169 PolarHBondContact OD2-NH2 2.93Å |
| 166 | V | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 170.2 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | W129 F130 M162 W163 S170 M184 M187 | W129-V166 HydrophobicContact CH2-CG2 4.39Å; W129-V166 HydrophobicContact CZ3-CG2 3.9Å; F130-V166 HydrophobicContact CD2-CG2 3.65Å; F130-V166 HydrophobicContact CE2-CG2 4.12Å; M162-V166 VanDerWaalsContact O-CG2 3.28Å; M162-V166 WeakPolarHBondContact O-CG2 3.46Å; M162-V166 PolarHBondContact O-N 3.02Å; W163-V166 HydrophobicContact CE3-CB 4.19Å; W163-V166 HydrophobicContact CE3-CG1 4.25Å; W163-V166 HydrophobicContact CE3-CG2 4.2Å; W163-V166 HydrophobicContact CZ3-CG1 4.39Å; W163-V166 HydrophobicContact CZ3-CG2 4.4Å; W163-V166 PolarHBondContact O-N 3.34Å; V166-S170 WeakPolarHBondContact O-CB 3.31Å; V166-S170 PolarHBondContact O-N 3.24Å; V166-S170 VanDerWaalsContact O-N 3.1Å; V166-S170 PolarHBondContact O-OG 3.5Å; V166-M184 HydrophobicContact CG1-CG 4.27Å; V166-M187 HydrophobicContact CG1-SD 3.89Å |
| 167 | E | 96.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.7 | -149.4 | -146.8 | 164.3 | 0 | 0 | 111.9 | W163 E164 D165 S170 K171 R180 M184 | W163-E167 PolarHBondContact O-N 3.19Å; E164-E167 PolarHBondContact O-N 3.48Å; D165-E167 VanDerWaalsContact C-N 3.34Å; D165-E167 PolarHBondContact O-N 2.75Å; E167-S170 WeakPolarHBondContact CA-OG 3.32Å; E167-S170 PolarHBondContact O-OG 3.16Å; E167-S170 VanDerWaalsContact O-OG 3.04Å; E167-K171 WeakPolarHBondContact O-CD 3.44Å; E167-K171 WeakPolarHBondContact O-CG 3.38Å; E167-K171 PolarHBondContact O-N 3.27Å; E167-K171 VanDerWaalsContact O-N 3.14Å; E167-K171 WeakPolarHBondContact OE1-CE 3.48Å; E167-K171 IonicContact OE1-NZ 3.63Å; E167-K171 PolarHBondContact OE1-NZ 3.48Å; E167-K171 IonicContact OE2-NZ 2.92Å; E167-K171 PolarHBondContact OE2-NZ 3.35Å; E167-R180 IonicContact OE1-NE 3.26Å; E167-M184 HydrophobicContact CB-CE 4.11Å; E167-M184 HydrophobicContact CB-SD 4.22Å; E167-M184 HydrophobicContact CG-CE 4.22Å; E167-M184 HydrophobicContact CG-SD 3.8Å |
| 168 | Q | 96.1 | Very high | 96.2 | Very high | 115 Ų | 115 | 54 Ų | 54 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.9 | -47.2 | 176.9 | -175.4 | 172.8 | -107.5 | 0 | 0 | 112.3 | E164 D165 K171 I172 | E164-Q168 WeakPolarHBondContact O-CB 3.42Å; E164-Q168 PolarHBondContact O-N 2.86Å; D165-Q168 PolarHBondContact O-N 3.4Å; Q168-K171 WeakPolarHBondContact O-CB 3.32Å; Q168-K171 PolarHBondContact O-N 3.18Å; Q168-I172 HydrophobicContact CG-CD1 3.87Å; Q168-I172 WeakPolarHBondContact O-CG1 3.42Å; Q168-I172 PolarHBondContact O-N 3.31Å |
| 169 | R | 95.5 | Very high | 96 | Very high | 37 Ų | 37 | 59 Ų | 59 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 179.4 | -68.1 | -177.7 | -162.4 | -128.5 | 3.4 | 111.7 | Y2 L6 L126 W129 D165 K171 I172 M173 | Y2-R169 PolarHBondContact OH-NH1 2.8Å; L6-R169 HydrophobicContact CD1-CG 4.44Å; L6-R169 HydrophobicContact CD2-CG 4.13Å; L126-R169 HydrophobicContact CD1-CB 3.81Å; W129-R169 VanDerWaalsContact CZ2-CZ 3.45Å; D165-R169 WeakPolarHBondContact O-CB 3.49Å; D165-R169 WeakPolarHBondContact O-CG 3.24Å; D165-R169 PolarHBondContact O-N 3.45Å; D165-R169 WeakPolarHBondContact OD1-CG 3.18Å; D165-R169 IonicContact OD1-CZ 3.31Å; D165-R169 IonicContact OD1-NE 3.94Å; D165-R169 PolarHBondContact OD1-NE 3.44Å; D165-R169 IonicContact OD1-NH2 3.37Å; D165-R169 IonicContact OD2-CZ 3.01Å; D165-R169 IonicContact OD2-NE 2.75Å; D165-R169 PolarHBondContact OD2-NE 3.4Å; D165-R169 IonicContact OD2-NH2 2.7Å; D165-R169 PolarHBondContact OD2-NH2 2.93Å; R169-K171 PolarHBondContact O-N 3.45Å; R169-I172 PolarHBondContact O-N 2.79Å; R169-M173 WeakPolarHBondContact O-CB 3.37Å; R169-M173 VanDerWaalsContact O-CG 3.29Å; R169-M173 WeakPolarHBondContact O-CG 3.33Å; R169-M173 PolarHBondContact O-N 3.36Å |
| 170 | S | 95.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -35.9 | 174 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | V166 E167 G174 I175 R180 | V166-S170 WeakPolarHBondContact O-CB 3.31Å; V166-S170 PolarHBondContact O-N 3.24Å; V166-S170 VanDerWaalsContact O-N 3.1Å; V166-S170 PolarHBondContact O-OG 3.5Å; E167-S170 WeakPolarHBondContact CA-OG 3.32Å; E167-S170 PolarHBondContact O-OG 3.16Å; E167-S170 VanDerWaalsContact O-OG 3.04Å; S170-G174 PolarHBondContact O-N 3.12Å; S170-I175 WeakPolarHBondContact O-CB 3.4Å; S170-I175 PolarHBondContact O-N 3.17Å; S170-R180 WeakPolarHBondContact OG-CD 3.15Å; S170-R180 WeakPolarHBondContact OG-CG 3.47Å |
| 171 | K | 94.9 | Very high | 95.6 | Very high | 102 Ų | 102 | 62.9 Ų | 62.9 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 168.6 | -72 | 163.2 | -174.8 | 164.9 | 0 | 112.1 | E167 Q168 R169 M173 G174 | E167-K171 WeakPolarHBondContact O-CD 3.44Å; E167-K171 WeakPolarHBondContact O-CG 3.38Å; E167-K171 PolarHBondContact O-N 3.27Å; E167-K171 VanDerWaalsContact O-N 3.14Å; E167-K171 WeakPolarHBondContact OE1-CE 3.48Å; E167-K171 IonicContact OE1-NZ 3.63Å; E167-K171 PolarHBondContact OE1-NZ 3.48Å; E167-K171 IonicContact OE2-NZ 2.92Å; E167-K171 PolarHBondContact OE2-NZ 3.35Å; Q168-K171 WeakPolarHBondContact O-CB 3.32Å; Q168-K171 PolarHBondContact O-N 3.18Å; R169-K171 PolarHBondContact O-N 3.45Å; K171-M173 VanDerWaalsContact C-N 3.27Å; K171-M173 PolarHBondContact O-N 3.23Å; K171-G174 PolarHBondContact O-N 2.68Å |
| 172 | I | 94.3 | Very high | 95.6 | Very high | 74 Ų | 74 | 68 Ų | 68 | 38% | 0.379 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 179 | -70.5 | 166.6 | 0 | 0 | 0 | 111.9 | L6 A9 Q168 R169 G174 | L6-I172 HydrophobicContact CD2-CD1 4.45Å; L6-I172 HydrophobicContact CD2-CG2 4.02Å; A9-I172 HydrophobicContact CB-CG2 3.91Å; Q168-I172 HydrophobicContact CG-CD1 3.87Å; Q168-I172 WeakPolarHBondContact O-CG1 3.42Å; Q168-I172 PolarHBondContact O-N 3.31Å; R169-I172 PolarHBondContact O-N 2.79Å; I172-G174 PolarHBondContact O-N 3Å |
| 173 | M | 92 | Very high | 95.4 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.7 | 175.7 | -70.7 | 177.8 | 67.4 | 0 | 0 | 114.2 | Y2 P5 L126 R169 K171 I175 | Y2-M173 HydrophobicContact CD2-CE 4.31Å; Y2-M173 HydrophobicContact CD2-SD 3.61Å; Y2-M173 HydrophobicContact CE2-SD 4.38Å; Y2-M173 HydrophobicContact CG-SD 4.46Å; P5-M173 HydrophobicContact CB-CG 4.35Å; L126-M173 HydrophobicContact CB-CE 4.16Å; L126-M173 HydrophobicContact CB-SD 3.89Å; L126-M173 HydrophobicContact CD1-SD 4.14Å; L126-M173 HydrophobicContact CD2-SD 4.43Å; L126-M173 HydrophobicContact CG-SD 4.38Å; R169-M173 WeakPolarHBondContact O-CB 3.37Å; R169-M173 VanDerWaalsContact O-CG 3.29Å; R169-M173 WeakPolarHBondContact O-CG 3.33Å; R169-M173 PolarHBondContact O-N 3.36Å; K171-M173 VanDerWaalsContact C-N 3.27Å; K171-M173 PolarHBondContact O-N 3.23Å; M173-I175 HydrophobicContact CB-CD1 4.42Å; M173-I175 HydrophobicContact CB-CG1 4.15Å |
| 174 | G | 92.7 | Very high | 95.3 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 22.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S170 K171 I172 D176 | S170-G174 PolarHBondContact O-N 3.12Å; K171-G174 PolarHBondContact O-N 2.68Å; I172-G174 PolarHBondContact O-N 3Å; G174-D176 PolarHBondContact O-N 2.85Å |
| 175 | I | 93.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | trans | -72.9 | 125 | 179.2 | -54.4 | 179.5 | 0 | 0 | 0 | 109.4 | L126 S170 M173 H179 R180 | L126-I175 HydrophobicContact CD2-CD1 3.93Å; S170-I175 WeakPolarHBondContact O-CB 3.4Å; S170-I175 PolarHBondContact O-N 3.17Å; M173-I175 HydrophobicContact CB-CD1 4.42Å; M173-I175 HydrophobicContact CB-CG1 4.15Å; I175-H179 HydrophobicContact CG2-CB 3.93Å; I175-R180 HydrophobicContact CG2-CB 4.04Å; I175-R180 PolarHBondContact O-NH1 2.84Å | ||
| 176 | D | 95.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | trans | -53 | 153.8 | -178.9 | -54.7 | -73.7 | 0 | 0 | 0 | 113.1 | G174 I178 H179 R180 | G174-D176 PolarHBondContact O-N 2.85Å; D176-I178 PolarHBondContact O-N 3.11Å; D176-H179 HydrophobicContact CB-CB 4.42Å; D176-H179 PolarHBondContact O-N 3.31Å; D176-H179 IonicContact OD2-CE1 2.98Å; D176-H179 IonicContact OD2-ND1 3.51Å; D176-H179 PolarHBondContact OD2-ND1 2.99Å; D176-R180 WeakPolarHBondContact O-CB 3.43Å; D176-R180 PolarHBondContact O-N 3.42Å | ||
| 177 | A | 94.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 55% | 0.554 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60 | -30.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K181 | A177-K181 WeakPolarHBondContact O-CB 3.49Å; A177-K181 PolarHBondContact O-N 2.86Å |
| 178 | I | 96.1 | Very high | 95.2 | Very high | 116 Ų | 116 | 71.8 Ų | 71.8 | 60% | 0.595 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -73.7 | -61.4 | 177.5 | -62.1 | 169 | 0 | 0 | 0 | 109.5 | D176 R180 K181 E182 | D176-I178 PolarHBondContact O-N 3.11Å; I178-R180 PolarHBondContact O-N 3.46Å; I178-K181 WeakPolarHBondContact O-CB 3.12Å; I178-K181 PolarHBondContact O-N 3.22Å; I178-E182 PolarHBondContact O-N 3.4Å |
| 179 | H | 93.9 | Very high | 95.2 | Very high | 104 Ų | 104 | 71.5 Ų | 71.5 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.1 | -36.7 | 178.1 | -60.4 | 133.3 | 0 | 0 | 0 | 113 | I175 D176 E182 A183 | I175-H179 HydrophobicContact CG2-CB 3.93Å; D176-H179 HydrophobicContact CB-CB 4.42Å; D176-H179 PolarHBondContact O-N 3.31Å; D176-H179 IonicContact OD2-CE1 2.98Å; D176-H179 IonicContact OD2-ND1 3.51Å; D176-H179 PolarHBondContact OD2-ND1 2.99Å; H179-E182 IonicContact CD2-OE2 3.99Å; H179-E182 PolarHBondContact O-N 3.14Å; H179-A183 VanDerWaalsContact O-CB 3.25Å; H179-A183 WeakPolarHBondContact O-CB 3.23Å; H179-A183 PolarHBondContact O-N 3.03Å |
