| 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 | 29.5 | Very low | 26.1 | Very low | 207 Ų | 207 | 93.9 Ų | 93.9 | 100% | 1.02 | 48% | 0.479 | S | S | * | . | 0 | -47.3 | 0 | -137 | 171.8 | -166.9 | 0 | 0 | 110.9 | R4 F5 | M1-R4 PolarHBondContact O-N 3.34Å; M1-F5 PolarHBondContact O-N 3.26Å | |||
| 2 | V | 25.5 | Very low | 26 | Very low | 46 Ų | 46 | 89.9 Ų | 89.9 | 28% | 0.279 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 114.2 | R4 F5 S6 D53 | V2-R4 VanDerWaalsContact C-N 3.29Å; V2-R4 PolarHBondContact O-N 3.05Å; V2-F5 WeakPolarHBondContact O-CA 3.09Å; V2-F5 WeakPolarHBondContact O-CB 3.28Å; V2-F5 PolarHBondContact O-N 3.25Å; V2-S6 PolarHBondContact O-N 2.85Å; V2-D53 WeakPolarHBondContact CG1-OD1 3.42Å |
| 3 | T | 24.3 | Very low | 26.2 | Very low | 117 Ų | 117 | 87.5 Ų | 87.5 | 72% | 0.718 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69 | -26 | 179.3 | -23.4 | 0 | 0 | 0 | 0 | 113.3 | F5 S6 | T3-F5 VanDerWaalsContact C-N 3.33Å; T3-S6 PolarHBondContact O-OG 3.28Å |
| 4 | R | 27.3 | Very low | 26 | Very low | 152 Ų | 152 | 82.6 Ų | 82.6 | 57% | 0.574 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -78.2 | -21.5 | 170.1 | -98.5 | -176.1 | -180 | 177.5 | 3.5 | 112.3 | M1 V2 L8 | M1-R4 PolarHBondContact O-N 3.34Å; V2-R4 VanDerWaalsContact C-N 3.29Å; V2-R4 PolarHBondContact O-N 3.05Å; R4-L8 PolarHBondContact O-N 2.98Å; R4-L8 VanDerWaalsContact O-N 3.08Å |
| 5 | F | 26 | Very low | 25.9 | Very low | 75 Ų | 75 | 82.6 Ų | 82.6 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 178.3 | -127.5 | -90 | 0 | 0 | 0 | 110.5 | M1 V2 T3 F9 L58 | M1-F5 PolarHBondContact O-N 3.26Å; V2-F5 WeakPolarHBondContact O-CA 3.09Å; V2-F5 WeakPolarHBondContact O-CB 3.28Å; V2-F5 PolarHBondContact O-N 3.25Å; T3-F5 VanDerWaalsContact C-N 3.33Å; F5-F9 VanDerWaalsContact O-CB 3.23Å; F5-F9 WeakPolarHBondContact O-CB 3.32Å; F5-F9 PolarHBondContact O-N 3.25Å; F5-L58 HydrophobicContact CE1-CD1 4.34Å |
| 6 | S | 26.3 | Very low | 26.1 | Very low | 66 Ų | 66 | 81.7 Ų | 81.7 | 46% | 0.462 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 176.6 | 74.5 | 0 | 0 | 0 | 0 | 112.4 | V2 T3 F9 D10 | V2-S6 PolarHBondContact O-N 2.85Å; T3-S6 PolarHBondContact O-OG 3.28Å; S6-F9 PolarHBondContact O-N 3.21Å; S6-D10 WeakPolarHBondContact O-CB 3.46Å; S6-D10 PolarHBondContact O-N 2.65Å |
| 7 | V | 25.6 | Very low | 26.1 | Very low | 75 Ų | 75 | 88.4 Ų | 88.4 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | -177.8 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | Q11 | V7-Q11 WeakPolarHBondContact O-CB 3.25Å; V7-Q11 WeakPolarHBondContact O-CG 3.37Å; V7-Q11 PolarHBondContact O-N 3.33Å |
| 8 | L | 24 | Very low | 26.4 | Very low | 31 Ų | 31 | 84.1 Ų | 84.1 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -76.1 | -32.4 | 175.9 | -83.6 | 165.2 | 0 | 0 | 0 | 112.4 | R4 Q11 F12 | R4-L8 PolarHBondContact O-N 2.98Å; R4-L8 VanDerWaalsContact O-N 3.08Å; L8-Q11 PolarHBondContact O-N 3.35Å; L8-F12 HydrophobicContact CD2-CD2 4.39Å; L8-F12 HydrophobicContact CD2-CE2 4.34Å; L8-F12 PolarHBondContact O-N 3.48Å; L8-F12 VanDerWaalsContact O-N 3.13Å |
| 9 | F | 26.9 | Very low | 26.5 | Very low | 73 Ų | 73 | 87.3 Ų | 87.3 | 32% | 0.32 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | 169.9 | -161.2 | -96.7 | 0 | 0 | 0 | 109.8 | F5 S6 Q11 V13 F130 | F5-F9 VanDerWaalsContact O-CB 3.23Å; F5-F9 WeakPolarHBondContact O-CB 3.32Å; F5-F9 PolarHBondContact O-N 3.25Å; S6-F9 PolarHBondContact O-N 3.21Å; F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-Q11 PolarHBondContact O-N 2.9Å; F9-V13 HydrophobicContact CD1-CG2 4.19Å; F9-V13 HydrophobicContact CE1-CG2 4.12Å; F9-V13 HydrophobicContact CZ-CG2 4.4Å; F9-V13 WeakPolarHBondContact O-CA 3.28Å; F9-V13 WeakPolarHBondContact O-CB 3.34Å; F9-V13 VanDerWaalsContact O-CG2 3.22Å; F9-V13 WeakPolarHBondContact O-CG2 3.19Å; F9-V13 PolarHBondContact O-N 3.46Å; F9-F130 HydrophobicContact CD2-CE1 4.25Å; F9-F130 AromaticContact CD2-CZ 3.66Å; F9-F130 HydrophobicContact CD2-CZ 3.66Å; F9-F130 HydrophobicContact CE2-CZ 4.03Å |
| 10 | D | 26.5 | Very low | 26.7 | Very low | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70 | -20 | 176.4 | -86.5 | -17.4 | 0 | 0 | 0 | 114.8 | S6 V13 | S6-D10 WeakPolarHBondContact O-CB 3.46Å; S6-D10 PolarHBondContact O-N 2.65Å; D10-V13 CarbonylContact C-O 3.49Å |
| 11 | Q | 25.1 | Very low | 26.9 | Very low | 100 Ų | 100 | 85 Ų | 85 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -86.9 | -33.2 | 178 | -84.4 | -175.3 | -7.2 | 0 | 0 | 113.4 | V7 L8 F9 | V7-Q11 WeakPolarHBondContact O-CB 3.25Å; V7-Q11 WeakPolarHBondContact O-CG 3.37Å; V7-Q11 PolarHBondContact O-N 3.33Å; L8-Q11 PolarHBondContact O-N 3.35Å; F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-Q11 PolarHBondContact O-N 2.9Å |
| 12 | F | 25.4 | Very low | 26.9 | Very low | 46 Ų | 46 | 76.4 Ų | 76.4 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -95.1 | -28.5 | 177.5 | -86.5 | -81.6 | 0 | 0 | 0 | 113.3 | L8 A14 V133 Y152 I155 | L8-F12 HydrophobicContact CD2-CD2 4.39Å; L8-F12 HydrophobicContact CD2-CE2 4.34Å; L8-F12 PolarHBondContact O-N 3.48Å; L8-F12 VanDerWaalsContact O-N 3.13Å; F12-A14 PolarHBondContact O-N 2.95Å; F12-A14 VanDerWaalsContact O-N 3.12Å; F12-V133 HydrophobicContact CD2-CG1 3.98Å; F12-V133 HydrophobicContact CE2-CG1 3.51Å; F12-V133 HydrophobicContact CZ-CG1 4.1Å; F12-Y152 VanDerWaalsContact CE1-O 3.25Å; F12-Y152 WeakPolarHBondContact CE1-O 3.46Å; F12-Y152 HydrophobicContact CE2-CD1 4.2Å; F12-Y152 HydrophobicContact CZ-CD1 4.08Å; F12-I155 HydrophobicContact CZ-CB 4.16Å; F12-I155 HydrophobicContact CZ-CG2 3.82Å |
| 13 | V | 27.7 | Very low | 26.9 | Very low | 58 Ų | 58 | 78 Ų | 78 | 35% | 0.352 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -77.1 | 88.7 | 155.1 | -176.8 | 0 | 0 | 0 | 0 | 104.3 | F9 D10 | F9-V13 HydrophobicContact CD1-CG2 4.19Å; F9-V13 HydrophobicContact CE1-CG2 4.12Å; F9-V13 HydrophobicContact CZ-CG2 4.4Å; F9-V13 WeakPolarHBondContact O-CA 3.28Å; F9-V13 WeakPolarHBondContact O-CB 3.34Å; F9-V13 VanDerWaalsContact O-CG2 3.22Å; F9-V13 WeakPolarHBondContact O-CG2 3.19Å; F9-V13 PolarHBondContact O-N 3.46Å; D10-V13 CarbonylContact C-O 3.49Å |
| 14 | A | 24.1 | Very low | 27 | Very low | 19 Ų | 19 | 78.8 Ų | 78.8 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | trans | -38.3 | 140.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F12 V16 L222 | F12-A14 PolarHBondContact O-N 2.95Å; F12-A14 VanDerWaalsContact O-N 3.12Å; A14-V16 WeakPolarHBondContact O-CG2 3.47Å; A14-V16 PolarHBondContact O-N 3.36Å; A14-L222 HydrophobicContact CB-CD1 3.84Å; A14-L222 HydrophobicContact CB-CD2 4Å | ||
| 15 | P | 24 | Very low | 27 | Very low | 83 Ų | 83 | 77.9 Ų | 77.9 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | trans | -62.3 | 92.9 | 178.1 | 25.4 | -32.2 | 0 | 0 | 0 | 106.8 | K17 R226 | P15-K17 PolarHBondContact O-N 3.47Å; P15-R226 PolarHBondContact O-NH2 3.04Å | ||
| 16 | V | 28.7 | Very low | 26.9 | Very low | 68 Ų | 68 | 81 Ų | 81 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | trans | -72 | 79.2 | 166.1 | 177.6 | 0 | 0 | 0 | 0 | 102 | A14 S18 | A14-V16 WeakPolarHBondContact O-CG2 3.47Å; A14-V16 PolarHBondContact O-N 3.36Å; V16-S18 WeakPolarHBondContact CG1-O 3.25Å; V16-S18 WeakPolarHBondContact CG1-OG 3.44Å; V16-S18 PolarHBondContact O-N 3.04Å | ||
| 17 | K | 26.4 | Very low | 27.1 | Very low | 196 Ų | 196 | 86.5 Ų | 86.5 | 85% | 0.852 | 42% | 0.423 | S | S | * | . | trans | -71.5 | 64.4 | 166.8 | -140.1 | -165.7 | -170.6 | -168.5 | 0 | 105.4 | P15 | P15-K17 PolarHBondContact O-N 3.47Š| ||
| 18 | S | 31.3 | Very low | 27.1 | Very low | 11 Ų | 11 | 88.4 Ų | 88.4 | 8% | 0.077 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -173.8 | 89.9 | -169.2 | 32.6 | 0 | 0 | 0 | 0 | 111.8 | V16 Y225 H244 | V16-S18 WeakPolarHBondContact CG1-O 3.25Å; V16-S18 WeakPolarHBondContact CG1-OG 3.44Å; V16-S18 PolarHBondContact O-N 3.04Å; S18-Y225 WeakPolarHBondContact CB-OH 3.44Å; S18-Y225 PolarHBondContact OG-OH 2.97Å; S18-H244 WeakPolarHBondContact CB-CE1 3.42Å; S18-H244 WeakPolarHBondContact CB-ND1 3.32Å |
| 19 | Y | 28.8 | Very low | 27.3 | Very low | 145 Ų | 145 | 90.5 Ų | 90.5 | 57% | 0.569 | 44% | 0.441 | S | S | * | . | trans | 45.2 | 138 | 148.3 | -60.1 | -83.4 | 0 | 0 | 0 | 120.3 | L21 H244 | Y19-L21 PolarHBondContact O-N 3.43Å; Y19-H244 AromaticContact CD2-CD2 3.49Å; Y19-H244 VanDerWaalsContact CD2-CD2 3.49Å; Y19-H244 WeakPolarHBondContact CD2-CD2 3.22Å; Y19-H244 AromaticContact CD2-NE2 3.49Å; Y19-H244 WeakPolarHBondContact CD2-NE2 3.31Å; Y19-H244 AromaticContact CE2-NE2 3.87Å | ||
| 20 | P | 30.4 | Very low | 27.3 | Very low | 60 Ų | 60 | 92.6 Ų | 92.6 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -69.9 | 111.6 | -159 | 30.5 | -33 | 0 | 0 | 0 | 110.7 | T22 | P20-T22 PolarHBondContact O-N 3.41Š| ||
| 21 | L | 30.6 | Very low | 27.8 | Very low | 67 Ų | 67 | 91.4 Ų | 91.4 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | trans | -78.5 | 17.7 | 166.7 | -119.4 | 142.8 | 0 | 0 | 0 | 111.9 | Y19 I23 | Y19-L21 PolarHBondContact O-N 3.43Å; L21-I23 PolarHBondContact O-N 2.99Å | ||