| 180 | R | 94.3 | Very high | 95.3 | Very high | 45 Ų | 45 | 71.3 Ų | 71.3 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 174.7 | -178.2 | 171.9 | 67.9 | -103.9 | 4.7 | 112.1 | E167 S170 I175 D176 I178 E182 A183 M184 | E167-R180 IonicContact OE1-NE 3.26Å; S170-R180 WeakPolarHBondContact OG-CD 3.15Å; S170-R180 WeakPolarHBondContact OG-CG 3.47Å; I175-R180 HydrophobicContact CG2-CB 4.04Å; I175-R180 PolarHBondContact O-NH1 2.84Å; D176-R180 WeakPolarHBondContact O-CB 3.43Å; D176-R180 PolarHBondContact O-N 3.42Å; I178-R180 PolarHBondContact O-N 3.46Å; R180-E182 VanDerWaalsContact C-N 3.34Å; R180-A183 PolarHBondContact O-N 3.17Å; R180-M184 HydrophobicContact CG-SD 4.3Å; R180-M184 WeakPolarHBondContact O-CB 3.42Å; R180-M184 VanDerWaalsContact O-CG 3.3Å; R180-M184 WeakPolarHBondContact O-CG 3.27Å; R180-M184 PolarHBondContact O-N 2.7Å |
| 181 | K | 95.4 | Very high | 95.4 | Very high | 164 Ų | 164 | 71.4 Ų | 71.4 | 71% | 0.713 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 177.4 | -176.9 | -174.4 | 176.5 | -172.2 | 0 | 111.4 | A177 I178 K185 | A177-K181 WeakPolarHBondContact O-CB 3.49Å; A177-K181 PolarHBondContact O-N 2.86Å; I178-K181 WeakPolarHBondContact O-CB 3.12Å; I178-K181 PolarHBondContact O-N 3.22Å; K181-K185 PolarHBondContact O-N 3.23Å; K181-K185 VanDerWaalsContact O-N 3.11Å |
| 182 | E | 96.4 | Very high | 95.5 | Very high | 113 Ų | 113 | 72.9 Ų | 72.9 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.1 | -46.7 | 177.3 | -68.1 | 165.8 | 164.8 | 0 | 0 | 111.4 | I178 H179 R180 M184 K185 A186 | I178-E182 PolarHBondContact O-N 3.4Å; H179-E182 IonicContact CD2-OE2 3.99Å; H179-E182 PolarHBondContact O-N 3.14Å; R180-E182 VanDerWaalsContact C-N 3.34Å; E182-M184 PolarHBondContact O-N 2.95Å; E182-K185 WeakPolarHBondContact O-CB 3.48Å; E182-K185 PolarHBondContact O-N 3.49Å; E182-A186 PolarHBondContact O-N 3.5Å |
| 183 | A | 95 | Very high | 95.6 | Very high | 36 Ų | 36 | 71.6 Ų | 71.6 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H179 R180 K185 A186 M187 | H179-A183 VanDerWaalsContact O-CB 3.25Å; H179-A183 WeakPolarHBondContact O-CB 3.23Å; H179-A183 PolarHBondContact O-N 3.03Å; R180-A183 PolarHBondContact O-N 3.17Å; A183-K185 VanDerWaalsContact C-N 3.32Å; A183-K185 PolarHBondContact O-N 3.19Å; A183-A186 PolarHBondContact O-N 3.11Å; A183-M187 WeakPolarHBondContact O-CB 3.26Å; A183-M187 VanDerWaalsContact O-CG 3.26Å; A183-M187 WeakPolarHBondContact O-CG 3.44Å; A183-M187 PolarHBondContact O-N 3.39Å |
| 184 | M | 96.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 69.4 Ų | 69.4 | 22% | 0.222 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 176 | -73.9 | -175.6 | 82.1 | 0 | 0 | 112.6 | V166 E167 R180 E182 T188 | V166-M184 HydrophobicContact CG1-CG 4.27Å; E167-M184 HydrophobicContact CB-CE 4.11Å; E167-M184 HydrophobicContact CB-SD 4.22Å; E167-M184 HydrophobicContact CG-CE 4.22Å; E167-M184 HydrophobicContact CG-SD 3.8Å; R180-M184 HydrophobicContact CG-SD 4.3Å; R180-M184 WeakPolarHBondContact O-CB 3.42Å; R180-M184 VanDerWaalsContact O-CG 3.3Å; R180-M184 WeakPolarHBondContact O-CG 3.27Å; R180-M184 PolarHBondContact O-N 2.7Å; E182-M184 PolarHBondContact O-N 2.95Å; M184-T188 WeakPolarHBondContact O-CB 3.39Å; M184-T188 PolarHBondContact O-N 3.43Å; M184-T188 PolarHBondContact O-OG1 3.14Å |
| 185 | K | 96.9 | Very high | 96.1 | Very high | 122 Ų | 122 | 67.2 Ų | 67.2 | 53% | 0.53 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -50.6 | 172.4 | -179.3 | -176.3 | 174.7 | -69.5 | 0 | 110.8 | K181 E182 A183 T188 E189 | K181-K185 PolarHBondContact O-N 3.23Å; K181-K185 VanDerWaalsContact O-N 3.11Å; E182-K185 WeakPolarHBondContact O-CB 3.48Å; E182-K185 PolarHBondContact O-N 3.49Å; A183-K185 VanDerWaalsContact C-N 3.32Å; A183-K185 PolarHBondContact O-N 3.19Å; K185-T188 WeakPolarHBondContact O-CB 3.5Å; K185-T188 PolarHBondContact O-N 3.19Å; K185-T188 VanDerWaalsContact O-N 3.17Å; K185-E189 WeakPolarHBondContact CE-OE1 3.01Å; K185-E189 IonicContact NZ-OE1 2.85Å; K185-E189 PolarHBondContact NZ-OE1 3.37Å; K185-E189 IonicContact NZ-OE2 2.91Å; K185-E189 PolarHBondContact NZ-OE2 3.32Å; K185-E189 WeakPolarHBondContact O-CG 3.43Å; K185-E189 PolarHBondContact O-N 2.96Å |
| 186 | A | 95.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E182 A183 T188 E189 T190 | E182-A186 PolarHBondContact O-N 3.5Å; A183-A186 PolarHBondContact O-N 3.11Å; A186-T188 VanDerWaalsContact C-N 3.27Å; A186-T188 PolarHBondContact O-N 2.99Å; A186-E189 PolarHBondContact O-N 3.38Å; A186-E189 VanDerWaalsContact O-N 3.11Å; A186-T190 PolarHBondContact O-N 3.23Å; A186-T190 PolarHBondContact O-OG1 3.09Å |
| 187 | M | 97.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 67.4 Ų | 67.4 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -35.8 | 175.1 | -71.9 | 170.6 | 175.1 | 0 | 0 | 112.5 | L126 N127 F130 W163 V166 A183 F191 | L126-M187 HydrophobicContact CD2-CE 4.4Å; L126-M187 HydrophobicContact CG-CE 4.21Å; N127-M187 HydrophobicContact CB-CE 4.31Å; F130-M187 HydrophobicContact CB-CE 4.39Å; F130-M187 HydrophobicContact CD1-CB 4.06Å; F130-M187 HydrophobicContact CD1-CG 3.78Å; F130-M187 HydrophobicContact CD1-SD 4.36Å; F130-M187 HydrophobicContact CE1-CB 3.69Å; F130-M187 HydrophobicContact CE1-CG 3.95Å; F130-M187 HydrophobicContact CG-CG 4.29Å; F130-M187 HydrophobicContact CG-SD 4.27Å; F130-M187 HydrophobicContact CZ-CB 3.97Å; W163-M187 HydrophobicContact CH2-CB 4.17Å; W163-M187 HydrophobicContact CZ3-CB 4Å; V166-M187 HydrophobicContact CG1-SD 3.89Å; A183-M187 WeakPolarHBondContact O-CB 3.26Å; A183-M187 VanDerWaalsContact O-CG 3.26Å; A183-M187 WeakPolarHBondContact O-CG 3.44Å; A183-M187 PolarHBondContact O-N 3.39Å; M187-F191 VanDerWaalsContact O-CB 3.3Å; M187-F191 WeakPolarHBondContact O-CB 3.42Å; M187-F191 PolarHBondContact O-N 2.88Å |
| 188 | T | 97.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.2 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | M184 K185 A186 F191 Y192 | M184-T188 WeakPolarHBondContact O-CB 3.39Å; M184-T188 PolarHBondContact O-N 3.43Å; M184-T188 PolarHBondContact O-OG1 3.14Å; K185-T188 WeakPolarHBondContact O-CB 3.5Å; K185-T188 PolarHBondContact O-N 3.19Å; K185-T188 VanDerWaalsContact O-N 3.17Å; A186-T188 VanDerWaalsContact C-N 3.27Å; A186-T188 PolarHBondContact O-N 2.99Å; T188-F191 PolarHBondContact O-N 2.9Å; T188-Y192 HydrophobicContact CG2-CD2 3.97Å; T188-Y192 HydrophobicContact CG2-CE2 3.62Å; T188-Y192 WeakPolarHBondContact O-CD2 3.45Å; T188-Y192 PolarHBondContact O-N 3.02Å |
| 189 | E | 96.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 176.7 | -71.2 | 168.5 | 162.7 | 0 | 0 | 110.8 | K185 A186 F191 Y192 A193 | K185-E189 WeakPolarHBondContact CE-OE1 3.01Å; K185-E189 IonicContact NZ-OE1 2.85Å; K185-E189 PolarHBondContact NZ-OE1 3.37Å; K185-E189 IonicContact NZ-OE2 2.91Å; K185-E189 PolarHBondContact NZ-OE2 3.32Å; K185-E189 WeakPolarHBondContact O-CG 3.43Å; K185-E189 PolarHBondContact O-N 2.96Å; A186-E189 PolarHBondContact O-N 3.38Å; A186-E189 VanDerWaalsContact O-N 3.11Å; E189-F191 PolarHBondContact O-N 2.97Å; E189-Y192 PolarHBondContact O-N 2.97Å; E189-A193 WeakPolarHBondContact O-CB 3.36Å; E189-A193 PolarHBondContact O-N 3.1Å; E189-A193 VanDerWaalsContact O-N 3.1Å |
| 190 | T | 96.4 | Very high | 96.7 | Very high | 32 Ų | 32 | 61 Ų | 61 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 171.5 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | L131 A186 Y192 A193 A194 | L131-T190 HydrophobicContact CD2-CG2 3.68Å; A186-T190 PolarHBondContact O-N 3.23Å; A186-T190 PolarHBondContact O-OG1 3.09Å; T190-Y192 PolarHBondContact O-N 3.25Å; T190-A193 PolarHBondContact O-N 3.36Å; T190-A194 WeakPolarHBondContact O-CB 3.46Å; T190-A194 PolarHBondContact O-N 2.99Å |
| 191 | F | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 179.7 | -176 | -117.6 | 0 | 0 | 0 | 112.8 | F130 Q134 V137 L141 V159 M162 W163 M187 T188 E189 A194 I195 | F130-F191 HydrophobicContact CZ-CB 4.22Å; F130-F191 HydrophobicContact CZ-CD2 4.47Å; Q134-F191 HydrophobicContact CB-CD2 3.94Å; Q134-F191 HydrophobicContact CB-CE2 4.21Å; V137-F191 HydrophobicContact CG1-CE2 4.49Å; L141-F191 HydrophobicContact CD1-CZ 4.13Å; V159-F191 HydrophobicContact CG1-CE1 4.14Å; V159-F191 HydrophobicContact CG1-CZ 4.45Å; V159-F191 HydrophobicContact CG2-CE1 4.32Å; V159-F191 HydrophobicContact CG2-CZ 4.02Å; M162-F191 HydrophobicContact CE-CD1 4.42Å; M162-F191 HydrophobicContact CE-CD2 3.84Å; M162-F191 HydrophobicContact CE-CE1 4.19Å; M162-F191 HydrophobicContact CE-CE2 3.6Å; M162-F191 HydrophobicContact CE-CG 4.25Å; M162-F191 HydrophobicContact CE-CZ 3.78Å; M162-F191 HydrophobicContact SD-CD2 4.47Å; M162-F191 HydrophobicContact SD-CE2 4Å; M162-F191 HydrophobicContact SD-CZ 4.5Å; W163-F191 HydrophobicContact CH2-CB 4.09Å; W163-F191 HydrophobicContact CH2-CG 4.43Å; W163-F191 HydrophobicContact CZ2-CB 3.92Å; W163-F191 AromaticContact CZ2-CD1 3.85Å; W163-F191 HydrophobicContact CZ2-CD1 3.85Å; W163-F191 AromaticContact CZ2-CG 3.88Å; W163-F191 HydrophobicContact CZ2-CG 3.88Å; M187-F191 VanDerWaalsContact O-CB 3.3Å; M187-F191 WeakPolarHBondContact O-CB 3.42Å; M187-F191 PolarHBondContact O-N 2.88Å; T188-F191 PolarHBondContact O-N 2.9Å; E189-F191 PolarHBondContact O-N 2.97Å; F191-A194 PolarHBondContact O-N 2.86Å; F191-I195 HydrophobicContact CD1-CD1 3.95Å; F191-I195 HydrophobicContact CE1-CD1 3.55Å; F191-I195 HydrophobicContact CE2-CD1 4.19Å; F191-I195 HydrophobicContact CG-CD1 4.44Å; F191-I195 HydrophobicContact CZ-CD1 3.69Å; F191-I195 HydrophobicContact CZ-CG1 4.48Å; F191-I195 WeakPolarHBondContact O-CG1 3.15Å; F191-I195 PolarHBondContact O-N 3.45Å |