| 22 | T | 29.5 | Very low | 28.9 | Very low | 26 Ų | 26 | 96.4 Ų | 96.4 | 16% | 0.16 | 47% | 0.469 | C | S | . | . | trans | -74.2 | 107.9 | 165.7 | -39.8 | 0 | 0 | 0 | 0 | 106.1 | P20 R24 T315 D318 | P20-T22 PolarHBondContact O-N 3.41Å; T22-R24 PolarHBondContact O-N 2.89Å; T22-T315 HydrophobicContact CG2-CG2 4.44Å; T22-D318 WeakPolarHBondContact CG2-OD2 3.37Å; T22-D318 PolarHBondContact OG1-OD2 3.28Å | ||
| 23 | I | 26.7 | Very low | 29.7 | Very low | 80 Ų | 80 | 100.5 Ų | 100.5 | 41% | 0.41 | 49% | 0.493 | S | S | . | . | trans | -56.6 | 100.2 | 160.5 | -64.3 | 178.1 | 0 | 0 | 0 | 104.5 | L21 F25 A311 T315 | L21-I23 PolarHBondContact O-N 2.99Å; I23-F25 HydrophobicContact CB-CE2 4.29Å; I23-F25 HydrophobicContact CG2-CD2 3.88Å; I23-F25 HydrophobicContact CG2-CE2 3.58Å; I23-F25 HydrophobicContact CG2-CZ 3.98Å; I23-F25 PolarHBondContact O-N 3.43Å; I23-A311 HydrophobicContact CD1-CB 3.58Å; I23-A311 HydrophobicContact CG1-CB 3.98Å; I23-T315 PolarHBondContact O-OG1 2.94Å | ||
| 24 | R | 25.5 | Very low | 30 | Very low | 133 Ų | 133 | 99.8 Ų | 99.8 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | trans | -69.7 | 84.6 | 177.3 | -75.6 | -171.7 | -177.3 | -155.8 | -1.3 | 106.4 | T22 H26 Y42 | T22-R24 PolarHBondContact O-N 2.89Å; R24-H26 PolarHBondContact O-N 3.34Å; R24-Y42 PolarHBondContact NH2-OH 3.23Å | ||
| 25 | F | 27.6 | Very low | 30.2 | Very low | 132 Ų | 132 | 104.1 Ų | 104.1 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | trans | -63 | 100.3 | 155.3 | -71.8 | -78.3 | 0 | 0 | 0 | 105.6 | I23 F27 T315 | I23-F25 HydrophobicContact CB-CE2 4.29Å; I23-F25 HydrophobicContact CG2-CD2 3.88Å; I23-F25 HydrophobicContact CG2-CE2 3.58Å; I23-F25 HydrophobicContact CG2-CZ 3.98Å; I23-F25 PolarHBondContact O-N 3.43Å; F25-F27 HydrophobicContact CB-CD2 3.76Å; F25-F27 HydrophobicContact CB-CE2 3.9Å; F25-F27 HydrophobicContact CD1-CE2 4.38Å; F25-F27 HydrophobicContact CG-CE2 4.41Å; F25-F27 PolarHBondContact O-N 3.44Å; F25-T315 HydrophobicContact CD2-CG2 4.44Å | ||
| 26 | H | 24 | Very low | 30.7 | Very low | 141 Ų | 141 | 105.1 Ų | 105.1 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | trans | -64.9 | 71.5 | 171.6 | -92.5 | -95.3 | 0 | 0 | 0 | 108.8 | R24 K28 | R24-H26 PolarHBondContact O-N 3.34Å; H26-K28 VanDerWaalsContact C-N 3.27Å; H26-K28 PolarHBondContact O-N 3.17Å | ||
| 27 | F | 29.4 | Very low | 30.8 | Very low | 182 Ų | 182 | 106.2 Ų | 106.2 | 80% | 0.798 | 52% | 0.518 | S | S | * | . | trans | -86.3 | 81.3 | 159.5 | -75.5 | -76.9 | 0 | 0 | 0 | 106.4 | F25 P29 | F25-F27 HydrophobicContact CB-CD2 3.76Å; F25-F27 HydrophobicContact CB-CE2 3.9Å; F25-F27 HydrophobicContact CD1-CE2 4.38Å; F25-F27 HydrophobicContact CG-CE2 4.41Å; F25-F27 PolarHBondContact O-N 3.44Å; F27-P29 WeakPolarHBondContact O-CD 3.26Å | ||
| 28 | K | 25.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 101.4 Ų | 101.4 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 122.3 | 162 | -76.9 | -168.4 | -179.8 | -177.2 | 0 | 106.1 | H26 L30 I36 | H26-K28 VanDerWaalsContact C-N 3.27Å; H26-K28 PolarHBondContact O-N 3.17Å; K28-L30 PolarHBondContact O-N 2.85Å; K28-I36 HydrophobicContact CB-CG2 4.16Å; K28-I36 HydrophobicContact CD-CG2 3.24Å; K28-I36 HydrophobicContact CG-CG2 4.34Å |
| 29 | P | 28.6 | Very low | 31.5 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 132.7 | 176 | 23.8 | -30.5 | 0 | 0 | 0 | 109.1 | F27 | F27-P29 WeakPolarHBondContact O-CD 3.26Š|
| 30 | L | 28.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 105.8 Ų | 105.8 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | B | Isolated β-bridge | trans | -82.3 | 136 | 174.9 | -61.8 | 162.2 | 0 | 0 | 0 | 107.4 | K28 G34 N35 | K28-L30 PolarHBondContact O-N 2.85Å; L30-G34 VanDerWaalsContact CD2-O 3.31Å; L30-G34 WeakPolarHBondContact CD2-O 3.42Å; L30-N35 WeakPolarHBondContact CA-O 3.32Å |
| 31 | D | 35.4 | Very low | 31.8 | Very low | 66 Ų | 66 | 108.1 Ų | 108.1 | 35% | 0.353 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 168.3 | 167.2 | -152.6 | -22.8 | 0 | 0 | 0 | 110.2 | D33 G34 N35 Q37 | D31-D33 PolarHBondContact O-N 3.49Å; D31-G34 PolarHBondContact O-N 3.48Å; D31-N35 PolarHBondContact N-O 3.19Å; D31-Q37 HydrophobicContact CB-CG 4.13Å; D31-Q37 PolarHBondContact OD1-NE2 3.01Å; D31-Q37 PolarHBondContact OD2-NE2 3.09Å |
| 32 | K | 48.4 | Very low | 32 | Very low | 205 Ų | 205 | 111.7 Ų | 111.7 | 89% | 0.891 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -23.8 | 176.2 | -67.6 | -173 | -179.7 | 177.9 | 0 | 112.9 | ||
| 33 | D | 42.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 113.9 Ų | 113.9 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 12.4 | 176.4 | -57.6 | -39 | 0 | 0 | 0 | 114.1 | D31 N35 | D31-D33 PolarHBondContact O-N 3.49Å; D33-N35 VanDerWaalsContact C-N 3.31Å; D33-N35 PolarHBondContact O-N 3.07Å |
| 34 | G | 33.6 | Very low | 33.1 | Very low | 43 Ų | 43 | 112.6 Ų | 112.6 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | S | Bend | trans | 75.6 | 14.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L30 D31 | L30-G34 VanDerWaalsContact CD2-O 3.31Å; L30-G34 WeakPolarHBondContact CD2-O 3.42Å; D31-G34 PolarHBondContact O-N 3.48Å |
| 35 | N | 28.9 | Very low | 34.2 | Very low | 110 Ų | 110 | 108.4 Ų | 108.4 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | trans | -101 | 147.1 | -176.8 | -70.1 | -43.1 | 0 | 0 | 0 | 112.6 | L30 D31 D33 Q37 | L30-N35 WeakPolarHBondContact CA-O 3.32Å; D31-N35 PolarHBondContact N-O 3.19Å; D33-N35 VanDerWaalsContact C-N 3.31Å; D33-N35 PolarHBondContact O-N 3.07Å; N35-Q37 PolarHBondContact O-N 3.19Å | ||
| 36 | I | 33.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 109.8 Ų | 109.8 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | B | Isolated β-bridge | trans | -70.9 | 107.1 | -179.3 | -61.5 | 175.3 | 0 | 0 | 0 | 109.3 | K28 S38 | K28-I36 HydrophobicContact CB-CG2 4.16Å; K28-I36 HydrophobicContact CD-CG2 3.24Å; K28-I36 HydrophobicContact CG-CG2 4.34Å; I36-S38 PolarHBondContact O-N 3.38Å |
| 37 | Q | 31.8 | Very low | 35.6 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | trans | -66.9 | 117.6 | 173.1 | -92 | 172.1 | -4.8 | 0 | 0 | 110.6 | D31 N35 | D31-Q37 HydrophobicContact CB-CG 4.13Å; D31-Q37 PolarHBondContact OD1-NE2 3.01Å; D31-Q37 PolarHBondContact OD2-NE2 3.09Å; N35-Q37 PolarHBondContact O-N 3.19Å | ||
| 38 | S | 38.7 | Very low | 36.4 | Very low | 96 Ų | 96 | 99.7 Ų | 99.7 | 67% | 0.671 | 53% | 0.527 | S | S | * | . | trans | -88.1 | -16.1 | -177.3 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | I36 | I36-S38 PolarHBondContact O-N 3.38Š| ||
| 39 | D | 32.6 | Very low | 37.6 | Very low | 141 Ų | 141 | 96 Ų | 96 | 75% | 0.754 | 52% | 0.517 | S | S | * | . | trans | -110.7 | 16.1 | -157.8 | -69.6 | 2.7 | 0 | 0 | 0 | 115.6 | P41 | D39-P41 VanDerWaalsContact O-CD 3.28Å; D39-P41 WeakPolarHBondContact O-CD 3Å | ||
| 40 | V | 35 | Very low | 38.9 | Very low | 107 Ų | 107 | 100.5 Ų | 100.5 | 65% | 0.648 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -86.7 | 113.1 | 168.9 | -170.5 | 0 | 0 | 0 | 0 | 108.6 | Y42 | V40-Y42 PolarHBondContact O-N 3.04Å; V40-Y42 VanDerWaalsContact O-N 3.14Å |
| 41 | P | 31.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 101 Ų | 101 | 71% | 0.708 | 53% | 0.529 | S | S | * | . | trans | -57.7 | 122.9 | 178 | 19.6 | -28.9 | 0 | 0 | 0 | 109.8 | D39 V43 | D39-P41 VanDerWaalsContact O-CD 3.28Å; D39-P41 WeakPolarHBondContact O-CD 3Å; P41-V43 PolarHBondContact O-N 2.86Å | ||
| 42 | Y | 35.1 | Very low | 41.2 | Very low | 142 Ų | 142 | 98.9 Ų | 98.9 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | trans | -68 | 94.9 | 178.1 | 178.2 | -100.3 | 0 | 0 | 0 | 109.2 | R24 V40 S44 N45 | R24-Y42 PolarHBondContact NH2-OH 3.23Å; V40-Y42 PolarHBondContact O-N 3.04Å; V40-Y42 VanDerWaalsContact O-N 3.14Å; Y42-S44 PolarHBondContact O-N 2.95Å; Y42-N45 PolarHBondContact OH-OD1 3.38Å | ||
| 43 | V | 35.2 | Very low | 42.3 | Very low | 72 Ų | 72 | 92.5 Ų | 92.5 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | trans | -64.7 | 121.4 | 167.7 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | P41 N45 E47 | P41-V43 PolarHBondContact O-N 2.86Å; V43-N45 PolarHBondContact O-N 2.95Å; V43-E47 HydrophobicContact CG1-CB 3.8Å | ||
| 44 | S | 43.3 | Very low | 43.7 | Very low | 52 Ų | 52 | 87 Ų | 87 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | trans | -53.9 | 128.5 | 178.8 | 168.1 | 0 | 0 | 0 | 0 | 109.2 | Y42 R46 E47 A48 | Y42-S44 PolarHBondContact O-N 2.95Å; S44-R46 PolarHBondContact O-N 3.43Å; S44-E47 PolarHBondContact N-OE2 3.03Å; S44-E47 WeakPolarHBondContact O-CA 3.05Å; S44-E47 VanDerWaalsContact O-CB 3.27Å; S44-E47 WeakPolarHBondContact O-CB 3.1Å; S44-E47 PolarHBondContact O-N 2.9Å; S44-A48 PolarHBondContact O-N 3.23Å | ||
| 45 | N | 49.2 | Very low | 45.7 | Very low | 45 Ų | 45 | 91.8 Ų | 91.8 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -51.7 | -26.6 | -173.8 | -64.5 | 6.7 | 0 | 0 | 0 | 113.7 | Y42 V43 A49 D318 | Y42-N45 PolarHBondContact OH-OD1 3.38Å; V43-N45 PolarHBondContact O-N 2.95Å; N45-A49 PolarHBondContact O-N 3.4Å; N45-D318 PolarHBondContact ND2-OD2 3.4Å; N45-D318 VanDerWaalsContact ND2-OD2 3.12Å |