| 192 | Y | 97.2 | Very high | 96.9 | Very high | 132 Ų | 132 | 52.5 Ų | 52.5 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 176.8 | -71.6 | -62.3 | 0 | 0 | 0 | 112 | T188 E189 T190 A194 I195 F196 | T188-Y192 HydrophobicContact CG2-CD2 3.97Å; T188-Y192 HydrophobicContact CG2-CE2 3.62Å; T188-Y192 WeakPolarHBondContact O-CD2 3.45Å; T188-Y192 PolarHBondContact O-N 3.02Å; E189-Y192 PolarHBondContact O-N 2.97Å; T190-Y192 PolarHBondContact O-N 3.25Å; Y192-A194 VanDerWaalsContact C-N 3.3Å; Y192-A194 PolarHBondContact O-N 3.13Å; Y192-I195 PolarHBondContact O-N 2.77Å; Y192-F196 WeakPolarHBondContact O-CD2 3.43Å; Y192-F196 PolarHBondContact O-N 3.02Å; Y192-F196 VanDerWaalsContact O-N 3.11Å |
| 193 | A | 96.5 | Very high | 96.9 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E189 T190 G197 N216 | E189-A193 WeakPolarHBondContact O-CB 3.36Å; E189-A193 PolarHBondContact O-N 3.1Å; E189-A193 VanDerWaalsContact O-N 3.1Å; T190-A193 PolarHBondContact O-N 3.36Å; A193-G197 PolarHBondContact O-N 3.27Å; A193-N216 VanDerWaalsContact C-OD1 3.31Å; A193-N216 WeakPolarHBondContact CB-OD1 3.49Å; A193-N216 PolarHBondContact O-ND2 2.9Å |
| 194 | A | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T190 F191 Y192 F196 G197 Y198 N216 | T190-A194 WeakPolarHBondContact O-CB 3.46Å; T190-A194 PolarHBondContact O-N 2.99Å; F191-A194 PolarHBondContact O-N 2.86Å; Y192-A194 VanDerWaalsContact C-N 3.3Å; Y192-A194 PolarHBondContact O-N 3.13Å; A194-F196 PolarHBondContact O-N 3.32Å; A194-G197 PolarHBondContact O-N 3.47Å; A194-Y198 HydrophobicContact CB-CD2 4.15Å; A194-Y198 HydrophobicContact CB-CE2 3.72Å; A194-Y198 VanDerWaalsContact O-CB 3.29Å; A194-Y198 WeakPolarHBondContact O-CB 3.47Å; A194-Y198 VanDerWaalsContact O-CD2 3.24Å; A194-Y198 WeakPolarHBondContact O-CD2 3.4Å; A194-Y198 PolarHBondContact O-N 2.92Å; A194-N216 HydrophobicContact CB-CB 3.99Å; A194-N216 PolarHBondContact N-OD1 3.49Å |
| 195 | I | 96.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.8 | -52.8 | 176.9 | -71.8 | 166.4 | 0 | 0 | 0 | 111 | F191 Y192 G197 Y198 D199 | F191-I195 HydrophobicContact CD1-CD1 3.95Å; F191-I195 HydrophobicContact CE1-CD1 3.55Å; F191-I195 HydrophobicContact CE2-CD1 4.19Å; F191-I195 HydrophobicContact CG-CD1 4.44Å; F191-I195 HydrophobicContact CZ-CD1 3.69Å; F191-I195 HydrophobicContact CZ-CG1 4.48Å; F191-I195 WeakPolarHBondContact O-CG1 3.15Å; F191-I195 PolarHBondContact O-N 3.45Å; Y192-I195 PolarHBondContact O-N 2.77Å; I195-G197 PolarHBondContact O-N 3.03Å; I195-Y198 PolarHBondContact O-N 3.22Å; I195-D199 WeakPolarHBondContact O-CB 3.42Å; I195-D199 PolarHBondContact O-N 2.86Å |
| 196 | F | 96.5 | Very high | 96.8 | Very high | 147 Ų | 147 | 55.5 Ų | 55.5 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | -177.7 | -69.4 | -60.5 | 0 | 0 | 0 | 112.5 | Y192 A194 E200 | Y192-F196 WeakPolarHBondContact O-CD2 3.43Å; Y192-F196 PolarHBondContact O-N 3.02Å; Y192-F196 VanDerWaalsContact O-N 3.11Å; A194-F196 PolarHBondContact O-N 3.32Å; F196-E200 VanDerWaalsContact O-CB 3.28Å; F196-E200 WeakPolarHBondContact O-CB 3.31Å; F196-E200 PolarHBondContact O-N 3.03Å |
| 197 | G | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 58 Ų | 58 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A193 A194 I195 G201 A212 | A193-G197 PolarHBondContact O-N 3.27Å; A194-G197 PolarHBondContact O-N 3.47Å; I195-G197 PolarHBondContact O-N 3.03Å; G197-G201 PolarHBondContact O-N 3.1Å; G197-A212 WeakPolarHBondContact O-CB 3.4Å |
| 198 | Y | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -79 | -37.3 | 178 | -57.4 | -25.1 | 0 | 0 | 0 | 112 | L135 W138 A194 I195 E200 G201 I202 A212 L213 N216 | L135-Y198 HydrophobicContact CD1-CD2 3.85Å; L135-Y198 HydrophobicContact CD1-CE1 4.45Å; L135-Y198 HydrophobicContact CD1-CE2 3.43Å; L135-Y198 VanDerWaalsContact CD1-CE2 3.43Å; W138-Y198 HydrophobicContact CB-CD2 4.39Å; W138-Y198 AromaticContact CD2-CD2 3.77Å; W138-Y198 HydrophobicContact CD2-CD2 3.77Å; W138-Y198 HydrophobicContact CD2-CG 4.16Å; W138-Y198 AromaticContact CE3-CD2 3.87Å; W138-Y198 HydrophobicContact CE3-CD2 3.87Å; W138-Y198 HydrophobicContact CE3-CG 4.24Å; W138-Y198 AromaticContact CG-CD2 3.96Å; W138-Y198 HydrophobicContact CG-CD2 3.96Å; W138-Y198 VanDerWaalsContact CZ2-C 3.46Å; W138-Y198 VanDerWaalsContact CZ2-CB 3.43Å; W138-Y198 WeakPolarHBondContact CZ2-O 3.46Å; A194-Y198 HydrophobicContact CB-CD2 4.15Å; A194-Y198 HydrophobicContact CB-CE2 3.72Å; A194-Y198 VanDerWaalsContact O-CB 3.29Å; A194-Y198 WeakPolarHBondContact O-CB 3.47Å; A194-Y198 VanDerWaalsContact O-CD2 3.24Å; A194-Y198 WeakPolarHBondContact O-CD2 3.4Å; A194-Y198 PolarHBondContact O-N 2.92Å; I195-Y198 PolarHBondContact O-N 3.22Å; Y198-E200 VanDerWaalsContact C-N 3.32Å; Y198-E200 PolarHBondContact O-N 3.28Å; Y198-G201 PolarHBondContact O-N 2.8Å; Y198-I202 WeakPolarHBondContact O-CB 3.28Å; Y198-I202 WeakPolarHBondContact O-CG2 3.44Å; Y198-I202 PolarHBondContact O-N 3.01Å; Y198-A212 HydrophobicContact CD1-CB 4.01Å; Y198-A212 HydrophobicContact CE1-CB 4.43Å; Y198-L213 HydrophobicContact CE1-CD2 3.9Å; Y198-L213 HydrophobicContact CE1-CG 4.24Å; Y198-N216 HydrophobicContact CE1-CB 3.98Å; Y198-N216 WeakPolarHBondContact OH-CB 3.37Å |
| 199 | D | 97.8 | Very high | 97 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 170.7 | -74.6 | -5.2 | 0 | 0 | 0 | 110.6 | W138 I195 L203 | W138-D199 PolarHBondContact NE1-OD1 3.47Å; I195-D199 WeakPolarHBondContact O-CB 3.42Å; I195-D199 PolarHBondContact O-N 2.86Å; D199-L203 WeakPolarHBondContact O-CD1 3.49Å; D199-L203 WeakPolarHBondContact O-CG 3.17Å |
| 200 | E | 97.4 | Very high | 97 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -51.4 | 173.6 | -177.8 | -175.6 | -145.7 | 0 | 0 | 111.8 | F196 Y198 L203 S204 V208 | F196-E200 VanDerWaalsContact O-CB 3.28Å; F196-E200 WeakPolarHBondContact O-CB 3.31Å; F196-E200 PolarHBondContact O-N 3.03Å; Y198-E200 VanDerWaalsContact C-N 3.32Å; Y198-E200 PolarHBondContact O-N 3.28Å; E200-L203 PolarHBondContact O-N 3.31Å; E200-S204 VanDerWaalsContact O-CB 3.24Å; E200-S204 WeakPolarHBondContact O-CB 3.44Å; E200-S204 PolarHBondContact O-N 3.38Å; E200-S204 VanDerWaalsContact O-N 3.14Å; E200-S204 PolarHBondContact O-OG 3.44Å; E200-V208 HydrophobicContact CG-CG1 3.94Å |
| 201 | G | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G197 Y198 L203 S204 R236 | G197-G201 PolarHBondContact O-N 3.1Å; Y198-G201 PolarHBondContact O-N 2.8Å; G201-L203 VanDerWaalsContact C-N 3.3Å; G201-L203 PolarHBondContact O-N 2.7Å; G201-S204 CarbonylContact O-C 3.58Å; G201-S204 PolarHBondContact O-N 2.92Å; G201-R236 PolarHBondContact O-NH2 3.14Å |
| 202 | I | 95.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.6 | -28.7 | -179.8 | -158.3 | 68.6 | 0 | 0 | 0 | 112.3 | W138 Y198 S204 L209 V235 R236 M239 | W138-I202 HydrophobicContact CH2-CB 4.02Å; W138-I202 HydrophobicContact CH2-CG1 4.3Å; W138-I202 HydrophobicContact CH2-CG2 4.26Å; W138-I202 HydrophobicContact CZ2-CB 4.24Å; W138-I202 HydrophobicContact CZ2-CG2 4Å; Y198-I202 WeakPolarHBondContact O-CB 3.28Å; Y198-I202 WeakPolarHBondContact O-CG2 3.44Å; Y198-I202 PolarHBondContact O-N 3.01Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-L209 HydrophobicContact CD1-CD2 4.3Å; I202-V235 HydrophobicContact CD1-CG1 4.13Å; I202-R236 PolarHBondContact O-NH1 2.69Å; I202-M239 HydrophobicContact CD1-CB 4.04Å; I202-M239 HydrophobicContact CD1-CG 3.78Å; I202-M239 HydrophobicContact CG1-CB 4.5Å; I202-M239 HydrophobicContact CG1-CG 4.14Å |
| 203 | L | 95.6 | Very high | 97.1 | Very high | 156 Ų | 156 | 46.2 Ų | 46.2 | 82% | 0.817 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -84.6 | -8.3 | 174.4 | -64.9 | 175.2 | 0 | 0 | 0 | 113.5 | D199 E200 G201 | D199-L203 WeakPolarHBondContact O-CD1 3.49Å; D199-L203 WeakPolarHBondContact O-CG 3.17Å; E200-L203 PolarHBondContact O-N 3.31Å; G201-L203 VanDerWaalsContact C-N 3.3Å; G201-L203 PolarHBondContact O-N 2.7Å |
| 204 | S | 95.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -115.5 | -168 | -177.7 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | E200 G201 I202 R236 | E200-S204 VanDerWaalsContact O-CB 3.24Å; E200-S204 WeakPolarHBondContact O-CB 3.44Å; E200-S204 PolarHBondContact O-N 3.38Å; E200-S204 VanDerWaalsContact O-N 3.14Å; E200-S204 PolarHBondContact O-OG 3.44Å; G201-S204 CarbonylContact O-C 3.58Å; G201-S204 PolarHBondContact O-N 2.92Å; I202-S204 VanDerWaalsContact C-N 3.34Å; S204-R236 PolarHBondContact O-NH2 2.95Å |
| 205 | D | 95.2 | Very high | 97.2 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | trans | -73.9 | 172.5 | 174 | 65.5 | 66 | 0 | 0 | 0 | 114.1 | C207 V208 L209 R236 | D205-C207 VanDerWaalsContact C-N 3.32Å; D205-C207 PolarHBondContact O-N 3.37Å; D205-C207 WeakPolarHBondContact OD1-CA 3.47Å; D205-C207 WeakPolarHBondContact OD1-CB 3.15Å; D205-C207 PolarHBondContact OD1-N 2.82Å; D205-V208 PolarHBondContact O-N 3.28Å; D205-V208 PolarHBondContact OD1-N 3.15Å; D205-L209 PolarHBondContact O-N 2.83Å; D205-L209 VanDerWaalsContact O-N 3.15Å; D205-R236 PolarHBondContact O-NH2 2.9Å | ||
| 206 | D | 96.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.3 | -20.6 | -177.7 | -70.4 | -29.6 | 0 | 0 | 0 | 114.3 | A210 V232 R236 | D206-A210 WeakPolarHBondContact O-CB 3.43Å; D206-A210 PolarHBondContact O-N 3.24Å; D206-V232 HydrophobicContact CB-CG1 3.85Å; D206-V232 WeakPolarHBondContact OD1-CG1 3.42Å; D206-R236 IonicContact OD1-CZ 3.16Å; D206-R236 IonicContact OD1-NE 2.71Å; D206-R236 PolarHBondContact OD1-NE 3.04Å; D206-R236 IonicContact OD1-NH2 2.77Å; D206-R236 PolarHBondContact OD1-NH2 3.4Å |
| 207 | C | 97.1 | Very high | 97.1 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 68% | 0.676 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -72.6 | -39.4 | 172.8 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | D205 A211 | D205-C207 VanDerWaalsContact C-N 3.32Å; D205-C207 PolarHBondContact O-N 3.37Å; D205-C207 WeakPolarHBondContact OD1-CA 3.47Å; D205-C207 WeakPolarHBondContact OD1-CB 3.15Å; D205-C207 PolarHBondContact OD1-N 2.82Å; C207-A211 VanDerWaalsContact O-CB 3.28Å; C207-A211 WeakPolarHBondContact O-CB 3.48Å; C207-A211 PolarHBondContact O-N 2.92Å |