| 46 | R | 39.9 | Very low | 48.2 | Very low | 161 Ų | 161 | 90.4 Ų | 90.4 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.3 | -31.8 | 175.7 | -139.9 | -178.8 | -171.4 | -161.6 | -0.4 | 112.9 | S44 K50 | S44-R46 PolarHBondContact O-N 3.43Å; R46-K50 WeakPolarHBondContact O-CB 3.22Å; R46-K50 VanDerWaalsContact O-CG 3.31Å; R46-K50 WeakPolarHBondContact O-CG 3.39Å; R46-K50 PolarHBondContact O-N 3.36Å |
| 47 | E | 41.4 | Very low | 50.3 | Low | 106 Ų | 106 | 87 Ų | 87 | 50% | 0.495 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.3 | -42.7 | 173.6 | -62.7 | 174.2 | 159.5 | 0 | 0 | 110.2 | V43 S44 A49 K50 Q51 | V43-E47 HydrophobicContact CG1-CB 3.8Å; S44-E47 PolarHBondContact N-OE2 3.03Å; S44-E47 WeakPolarHBondContact O-CA 3.05Å; S44-E47 VanDerWaalsContact O-CB 3.27Å; S44-E47 WeakPolarHBondContact O-CB 3.1Å; S44-E47 PolarHBondContact O-N 2.9Å; E47-A49 PolarHBondContact O-N 2.9Å; E47-K50 PolarHBondContact O-N 3.45Å; E47-Q51 WeakPolarHBondContact O-CG 3.43Å; E47-Q51 PolarHBondContact O-N 2.63Å; E47-Q51 VanDerWaalsContact O-N 3.13Å |
| 48 | A | 46.6 | Very low | 52.6 | Low | 6 Ų | 6 | 85.5 Ų | 85.5 | 5% | 0.05 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S44 K50 Q51 S325 | S44-A48 PolarHBondContact O-N 3.23Å; A48-K50 VanDerWaalsContact C-N 3.32Å; A48-K50 PolarHBondContact O-N 3Å; A48-Q51 PolarHBondContact O-N 3.39Å; A48-Q51 VanDerWaalsContact O-N 3.17Å; A48-S325 PolarHBondContact O-OG 3.11Å |
| 49 | A | 50.2 | Low | 54.8 | Low | 36 Ų | 36 | 85.7 Ų | 85.7 | 30% | 0.298 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N45 E47 Q51 F317 | N45-A49 PolarHBondContact O-N 3.4Å; E47-A49 PolarHBondContact O-N 2.9Å; A49-Q51 VanDerWaalsContact C-N 3.28Å; A49-Q51 PolarHBondContact O-N 3.07Å; A49-F317 HydrophobicContact CB-CE1 4.49Å |
| 50 | K | 55.2 | Low | 57.2 | Low | 170 Ų | 170 | 80.6 Ų | 80.6 | 74% | 0.739 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70 | -24.4 | 175.3 | -86.2 | -178.8 | 178 | -175.2 | 0 | 113.2 | R46 E47 A48 | R46-K50 WeakPolarHBondContact O-CB 3.22Å; R46-K50 VanDerWaalsContact O-CG 3.31Å; R46-K50 WeakPolarHBondContact O-CG 3.39Å; R46-K50 PolarHBondContact O-N 3.36Å; E47-K50 PolarHBondContact O-N 3.45Å; A48-K50 VanDerWaalsContact C-N 3.32Å; A48-K50 PolarHBondContact O-N 3Å |
| 51 | Q | 53.6 | Low | 59.5 | Low | 129 Ų | 129 | 76.7 Ų | 76.7 | 60% | 0.603 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -79.5 | -18.7 | 179.2 | -73.1 | 174.1 | -6.3 | 0 | 0 | 113.2 | E47 A48 A49 | E47-Q51 WeakPolarHBondContact O-CG 3.43Å; E47-Q51 PolarHBondContact O-N 2.63Å; E47-Q51 VanDerWaalsContact O-N 3.13Å; A48-Q51 PolarHBondContact O-N 3.39Å; A48-Q51 VanDerWaalsContact O-N 3.17Å; A49-Q51 VanDerWaalsContact C-N 3.28Å; A49-Q51 PolarHBondContact O-N 3.07Å |
| 52 | L | 59.3 | Low | 62.1 | Low | 20 Ų | 20 | 73.4 Ų | 73.4 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -76 | 141 | -176.9 | -66.7 | 170.3 | 0 | 0 | 0 | 112.6 | E56 F60 S321 A324 | L52-E56 HydrophobicContact CB-CB 4.42Å; L52-E56 HydrophobicContact CD2-CB 4.31Å; L52-F60 HydrophobicContact CD1-CD2 3.96Å; L52-F60 HydrophobicContact CD1-CE2 4.09Å; L52-F60 HydrophobicContact CD2-CE2 3.84Å; L52-S321 WeakPolarHBondContact CD1-OG 3.27Å; L52-A324 HydrophobicContact CD2-CB 3.83Å |
| 53 | D | 72.2 | Confident | 64.7 | Low | 72 Ų | 72 | 70.5 Ų | 70.5 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | trans | -65.9 | 149.1 | 168.3 | -174.1 | 41.8 | 0 | 0 | 0 | 109.8 | V2 K55 E56 S57 | V2-D53 WeakPolarHBondContact CG1-OD1 3.42Å; D53-K55 PolarHBondContact O-N 3.45Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-E56 HydrophobicContact CB-CG 4.23Å; D53-E56 PolarHBondContact N-OE2 2.96Å; D53-E56 WeakPolarHBondContact O-CB 3.45Å; D53-E56 PolarHBondContact O-N 2.95Å; D53-S57 PolarHBondContact O-N 2.88Å | ||
| 54 | G | 71.7 | Confident | 67.1 | Low | 15 Ų | 15 | 67.3 Ų | 67.3 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -22.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L58 | G54-L58 WeakPolarHBondContact O-CB 3.11Å; G54-L58 PolarHBondContact O-N 3.37Å; G54-L58 VanDerWaalsContact O-N 3.16Å |
| 55 | K | 75.7 | Confident | 69.1 | Low | 144 Ų | 144 | 65.4 Ų | 65.4 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.1 | -42.6 | 169.5 | -65.7 | -176.9 | -175.7 | 175.4 | 0 | 111.6 | D53 L58 I59 | D53-K55 PolarHBondContact O-N 3.45Å; D53-K55 VanDerWaalsContact O-N 3.13Å; K55-L58 WeakPolarHBondContact O-CB 3.36Å; K55-L58 PolarHBondContact O-N 2.98Å; K55-I59 WeakPolarHBondContact O-CG1 3.44Å; K55-I59 PolarHBondContact O-N 3.42Å |
| 56 | E | 80.2 | Confident | 71.1 | Confident | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 179.1 | -60.3 | 175.7 | 142.2 | 0 | 0 | 110.6 | L52 D53 L58 I59 F60 | L52-E56 HydrophobicContact CB-CB 4.42Å; L52-E56 HydrophobicContact CD2-CB 4.31Å; D53-E56 HydrophobicContact CB-CG 4.23Å; D53-E56 PolarHBondContact N-OE2 2.96Å; D53-E56 WeakPolarHBondContact O-CB 3.45Å; D53-E56 PolarHBondContact O-N 2.95Å; E56-L58 VanDerWaalsContact C-N 3.25Å; E56-L58 PolarHBondContact O-N 3.17Å; E56-I59 PolarHBondContact O-N 3.37Å; E56-I59 VanDerWaalsContact O-N 3.08Å; E56-F60 HydrophobicContact CB-CE2 4.04Å; E56-F60 HydrophobicContact CB-CZ 4.42Å; E56-F60 WeakPolarHBondContact O-CD2 3.31Å; E56-F60 WeakPolarHBondContact O-CG 3.49Å; E56-F60 PolarHBondContact O-N 3.01Å |
| 57 | S | 77.8 | Confident | 73.5 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 174.2 | 179 | 0 | 0 | 0 | 0 | 111.8 | D53 G61 | D53-S57 PolarHBondContact O-N 2.88Å; S57-G61 PolarHBondContact O-N 3.39Å |
| 58 | L | 79.7 | Confident | 75.8 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 173.9 | -178.5 | 64.8 | 0 | 0 | 0 | 111.6 | F5 G54 K55 E56 F60 G61 L62 I126 | F5-L58 HydrophobicContact CE1-CD1 4.34Å; G54-L58 WeakPolarHBondContact O-CB 3.11Å; G54-L58 PolarHBondContact O-N 3.37Å; G54-L58 VanDerWaalsContact O-N 3.16Å; K55-L58 WeakPolarHBondContact O-CB 3.36Å; K55-L58 PolarHBondContact O-N 2.98Å; E56-L58 VanDerWaalsContact C-N 3.25Å; E56-L58 PolarHBondContact O-N 3.17Å; L58-F60 PolarHBondContact O-N 3.32Å; L58-G61 PolarHBondContact O-N 3.39Å; L58-L62 HydrophobicContact CD1-CG 4.36Å; L58-L62 HydrophobicContact CG-CD1 4.29Å; L58-L62 HydrophobicContact CG-CG 4.46Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.45Å; L58-I126 HydrophobicContact CD1-CG2 4.37Å |
| 59 | I | 84.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 52% | 0.518 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 180 | -69.4 | 166 | 0 | 0 | 0 | 111 | K55 E56 G61 L62 L63 | K55-I59 WeakPolarHBondContact O-CG1 3.44Å; K55-I59 PolarHBondContact O-N 3.42Å; E56-I59 PolarHBondContact O-N 3.37Å; E56-I59 VanDerWaalsContact O-N 3.08Å; I59-G61 VanDerWaalsContact C-N 3.34Å; I59-G61 PolarHBondContact O-N 2.87Å; I59-L62 PolarHBondContact O-N 2.94Å; I59-L63 WeakPolarHBondContact O-CB 3.22Å; I59-L63 PolarHBondContact O-N 2.76Å |
| 60 | F | 84.7 | Confident | 80.1 | Confident | 34 Ų | 34 | 56 Ų | 56 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 178.3 | -57.8 | -28.7 | 0 | 0 | 0 | 112.3 | L52 E56 L58 L63 S64 F317 L320 A324 | L52-F60 HydrophobicContact CD1-CD2 3.96Å; L52-F60 HydrophobicContact CD1-CE2 4.09Å; L52-F60 HydrophobicContact CD2-CE2 3.84Å; E56-F60 HydrophobicContact CB-CE2 4.04Å; E56-F60 HydrophobicContact CB-CZ 4.42Å; E56-F60 WeakPolarHBondContact O-CD2 3.31Å; E56-F60 WeakPolarHBondContact O-CG 3.49Å; E56-F60 PolarHBondContact O-N 3.01Å; L58-F60 PolarHBondContact O-N 3.32Å; F60-L63 PolarHBondContact O-N 2.97Å; F60-S64 VanDerWaalsContact O-CB 3.28Å; F60-S64 WeakPolarHBondContact O-CB 3.37Å; F60-S64 PolarHBondContact O-N 3Å; F60-S64 PolarHBondContact O-OG 3.11Å; F60-F317 HydrophobicContact CB-CD2 3.98Å; F60-F317 HydrophobicContact CB-CE2 3.97Å; F60-L320 HydrophobicContact CB-CB 4.09Å; F60-L320 HydrophobicContact CB-CD1 4.21Å; F60-L320 HydrophobicContact CD1-CB 3.97Å; F60-L320 HydrophobicContact CD1-CD1 4.36Å; F60-L320 HydrophobicContact CD2-CB 4.41Å; F60-L320 HydrophobicContact CG-CB 3.91Å; F60-A324 HydrophobicContact CE2-CB 3.43Å; F60-A324 VanDerWaalsContact CE2-CB 3.43Å; F60-A324 HydrophobicContact CZ-CB 3.42Å; F60-A324 VanDerWaalsContact CZ-CB 3.42Å |
| 61 | G | 82.6 | Confident | 81.9 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S57 L58 I59 S64 G65 | S57-G61 PolarHBondContact O-N 3.39Å; L58-G61 PolarHBondContact O-N 3.39Å; I59-G61 VanDerWaalsContact C-N 3.34Å; I59-G61 PolarHBondContact O-N 2.87Å; G61-S64 PolarHBondContact O-OG 2.93Å; G61-G65 PolarHBondContact O-N 2.84Å |
| 62 | L | 86 | Confident | 83.9 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 176 | -68.7 | 179.8 | 0 | 0 | 0 | 111.7 | L58 I59 G65 A66 V123 I126 | L58-L62 HydrophobicContact CD1-CG 4.36Å; L58-L62 HydrophobicContact CG-CD1 4.29Å; L58-L62 HydrophobicContact CG-CG 4.46Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.45Å; I59-L62 PolarHBondContact O-N 2.94Å; L62-G65 PolarHBondContact O-N 3.44Å; L62-A66 WeakPolarHBondContact O-CB 3.5Å; L62-A66 PolarHBondContact O-N 3.5Å; L62-V123 HydrophobicContact CD1-CG1 4.41Å; L62-V123 HydrophobicContact CD2-CG1 4.41Å; L62-I126 HydrophobicContact CD2-CB 4Å; L62-I126 HydrophobicContact CD2-CD1 3.68Å; L62-I126 HydrophobicContact CD2-CG1 4.41Å; L62-I126 HydrophobicContact CD2-CG2 4.25Å |
| 63 | L | 88.6 | Confident | 85.6 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | -179 | -174 | 59 | 0 | 0 | 0 | 111.3 | I59 F60 G65 A66 C67 L320 | I59-L63 WeakPolarHBondContact O-CB 3.22Å; I59-L63 PolarHBondContact O-N 2.76Å; F60-L63 PolarHBondContact O-N 2.97Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-G65 PolarHBondContact O-N 3.44Å; L63-A66 PolarHBondContact O-N 3.01Å; L63-C67 WeakPolarHBondContact O-CB 3.32Å; L63-C67 PolarHBondContact O-N 3.05Å; L63-C67 PolarHBondContact O-SG 2.9Å; L63-L320 HydrophobicContact CB-CD1 4.07Å; L63-L320 HydrophobicContact CD2-CD1 3.76Å; L63-L320 HydrophobicContact CD2-CD2 3.99Å; L63-L320 HydrophobicContact CG-CD1 4.02Å |
| 64 | S | 85.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.4 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | F60 G61 S68 S313 | F60-S64 VanDerWaalsContact O-CB 3.28Å; F60-S64 WeakPolarHBondContact O-CB 3.37Å; F60-S64 PolarHBondContact O-N 3Å; F60-S64 PolarHBondContact O-OG 3.11Å; G61-S64 PolarHBondContact O-OG 2.93Å; S64-S68 VanDerWaalsContact O-CB 3.32Å; S64-S68 WeakPolarHBondContact O-CB 3.48Å; S64-S68 PolarHBondContact O-N 3.25Å; S64-S68 PolarHBondContact O-OG 3.04Å; S64-S313 WeakPolarHBondContact CB-O 3.28Å |
| 65 | G | 86.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G61 L62 L63 S68 T69 | G61-G65 PolarHBondContact O-N 2.84Å; L62-G65 PolarHBondContact O-N 3.44Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-G65 PolarHBondContact O-N 3.44Å; G65-S68 WeakPolarHBondContact CA-OG 3.46Å; G65-S68 PolarHBondContact O-OG 2.96Å; G65-T69 VanDerWaalsContact O-CB 3.32Å; G65-T69 WeakPolarHBondContact O-CB 3.25Å; G65-T69 PolarHBondContact O-N 3.47Å; G65-T69 PolarHBondContact O-OG1 3.4Å |
| 66 | A | 90.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -49.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L62 L63 S68 T69 I70 L119 | L62-A66 WeakPolarHBondContact O-CB 3.5Å; L62-A66 PolarHBondContact O-N 3.5Å; L63-A66 PolarHBondContact O-N 3.01Å; A66-S68 PolarHBondContact O-N 2.79Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 3.3Å; A66-T69 VanDerWaalsContact O-N 3.16Å; A66-I70 WeakPolarHBondContact O-CG1 3.37Å; A66-I70 PolarHBondContact O-N 2.99Å; A66-L119 HydrophobicContact CB-CD2 3.85Å |
| 67 | C | 91.8 | Very high | 89.6 | Confident | 49 Ų | 49 | 35.4 Ų | 35.4 | 33% | 0.331 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | L63 T69 I70 L71 I316 | L63-C67 WeakPolarHBondContact O-CB 3.32Å; L63-C67 PolarHBondContact O-N 3.05Å; L63-C67 PolarHBondContact O-SG 2.9Å; C67-T69 VanDerWaalsContact C-N 3.31Å; C67-T69 PolarHBondContact O-N 3.05Å; C67-I70 PolarHBondContact O-N 3.43Å; C67-L71 WeakPolarHBondContact O-CB 3.39Å; C67-L71 PolarHBondContact O-N 2.96Å; C67-I316 HydrophobicContact CB-CD1 3.82Å |
| 68 | S | 88.6 | Confident | 90.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -35.9 | 176.7 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | S64 G65 A66 L71 F72 S313 | S64-S68 VanDerWaalsContact O-CB 3.32Å; S64-S68 WeakPolarHBondContact O-CB 3.48Å; S64-S68 PolarHBondContact O-N 3.25Å; S64-S68 PolarHBondContact O-OG 3.04Å; G65-S68 WeakPolarHBondContact CA-OG 3.46Å; G65-S68 PolarHBondContact O-OG 2.96Å; A66-S68 PolarHBondContact O-N 2.79Å; S68-L71 PolarHBondContact O-N 3.22Å; S68-F72 WeakPolarHBondContact O-CD2 3.46Å; S68-F72 PolarHBondContact O-N 3.23Å; S68-S313 WeakPolarHBondContact CB-OG 3.37Å; S68-S313 PolarHBondContact OG-OG 3.34Å |
| 69 | T | 91.7 | Very high | 91.1 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 174 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | G65 A66 C67 Q73 L119 | G65-T69 VanDerWaalsContact O-CB 3.32Å; G65-T69 WeakPolarHBondContact O-CB 3.25Å; G65-T69 PolarHBondContact O-N 3.47Å; G65-T69 PolarHBondContact O-OG1 3.4Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 3.3Å; A66-T69 VanDerWaalsContact O-N 3.16Å; C67-T69 VanDerWaalsContact C-N 3.31Å; C67-T69 PolarHBondContact O-N 3.05Å; T69-Q73 WeakPolarHBondContact O-CB 3.36Å; T69-Q73 PolarHBondContact O-N 3.28Å; T69-L119 HydrophobicContact CG2-CD2 4.22Å |
| 70 | I | 94.8 | Very high | 91.6 | Very high | 72 Ų | 72 | 28 Ų | 28 | 37% | 0.369 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 177.9 | -64.9 | 164.7 | 0 | 0 | 0 | 110.6 | A66 C67 F72 W112 T115 L119 | A66-I70 WeakPolarHBondContact O-CG1 3.37Å; A66-I70 PolarHBondContact O-N 2.99Å; C67-I70 PolarHBondContact O-N 3.43Å; I70-F72 PolarHBondContact O-N 3.48Å; I70-W112 PolarHBondContact O-NE1 2.84Å; I70-T115 HydrophobicContact CG1-CG2 3.88Å; I70-L119 HydrophobicContact CD1-CD1 4.27Å; I70-L119 HydrophobicContact CD1-CD2 4.49Å; I70-L119 HydrophobicContact CG1-CD1 4.25Å; I70-L119 HydrophobicContact CG1-CD2 4.25Å |
| 71 | L | 94.5 | Very high | 92 | Very high | 98 Ų | 98 | 26.4 Ų | 26.4 | 51% | 0.513 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -176.8 | -174 | 62 | 0 | 0 | 0 | 112.3 | C67 S68 | C67-L71 WeakPolarHBondContact O-CB 3.39Å; C67-L71 PolarHBondContact O-N 2.96Å; S68-L71 PolarHBondContact O-N 3.22Å |
| 72 | F | 94.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -105.4 | 10.1 | -176.2 | -55.2 | -61 | 0 | 0 | 0 | 114.6 | S68 I70 P74 F75 K305 L308 T309 C312 | S68-F72 WeakPolarHBondContact O-CD2 3.46Å; S68-F72 PolarHBondContact O-N 3.23Å; I70-F72 PolarHBondContact O-N 3.48Å; F72-P74 VanDerWaalsContact C-N 3.31Å; F72-F75 HydrophobicContact CB-CD2 4.3Å; F72-F75 HydrophobicContact CD1-CD2 4.03Å; F72-F75 HydrophobicContact CD1-CE2 4.04Å; F72-F75 PolarHBondContact O-N 2.68Å; F72-K305 HydrophobicContact CB-CG 4.05Å; F72-L308 HydrophobicContact CD1-CB 4.01Å; F72-L308 HydrophobicContact CD1-CD1 4.26Å; F72-L308 HydrophobicContact CE1-CB 3.45Å; F72-L308 VanDerWaalsContact CE1-CB 3.45Å; F72-L308 HydrophobicContact CE1-CD1 3.79Å; F72-L308 HydrophobicContact CE1-CG 4.23Å; F72-L308 HydrophobicContact CE2-CB 4.12Å; F72-L308 WeakPolarHBondContact CE2-O 3.41Å; F72-L308 HydrophobicContact CZ-CB 3.51Å; F72-T309 WeakPolarHBondContact CD2-OG1 3.33Å; F72-C312 HydrophobicContact CE2-CB 3.74Å; F72-C312 HydrophobicContact CZ-CB 3.98Å; F72-C312 VanDerWaalsContact CZ-SG 3.57Å |
| 73 | Q | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.7 | -40.1 | 171.8 | -175.1 | 66.8 | 14.8 | 0 | 0 | 113 | T69 F75 D76 L77 K113 T115 S118 E178 | T69-Q73 WeakPolarHBondContact O-CB 3.36Å; T69-Q73 PolarHBondContact O-N 3.28Å; Q73-F75 PolarHBondContact O-N 3.32Å; Q73-F75 VanDerWaalsContact O-N 3.13Å; Q73-D76 WeakPolarHBondContact O-CB 3.26Å; Q73-D76 PolarHBondContact O-N 3.11Å; Q73-L77 PolarHBondContact O-N 3.09Å; Q73-L77 VanDerWaalsContact O-N 3.08Å; Q73-K113 PolarHBondContact NE2-O 3.32Å; Q73-T115 WeakPolarHBondContact CG-OG1 3.24Å; Q73-S118 PolarHBondContact OE1-OG 2.7Å; Q73-E178 PolarHBondContact NE2-OE1 2.89Å |
| 74 | P | 96.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 20 Ų | 20 | 13% | 0.13 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -53 | -36.8 | 177.3 | -30.2 | 37.5 | 0 | 0 | 0 | 113.7 | F72 L77 L78 L111 W112 | F72-P74 VanDerWaalsContact C-N 3.31Å; P74-L77 PolarHBondContact O-N 3.39Å; P74-L78 VanDerWaalsContact O-CG 3.27Å; P74-L78 WeakPolarHBondContact O-CG 3.38Å; P74-L78 PolarHBondContact O-N 3Å; P74-L111 WeakPolarHBondContact CA-O 3.44Å; P74-L111 HydrophobicContact CB-CB 4Å; P74-L111 HydrophobicContact CB-CD1 4.48Å; P74-L111 HydrophobicContact CB-CD2 4.46Å; P74-L111 HydrophobicContact CG-CB 4.03Å; P74-W112 HydrophobicContact CG-CZ2 4.15Å |
| 75 | F | 95.7 | Very high | 92.9 | Very high | 50 Ų | 50 | 21.2 Ų | 21.2 | 22% | 0.219 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.3 | -32.3 | 178 | -67.8 | -74 | 0 | 0 | 0 | 113.3 | F72 Q73 K79 P301 I304 K305 L308 | F72-F75 HydrophobicContact CB-CD2 4.3Å; F72-F75 HydrophobicContact CD1-CD2 4.03Å; F72-F75 HydrophobicContact CD1-CE2 4.04Å; F72-F75 PolarHBondContact O-N 2.68Å; Q73-F75 PolarHBondContact O-N 3.32Å; Q73-F75 VanDerWaalsContact O-N 3.13Å; F75-K79 WeakPolarHBondContact O-CB 3.34Å; F75-K79 PolarHBondContact O-N 3.38Å; F75-P301 HydrophobicContact CD1-CB 4.36Å; F75-I304 HydrophobicContact CD1-CG2 4.15Å; F75-I304 HydrophobicContact CE1-CB 4.43Å; F75-I304 HydrophobicContact CE1-CG2 3.67Å; F75-I304 HydrophobicContact CE2-CG2 4.25Å; F75-I304 HydrophobicContact CZ-CG2 3.72Å; F75-K305 HydrophobicContact CB-CB 3.92Å; F75-K305 HydrophobicContact CB-CG 4.35Å; F75-L308 HydrophobicContact CE2-CD1 4.25Å; F75-L308 HydrophobicContact CZ-CD1 4.49Å |