| 208 | V | 98 | Very high | 97 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | E200 D205 A211 A212 | E200-V208 HydrophobicContact CG-CG1 3.94Å; D205-V208 PolarHBondContact O-N 3.28Å; D205-V208 PolarHBondContact OD1-N 3.15Å; V208-A211 PolarHBondContact O-N 2.98Å; V208-A212 WeakPolarHBondContact O-CB 3.45Å; V208-A212 PolarHBondContact O-N 2.84Å |
| 209 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 177 | -174.4 | 55.7 | 0 | 0 | 0 | 112.6 | I202 D205 A211 A212 L213 V232 V235 R236 | I202-L209 HydrophobicContact CD1-CD2 4.3Å; D205-L209 PolarHBondContact O-N 2.83Å; D205-L209 VanDerWaalsContact O-N 3.15Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 3.43Å; L209-A212 PolarHBondContact O-N 2.85Å; L209-L213 HydrophobicContact CD1-CD1 4.4Å; L209-L213 HydrophobicContact CG-CD1 4.15Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.23Å; L209-V232 HydrophobicContact CB-CG2 4.46Å; L209-V232 HydrophobicContact CD2-CG1 4.37Å; L209-V232 HydrophobicContact CG-CG2 4.27Å; L209-V235 HydrophobicContact CD1-CG1 4.35Å; L209-V235 HydrophobicContact CD2-CB 4.48Å; L209-V235 HydrophobicContact CD2-CG1 4.1Å; L209-R236 HydrophobicContact CD2-CG 4.2Å |
| 210 | A | 97.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D206 A212 L213 W214 L228 V232 | D206-A210 WeakPolarHBondContact O-CB 3.43Å; D206-A210 PolarHBondContact O-N 3.24Å; A210-A212 VanDerWaalsContact C-N 3.32Å; A210-A212 PolarHBondContact O-N 3.16Å; A210-L213 PolarHBondContact O-N 3.29Å; A210-W214 WeakPolarHBondContact O-CB 3.33Å; A210-W214 PolarHBondContact O-N 3.43Å; A210-L228 HydrophobicContact CB-CB 4.44Å; A210-V232 HydrophobicContact CB-CG2 3.81Å |
| 211 | A | 97.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.9 | -34 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C207 V208 L209 R215 | C207-A211 VanDerWaalsContact O-CB 3.28Å; C207-A211 WeakPolarHBondContact O-CB 3.48Å; C207-A211 PolarHBondContact O-N 2.92Å; V208-A211 PolarHBondContact O-N 2.98Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 3.43Å; A211-R215 VanDerWaalsContact O-CG 3.29Å; A211-R215 WeakPolarHBondContact O-CG 3.29Å; A211-R215 PolarHBondContact O-N 3.03Å; A211-R215 VanDerWaalsContact O-N 3.1Å; A211-R215 PolarHBondContact O-NH1 2.95Å |
| 212 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G197 Y198 V208 L209 A210 N216 | G197-A212 WeakPolarHBondContact O-CB 3.4Å; Y198-A212 HydrophobicContact CD1-CB 4.01Å; Y198-A212 HydrophobicContact CE1-CB 4.43Å; V208-A212 WeakPolarHBondContact O-CB 3.45Å; V208-A212 PolarHBondContact O-N 2.84Å; L209-A212 PolarHBondContact O-N 2.85Å; A210-A212 VanDerWaalsContact C-N 3.32Å; A210-A212 PolarHBondContact O-N 3.16Å; A212-N216 WeakPolarHBondContact O-CB 3.36Å; A212-N216 PolarHBondContact O-N 3.26Å; A212-N216 PolarHBondContact O-ND2 3.06Å |
| 213 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 173.3 | -73.7 | 161.7 | 0 | 0 | 0 | 111.4 | L135 Y198 L209 A210 R215 N216 L217 F218 M231 V232 V235 | L135-L213 HydrophobicContact CD1-CD2 4.17Å; L135-L213 HydrophobicContact CD2-CD2 4.45Å; Y198-L213 HydrophobicContact CE1-CD2 3.9Å; Y198-L213 HydrophobicContact CE1-CG 4.24Å; L209-L213 HydrophobicContact CD1-CD1 4.4Å; L209-L213 HydrophobicContact CG-CD1 4.15Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.23Å; A210-L213 PolarHBondContact O-N 3.29Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-R215 PolarHBondContact O-N 3Å; L213-N216 PolarHBondContact O-N 3.46Å; L213-L217 HydrophobicContact CD2-CB 4.37Å; L213-L217 HydrophobicContact CD2-CD2 4.1Å; L213-L217 WeakPolarHBondContact O-CA 3.43Å; L213-L217 WeakPolarHBondContact O-CB 3.48Å; L213-L217 PolarHBondContact O-N 2.87Å; L213-F218 PolarHBondContact O-N 3.46Å; L213-M231 HydrophobicContact CD1-CB 3.99Å; L213-V232 HydrophobicContact CD1-CG2 3.81Å; L213-V235 HydrophobicContact CD2-CG2 4.3Å |
| 214 | W | 97.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.9 | -45.5 | 175.5 | -174.7 | 83.8 | 0 | 0 | 0 | 112 | A210 F218 N219 C220 C222 L228 | A210-W214 WeakPolarHBondContact O-CB 3.33Å; A210-W214 PolarHBondContact O-N 3.43Å; W214-F218 CarbonylContact O-C 3.56Å; W214-N219 PolarHBondContact O-N 3.48Å; W214-C220 HydrophobicContact CD2-CB 4.48Å; W214-C220 HydrophobicContact CE3-CB 4.11Å; W214-C220 HydrophobicContact CH2-CB 3.52Å; W214-C220 HydrophobicContact CZ2-CB 3.92Å; W214-C220 WeakPolarHBondContact CZ2-O 3.38Å; W214-C220 HydrophobicContact CZ3-CB 3.63Å; W214-C220 WeakPolarHBondContact CZ3-SG 3.38Å; W214-C220 PolarHBondContact O-N 3.05Å; W214-C222 PolarHBondContact NE1-O 3.37Å; W214-L228 HydrophobicContact CB-CD1 4.25Å; W214-L228 HydrophobicContact CB-CD2 3.81Å; W214-L228 HydrophobicContact CG-CD1 4.44Å; W214-L228 HydrophobicContact CG-CD2 4.45Å |
| 215 | R | 96.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 175.9 | -72.3 | -175.2 | -59.8 | -95.6 | 12.5 | 113.1 | A211 L213 N219 | A211-R215 VanDerWaalsContact O-CG 3.29Å; A211-R215 WeakPolarHBondContact O-CG 3.29Å; A211-R215 PolarHBondContact O-N 3.03Å; A211-R215 VanDerWaalsContact O-N 3.1Å; A211-R215 PolarHBondContact O-NH1 2.95Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-R215 PolarHBondContact O-N 3Å; R215-N219 WeakPolarHBondContact O-CA 3.25Å; R215-N219 PolarHBondContact O-N 3.38Å |
| 216 | N | 96.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -104.7 | -30.9 | -163.1 | -66 | -65.9 | 0 | 0 | 0 | 115.6 | A193 A194 Y198 A212 L213 | A193-N216 VanDerWaalsContact C-OD1 3.31Å; A193-N216 WeakPolarHBondContact CB-OD1 3.49Å; A193-N216 PolarHBondContact O-ND2 2.9Å; A194-N216 HydrophobicContact CB-CB 3.99Å; A194-N216 PolarHBondContact N-OD1 3.49Å; Y198-N216 HydrophobicContact CE1-CB 3.98Å; Y198-N216 WeakPolarHBondContact OH-CB 3.37Å; A212-N216 WeakPolarHBondContact O-CB 3.36Å; A212-N216 PolarHBondContact O-N 3.26Å; A212-N216 PolarHBondContact O-ND2 3.06Å; L213-N216 PolarHBondContact O-N 3.46Å |
| 217 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -41.3 | 176.1 | 179.1 | 62.4 | 0 | 0 | 0 | 111.1 | L122 L131 V132 L135 L213 M231 | L122-L217 HydrophobicContact CD1-CD1 4.27Å; L131-L217 HydrophobicContact CB-CD1 4.04Å; L131-L217 VanDerWaalsContact CD1-O 3.31Å; L131-L217 WeakPolarHBondContact CD1-O 3.43Å; V132-L217 HydrophobicContact CG2-CD1 4.22Å; L135-L217 HydrophobicContact CD2-CD2 4.41Å; L213-L217 HydrophobicContact CD2-CB 4.37Å; L213-L217 HydrophobicContact CD2-CD2 4.1Å; L213-L217 WeakPolarHBondContact O-CA 3.43Å; L213-L217 WeakPolarHBondContact O-CB 3.48Å; L213-L217 PolarHBondContact O-N 2.87Å; L217-M231 HydrophobicContact CD2-CB 4.46Å; L217-M231 HydrophobicContact CD2-CE 3.73Å; L217-M231 HydrophobicContact CD2-CG 3.84Å; L217-M231 HydrophobicContact CD2-SD 3.97Å |
| 218 | F | 95.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -96.4 | -2.9 | -178.9 | -63.4 | -89.9 | 0 | 0 | 0 | 113.8 | C120 L122 L213 W214 C220 Q221 C222 Q227 L228 M231 | C120-F218 HydrophobicContact CB-CE1 3.62Å; C120-F218 HydrophobicContact CB-CZ 3.78Å; C120-F218 WeakPolarHBondContact O-CE1 3.26Å; L122-F218 HydrophobicContact CD2-CD1 4.31Å; L213-F218 PolarHBondContact O-N 3.46Å; W214-F218 CarbonylContact O-C 3.56Å; F218-C220 VanDerWaalsContact C-N 3.25Å; F218-C220 PolarHBondContact O-N 2.99Å; F218-Q221 WeakPolarHBondContact O-CA 3.47Å; F218-Q221 WeakPolarHBondContact O-CB 3.36Å; F218-Q221 PolarHBondContact O-N 2.99Å; F218-C222 HydrophobicContact CB-CB 3.7Å; F218-C222 HydrophobicContact CD1-CB 3.52Å; F218-C222 HydrophobicContact CD2-CB 4.36Å; F218-C222 HydrophobicContact CE1-CB 4.17Å; F218-C222 HydrophobicContact CG-CB 3.62Å; F218-Q227 HydrophobicContact CE1-CB 4.05Å; F218-Q227 HydrophobicContact CZ-CB 3.9Å; F218-L228 HydrophobicContact CD2-CD2 3.77Å; F218-L228 HydrophobicContact CE2-CD2 3.72Å; F218-M231 HydrophobicContact CE2-CG 4.16Å; F218-M231 HydrophobicContact CZ-CG 4.14Å |
| 219 | N | 92.6 | Very high | 95.1 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 36.2 | 179.8 | -45.4 | -90.7 | 0 | 0 | 0 | 113.5 | L131 W214 R215 Q221 | L131-N219 WeakPolarHBondContact CD1-ND2 3.28Å; W214-N219 PolarHBondContact O-N 3.48Å; R215-N219 WeakPolarHBondContact O-CA 3.25Å; R215-N219 PolarHBondContact O-N 3.38Å; N219-Q221 PolarHBondContact O-N 3.13Å |
| 220 | C | 91.9 | Very high | 95 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 21.4 | -171.8 | -52.8 | 0 | 0 | 0 | 0 | 114.5 | W214 F218 | W214-C220 HydrophobicContact CD2-CB 4.48Å; W214-C220 HydrophobicContact CE3-CB 4.11Å; W214-C220 HydrophobicContact CH2-CB 3.52Å; W214-C220 HydrophobicContact CZ2-CB 3.92Å; W214-C220 WeakPolarHBondContact CZ2-O 3.38Å; W214-C220 HydrophobicContact CZ3-CB 3.63Å; W214-C220 WeakPolarHBondContact CZ3-SG 3.38Å; W214-C220 PolarHBondContact O-N 3.05Å; F218-C220 VanDerWaalsContact C-N 3.25Å; F218-C220 PolarHBondContact O-N 2.99Å |
| 221 | Q | 89.1 | Confident | 95 | Very high | 162 Ų | 162 | 58.5 Ų | 58.5 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | trans | -123.5 | 75 | 179.7 | -63.9 | -177.1 | -9.6 | 0 | 0 | 110.6 | F218 N219 | F218-Q221 WeakPolarHBondContact O-CA 3.47Å; F218-Q221 WeakPolarHBondContact O-CB 3.36Å; F218-Q221 PolarHBondContact O-N 2.99Å; N219-Q221 PolarHBondContact O-N 3.13Å | ||
| 222 | C | 91.4 | Very high | 95 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | trans | -153.6 | 117.2 | 171.5 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | W214 F218 D224 | W214-C222 PolarHBondContact NE1-O 3.37Å; F218-C222 HydrophobicContact CB-CB 3.7Å; F218-C222 HydrophobicContact CD1-CB 3.52Å; F218-C222 HydrophobicContact CD2-CB 4.36Å; F218-C222 HydrophobicContact CE1-CB 4.17Å; F218-C222 HydrophobicContact CG-CB 3.62Å; C222-D224 PolarHBondContact SG-O 2.75Å; C222-D224 VanDerWaalsContact SG-O 3.37Å | ||