| 76 | D | 94.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 8% | 0.08 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 172.1 | -80.9 | -30.6 | 0 | 0 | 0 | 110.8 | Q73 K79 T80 K174 E178 K305 | Q73-D76 WeakPolarHBondContact O-CB 3.26Å; Q73-D76 PolarHBondContact O-N 3.11Å; D76-K79 WeakPolarHBondContact O-CB 3.29Å; D76-K79 PolarHBondContact O-N 3.19Å; D76-T80 WeakPolarHBondContact O-CG2 3.41Å; D76-T80 PolarHBondContact O-N 3.2Å; D76-T80 PolarHBondContact O-OG1 3.02Å; D76-K174 IonicContact OD2-NZ 3.82Å; D76-K174 PolarHBondContact OD2-NZ 2.87Å; D76-E178 WeakPolarHBondContact CB-OE1 3.11Å; D76-K305 WeakPolarHBondContact OD1-CD 3.41Å; D76-K305 WeakPolarHBondContact OD1-CE 3.36Å; D76-K305 IonicContact OD1-NZ 3Å; D76-K305 PolarHBondContact OD1-NZ 3.05Å; D76-K305 WeakPolarHBondContact OD2-CE 3.04Å; D76-K305 IonicContact OD2-NZ 3.32Å; D76-K305 PolarHBondContact OD2-NZ 3.26Å |
| 77 | L | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -54.3 | 176.8 | -172.9 | 146.2 | 0 | 0 | 0 | 110.6 | Q73 P74 K79 T80 R81 V102 S110 L111 K113 | Q73-L77 PolarHBondContact O-N 3.09Å; Q73-L77 VanDerWaalsContact O-N 3.08Å; P74-L77 PolarHBondContact O-N 3.39Å; L77-K79 PolarHBondContact O-N 2.95Å; L77-T80 PolarHBondContact O-N 3.07Å; L77-T80 VanDerWaalsContact O-N 3.07Å; L77-T80 PolarHBondContact O-OG1 2.91Å; L77-R81 HydrophobicContact CD2-CG 3.69Å; L77-R81 HydrophobicContact CG-CG 4.31Å; L77-R81 VanDerWaalsContact O-CG 3.29Å; L77-R81 WeakPolarHBondContact O-CG 3.29Å; L77-R81 PolarHBondContact O-N 3.31Å; L77-V102 HydrophobicContact CD2-CG1 4.14Å; L77-V102 HydrophobicContact CD2-CG2 4.28Å; L77-S110 WeakPolarHBondContact CD1-O 3.5Å; L77-L111 HydrophobicContact CD2-CD2 4.36Å; L77-K113 HydrophobicContact CD1-CB 3.97Å |
| 78 | L | 95.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -35.7 | -179.5 | -65.9 | 176 | 0 | 0 | 0 | 112.5 | P74 L82 L95 M98 V102 L111 | P74-L78 VanDerWaalsContact O-CG 3.27Å; P74-L78 WeakPolarHBondContact O-CG 3.38Å; P74-L78 PolarHBondContact O-N 3Å; L78-L82 WeakPolarHBondContact O-CB 3.2Å; L78-L82 VanDerWaalsContact O-CG 3.22Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.95Å; L78-L95 HydrophobicContact CB-CD1 3.56Å; L78-L95 HydrophobicContact CD1-CD1 3.68Å; L78-L95 HydrophobicContact CG-CD1 4.22Å; L78-M98 HydrophobicContact CD2-CB 4.47Å; L78-M98 HydrophobicContact CD2-CG 3.99Å; L78-V102 HydrophobicContact CD2-CG2 4.33Å; L78-L111 HydrophobicContact CD2-CD2 4.19Å; L78-L111 HydrophobicContact CG-CD2 4.38Å |
| 79 | K | 94.9 | Very high | 89.7 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -51.3 | 173.4 | 175.3 | -171.5 | 171.1 | -161.8 | 0 | 112 | F75 D76 L77 R81 L82 Q83 D263 P301 R302 | F75-K79 WeakPolarHBondContact O-CB 3.34Å; F75-K79 PolarHBondContact O-N 3.38Å; D76-K79 WeakPolarHBondContact O-CB 3.29Å; D76-K79 PolarHBondContact O-N 3.19Å; L77-K79 PolarHBondContact O-N 2.95Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-R81 PolarHBondContact O-N 2.82Å; K79-L82 PolarHBondContact O-N 3.39Å; K79-Q83 WeakPolarHBondContact O-CG 3.44Å; K79-Q83 PolarHBondContact O-N 3.33Å; K79-D263 WeakPolarHBondContact CE-OD2 3.35Å; K79-D263 IonicContact NZ-OD1 3.5Å; K79-D263 PolarHBondContact NZ-OD1 2.87Å; K79-D263 IonicContact NZ-OD2 2.78Å; K79-D263 PolarHBondContact NZ-OD2 3.49Å; K79-P301 HydrophobicContact CB-CB 4.1Å; K79-P301 HydrophobicContact CB-CG 3.76Å; K79-P301 HydrophobicContact CG-CG 4.28Å; K79-R302 HydrophobicContact CD-CB 4.2Å |
| 80 | T | 94.8 | Very high | 88.4 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | -179.3 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | D76 L77 Q83 S84 E178 | D76-T80 WeakPolarHBondContact O-CG2 3.41Å; D76-T80 PolarHBondContact O-N 3.2Å; D76-T80 PolarHBondContact O-OG1 3.02Å; L77-T80 PolarHBondContact O-N 3.07Å; L77-T80 VanDerWaalsContact O-N 3.07Å; L77-T80 PolarHBondContact O-OG1 2.91Å; T80-Q83 PolarHBondContact O-N 2.65Å; T80-S84 PolarHBondContact O-N 3.05Å; T80-E178 HydrophobicContact CG2-CB 4.08Å; T80-E178 WeakPolarHBondContact CG2-OE2 3.41Å; T80-E178 WeakPolarHBondContact OG1-CB 3.4Å; T80-E178 PolarHBondContact OG1-O 3.19Å |
| 81 | R | 93.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 173.2 | -62.2 | -56.7 | -174.6 | 104.2 | 2.2 | 113 | L77 K79 Q83 S84 P85 M98 E106 E178 S179 A180 H183 | L77-R81 HydrophobicContact CD2-CG 3.69Å; L77-R81 HydrophobicContact CG-CG 4.31Å; L77-R81 VanDerWaalsContact O-CG 3.29Å; L77-R81 WeakPolarHBondContact O-CG 3.29Å; L77-R81 PolarHBondContact O-N 3.31Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-R81 PolarHBondContact O-N 2.82Å; R81-Q83 VanDerWaalsContact C-N 3.35Å; R81-S84 CarbonylContact O-C 3.54Å; R81-P85 WeakPolarHBondContact O-CA 3.29Å; R81-M98 HydrophobicContact CB-CE 4.19Å; R81-M98 HydrophobicContact CB-CG 3.84Å; R81-M98 HydrophobicContact CB-SD 3.68Å; R81-E106 IonicContact CZ-OE1 2.7Å; R81-E106 IonicContact CZ-OE2 3.81Å; R81-E106 IonicContact NH1-OE1 2.95Å; R81-E106 PolarHBondContact NH1-OE1 3.01Å; R81-E106 IonicContact NH1-OE2 2.63Å; R81-E106 IonicContact NH2-OE1 2.85Å; R81-E106 PolarHBondContact NH2-OE1 2.98Å; R81-E106 IonicContact NH2-OE2 3.82Å; R81-E106 PolarHBondContact NH2-OE2 2.69Å; R81-E178 VanDerWaalsContact CD-O 3.25Å; R81-E178 WeakPolarHBondContact CD-O 3.32Å; R81-E178 PolarHBondContact NE-O 3.45Å; R81-S179 VanDerWaalsContact CZ-O 3.31Å; R81-S179 PolarHBondContact NE-O 3.32Å; R81-S179 PolarHBondContact NH2-O 3.28Å; R81-A180 VanDerWaalsContact CD-N 3.34Å; R81-H183 VanDerWaalsContact NH2-CB 3.26Å |
| 82 | L | 93.2 | Very high | 85.4 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 173.6 | -74.9 | 172.3 | 0 | 0 | 0 | 111.9 | L78 K79 S84 R93 L95 M98 T297 P301 | L78-L82 WeakPolarHBondContact O-CB 3.2Å; L78-L82 VanDerWaalsContact O-CG 3.22Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.95Å; K79-L82 PolarHBondContact O-N 3.39Å; L82-S84 VanDerWaalsContact C-N 3.35Å; L82-R93 HydrophobicContact CD2-CB 4.34Å; L82-R93 WeakPolarHBondContact CD2-O 3.33Å; L82-L95 HydrophobicContact CD1-CB 4.31Å; L82-L95 HydrophobicContact CD1-CD1 4.03Å; L82-M98 HydrophobicContact CD2-CB 3.88Å; L82-M98 HydrophobicContact CD2-CE 4.16Å; L82-M98 HydrophobicContact CD2-CG 4.26Å; L82-M98 HydrophobicContact CG-CB 4.26Å; L82-M98 HydrophobicContact CG-CG 4.28Å; L82-T297 HydrophobicContact CB-CG2 3.91Å; L82-T297 WeakPolarHBondContact O-CG2 3.41Å; L82-P301 HydrophobicContact CD1-CG 4.1Å |
| 83 | Q | 92.4 | Very high | 84.5 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.3 | -32.1 | 179.1 | -75.4 | 176.5 | -17.9 | 0 | 0 | 112.5 | K79 T80 R81 D263 M264 T267 Q268 T297 | K79-Q83 WeakPolarHBondContact O-CG 3.44Å; K79-Q83 PolarHBondContact O-N 3.33Å; T80-Q83 PolarHBondContact O-N 2.65Å; R81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-D263 PolarHBondContact NE2-OD2 3.08Å; Q83-M264 HydrophobicContact CB-CE 4.16Å; Q83-M264 HydrophobicContact CB-SD 3.75Å; Q83-M264 HydrophobicContact CG-CE 4.11Å; Q83-M264 HydrophobicContact CG-SD 3.81Å; Q83-T267 PolarHBondContact OE1-OG1 2.96Å; Q83-Q268 PolarHBondContact O-NE2 3.2Å; Q83-T297 WeakPolarHBondContact CG-O 3.41Å; Q83-T297 PolarHBondContact NE2-O 3.47Å |
| 84 | S | 90.2 | Very high | 84.1 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -135.4 | 80.3 | 173.5 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | T80 R81 L82 Q268 L271 | T80-S84 PolarHBondContact O-N 3.05Å; R81-S84 CarbonylContact O-C 3.54Å; L82-S84 VanDerWaalsContact C-N 3.35Å; S84-Q268 PolarHBondContact OG-NE2 3.12Å; S84-L271 VanDerWaalsContact OG-CD1 3.24Å; S84-L271 WeakPolarHBondContact OG-CD1 3.49Å |
| 85 | P | 86.1 | Confident | 83.8 | Confident | 31 Ų | 31 | 49 Ų | 49 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | trans | -68.5 | 153.4 | -177.7 | 28.3 | -33.4 | 0 | 0 | 0 | 111.3 | R81 M98 Y181 | R81-P85 WeakPolarHBondContact O-CA 3.29Å; P85-M98 HydrophobicContact CB-CE 4.12Å; P85-Y181 PolarHBondContact O-OH 3.02Å | ||
| 86 | P | 79.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | trans | -58 | 146.8 | 171.4 | 5.2 | -0.1 | 0 | 0 | 0 | 110.4 | D88 L89 A180 | P86-D88 PolarHBondContact O-N 3.17Å; P86-L89 HydrophobicContact CB-CB 4.41Å; P86-L89 HydrophobicContact CG-CB 3.94Å; P86-L89 HydrophobicContact CG-CD2 4.34Å; P86-L89 WeakPolarHBondContact O-CB 3.4Å; P86-L89 PolarHBondContact O-N 3.25Å; P86-A180 HydrophobicContact CB-CB 4.23Å; P86-A180 HydrophobicContact CG-CB 4.04Å | ||
| 87 | A | 74.1 | Confident | 83.5 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -36.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L89 | A87-L89 PolarHBondContact O-N 2.61Š|
| 88 | D | 69.8 | Low | 83.3 | Confident | 149 Ų | 149 | 56.1 Ų | 56.1 | 80% | 0.797 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.9 | -177.6 | -41.4 | -29.8 | 0 | 0 | 0 | 112.5 | P86 H90 | P86-D88 PolarHBondContact O-N 3.17Å; D88-H90 PolarHBondContact O-N 3.11Å |
| 89 | L | 67.2 | Low | 83.2 | Confident | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | trans | -95.1 | 85.1 | -175.8 | -151.4 | 73.6 | 0 | 0 | 0 | 110.9 | P86 A87 I91 M98 H101 | P86-L89 HydrophobicContact CB-CB 4.41Å; P86-L89 HydrophobicContact CG-CB 3.94Å; P86-L89 HydrophobicContact CG-CD2 4.34Å; P86-L89 WeakPolarHBondContact O-CB 3.4Å; P86-L89 PolarHBondContact O-N 3.25Å; A87-L89 PolarHBondContact O-N 2.61Å; L89-I91 HydrophobicContact CD1-CB 4.38Å; L89-I91 HydrophobicContact CD1-CD1 3.37Å; L89-I91 HydrophobicContact CD1-CG1 3.67Å; L89-I91 HydrophobicContact CD2-CB 4.44Å; L89-I91 HydrophobicContact CD2-CD1 4.48Å; L89-I91 HydrophobicContact CG-CB 3.96Å; L89-I91 HydrophobicContact CG-CD1 3.92Å; L89-I91 HydrophobicContact CG-CG1 3.78Å; L89-I91 PolarHBondContact O-N 2.94Å; L89-M98 HydrophobicContact CD2-CE 3.45Å; L89-M98 VanDerWaalsContact CD2-CE 3.45Å; L89-M98 HydrophobicContact CD2-SD 3.97Å; L89-H101 WeakPolarHBondContact CD1-CE1 3Å; L89-H101 VanDerWaalsContact CD1-ND1 3.25Å; L89-H101 WeakPolarHBondContact CD1-ND1 3.27Å | ||
| 90 | H | 63.9 | Low | 83.2 | Confident | 180 Ų | 180 | 58.4 Ų | 58.4 | 83% | 0.833 | 31% | 0.311 | S | S | * | . | trans | -71.8 | 1.7 | 167.7 | -65.7 | -64.9 | 0 | 0 | 0 | 113.7 | D88 | D88-H90 PolarHBondContact O-N 3.11Š| ||
| 91 | I | 58.9 | Low | 83 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -62.9 | 141.5 | -175.6 | -54.4 | -176.4 | 0 | 0 | 0 | 109.5 | L89 R93 A97 | L89-I91 HydrophobicContact CD1-CB 4.38Å; L89-I91 HydrophobicContact CD1-CD1 3.37Å; L89-I91 HydrophobicContact CD1-CG1 3.67Å; L89-I91 HydrophobicContact CD2-CB 4.44Å; L89-I91 HydrophobicContact CD2-CD1 4.48Å; L89-I91 HydrophobicContact CG-CB 3.96Å; L89-I91 HydrophobicContact CG-CD1 3.92Å; L89-I91 HydrophobicContact CG-CG1 3.78Å; L89-I91 PolarHBondContact O-N 2.94Å; I91-R93 PolarHBondContact O-N 3.35Å; I91-A97 HydrophobicContact CG2-CB 3.61Å |
| 92 | N | 67.3 | Low | 83 | Confident | 144 Ų | 144 | 60.1 Ų | 60.1 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | trans | -39.9 | 134.8 | 164.5 | -86.8 | -35.1 | 0 | 0 | 0 | 109.7 | S94 | N92-S94 PolarHBondContact O-N 3.15Š| ||
| 93 | R | 76.6 | Confident | 83 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -67.4 | 42.3 | -178.8 | -64.7 | 164.8 | 174 | -111.4 | -1.7 | 113 | L82 I91 L294 T297 | L82-R93 HydrophobicContact CD2-CB 4.34Å; L82-R93 WeakPolarHBondContact CD2-O 3.33Å; I91-R93 PolarHBondContact O-N 3.35Å; R93-L294 VanDerWaalsContact NH2-CD1 3.26Å; R93-T297 HydrophobicContact CB-CG2 4.25Å; R93-T297 HydrophobicContact CG-CG2 4.43Å; R93-T297 PolarHBondContact NH1-OG1 3.21Å |
| 94 | S | 87.4 | Confident | 83 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | trans | -80 | 133.9 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | N92 Y96 A97 M98 | N92-S94 PolarHBondContact O-N 3.15Å; S94-Y96 VanDerWaalsContact C-N 3.32Å; S94-Y96 PolarHBondContact O-N 3.44Å; S94-Y96 PolarHBondContact OG-N 3.18Å; S94-A97 PolarHBondContact O-N 3.47Å; S94-M98 PolarHBondContact O-N 2.95Å; S94-M98 VanDerWaalsContact O-N 3.11Å | ||
| 95 | L | 90.6 | Very high | 83.1 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 176.9 | 179.3 | 60.2 | 0 | 0 | 0 | 112.2 | L78 L82 G99 L300 P301 I304 | L78-L95 HydrophobicContact CB-CD1 3.56Å; L78-L95 HydrophobicContact CD1-CD1 3.68Å; L78-L95 HydrophobicContact CG-CD1 4.22Å; L82-L95 HydrophobicContact CD1-CB 4.31Å; L82-L95 HydrophobicContact CD1-CD1 4.03Å; L95-G99 PolarHBondContact O-N 3.41Å; L95-L300 HydrophobicContact CB-CD2 4.46Å; L95-L300 HydrophobicContact CD2-CD2 4.29Å; L95-L300 HydrophobicContact CD2-CG 4.37Å; L95-P301 HydrophobicContact CD1-CB 3.89Å; L95-P301 HydrophobicContact CD1-CG 4.18Å; L95-P301 HydrophobicContact CD2-CB 4.23Å; L95-I304 HydrophobicContact CD2-CD1 4.11Å |
| 96 | Y | 91.9 | Very high | 83.3 | Confident | 184 Ų | 184 | 77.5 Ų | 77.5 | 72% | 0.722 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.8 | -48.6 | -179.3 | 176.3 | -100.7 | 0 | 0 | 0 | 111.3 | S94 M98 G99 V100 | S94-Y96 VanDerWaalsContact C-N 3.32Å; S94-Y96 PolarHBondContact O-N 3.44Å; S94-Y96 PolarHBondContact OG-N 3.18Å; Y96-M98 VanDerWaalsContact C-N 3.31Å; Y96-M98 PolarHBondContact O-N 3.34Å; Y96-G99 WeakPolarHBondContact O-CA 3.37Å; Y96-G99 PolarHBondContact O-N 2.88Å; Y96-G99 VanDerWaalsContact O-N 3.07Å; Y96-V100 HydrophobicContact CD1-CG2 4.24Å; Y96-V100 HydrophobicContact CD2-CG2 4.36Å; Y96-V100 HydrophobicContact CE1-CG2 3.77Å; Y96-V100 HydrophobicContact CE2-CG2 3.9Å; Y96-V100 WeakPolarHBondContact O-CG2 3.3Å; Y96-V100 PolarHBondContact O-N 3.38Å |
| 97 | A | 91.5 | Very high | 84 | Confident | 25 Ų | 25 | 78 Ų | 78 | 21% | 0.207 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I91 S94 H101 | I91-A97 HydrophobicContact CG2-CB 3.61Å; S94-A97 PolarHBondContact O-N 3.47Å; A97-H101 VanDerWaalsContact O-CB 3.28Å; A97-H101 WeakPolarHBondContact O-CB 3.4Å; A97-H101 PolarHBondContact O-N 3.49Å |
| 98 | M | 91.9 | Very high | 84.9 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 3% | 0.034 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 171.7 | -174.2 | 60.2 | 70.5 | 0 | 0 | 111.9 | L78 R81 L82 P85 L89 S94 Y96 H101 V102 | L78-M98 HydrophobicContact CD2-CB 4.47Å; L78-M98 HydrophobicContact CD2-CG 3.99Å; R81-M98 HydrophobicContact CB-CE 4.19Å; R81-M98 HydrophobicContact CB-CG 3.84Å; R81-M98 HydrophobicContact CB-SD 3.68Å; L82-M98 HydrophobicContact CD2-CB 3.88Å; L82-M98 HydrophobicContact CD2-CE 4.16Å; L82-M98 HydrophobicContact CD2-CG 4.26Å; L82-M98 HydrophobicContact CG-CB 4.26Å; L82-M98 HydrophobicContact CG-CG 4.28Å; P85-M98 HydrophobicContact CB-CE 4.12Å; L89-M98 HydrophobicContact CD2-CE 3.45Å; L89-M98 VanDerWaalsContact CD2-CE 3.45Å; L89-M98 HydrophobicContact CD2-SD 3.97Å; S94-M98 PolarHBondContact O-N 2.95Å; S94-M98 VanDerWaalsContact O-N 3.11Å; Y96-M98 VanDerWaalsContact C-N 3.31Å; Y96-M98 PolarHBondContact O-N 3.34Å; M98-H101 PolarHBondContact O-N 2.86Å; M98-V102 VanDerWaalsContact O-CG2 3.31Å; M98-V102 WeakPolarHBondContact O-CG2 3.45Å; M98-V102 PolarHBondContact O-N 2.88Å; M98-V102 HydrophobicContact SD-CG2 4.31Å |
| 99 | G | 93.3 | Very high | 86.1 | Confident | 14 Ų | 14 | 78 Ų | 78 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L95 Y96 H101 V102 V103 | L95-G99 PolarHBondContact O-N 3.41Å; Y96-G99 WeakPolarHBondContact O-CA 3.37Å; Y96-G99 PolarHBondContact O-N 2.88Å; Y96-G99 VanDerWaalsContact O-N 3.07Å; G99-H101 VanDerWaalsContact C-N 3.33Å; G99-H101 PolarHBondContact O-N 3.47Å; G99-V102 PolarHBondContact O-N 3.37Å; G99-V103 WeakPolarHBondContact O-CG2 3.33Å; G99-V103 PolarHBondContact O-N 3.31Å |
| 100 | V | 93.1 | Very high | 87.3 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | Y96 V103 R104 | Y96-V100 HydrophobicContact CD1-CG2 4.24Å; Y96-V100 HydrophobicContact CD2-CG2 4.36Å; Y96-V100 HydrophobicContact CE1-CG2 3.77Å; Y96-V100 HydrophobicContact CE2-CG2 3.9Å; Y96-V100 WeakPolarHBondContact O-CG2 3.3Å; Y96-V100 PolarHBondContact O-N 3.38Å; V100-V103 PolarHBondContact O-N 2.91Å; V100-R104 WeakPolarHBondContact O-CB 3.39Å; V100-R104 PolarHBondContact O-N 2.86Å |
| 101 | H | 91.5 | Very high | 88.8 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 177.6 | 179 | 89.4 | 0 | 0 | 0 | 112.1 | L89 A97 M98 G99 R104 N105 | L89-H101 WeakPolarHBondContact CD1-CE1 3Å; L89-H101 VanDerWaalsContact CD1-ND1 3.25Å; L89-H101 WeakPolarHBondContact CD1-ND1 3.27Å; A97-H101 VanDerWaalsContact O-CB 3.28Å; A97-H101 WeakPolarHBondContact O-CB 3.4Å; A97-H101 PolarHBondContact O-N 3.49Å; M98-H101 PolarHBondContact O-N 2.86Å; G99-H101 VanDerWaalsContact C-N 3.33Å; G99-H101 PolarHBondContact O-N 3.47Å; H101-R104 PolarHBondContact O-N 2.92Å; H101-N105 PolarHBondContact CE1-ND2 2.89Å; H101-N105 PolarHBondContact ND1-ND2 3.37Å; H101-N105 PolarHBondContact NE2-ND2 3Å; H101-N105 WeakPolarHBondContact O-CB 3.4Å; H101-N105 PolarHBondContact O-N 3.25Å; H101-N105 PolarHBondContact O-ND2 3Å |
| 102 | V | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 178.7 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L77 L78 M98 G99 R104 E106 G107 S110 L111 | L77-V102 HydrophobicContact CD2-CG1 4.14Å; L77-V102 HydrophobicContact CD2-CG2 4.28Å; L78-V102 HydrophobicContact CD2-CG2 4.33Å; M98-V102 VanDerWaalsContact O-CG2 3.31Å; M98-V102 WeakPolarHBondContact O-CG2 3.45Å; M98-V102 PolarHBondContact O-N 2.88Å; M98-V102 HydrophobicContact SD-CG2 4.31Å; G99-V102 PolarHBondContact O-N 3.37Å; V102-R104 PolarHBondContact O-N 3.45Å; V102-E106 WeakPolarHBondContact O-CA 3.3Å; V102-E106 WeakPolarHBondContact O-CB 3.27Å; V102-E106 PolarHBondContact O-N 3Å; V102-G107 PolarHBondContact O-N 3.32Å; V102-S110 WeakPolarHBondContact CG1-OG 3.44Å; V102-L111 HydrophobicContact CB-CD2 4.45Å; V102-L111 HydrophobicContact CG1-CD2 3.79Å; V102-L111 HydrophobicContact CG1-CG 4.39Å |
| 103 | V | 94.8 | Very high | 91.9 | Very high | 59 Ų | 59 | 66.6 Ų | 66.6 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 179.5 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | G99 V100 G107 V108 L111 | G99-V103 WeakPolarHBondContact O-CG2 3.33Å; G99-V103 PolarHBondContact O-N 3.31Å; V100-V103 PolarHBondContact O-N 2.91Å; V103-G107 VanDerWaalsContact O-CA 3.22Å; V103-G107 WeakPolarHBondContact O-CA 3.35Å; V103-G107 PolarHBondContact O-N 3.27Å; V103-G107 VanDerWaalsContact O-N 3.17Å; V103-V108 HydrophobicContact CG1-CG2 3.73Å; V103-L111 HydrophobicContact CG2-CD1 3.98Å |