| 223 | D | 89.9 | Confident | 94.9 | Very high | 168 Ų | 168 | 61.7 Ų | 61.7 | 90% | 0.898 | 31% | 0.308 | S | S | * | . | trans | -105.8 | -5.6 | -178 | -58 | -51.5 | 0 | 0 | 0 | 112.6 | P225 | D223-P225 WeakPolarHBondContact O-CD 3.4Š| ||
| 224 | D | 93.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 33% | 0.332 | 31% | 0.309 | S | S | . | . | trans | -100.6 | 111.8 | 177 | 179.5 | 9.9 | 0 | 0 | 0 | 111.1 | C222 Q226 Q227 | C222-D224 PolarHBondContact SG-O 2.75Å; C222-D224 VanDerWaalsContact SG-O 3.37Å; D224-Q226 PolarHBondContact O-N 3.03Å; D224-Q226 WeakPolarHBondContact OD1-CB 3.3Å; D224-Q226 WeakPolarHBondContact OD1-CG 3.42Å; D224-Q226 PolarHBondContact OD1-N 3.09Å; D224-Q227 HydrophobicContact CB-CG 4.11Å; D224-Q227 PolarHBondContact O-N 3.34Å | ||
| 225 | P | 93.3 | Very high | 94.9 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59 | -26.4 | 176.4 | -24.8 | 35.5 | 0 | 0 | 0 | 114.2 | D223 Q227 L228 E229 | D223-P225 WeakPolarHBondContact O-CD 3.4Å; P225-Q227 VanDerWaalsContact C-N 3.27Å; P225-Q227 PolarHBondContact O-N 2.97Å; P225-L228 PolarHBondContact O-N 3.18Å; P225-L228 VanDerWaalsContact O-N 3.13Å; P225-E229 PolarHBondContact O-N 2.71Å |
| 226 | Q | 95.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 56.1 Ų | 56.1 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.1 | -30.5 | -178.2 | -59.1 | 178.3 | 32.2 | 0 | 0 | 111.7 | D224 L230 | D224-Q226 PolarHBondContact O-N 3.03Å; D224-Q226 WeakPolarHBondContact OD1-CB 3.3Å; D224-Q226 WeakPolarHBondContact OD1-CG 3.42Å; D224-Q226 PolarHBondContact OD1-N 3.09Å; Q226-L230 VanDerWaalsContact O-CB 3.28Å; Q226-L230 WeakPolarHBondContact O-CB 3.46Å; Q226-L230 PolarHBondContact O-N 3.26Å |
| 227 | Q | 95.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -34 | 174.3 | -61.7 | -172.2 | -32.7 | 0 | 0 | 112 | K119 S121 F218 D224 P225 M231 | K119-Q227 WeakPolarHBondContact O-CG 3.42Å; K119-Q227 PolarHBondContact O-NE2 3.07Å; S121-Q227 PolarHBondContact OG-NE2 2.94Å; F218-Q227 HydrophobicContact CE1-CB 4.05Å; F218-Q227 HydrophobicContact CZ-CB 3.9Å; D224-Q227 HydrophobicContact CB-CG 4.11Å; D224-Q227 PolarHBondContact O-N 3.34Å; P225-Q227 VanDerWaalsContact C-N 3.27Å; P225-Q227 PolarHBondContact O-N 2.97Å; Q227-M231 WeakPolarHBondContact O-CB 3.44Å; Q227-M231 WeakPolarHBondContact O-CG 3.46Å; Q227-M231 PolarHBondContact O-N 3.17Å |
| 228 | L | 96 | Very high | 94.7 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.6 | -43.8 | 174.1 | -63.6 | 177.5 | 0 | 0 | 0 | 111.4 | A210 W214 F218 P225 M231 V232 | A210-L228 HydrophobicContact CB-CB 4.44Å; W214-L228 HydrophobicContact CB-CD1 4.25Å; W214-L228 HydrophobicContact CB-CD2 3.81Å; W214-L228 HydrophobicContact CG-CD1 4.44Å; W214-L228 HydrophobicContact CG-CD2 4.45Å; F218-L228 HydrophobicContact CD2-CD2 3.77Å; F218-L228 HydrophobicContact CE2-CD2 3.72Å; P225-L228 PolarHBondContact O-N 3.18Å; P225-L228 VanDerWaalsContact O-N 3.13Å; L228-M231 PolarHBondContact O-N 3.48Å; L228-V232 WeakPolarHBondContact O-CB 3.35Å; L228-V232 WeakPolarHBondContact O-CG2 3.4Å; L228-V232 PolarHBondContact O-N 3.03Å |
| 229 | E | 96.1 | Very high | 94.7 | Very high | 138 Ų | 138 | 57 Ų | 57 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.1 | -49.9 | 176.5 | -176.1 | 172.1 | -148.5 | 0 | 0 | 111.3 | P225 M231 V232 E233 | P225-E229 PolarHBondContact O-N 2.71Å; E229-M231 VanDerWaalsContact C-N 3.31Å; E229-M231 PolarHBondContact O-N 2.82Å; E229-V232 PolarHBondContact O-N 2.81Å; E229-E233 WeakPolarHBondContact O-CB 3.26Å; E229-E233 PolarHBondContact O-N 2.91Å |
| 230 | L | 96.4 | Very high | 94.8 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.6 | -44.3 | 174.3 | 175.8 | 63.7 | 0 | 0 | 0 | 112.1 | K119 Q226 Y234 L261 V262 | K119-L230 HydrophobicContact CB-CD2 3.8Å; K119-L230 HydrophobicContact CG-CD2 4.32Å; Q226-L230 VanDerWaalsContact O-CB 3.28Å; Q226-L230 WeakPolarHBondContact O-CB 3.46Å; Q226-L230 PolarHBondContact O-N 3.26Å; L230-Y234 VanDerWaalsContact O-CB 3.24Å; L230-Y234 WeakPolarHBondContact O-CB 3.5Å; L230-Y234 PolarHBondContact O-N 3.04Å; L230-L261 HydrophobicContact CD1-CD1 4.38Å; L230-L261 HydrophobicContact CD2-CD1 4.45Å; L230-L261 HydrophobicContact CD2-CD2 4.5Å; L230-L261 HydrophobicContact CD2-CG 4.31Å; L230-L261 HydrophobicContact CG-CD1 4.17Å; L230-L261 HydrophobicContact CG-CG 4.48Å; L230-V262 HydrophobicContact CD1-CG2 4.34Å |
| 231 | M | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.3 | -30.5 | -178.8 | -76.7 | -57.2 | -37.9 | 0 | 0 | 113.5 | F116 C120 L135 L213 L217 F218 Q227 L228 E229 Y234 V235 L261 | F116-M231 HydrophobicContact CD1-SD 4.19Å; F116-M231 HydrophobicContact CE1-CE 4.07Å; F116-M231 HydrophobicContact CE1-SD 3.94Å; C120-M231 VanDerWaalsContact SG-CG 3.57Å; C120-M231 VanDerWaalsContact SG-SD 3.63Å; L135-M231 HydrophobicContact CD2-CE 3.47Å; L135-M231 VanDerWaalsContact CD2-CE 3.47Å; L213-M231 HydrophobicContact CD1-CB 3.99Å; L217-M231 HydrophobicContact CD2-CB 4.46Å; L217-M231 HydrophobicContact CD2-CE 3.73Å; L217-M231 HydrophobicContact CD2-CG 3.84Å; L217-M231 HydrophobicContact CD2-SD 3.97Å; F218-M231 HydrophobicContact CE2-CG 4.16Å; F218-M231 HydrophobicContact CZ-CG 4.14Å; Q227-M231 WeakPolarHBondContact O-CB 3.44Å; Q227-M231 WeakPolarHBondContact O-CG 3.46Å; Q227-M231 PolarHBondContact O-N 3.17Å; L228-M231 PolarHBondContact O-N 3.48Å; E229-M231 VanDerWaalsContact C-N 3.31Å; E229-M231 PolarHBondContact O-N 2.82Å; M231-Y234 HydrophobicContact CE-CD1 3.9Å; M231-Y234 HydrophobicContact CE-CG 4.46Å; M231-V235 HydrophobicContact CE-CG2 4.33Å; M231-V235 WeakPolarHBondContact O-CB 3.42Å; M231-V235 VanDerWaalsContact O-CG2 3.3Å; M231-V235 WeakPolarHBondContact O-CG2 3.06Å; M231-V235 PolarHBondContact O-N 3.17Å; M231-L261 HydrophobicContact SD-CD1 3.84Å |
| 232 | V | 97.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -51.7 | 170.1 | 165.6 | 0 | 0 | 0 | 0 | 110.2 | D206 L209 A210 L213 L228 E229 Y234 V235 R236 | D206-V232 HydrophobicContact CB-CG1 3.85Å; D206-V232 WeakPolarHBondContact OD1-CG1 3.42Å; L209-V232 HydrophobicContact CB-CG2 4.46Å; L209-V232 HydrophobicContact CD2-CG1 4.37Å; L209-V232 HydrophobicContact CG-CG2 4.27Å; A210-V232 HydrophobicContact CB-CG2 3.81Å; L213-V232 HydrophobicContact CD1-CG2 3.81Å; L228-V232 WeakPolarHBondContact O-CB 3.35Å; L228-V232 WeakPolarHBondContact O-CG2 3.4Å; L228-V232 PolarHBondContact O-N 3.03Å; E229-V232 PolarHBondContact O-N 2.81Å; V232-Y234 VanDerWaalsContact C-N 3.28Å; V232-Y234 PolarHBondContact O-N 3.49Å; V232-V235 PolarHBondContact O-N 2.68Å; V232-R236 HydrophobicContact CG1-CG 4.35Å; V232-R236 WeakPolarHBondContact O-CB 3.09Å; V232-R236 WeakPolarHBondContact O-CG 3.29Å; V232-R236 PolarHBondContact O-N 3.1Å |
| 233 | E | 95.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.8 | -46.4 | 177.4 | -173 | -171.3 | -172.4 | 0 | 0 | 110.4 | E229 R236 K237 | E229-E233 WeakPolarHBondContact O-CB 3.26Å; E229-E233 PolarHBondContact O-N 2.91Å; E233-R236 PolarHBondContact O-N 2.85Å; E233-K237 VanDerWaalsContact CD-NZ 3.32Å; E233-K237 HydrophobicContact CG-CD 4.1Å; E233-K237 WeakPolarHBondContact O-CB 3.35Å; E233-K237 VanDerWaalsContact O-CG 3.29Å; E233-K237 WeakPolarHBondContact O-CG 3.49Å; E233-K237 PolarHBondContact O-N 2.8Å; E233-K237 WeakPolarHBondContact OE1-CE 3.43Å; E233-K237 IonicContact OE1-NZ 2.64Å; E233-K237 PolarHBondContact OE1-NZ 2.81Å; E233-K237 IonicContact OE2-NZ 2.71Å |
| 234 | Y | 97 | Very high | 95.4 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.7 | -54.4 | 176.2 | -175.8 | -100.2 | 0 | 0 | 0 | 112.3 | F116 H136 M139 L230 M231 V232 R236 K237 Q238 P260 L261 | F116-Y234 HydrophobicContact CE1-CD1 4.46Å; F116-Y234 HydrophobicContact CE1-CE1 4.17Å; F116-Y234 HydrophobicContact CZ-CD1 4.31Å; F116-Y234 AromaticContact CZ-CE1 3.68Å; F116-Y234 HydrophobicContact CZ-CE1 3.68Å; F116-Y234 HydrophobicContact CZ-CE2 4.2Å; F116-Y234 AromaticContact CZ-CZ 3.62Å; H136-Y234 AromaticContact NE2-CE1 3.56Å; H136-Y234 AromaticContact NE2-CZ 3.72Å; H136-Y234 PolarHBondContact NE2-OH 3.45Å; H136-Y234 VanDerWaalsContact NE2-OH 3.09Å; M139-Y234 HydrophobicContact CE-CE1 4.26Å; L230-Y234 VanDerWaalsContact O-CB 3.24Å; L230-Y234 WeakPolarHBondContact O-CB 3.5Å; L230-Y234 PolarHBondContact O-N 3.04Å; M231-Y234 HydrophobicContact CE-CD1 3.9Å; M231-Y234 HydrophobicContact CE-CG 4.46Å; V232-Y234 VanDerWaalsContact C-N 3.28Å; V232-Y234 PolarHBondContact O-N 3.49Å; Y234-R236 PolarHBondContact O-N 2.81Å; Y234-K237 PolarHBondContact O-N 2.87Å; Y234-Q238 HydrophobicContact CD1-CG 4Å; Y234-Q238 HydrophobicContact CD2-CG 4.35Å; Y234-Q238 HydrophobicContact CE1-CG 3.53Å; Y234-Q238 HydrophobicContact CE2-CG 3.97Å; Y234-Q238 HydrophobicContact CG-CG 4.38Å; Y234-Q238 WeakPolarHBondContact O-CG 2.94Å; Y234-Q238 PolarHBondContact O-N 3.24Å; Y234-Q238 PolarHBondContact OH-NE2 3.44Å; Y234-P260 WeakPolarHBondContact CE2-O 3.36Å; Y234-L261 HydrophobicContact CD1-CD1 4.34Å; Y234-L261 HydrophobicContact CD2-CB 4.36Å; Y234-L261 HydrophobicContact CD2-CD1 3.56Å; Y234-L261 HydrophobicContact CE2-CB 4.3Å; Y234-L261 HydrophobicContact CE2-CD1 4.14Å; Y234-L261 HydrophobicContact CG-CD1 3.66Å |