| 104 | R | 92.1 | Very high | 92.7 | Very high | 209 Ų | 209 | 61.1 Ų | 61.1 | 79% | 0.789 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.6 | -37.9 | -177.5 | -173.4 | 174.7 | 179.8 | 176.5 | 0.1 | 113 | V100 H101 V102 | V100-R104 WeakPolarHBondContact O-CB 3.39Å; V100-R104 PolarHBondContact O-N 2.86Å; H101-R104 PolarHBondContact O-N 2.92Å; V102-R104 PolarHBondContact O-N 3.45Å |
| 105 | N | 90.8 | Very high | 93 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -100 | -28.5 | -172.1 | -64.1 | -25.8 | 0 | 0 | 0 | 114 | H101 | H101-N105 PolarHBondContact CE1-ND2 2.89Å; H101-N105 PolarHBondContact ND1-ND2 3.37Å; H101-N105 PolarHBondContact NE2-ND2 3Å; H101-N105 WeakPolarHBondContact O-CB 3.4Å; H101-N105 PolarHBondContact O-N 3.25Å; H101-N105 PolarHBondContact O-ND2 3Å |
| 106 | E | 91.1 | Very high | 93.3 | Very high | 40 Ų | 40 | 63 Ų | 63 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -115.7 | -8.8 | -177 | -55.6 | -175.9 | -149.6 | 0 | 0 | 113.3 | R81 V102 S110 H183 | R81-E106 IonicContact CZ-OE1 2.7Å; R81-E106 IonicContact CZ-OE2 3.81Å; R81-E106 IonicContact NH1-OE1 2.95Å; R81-E106 PolarHBondContact NH1-OE1 3.01Å; R81-E106 IonicContact NH1-OE2 2.63Å; R81-E106 IonicContact NH2-OE1 2.85Å; R81-E106 PolarHBondContact NH2-OE1 2.98Å; R81-E106 IonicContact NH2-OE2 3.82Å; R81-E106 PolarHBondContact NH2-OE2 2.69Å; V102-E106 WeakPolarHBondContact O-CA 3.3Å; V102-E106 WeakPolarHBondContact O-CB 3.27Å; V102-E106 PolarHBondContact O-N 3Å; E106-S110 WeakPolarHBondContact CB-OG 3.31Å; E106-H183 IonicContact OE1-CG 3.71Å; E106-H183 IonicContact OE1-ND1 3.71Å; E106-H183 VanDerWaalsContact OE2-CB 3.29Å; E106-H183 WeakPolarHBondContact OE2-CB 3.32Å; E106-H183 IonicContact OE2-CE1 3.36Å; E106-H183 IonicContact OE2-CG 3.85Å; E106-H183 VanDerWaalsContact OE2-CG 3.32Å; E106-H183 IonicContact OE2-ND1 3.23Å; E106-H183 PolarHBondContact OE2-ND1 2.95Å |
| 107 | G | 92.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 32% | 0.32 | 28% | 0.284 | S | S | . | . | trans | 82 | 162.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V102 V103 L109 S110 | V102-G107 PolarHBondContact O-N 3.32Å; V103-G107 VanDerWaalsContact O-CA 3.22Å; V103-G107 WeakPolarHBondContact O-CA 3.35Å; V103-G107 PolarHBondContact O-N 3.27Å; V103-G107 VanDerWaalsContact O-N 3.17Å; G107-L109 VanDerWaalsContact C-N 3.34Å; G107-L109 PolarHBondContact O-N 2.96Å; G107-S110 VanDerWaalsContact O-CB 3.3Å; G107-S110 WeakPolarHBondContact O-CB 3.38Å; G107-S110 PolarHBondContact O-N 3.03Å; G107-S110 PolarHBondContact O-OG 3.29Å | ||
| 108 | V | 94.6 | Very high | 93.5 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -61.5 | -39.2 | -174.7 | 177 | 0 | 0 | 0 | 0 | 112.5 | V103 S110 L111 W112 | V103-V108 HydrophobicContact CG1-CG2 3.73Å; V108-S110 PolarHBondContact O-N 2.93Å; V108-S110 VanDerWaalsContact O-N 3.15Å; V108-L111 WeakPolarHBondContact O-CB 3.48Å; V108-L111 WeakPolarHBondContact O-CG 3.48Å; V108-L111 PolarHBondContact O-N 2.91Å; V108-L111 VanDerWaalsContact O-N 3.17Å; V108-W112 HydrophobicContact CG1-CZ3 3.95Å; V108-W112 WeakPolarHBondContact O-CZ3 3.38Å |
| 109 | L | 94.4 | Very high | 93.7 | Very high | 148 Ų | 148 | 54.8 Ų | 54.8 | 78% | 0.775 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -64.6 | -19.7 | -178.9 | -64.5 | 177.9 | 0 | 0 | 0 | 113.4 | G107 L111 W112 | G107-L109 VanDerWaalsContact C-N 3.34Å; G107-L109 PolarHBondContact O-N 2.96Å; L109-L111 PolarHBondContact O-N 3.31Å; L109-W112 PolarHBondContact O-N 3.13Å |
| 110 | S | 93.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -60.9 | -28.9 | 176.1 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | L77 V102 E106 G107 V108 W112 K113 | L77-S110 WeakPolarHBondContact CD1-O 3.5Å; V102-S110 WeakPolarHBondContact CG1-OG 3.44Å; E106-S110 WeakPolarHBondContact CB-OG 3.31Å; G107-S110 VanDerWaalsContact O-CB 3.3Å; G107-S110 WeakPolarHBondContact O-CB 3.38Å; G107-S110 PolarHBondContact O-N 3.03Å; G107-S110 PolarHBondContact O-OG 3.29Å; V108-S110 PolarHBondContact O-N 2.93Å; V108-S110 VanDerWaalsContact O-N 3.15Å; S110-W112 PolarHBondContact O-N 3.31Å; S110-W112 VanDerWaalsContact O-N 3.11Å; S110-K113 WeakPolarHBondContact O-CB 3.4Å; S110-K113 WeakPolarHBondContact O-CG 3.49Å; S110-K113 PolarHBondContact O-N 2.76Å |
| 111 | L | 95.5 | Very high | 93.7 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -60.1 | -22.3 | 179.2 | -66.1 | 173 | 0 | 0 | 0 | 113.4 | P74 L77 L78 V102 V103 V108 L109 | P74-L111 WeakPolarHBondContact CA-O 3.44Å; P74-L111 HydrophobicContact CB-CB 4Å; P74-L111 HydrophobicContact CB-CD1 4.48Å; P74-L111 HydrophobicContact CB-CD2 4.46Å; P74-L111 HydrophobicContact CG-CB 4.03Å; L77-L111 HydrophobicContact CD2-CD2 4.36Å; L78-L111 HydrophobicContact CD2-CD2 4.19Å; L78-L111 HydrophobicContact CG-CD2 4.38Å; V102-L111 HydrophobicContact CB-CD2 4.45Å; V102-L111 HydrophobicContact CG1-CD2 3.79Å; V102-L111 HydrophobicContact CG1-CG 4.39Å; V103-L111 HydrophobicContact CG2-CD1 3.98Å; V108-L111 WeakPolarHBondContact O-CB 3.48Å; V108-L111 WeakPolarHBondContact O-CG 3.48Å; V108-L111 PolarHBondContact O-N 2.91Å; V108-L111 VanDerWaalsContact O-N 3.17Å; L109-L111 PolarHBondContact O-N 3.31Å |
| 112 | W | 96.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 58 Ų | 58 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -95.2 | 8 | 176.9 | -73.8 | -88.8 | 0 | 0 | 0 | 113.7 | I70 P74 V108 L109 S110 G114 T115 | I70-W112 PolarHBondContact O-NE1 2.84Å; P74-W112 HydrophobicContact CG-CZ2 4.15Å; V108-W112 HydrophobicContact CG1-CZ3 3.95Å; V108-W112 WeakPolarHBondContact O-CZ3 3.38Å; L109-W112 PolarHBondContact O-N 3.13Å; S110-W112 PolarHBondContact O-N 3.31Å; S110-W112 VanDerWaalsContact O-N 3.11Å; W112-G114 PolarHBondContact O-N 3.46Å; W112-T115 VanDerWaalsContact O-CB 3.31Å; W112-T115 WeakPolarHBondContact O-CB 3.19Å; W112-T115 PolarHBondContact O-N 2.93Å; W112-T115 VanDerWaalsContact O-N 3.09Å; W112-T115 PolarHBondContact O-OG1 3.42Å |
| 113 | K | 93.7 | Very high | 93.3 | Very high | 65 Ų | 65 | 61 Ų | 61 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 137.8 | 170.2 | -72.5 | -176.6 | -179.8 | 171.2 | 0 | 109.9 | Q73 L77 S110 A177 H183 | Q73-K113 PolarHBondContact NE2-O 3.32Å; L77-K113 HydrophobicContact CD1-CB 3.97Å; S110-K113 WeakPolarHBondContact O-CB 3.4Å; S110-K113 WeakPolarHBondContact O-CG 3.49Å; S110-K113 PolarHBondContact O-N 2.76Å; K113-A177 WeakPolarHBondContact CB-O 3.12Å; K113-H183 WeakPolarHBondContact CE-O 3.33Å; K113-H183 PolarHBondContact NZ-O 3.27Å |
| 114 | G | 93.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -3.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W112 L116 P117 S118 | W112-G114 PolarHBondContact O-N 3.46Å; G114-L116 PolarHBondContact O-N 3.41Å; G114-P117 WeakPolarHBondContact O-CD 3.5Å; G114-P117 WeakPolarHBondContact O-CG 3.39Å; G114-S118 WeakPolarHBondContact O-CB 3.19Å; G114-S118 PolarHBondContact O-N 2.88Å; G114-S118 VanDerWaalsContact O-N 3.08Å; G114-S118 PolarHBondContact O-OG 2.85Å |
| 115 | T | 94.7 | Very high | 92.9 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | I70 Q73 W112 S118 L119 | I70-T115 HydrophobicContact CG1-CG2 3.88Å; Q73-T115 WeakPolarHBondContact CG-OG1 3.24Å; W112-T115 VanDerWaalsContact O-CB 3.31Å; W112-T115 WeakPolarHBondContact O-CB 3.19Å; W112-T115 PolarHBondContact O-N 2.93Å; W112-T115 VanDerWaalsContact O-N 3.09Å; W112-T115 PolarHBondContact O-OG1 3.42Å; T115-S118 CarbonylContact O-C 3.38Å; T115-S118 WeakPolarHBondContact O-CA 3.03Å; T115-S118 VanDerWaalsContact O-CB 3.25Å; T115-S118 WeakPolarHBondContact O-CB 3.27Å; T115-S118 PolarHBondContact O-N 3.2Å; T115-S118 VanDerWaalsContact O-N 3.1Å; T115-L119 HydrophobicContact CG2-CD1 3.84Å; T115-L119 HydrophobicContact CG2-CG 4.13Å; T115-L119 WeakPolarHBondContact O-CG 3.49Å; T115-L119 PolarHBondContact O-N 2.78Å |
| 116 | L | 95.2 | Very high | 92.6 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -55.3 | -177.6 | -177.6 | 63.2 | 0 | 0 | 0 | 113.4 | G114 S118 L119 L120 L187 | G114-L116 PolarHBondContact O-N 3.41Å; L116-S118 PolarHBondContact O-N 2.86Å; L116-L119 PolarHBondContact O-N 3.14Å; L116-L120 HydrophobicContact CD1-CD1 4.36Å; L116-L120 HydrophobicContact CD1-CG 4.3Å; L116-L120 HydrophobicContact CG-CD1 4.21Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 2.94Å; L116-L187 HydrophobicContact CB-CD1 4.26Å; L116-L187 HydrophobicContact CD2-CD1 3.81Å; L116-L187 HydrophobicContact CG-CD1 4.43Å |
| 117 | P | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -25.6 | 175.9 | 25 | -34 | 0 | 0 | 0 | 112.4 | G114 R121 L173 K174 L187 | G114-P117 WeakPolarHBondContact O-CD 3.5Å; G114-P117 WeakPolarHBondContact O-CG 3.39Å; P117-R121 WeakPolarHBondContact O-CB 3.49Å; P117-R121 PolarHBondContact O-N 3.49Å; P117-L173 HydrophobicContact CB-CD2 4.41Å; P117-L173 HydrophobicContact CB-CG 4.35Å; P117-K174 HydrophobicContact CB-CB 4.09Å; P117-K174 HydrophobicContact CG-CB 4Å; P117-L187 HydrophobicContact CG-CD2 4.46Å |