| 235 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -177.6 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | L135 W138 I202 L209 L213 M231 V232 K237 Q238 M239 | L135-V235 HydrophobicContact CD1-CG2 4Å; L135-V235 HydrophobicContact CD2-CG2 4.08Å; L135-V235 HydrophobicContact CG-CG2 4.38Å; W138-V235 HydrophobicContact CH2-CG1 4.24Å; W138-V235 HydrophobicContact CZ3-CG1 3.85Å; I202-V235 HydrophobicContact CD1-CG1 4.13Å; L209-V235 HydrophobicContact CD1-CG1 4.35Å; L209-V235 HydrophobicContact CD2-CB 4.48Å; L209-V235 HydrophobicContact CD2-CG1 4.1Å; L213-V235 HydrophobicContact CD2-CG2 4.3Å; M231-V235 HydrophobicContact CE-CG2 4.33Å; M231-V235 WeakPolarHBondContact O-CB 3.42Å; M231-V235 VanDerWaalsContact O-CG2 3.3Å; M231-V235 WeakPolarHBondContact O-CG2 3.06Å; M231-V235 PolarHBondContact O-N 3.17Å; V232-V235 PolarHBondContact O-N 2.68Å; V235-K237 PolarHBondContact O-N 2.68Å; V235-Q238 PolarHBondContact O-N 3.28Å; V235-M239 HydrophobicContact CG1-CG 4.33Å; V235-M239 WeakPolarHBondContact O-CB 3.47Å; V235-M239 WeakPolarHBondContact O-CG 3.12Å; V235-M239 PolarHBondContact O-N 2.96Å |
| 236 | R | 96.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 26% | 0.26 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 175 | -68.9 | -68.2 | -170 | -165.8 | -2.5 | 111.4 | G201 I202 S204 D205 D206 L209 V232 E233 Y234 Q240 | G201-R236 PolarHBondContact O-NH2 3.14Å; I202-R236 PolarHBondContact O-NH1 2.69Å; S204-R236 PolarHBondContact O-NH2 2.95Å; D205-R236 PolarHBondContact O-NH2 2.9Å; D206-R236 IonicContact OD1-CZ 3.16Å; D206-R236 IonicContact OD1-NE 2.71Å; D206-R236 PolarHBondContact OD1-NE 3.04Å; D206-R236 IonicContact OD1-NH2 2.77Å; D206-R236 PolarHBondContact OD1-NH2 3.4Å; L209-R236 HydrophobicContact CD2-CG 4.2Å; V232-R236 HydrophobicContact CG1-CG 4.35Å; V232-R236 WeakPolarHBondContact O-CB 3.09Å; V232-R236 WeakPolarHBondContact O-CG 3.29Å; V232-R236 PolarHBondContact O-N 3.1Å; E233-R236 PolarHBondContact O-N 2.85Å; Y234-R236 PolarHBondContact O-N 2.81Å; R236-Q240 WeakPolarHBondContact O-CB 3.4Å; R236-Q240 PolarHBondContact O-N 3.19Å |
| 237 | K | 93.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 44 Ų | 44 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.2 | -75.4 | 175.2 | 179.5 | 179.8 | 0 | 113.4 | E233 Y234 V235 F241 E263 I269 | E233-K237 VanDerWaalsContact CD-NZ 3.32Å; E233-K237 HydrophobicContact CG-CD 4.1Å; E233-K237 WeakPolarHBondContact O-CB 3.35Å; E233-K237 VanDerWaalsContact O-CG 3.29Å; E233-K237 WeakPolarHBondContact O-CG 3.49Å; E233-K237 PolarHBondContact O-N 2.8Å; E233-K237 WeakPolarHBondContact OE1-CE 3.43Å; E233-K237 IonicContact OE1-NZ 2.64Å; E233-K237 PolarHBondContact OE1-NZ 2.81Å; E233-K237 IonicContact OE2-NZ 2.71Å; Y234-K237 PolarHBondContact O-N 2.87Å; V235-K237 PolarHBondContact O-N 2.68Å; K237-F241 WeakPolarHBondContact O-CB 3.41Å; K237-F241 PolarHBondContact O-N 2.89Å; K237-E263 WeakPolarHBondContact CE-OE2 3.21Å; K237-E263 IonicContact NZ-OE2 3.99Å; K237-E263 PolarHBondContact NZ-OE2 3.45Å; K237-I269 HydrophobicContact CD-CG1 4.47Å; K237-I269 VanDerWaalsContact CE-CD1 3.46Å; K237-I269 HydrophobicContact CG-CG1 4.47Å |
| 238 | Q | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 178.9 | -63.6 | -52.6 | -30.2 | 0 | 0 | 110.9 | M139 Y234 V235 F241 I242 W258 R259 | M139-Q238 HydrophobicContact CE-CB 4.1Å; M139-Q238 HydrophobicContact CE-CG 4.19Å; M139-Q238 HydrophobicContact SD-CB 3.47Å; M139-Q238 WeakPolarHBondContact SD-CB 3.34Å; M139-Q238 HydrophobicContact SD-CG 4.15Å; Y234-Q238 HydrophobicContact CD1-CG 4Å; Y234-Q238 HydrophobicContact CD2-CG 4.35Å; Y234-Q238 HydrophobicContact CE1-CG 3.53Å; Y234-Q238 HydrophobicContact CE2-CG 3.97Å; Y234-Q238 HydrophobicContact CG-CG 4.38Å; Y234-Q238 WeakPolarHBondContact O-CG 2.94Å; Y234-Q238 PolarHBondContact O-N 3.24Å; Y234-Q238 PolarHBondContact OH-NE2 3.44Å; V235-Q238 PolarHBondContact O-N 3.28Å; Q238-F241 PolarHBondContact O-N 3.36Å; Q238-I242 HydrophobicContact CB-CD1 4.37Å; Q238-I242 WeakPolarHBondContact O-CB 3.2Å; Q238-I242 VanDerWaalsContact O-CG1 3.24Å; Q238-I242 WeakPolarHBondContact O-CG1 3.34Å; Q238-I242 PolarHBondContact O-N 3.26Å; Q238-W258 HydrophobicContact CG-CE3 4.27Å; Q238-R259 VanDerWaalsContact NE2-CB 3.29Å; Q238-R259 PolarHBondContact NE2-O 3.35Å |
| 239 | M | 96.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 177.5 | -75.5 | -56.7 | -52.5 | 0 | 0 | 111.7 | W138 M139 V142 I202 V235 F241 I242 D243 | W138-M239 HydrophobicContact CH2-CG 4.27Å; W138-M239 HydrophobicContact CH2-SD 4.24Å; W138-M239 HydrophobicContact CZ3-CG 4.38Å; W138-M239 HydrophobicContact CZ3-SD 4.29Å; M139-M239 HydrophobicContact CB-SD 3.66Å; M139-M239 HydrophobicContact CG-CG 4.2Å; M139-M239 HydrophobicContact CG-SD 3.58Å; M139-M239 VanDerWaalsContact CG-SD 3.58Å; M139-M239 HydrophobicContact SD-CG 4.32Å; M139-M239 HydrophobicContact SD-SD 4.34Å; V142-M239 HydrophobicContact CB-CE 3.97Å; V142-M239 HydrophobicContact CG1-CE 3.6Å; I202-M239 HydrophobicContact CD1-CB 4.04Å; I202-M239 HydrophobicContact CD1-CG 3.78Å; I202-M239 HydrophobicContact CG1-CB 4.5Å; I202-M239 HydrophobicContact CG1-CG 4.14Å; V235-M239 HydrophobicContact CG1-CG 4.33Å; V235-M239 WeakPolarHBondContact O-CB 3.47Å; V235-M239 WeakPolarHBondContact O-CG 3.12Å; V235-M239 PolarHBondContact O-N 2.96Å; M239-F241 VanDerWaalsContact C-N 3.31Å; M239-F241 PolarHBondContact O-N 3.25Å; M239-I242 PolarHBondContact O-N 2.96Å; M239-D243 VanDerWaalsContact O-CB 3.27Å; M239-D243 WeakPolarHBondContact O-CB 3.41Å; M239-D243 PolarHBondContact O-N 2.84Å |
| 240 | Q | 94.1 | Very high | 95.5 | Very high | 113 Ų | 113 | 43.3 Ų | 43.3 | 53% | 0.528 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 174.4 | -172.7 | -169.2 | 18.3 | 0 | 0 | 112.3 | R236 | R236-Q240 WeakPolarHBondContact O-CB 3.4Å; R236-Q240 PolarHBondContact O-N 3.19Å |
| 241 | F | 92.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 42 Ų | 42 | 31% | 0.307 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.1 | -39.9 | -179.9 | 179.2 | -102.6 | 0 | 0 | 0 | 112.8 | K237 Q238 M239 L245 K257 R259 | K237-F241 WeakPolarHBondContact O-CB 3.41Å; K237-F241 PolarHBondContact O-N 2.89Å; Q238-F241 PolarHBondContact O-N 3.36Å; M239-F241 VanDerWaalsContact C-N 3.31Å; M239-F241 PolarHBondContact O-N 3.25Å; F241-L245 HydrophobicContact CE1-CD2 4.36Å; F241-L245 HydrophobicContact CZ-CD2 4.32Å; F241-K257 VanDerWaalsContact CE1-O 3.25Å; F241-K257 WeakPolarHBondContact CE1-O 3.36Å; F241-R259 HydrophobicContact CB-CG 4.42Å; F241-R259 HydrophobicContact CG-CG 4.32Å |
| 242 | I | 94.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -79.4 | -35.3 | -175.4 | -68.4 | 167.7 | 0 | 0 | 0 | 111.6 | M139 R143 Q238 M239 A244 L245 V256 W258 | M139-I242 HydrophobicContact CB-CD1 4.42Å; R143-I242 HydrophobicContact CB-CG2 3.66Å; R143-I242 VanDerWaalsContact CD-O 3.23Å; R143-I242 WeakPolarHBondContact CD-O 2.95Å; R143-I242 HydrophobicContact CG-CG2 3.73Å; R143-I242 PolarHBondContact NE-O 3.5Å; Q238-I242 HydrophobicContact CB-CD1 4.37Å; Q238-I242 WeakPolarHBondContact O-CB 3.2Å; Q238-I242 VanDerWaalsContact O-CG1 3.24Å; Q238-I242 WeakPolarHBondContact O-CG1 3.34Å; Q238-I242 PolarHBondContact O-N 3.26Å; M239-I242 PolarHBondContact O-N 2.96Å; I242-A244 PolarHBondContact O-N 2.82Å; I242-L245 HydrophobicContact CB-CD1 4.49Å; I242-L245 HydrophobicContact CG1-CD1 4.37Å; I242-L245 HydrophobicContact CG2-CD1 4.48Å; I242-L245 WeakPolarHBondContact O-CB 3.43Å; I242-L245 PolarHBondContact O-N 3.19Å; I242-L245 VanDerWaalsContact O-N 3.07Å; I242-V256 HydrophobicContact CD1-CG1 4.22Å; I242-V256 HydrophobicContact CG1-CG1 4.43Å; I242-W258 HydrophobicContact CD1-CE3 3.82Å; I242-W258 HydrophobicContact CD1-CH2 3.8Å; I242-W258 HydrophobicContact CD1-CZ3 3.21Å |
| 243 | D | 94.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -34.5 | 174.2 | -153.7 | 57.5 | 0 | 0 | 0 | 111.7 | Q146 M239 L245 | Q146-D243 PolarHBondContact NE2-OD1 2.92Å; M239-D243 VanDerWaalsContact O-CB 3.27Å; M239-D243 WeakPolarHBondContact O-CB 3.41Å; M239-D243 PolarHBondContact O-N 2.84Å; D243-L245 VanDerWaalsContact C-N 3.25Å; D243-L245 PolarHBondContact O-N 3.44Å |
| 244 | A | 93.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 62% | 0.62 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -0.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I242 | I242-A244 PolarHBondContact O-N 2.82Š|
| 245 | L | 94.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -85.4 | 144.5 | 176.4 | -60.1 | 177.3 | 0 | 0 | 0 | 111.8 | R143 F241 I242 D243 G247 L250 | R143-L245 PolarHBondContact NE-O 3.24Å; R143-L245 PolarHBondContact NH2-O 3.19Å; F241-L245 HydrophobicContact CE1-CD2 4.36Å; F241-L245 HydrophobicContact CZ-CD2 4.32Å; I242-L245 HydrophobicContact CB-CD1 4.49Å; I242-L245 HydrophobicContact CG1-CD1 4.37Å; I242-L245 HydrophobicContact CG2-CD1 4.48Å; I242-L245 WeakPolarHBondContact O-CB 3.43Å; I242-L245 PolarHBondContact O-N 3.19Å; I242-L245 VanDerWaalsContact O-N 3.07Å; D243-L245 VanDerWaalsContact C-N 3.25Å; D243-L245 PolarHBondContact O-N 3.44Å; L245-G247 PolarHBondContact O-N 3.26Å; L245-L250 HydrophobicContact CB-CD1 3.81Å; L245-L250 HydrophobicContact CB-CG 4.32Å; L245-L250 HydrophobicContact CD1-CD1 4.31Å; L245-L250 HydrophobicContact CD1-CD2 4.34Å |
| 246 | D | 96.2 | Very high | 95.3 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 54% | 0.535 | 24% | 0.238 | S | C | . | . | trans | -66 | 130.1 | 178.1 | -176.8 | -97.7 | 0 | 0 | 0 | 112.4 | E248 D249 L250 | D246-E248 WeakPolarHBondContact OD1-CA 3.31Å; D246-E248 WeakPolarHBondContact OD1-CB 3.39Å; D246-E248 PolarHBondContact OD1-N 3.06Å; D246-D249 HydrophobicContact CB-CB 4.32Å; D246-D249 PolarHBondContact OD1-N 2.91Å; D246-L250 WeakPolarHBondContact O-CB 3.32Å; D246-L250 VanDerWaalsContact O-CG 3.3Å; D246-L250 WeakPolarHBondContact O-CG 3.46Å; D246-L250 PolarHBondContact O-N 3.41Å; D246-L250 VanDerWaalsContact O-N 3.11Å | ||
| 247 | G | 94.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.5 | -32.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E147 L245 L251 | E147-G247 VanDerWaalsContact CD-CA 3.45Å; E147-G247 WeakPolarHBondContact OE1-CA 3.2Å; L245-G247 PolarHBondContact O-N 3.26Å; G247-L251 WeakPolarHBondContact O-CB 3.42Å; G247-L251 WeakPolarHBondContact O-CG 3.25Å; G247-L251 PolarHBondContact O-N 3.05Å |
| 248 | E | 94.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 49.8 Ų | 49.8 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.3 | -39.8 | 179.7 | -60.6 | -154.3 | -172.5 | 0 | 0 | 111.2 | K90 Y91 D246 L251 L252 | K90-E248 IonicContact NZ-OE1 3.07Å; K90-E248 PolarHBondContact NZ-OE1 3.39Å; K90-E248 IonicContact NZ-OE2 3.17Å; K90-E248 PolarHBondContact NZ-OE2 3.06Å; Y91-E248 WeakPolarHBondContact OH-CB 3.47Å; Y91-E248 WeakPolarHBondContact OH-CG 3.29Å; Y91-E248 PolarHBondContact OH-OE2 3.43Å; D246-E248 WeakPolarHBondContact OD1-CA 3.31Å; D246-E248 WeakPolarHBondContact OD1-CB 3.39Å; D246-E248 PolarHBondContact OD1-N 3.06Å; E248-L251 PolarHBondContact O-N 3.31Å; E248-L252 VanDerWaalsContact O-CG 3.32Å; E248-L252 WeakPolarHBondContact O-CG 3.45Å; E248-L252 PolarHBondContact O-N 3.43Å |
| 249 | D | 96.2 | Very high | 95 | Very high | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 170.4 | -171.4 | 86.8 | 0 | 0 | 0 | 110.8 | D246 L251 L252 T253 | D246-D249 HydrophobicContact CB-CB 4.32Å; D246-D249 PolarHBondContact OD1-N 2.91Å; D249-L251 PolarHBondContact O-N 2.83Å; D249-L252 CarbonylContact O-C 3.54Å; D249-L252 WeakPolarHBondContact O-CA 3.41Å; D249-L252 PolarHBondContact O-N 3.33Å; D249-T253 VanDerWaalsContact CG-CG2 3.45Å; D249-T253 PolarHBondContact O-N 3.39Å; D249-T253 PolarHBondContact O-OG1 3.24Å; D249-T253 VanDerWaalsContact OD1-CG2 3.23Å; D249-T253 WeakPolarHBondContact OD1-CG2 3.37Å; D249-T253 WeakPolarHBondContact OD2-CB 3.36Å; D249-T253 WeakPolarHBondContact OD2-CG2 3.4Å; D249-T253 PolarHBondContact OD2-OG1 2.88Å |
| 250 | L | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -35.5 | 179 | -75.4 | 179.1 | 0 | 0 | 0 | 112.9 | M103 R143 M144 L245 D246 L252 G254 V256 | M103-L250 HydrophobicContact CE-CB 4.11Å; M103-L250 HydrophobicContact CE-CD2 3.92Å; M103-L250 HydrophobicContact CE-CG 4.41Å; R143-L250 HydrophobicContact CG-CD1 3.99Å; M144-L250 HydrophobicContact CE-CB 3.93Å; M144-L250 HydrophobicContact SD-CB 3.8Å; M144-L250 HydrophobicContact SD-CD1 3.9Å; M144-L250 HydrophobicContact SD-CG 4.5Å; L245-L250 HydrophobicContact CB-CD1 3.81Å; L245-L250 HydrophobicContact CB-CG 4.32Å; L245-L250 HydrophobicContact CD1-CD1 4.31Å; L245-L250 HydrophobicContact CD1-CD2 4.34Å; D246-L250 WeakPolarHBondContact O-CB 3.32Å; D246-L250 VanDerWaalsContact O-CG 3.3Å; D246-L250 WeakPolarHBondContact O-CG 3.46Å; D246-L250 PolarHBondContact O-N 3.41Å; D246-L250 VanDerWaalsContact O-N 3.11Å; L250-L252 PolarHBondContact O-N 2.84Å; L250-G254 PolarHBondContact O-N 3.08Å; L250-G254 VanDerWaalsContact O-N 3.13Å; L250-V256 HydrophobicContact CD2-CG2 4.04Å |
| 251 | L | 97.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -20.9 | 173.5 | -80.2 | 178.7 | 0 | 0 | 0 | 114.5 | Y91 M144 E147 E150 M154 G247 E248 D249 | Y91-L251 HydrophobicContact CD2-CB 4.22Å; Y91-L251 HydrophobicContact CD2-CD1 4.07Å; Y91-L251 HydrophobicContact CE2-CB 4.04Å; Y91-L251 HydrophobicContact CE2-CD1 3.63Å; M144-L251 HydrophobicContact CE-CD2 3.62Å; M144-L251 HydrophobicContact CE-CG 3.69Å; E147-L251 HydrophobicContact CB-CD1 4.03Å; E147-L251 HydrophobicContact CB-CG 4.33Å; E150-L251 HydrophobicContact CB-CD1 3.62Å; E150-L251 HydrophobicContact CB-CD2 3.91Å; E150-L251 HydrophobicContact CB-CG 4.45Å; E150-L251 HydrophobicContact CG-CD1 4.39Å; M154-L251 HydrophobicContact CB-CD2 4.33Å; M154-L251 HydrophobicContact CE-CD2 4.09Å; M154-L251 HydrophobicContact SD-CD2 4.35Å; G247-L251 WeakPolarHBondContact O-CB 3.42Å; G247-L251 WeakPolarHBondContact O-CG 3.25Å; G247-L251 PolarHBondContact O-N 3.05Å; E248-L251 PolarHBondContact O-N 3.31Å; D249-L251 PolarHBondContact O-N 2.83Å |
| 252 | L | 95.5 | Very high | 94.8 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -107.4 | -37.7 | -175.7 | -69.2 | 173.3 | 0 | 0 | 0 | 113.5 | Y91 K95 E248 D249 L250 | Y91-L252 HydrophobicContact CD1-CD2 3.71Å; Y91-L252 HydrophobicContact CD1-CG 4.39Å; Y91-L252 HydrophobicContact CE1-CD1 4.13Å; Y91-L252 HydrophobicContact CE1-CD2 4.05Å; Y91-L252 HydrophobicContact CE1-CG 4.26Å; Y91-L252 HydrophobicContact CG-CD2 4.06Å; K95-L252 HydrophobicContact CD-CD2 4.36Å; E248-L252 VanDerWaalsContact O-CG 3.32Å; E248-L252 WeakPolarHBondContact O-CG 3.45Å; E248-L252 PolarHBondContact O-N 3.43Å; D249-L252 CarbonylContact O-C 3.54Å; D249-L252 WeakPolarHBondContact O-CA 3.41Å; D249-L252 PolarHBondContact O-N 3.33Å; L250-L252 PolarHBondContact O-N 2.84Å |
| 253 | T | 96.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -92.9 | -46.6 | -177.1 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | R102 D249 E255 | R102-T253 WeakPolarHBondContact CD-O 3.16Å; R102-T253 PolarHBondContact NH1-O 3.42Å; R102-T253 VanDerWaalsContact NH1-O 3.14Å; D249-T253 VanDerWaalsContact CG-CG2 3.45Å; D249-T253 PolarHBondContact O-N 3.39Å; D249-T253 PolarHBondContact O-OG1 3.24Å; D249-T253 VanDerWaalsContact OD1-CG2 3.23Å; D249-T253 WeakPolarHBondContact OD1-CG2 3.37Å; D249-T253 WeakPolarHBondContact OD2-CB 3.36Å; D249-T253 WeakPolarHBondContact OD2-CG2 3.4Å; D249-T253 PolarHBondContact OD2-OG1 2.88Å; T253-E255 PolarHBondContact OG1-N 3.3Å |
| 254 | G | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | 72 | 15.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A99 R102 M103 L250 V256 | A99-G254 VanDerWaalsContact O-CA 3.26Å; A99-G254 WeakPolarHBondContact O-CA 3.32Å; R102-G254 CarbonylContact C-O 3.56Å; M103-G254 WeakPolarHBondContact CA-O 3.49Å; M103-G254 WeakPolarHBondContact CB-O 3.39Å; M103-G254 PolarHBondContact N-O 3.43Å; M103-G254 VanDerWaalsContact N-O 3.12Å; L250-G254 PolarHBondContact O-N 3.08Å; L250-G254 VanDerWaalsContact O-N 3.13Å; G254-V256 PolarHBondContact O-N 2.8Å | ||
| 255 | E | 96 | Very high | 92.4 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | trans | -89.9 | 98.2 | -167 | -177.6 | 72.9 | -179.9 | 0 | 0 | 111.2 | R110 T253 | R110-E255 IonicContact CZ-OE1 2.81Å; R110-E255 VanDerWaalsContact CZ-OE1 3.31Å; R110-E255 IonicContact CZ-OE2 2.64Å; R110-E255 IonicContact NH1-OE1 3.83Å; R110-E255 PolarHBondContact NH1-OE1 2.81Å; R110-E255 IonicContact NH1-OE2 2.68Å; R110-E255 PolarHBondContact NH1-OE2 2.69Å; R110-E255 VanDerWaalsContact NH2-CD 3.3Å; R110-E255 IonicContact NH2-OE1 3.57Å; R110-E255 PolarHBondContact NH2-OE1 3.34Å; R110-E255 IonicContact NH2-OE2 3.53Å; R110-E255 PolarHBondContact NH2-OE2 3.34Å; T253-E255 PolarHBondContact OG1-N 3.3Å | ||
| 256 | V | 94.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | trans | -102.1 | 136.1 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | M103 C106 R110 I242 L250 G254 W258 | M103-V256 HydrophobicContact CE-CG2 3.88Å; M103-V256 HydrophobicContact CG-CG2 3.89Å; M103-V256 HydrophobicContact SD-CG2 4.43Å; C106-V256 HydrophobicContact CB-CB 4.14Å; C106-V256 PolarHBondContact SG-O 3.38Å; R110-V256 PolarHBondContact NH1-O 3.02Å; I242-V256 HydrophobicContact CD1-CG1 4.22Å; I242-V256 HydrophobicContact CG1-CG1 4.43Å; L250-V256 HydrophobicContact CD2-CG2 4.04Å; G254-V256 PolarHBondContact O-N 2.8Å; V256-W258 HydrophobicContact CG1-CD2 4.12Å; V256-W258 HydrophobicContact CG1-CE3 4.44Å; V256-W258 HydrophobicContact CG1-CH2 4.13Å; V256-W258 HydrophobicContact CG1-CZ2 3.79Å; V256-W258 HydrophobicContact CG1-CZ3 4.46Å | ||
| 257 | K | 93.3 | Very high | 89.3 | Confident | 138 Ų | 138 | 60.5 Ų | 60.5 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | trans | -113 | 133.3 | 170.6 | -65.7 | 177.8 | -176.8 | 173 | 0 | 108.1 | F241 | F241-K257 VanDerWaalsContact CE1-O 3.25Å; F241-K257 WeakPolarHBondContact CE1-O 3.36Å | ||
| 258 | W | 94.1 | Very high | 87.7 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 142.3 | 179.2 | -55.9 | 104.8 | 0 | 0 | 0 | 110 | C106 I111 H136 M139 Q238 I242 V256 | C106-W258 PolarHBondContact O-NE1 3.44Å; I111-W258 HydrophobicContact CD1-CB 3.7Å; I111-W258 HydrophobicContact CD1-CD2 3.82Å; I111-W258 HydrophobicContact CD1-CG 3.33Å; I111-W258 HydrophobicContact CG1-CG 4.39Å; H136-W258 HydrophobicContact CB-CH2 3.8Å; H136-W258 HydrophobicContact CB-CZ2 3.76Å; H136-W258 HydrophobicContact CB-CZ3 4.42Å; H136-W258 AromaticContact CD2-CD2 3.83Å; H136-W258 AromaticContact CD2-CE2 3.99Å; H136-W258 AromaticContact CD2-CE3 3.65Å; H136-W258 AromaticContact CD2-CH2 3.9Å; H136-W258 AromaticContact CD2-CZ3 3.68Å; H136-W258 WeakPolarHBondContact O-CH2 3.35Å; M139-W258 HydrophobicContact CB-CH2 4.37Å; M139-W258 HydrophobicContact CB-CZ3 4.32Å; M139-W258 HydrophobicContact CE-CE3 4.37Å; M139-W258 HydrophobicContact CE-CH2 4.29Å; M139-W258 HydrophobicContact CE-CZ3 3.64Å; M139-W258 HydrophobicContact SD-CZ3 4.41Å; Q238-W258 HydrophobicContact CG-CE3 4.27Å; I242-W258 HydrophobicContact CD1-CE3 3.82Å; I242-W258 HydrophobicContact CD1-CH2 3.8Å; I242-W258 HydrophobicContact CD1-CZ3 3.21Å; V256-W258 HydrophobicContact CG1-CD2 4.12Å; V256-W258 HydrophobicContact CG1-CE3 4.44Å; V256-W258 HydrophobicContact CG1-CH2 4.13Å; V256-W258 HydrophobicContact CG1-CZ2 3.79Å; V256-W258 HydrophobicContact CG1-CZ3 4.46Å |
| 259 | R | 92.7 | Very high | 85.8 | Confident | 49 Ų | 49 | 60 Ų | 60 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 153.7 | 164.9 | -35.1 | -173.4 | 113.5 | -139.7 | 9.6 | 109.1 | Q238 F241 E263 S268 | Q238-R259 VanDerWaalsContact NE2-CB 3.29Å; Q238-R259 PolarHBondContact NE2-O 3.35Å; F241-R259 HydrophobicContact CB-CG 4.42Å; F241-R259 HydrophobicContact CG-CG 4.32Å; R259-E263 WeakPolarHBondContact CD-OE1 3.38Å; R259-E263 IonicContact CZ-OE1 3.62Å; R259-E263 IonicContact NE-OE1 3.54Å; R259-E263 IonicContact NH1-OE1 2.68Å; R259-E263 PolarHBondContact NH1-OE1 3.22Å; R259-E263 IonicContact NH1-OE2 3.18Å; R259-S268 PolarHBondContact NH1-OG 2.8Å; R259-S268 PolarHBondContact NH2-O 2.83Å |
| 260 | P | 92.9 | Very high | 83.8 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 163.4 | 176.8 | 30.1 | -36.7 | 0 | 0 | 0 | 111.4 | Y234 V262 E263 | Y234-P260 WeakPolarHBondContact CE2-O 3.36Å; P260-V262 WeakPolarHBondContact CB-O 3.43Å; P260-V262 WeakPolarHBondContact CG-O 3.27Å; P260-E263 HydrophobicContact CG-CG 3.91Å |
| 261 | L | 94.1 | Very high | 81.7 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -69.7 | -48.7 | 178.4 | 177 | 58.7 | 0 | 0 | 0 | 110.7 | E115 F116 K119 L230 M231 Y234 | E115-L261 HydrophobicContact CG-CB 4.26Å; E115-L261 HydrophobicContact CG-CD2 4.31Å; F116-L261 HydrophobicContact CB-CD2 4.43Å; F116-L261 HydrophobicContact CD1-CD2 3.93Å; F116-L261 HydrophobicContact CD2-CD2 4.07Å; F116-L261 HydrophobicContact CE1-CD1 4.04Å; F116-L261 HydrophobicContact CE1-CD2 4.17Å; F116-L261 HydrophobicContact CE2-CB 4.15Å; F116-L261 HydrophobicContact CE2-CD2 4.29Å; F116-L261 HydrophobicContact CG-CD2 3.89Å; F116-L261 HydrophobicContact CZ-CB 4.34Å; F116-L261 HydrophobicContact CZ-CD1 4.12Å; F116-L261 HydrophobicContact CZ-CD2 4.34Å; K119-L261 HydrophobicContact CB-CD2 4.07Å; K119-L261 HydrophobicContact CG-CD2 4.27Å; L230-L261 HydrophobicContact CD1-CD1 4.38Å; L230-L261 HydrophobicContact CD2-CD1 4.45Å; L230-L261 HydrophobicContact CD2-CD2 4.5Å; L230-L261 HydrophobicContact CD2-CG 4.31Å; L230-L261 HydrophobicContact CG-CD1 4.17Å; L230-L261 HydrophobicContact CG-CG 4.48Å; M231-L261 HydrophobicContact SD-CD1 3.84Å; Y234-L261 HydrophobicContact CD1-CD1 4.34Å; Y234-L261 HydrophobicContact CD2-CB 4.36Å; Y234-L261 HydrophobicContact CD2-CD1 3.56Å; Y234-L261 HydrophobicContact CE2-CB 4.3Å; Y234-L261 HydrophobicContact CE2-CD1 4.14Å; Y234-L261 HydrophobicContact CG-CD1 3.66Å |
| 262 | V | 91.8 | Very high | 79.5 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 39% | 0.394 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -99.2 | 128.6 | 168.7 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | E115 K119 L230 P260 | E115-V262 PolarHBondContact OE1-N 2.84Å; E115-V262 VanDerWaalsContact OE1-N 3.13Å; K119-V262 HydrophobicContact CG-CG2 4.38Å; L230-V262 HydrophobicContact CD1-CG2 4.34Å; P260-V262 WeakPolarHBondContact CB-O 3.43Å; P260-V262 WeakPolarHBondContact CG-O 3.27Å |
| 263 | E | 81.1 | Confident | 77.2 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 16% | 0.159 | 41% | 0.414 | C | S | . | . | trans | -102.6 | 122.1 | 175.2 | -74.6 | -177.3 | 171.2 | 0 | 0 | 111.5 | K237 R259 P260 N265 S268 | K237-E263 WeakPolarHBondContact CE-OE2 3.21Å; K237-E263 IonicContact NZ-OE2 3.99Å; K237-E263 PolarHBondContact NZ-OE2 3.45Å; R259-E263 WeakPolarHBondContact CD-OE1 3.38Å; R259-E263 IonicContact CZ-OE1 3.62Å; R259-E263 IonicContact NE-OE1 3.54Å; R259-E263 IonicContact NH1-OE1 2.68Å; R259-E263 PolarHBondContact NH1-OE1 3.22Å; R259-E263 IonicContact NH1-OE2 3.18Å; P260-E263 HydrophobicContact CG-CG 3.91Å; E263-N265 PolarHBondContact O-N 3.01Å; E263-S268 PolarHBondContact OE2-OG 3.35Å | ||
| 264 | E | 74.9 | Confident | 74.8 | Confident | 208 Ų | 208 | 81.1 Ų | 81.1 | 97% | 0.972 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -67.9 | -14.6 | 176.3 | -60 | -177.4 | 163.7 | 0 | 0 | 113.8 | ||
| 265 | N | 75.1 | Confident | 72.4 | Confident | 95 Ų | 95 | 86.9 Ų | 86.9 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | trans | -139.4 | 101.9 | -176.3 | -177.5 | -2 | 0 | 0 | 0 | 112.3 | E263 Q267 S268 | E263-N265 PolarHBondContact O-N 3.01Å; N265-Q267 PolarHBondContact O-N 3.2Å; N265-Q267 VanDerWaalsContact O-N 3.14Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.27Å; N265-Q267 PolarHBondContact OD1-N 2.93Å; N265-S268 VanDerWaalsContact O-CB 3.24Å; N265-S268 WeakPolarHBondContact O-CB 3.41Å; N265-S268 PolarHBondContact O-N 3.41Å; N265-S268 VanDerWaalsContact O-N 3.09Å; N265-S268 PolarHBondContact O-OG 2.81Å | ||
| 266 | A | 62.7 | Low | 70 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -60.9 | -19.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S268 I269 | A266-S268 PolarHBondContact O-N 3.46Å; A266-I269 WeakPolarHBondContact O-CD1 3.47Å; A266-I269 WeakPolarHBondContact O-CG1 3.29Å |
| 267 | Q | 61.8 | Low | 67.7 | Low | 129 Ų | 129 | 98.4 Ų | 98.4 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -72.6 | -9.3 | 175.7 | -60.3 | -169.3 | 0.4 | 0 | 0 | 113.3 | N265 I269 L270 | N265-Q267 PolarHBondContact O-N 3.2Å; N265-Q267 VanDerWaalsContact O-N 3.14Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.27Å; N265-Q267 PolarHBondContact OD1-N 2.93Å; Q267-I269 PolarHBondContact O-N 3.22Å; Q267-I269 VanDerWaalsContact O-N 3.14Å; Q267-L270 PolarHBondContact O-N 3.31Å |
| 268 | S | 61.5 | Low | 66 | Low | 33 Ų | 33 | 97.6 Ų | 97.6 | 23% | 0.231 | 53% | 0.528 | C | S | . | . | G | 310 helix | trans | -54.9 | -28 | 174.1 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | R259 E263 N265 A266 | R259-S268 PolarHBondContact NH1-OG 2.8Å; R259-S268 PolarHBondContact NH2-O 2.83Å; E263-S268 PolarHBondContact OE2-OG 3.35Å; N265-S268 VanDerWaalsContact O-CB 3.24Å; N265-S268 WeakPolarHBondContact O-CB 3.41Å; N265-S268 PolarHBondContact O-N 3.41Å; N265-S268 VanDerWaalsContact O-N 3.09Å; N265-S268 PolarHBondContact O-OG 2.81Å; A266-S268 PolarHBondContact O-N 3.46Å |
| 269 | I | 55.2 | Low | 64.4 | Low | 52 Ų | 52 | 103 Ų | 103 | 27% | 0.267 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -72.6 | -33.9 | -174.4 | -51.3 | 167.8 | 0 | 0 | 0 | 110.8 | K237 A266 Q267 | K237-I269 HydrophobicContact CD-CG1 4.47Å; K237-I269 VanDerWaalsContact CE-CD1 3.46Å; K237-I269 HydrophobicContact CG-CG1 4.47Å; A266-I269 WeakPolarHBondContact O-CD1 3.47Å; A266-I269 WeakPolarHBondContact O-CG1 3.29Å; Q267-I269 PolarHBondContact O-N 3.22Å; Q267-I269 VanDerWaalsContact O-N 3.14Å |
| 270 | L | 54.8 | Low | 62.6 | Low | 150 Ų | 150 | 107 Ų | 107 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -90.3 | -6.5 | -170.1 | -59.3 | 179.1 | 0 | 0 | 0 | 113.9 | Q267 | Q267-L270 PolarHBondContact O-N 3.31Š|
| 271 | K | 51.6 | Low | 60.7 | Low | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | trans | -133 | 96.6 | -176.5 | -69.6 | -179.1 | -179.9 | 174 | 0 | 110.6 | V273 | K271-V273 PolarHBondContact O-N 3.39Š| ||
| 272 | V | 51.6 | Low | 58 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 79% | 0.794 | 66% | 0.66 | S | S | * | * | trans | -57 | 119.9 | 153.9 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | S274 | V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.14Å | ||
| 273 | V | 48.1 | Very low | 56.4 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | -75 | 90.8 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | K271 | K271-V273 PolarHBondContact O-N 3.39Š| ||
| 274 | S | 45.2 | Very low | 55.1 | Low | 87 Ų | 87 | 125.4 Ų | 125.4 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -58.4 | 141.3 | 167.9 | 53 | 0 | 0 | 0 | 0 | 109.3 | V272 T276 | V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.14Å; S274-T276 PolarHBondContact O-N 3.36Å | ||
| 275 | P | 47.9 | Very low | 54 | Low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -56.4 | 125.1 | 177.2 | -22.4 | 32.7 | 0 | 0 | 0 | 110.2 | Y277 | P275-Y277 VanDerWaalsContact C-N 3.34Å; P275-Y277 PolarHBondContact O-N 3.39Å | ||
| 276 | T | 45.1 | Very low | 52.7 | Low | 121 Ų | 121 | 122.3 Ų | 122.3 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | trans | -68.1 | 96.4 | 171.7 | -40.5 | 0 | 0 | 0 | 0 | 107.9 | S274 N278 | S274-T276 PolarHBondContact O-N 3.36Å; T276-N278 PolarHBondContact O-N 2.99Å | ||
| 277 | Y | 47 | Very low | 52.1 | Low | 195 Ų | 195 | 125.6 Ų | 125.6 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | trans | -70.1 | 114.6 | 170.4 | -147 | -93.8 | 0 | 0 | 0 | 107.1 | P275 D279 | P275-Y277 VanDerWaalsContact C-N 3.34Å; P275-Y277 PolarHBondContact O-N 3.39Å; Y277-D279 PolarHBondContact O-N 3.26Å; Y277-D279 VanDerWaalsContact O-N 3.16Å | ||
| 278 | N | 57.7 | Low | 51.4 | Low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | trans | -78.5 | 99.2 | 175.2 | -75.6 | -10.1 | 0 | 0 | 0 | 107.6 | T276 T280 | T276-N278 PolarHBondContact O-N 2.99Å; N278-T280 PolarHBondContact O-N 3.13Å | ||
| 279 | D | 59.3 | Low | 50.7 | Low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -66 | 13.9 | -179.2 | -65.5 | -33.4 | 0 | 0 | 0 | 114.6 | Y277 G281 | Y277-D279 PolarHBondContact O-N 3.26Å; Y277-D279 VanDerWaalsContact O-N 3.16Å; D279-G281 VanDerWaalsContact C-N 3.34Å; D279-G281 PolarHBondContact O-N 3.23Å; D279-G281 VanDerWaalsContact O-N 3.12Å | ||
| 280 | T | 55 | Low | 50.4 | Low | 133 Ų | 133 | 138.2 Ų | 138.2 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -82.7 | 74.4 | 171.3 | 56.5 | 0 | 0 | 0 | 0 | 110 | N278 | N278-T280 PolarHBondContact O-N 3.13Š| ||
| 281 | G | 53.2 | Low | 50 | Low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -158.5 | 22.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | D279 | D279-G281 VanDerWaalsContact C-N 3.34Å; D279-G281 PolarHBondContact O-N 3.23Å; D279-G281 VanDerWaalsContact O-N 3.12Å | ||
| 282 | L | 38.5 | Very low | 49.9 | Very low | 247 Ų | 247 | 136.5 Ų | 136.5 | 100% | 1.293 | 79% | 0.794 | S | S | * | * | trans | -133.5 | 0 | 169.3 | -79.7 | 173.2 | 0 | 0 | 0 | 110.1 |
Retrieved 282 of 282 residues in 529.5 ms
(Link to these results)