| 118 | S | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 172.1 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | Q73 G114 T115 L116 R121 V122 K174 | Q73-S118 PolarHBondContact OE1-OG 2.7Å; G114-S118 WeakPolarHBondContact O-CB 3.19Å; G114-S118 PolarHBondContact O-N 2.88Å; G114-S118 VanDerWaalsContact O-N 3.08Å; G114-S118 PolarHBondContact O-OG 2.85Å; T115-S118 CarbonylContact O-C 3.38Å; T115-S118 WeakPolarHBondContact O-CA 3.03Å; T115-S118 VanDerWaalsContact O-CB 3.25Å; T115-S118 WeakPolarHBondContact O-CB 3.27Å; T115-S118 PolarHBondContact O-N 3.2Å; T115-S118 VanDerWaalsContact O-N 3.1Å; L116-S118 PolarHBondContact O-N 2.86Å; S118-R121 PolarHBondContact O-N 3.16Å; S118-V122 VanDerWaalsContact O-CG2 3.29Å; S118-V122 WeakPolarHBondContact O-CG2 3.44Å; S118-V122 PolarHBondContact O-N 3.42Å; S118-K174 WeakPolarHBondContact OG-CD 3.36Å; S118-K174 WeakPolarHBondContact OG-CE 3.36Å; S118-K174 PolarHBondContact OG-NZ 2.77Å |
| 119 | L | 94.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 178.7 | -70.1 | 175.7 | 0 | 0 | 0 | 111.5 | A66 T69 I70 T115 L116 R121 V122 V123 | A66-L119 HydrophobicContact CB-CD2 3.85Å; T69-L119 HydrophobicContact CG2-CD2 4.22Å; I70-L119 HydrophobicContact CD1-CD1 4.27Å; I70-L119 HydrophobicContact CD1-CD2 4.49Å; I70-L119 HydrophobicContact CG1-CD1 4.25Å; I70-L119 HydrophobicContact CG1-CD2 4.25Å; T115-L119 HydrophobicContact CG2-CD1 3.84Å; T115-L119 HydrophobicContact CG2-CG 4.13Å; T115-L119 WeakPolarHBondContact O-CG 3.49Å; T115-L119 PolarHBondContact O-N 2.78Å; L116-L119 PolarHBondContact O-N 3.14Å; L119-R121 PolarHBondContact O-N 3.29Å; L119-R121 VanDerWaalsContact O-N 3.14Å; L119-V122 PolarHBondContact O-N 3.47Å; L119-V122 VanDerWaalsContact O-N 3.14Å; L119-V123 PolarHBondContact O-N 3.35Å |
| 120 | L | 94.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -20.8 | 174.9 | -70.9 | 178.1 | 0 | 0 | 0 | 113.2 | L116 P124 L170 | L116-L120 HydrophobicContact CD1-CD1 4.36Å; L116-L120 HydrophobicContact CD1-CG 4.3Å; L116-L120 HydrophobicContact CG-CD1 4.21Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 2.94Å; L120-P124 WeakPolarHBondContact O-CD 3.33Å; L120-P124 WeakPolarHBondContact O-CG 3.25Å; L120-L170 HydrophobicContact CB-CD1 3.72Å; L120-L170 WeakPolarHBondContact O-CD1 3.33Å |
| 121 | R | 92.9 | Very high | 91.2 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 30% | 0.302 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -89.2 | -42.6 | 172.3 | -179.3 | -173.2 | 63.6 | 69.1 | 12 | 112 | P117 S118 L119 G125 F167 L170 | P117-R121 WeakPolarHBondContact O-CB 3.49Å; P117-R121 PolarHBondContact O-N 3.49Å; S118-R121 PolarHBondContact O-N 3.16Å; L119-R121 PolarHBondContact O-N 3.29Å; L119-R121 VanDerWaalsContact O-N 3.14Å; R121-G125 WeakPolarHBondContact O-CA 2.77Å; R121-G125 PolarHBondContact O-N 3.42Å; R121-F167 HydrophobicContact CG-CB 3.91Å; R121-F167 HydrophobicContact CG-CD1 4.35Å; R121-F167 HydrophobicContact CG-CG 4.06Å; R121-L170 HydrophobicContact CB-CB 4.48Å; R121-L170 HydrophobicContact CB-CD1 4.23Å |
| 122 | V | 88.5 | Confident | 91 | Very high | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.6 | -51.2 | -173.6 | 168 | 0 | 0 | 0 | 0 | 111 | S118 L119 G125 I126 | S118-V122 VanDerWaalsContact O-CG2 3.29Å; S118-V122 WeakPolarHBondContact O-CG2 3.44Å; S118-V122 PolarHBondContact O-N 3.42Å; L119-V122 PolarHBondContact O-N 3.47Å; L119-V122 VanDerWaalsContact O-N 3.14Å; V122-G125 PolarHBondContact O-N 3.04Å; V122-I126 HydrophobicContact CG1-CD1 4.12Å; V122-I126 WeakPolarHBondContact O-CG1 3.5Å; V122-I126 PolarHBondContact O-N 2.97Å; V122-I126 VanDerWaalsContact O-N 3.15Å |
| 123 | V | 87.2 | Confident | 90.6 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 38% | 0.382 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.5 | -58.8 | -172.2 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | L62 L119 G125 | L62-V123 HydrophobicContact CD1-CG1 4.41Å; L62-V123 HydrophobicContact CD2-CG1 4.41Å; L119-V123 PolarHBondContact O-N 3.35Å; V123-G125 VanDerWaalsContact C-N 3.31Å; V123-G125 PolarHBondContact O-N 2.91Å |
| 124 | P | 89.6 | Confident | 90.3 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.8 | -21.9 | 177.2 | 31.5 | -37 | 0 | 0 | 0 | 112.8 | L120 I126 G127 L128 F167 | L120-P124 WeakPolarHBondContact O-CD 3.33Å; L120-P124 WeakPolarHBondContact O-CG 3.25Å; P124-I126 VanDerWaalsContact C-N 3.33Å; P124-I126 PolarHBondContact O-N 3.01Å; P124-G127 PolarHBondContact O-N 3.36Å; P124-L128 WeakPolarHBondContact O-CB 3.47Å; P124-L128 PolarHBondContact O-N 3.49Å; P124-F167 HydrophobicContact CB-CE1 4.42Å; P124-F167 HydrophobicContact CB-CZ 3.82Å; P124-F167 HydrophobicContact CG-CE1 3.76Å; P124-F167 HydrophobicContact CG-CZ 3.59Å |
| 125 | G | 88.9 | Confident | 90 | Very high | 10 Ų | 10 | 48 Ų | 48 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -35.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R121 V122 V123 Y129 F167 | R121-G125 WeakPolarHBondContact O-CA 2.77Å; R121-G125 PolarHBondContact O-N 3.42Å; V122-G125 PolarHBondContact O-N 3.04Å; V123-G125 VanDerWaalsContact C-N 3.31Å; V123-G125 PolarHBondContact O-N 2.91Å; G125-Y129 WeakPolarHBondContact O-CB 3.33Å; G125-Y129 PolarHBondContact O-N 2.96Å; G125-F167 VanDerWaalsContact CA-CE2 3.49Å |
| 126 | I | 84.8 | Confident | 89.7 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -49.8 | 174.9 | -68.8 | 163.8 | 0 | 0 | 0 | 110 | L58 L62 V122 P124 L128 Y129 F130 | L58-I126 HydrophobicContact CD1-CG2 4.37Å; L62-I126 HydrophobicContact CD2-CB 4Å; L62-I126 HydrophobicContact CD2-CD1 3.68Å; L62-I126 HydrophobicContact CD2-CG1 4.41Å; L62-I126 HydrophobicContact CD2-CG2 4.25Å; V122-I126 HydrophobicContact CG1-CD1 4.12Å; V122-I126 WeakPolarHBondContact O-CG1 3.5Å; V122-I126 PolarHBondContact O-N 2.97Å; V122-I126 VanDerWaalsContact O-N 3.15Å; P124-I126 VanDerWaalsContact C-N 3.33Å; P124-I126 PolarHBondContact O-N 3.01Å; I126-L128 PolarHBondContact O-N 3.13Å; I126-Y129 PolarHBondContact O-N 3.19Å; I126-F130 HydrophobicContact CG2-CD2 3.96Å; I126-F130 HydrophobicContact CG2-CE2 3.73Å; I126-F130 WeakPolarHBondContact O-CD2 3.34Å; I126-F130 PolarHBondContact O-N 3.1Å |
| 127 | G | 85.8 | Confident | 89.2 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P124 Y129 F130 Y131 | P124-G127 PolarHBondContact O-N 3.36Å; G127-Y129 PolarHBondContact O-N 2.94Å; G127-F130 PolarHBondContact O-N 3.23Å; G127-Y131 WeakPolarHBondContact O-CB 3.45Å; G127-Y131 PolarHBondContact O-N 2.71Å |
| 128 | L | 89.8 | Confident | 88.7 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 179.1 | -82 | 164.4 | 0 | 0 | 0 | 113.5 | P124 I126 Y131 F132 T163 L166 F167 | P124-L128 WeakPolarHBondContact O-CB 3.47Å; P124-L128 PolarHBondContact O-N 3.49Å; I126-L128 PolarHBondContact O-N 3.13Å; L128-Y131 HydrophobicContact CD2-CD1 4.47Å; L128-Y131 PolarHBondContact O-N 3.03Å; L128-F132 HydrophobicContact CB-CE2 4.47Å; L128-F132 HydrophobicContact CD2-CE2 4.33Å; L128-F132 WeakPolarHBondContact O-CD2 3.28Å; L128-F132 PolarHBondContact O-N 3.45Å; L128-T163 HydrophobicContact CB-CG2 4.46Å; L128-L166 HydrophobicContact CD1-CD2 3.42Å; L128-L166 VanDerWaalsContact CD1-CD2 3.42Å; L128-L166 HydrophobicContact CD2-CD2 4.42Å; L128-F167 HydrophobicContact CB-CE2 4.41Å; L128-F167 HydrophobicContact CD1-CE2 3.38Å; L128-F167 HydrophobicContact CD1-CZ 3.52Å |
| 129 | Y | 86.9 | Confident | 88 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 13% | 0.129 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 173.3 | 170.7 | -104.3 | 0 | 0 | 0 | 110.8 | G125 I126 G127 Y131 F132 V133 A159 R160 T163 | G125-Y129 WeakPolarHBondContact O-CB 3.33Å; G125-Y129 PolarHBondContact O-N 2.96Å; I126-Y129 PolarHBondContact O-N 3.19Å; G127-Y129 PolarHBondContact O-N 2.94Å; Y129-Y131 PolarHBondContact O-N 3.38Å; Y129-F132 PolarHBondContact O-N 2.86Å; Y129-V133 HydrophobicContact CD1-CG2 4.41Å; Y129-V133 HydrophobicContact CD2-CG2 4.25Å; Y129-V133 HydrophobicContact CE1-CG2 3.97Å; Y129-V133 HydrophobicContact CE2-CG2 3.79Å; Y129-V133 WeakPolarHBondContact O-CG2 3.3Å; Y129-V133 PolarHBondContact O-N 3.19Å; Y129-A159 HydrophobicContact CD2-CB 3.89Å; Y129-A159 HydrophobicContact CE2-CB 3.86Å; Y129-R160 HydrophobicContact CD2-CG 4.19Å; Y129-R160 HydrophobicContact CE2-CG 3.8Å; Y129-T163 WeakPolarHBondContact CA-OG1 3.49Å |
| 130 | F | 85.4 | Confident | 86.9 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 178.2 | -74 | -65.5 | 0 | 0 | 0 | 112.7 | F9 I126 G127 V133 Q134 | F9-F130 HydrophobicContact CD2-CE1 4.25Å; F9-F130 AromaticContact CD2-CZ 3.66Å; F9-F130 HydrophobicContact CD2-CZ 3.66Å; F9-F130 HydrophobicContact CE2-CZ 4.03Å; I126-F130 HydrophobicContact CG2-CD2 3.96Å; I126-F130 HydrophobicContact CG2-CE2 3.73Å; I126-F130 WeakPolarHBondContact O-CD2 3.34Å; I126-F130 PolarHBondContact O-N 3.1Å; G127-F130 PolarHBondContact O-N 3.23Å; F130-V133 PolarHBondContact O-N 3.36Å; F130-Q134 WeakPolarHBondContact O-CB 3.49Å; F130-Q134 PolarHBondContact O-N 3.4Å |
| 131 | Y | 88.9 | Confident | 85.7 | Confident | 136 Ų | 136 | 52 Ų | 52 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.8 | -50 | 172.6 | 173.1 | -99.2 | 0 | 0 | 0 | 111.5 | G127 L128 Y129 Q134 L135 | G127-Y131 WeakPolarHBondContact O-CB 3.45Å; G127-Y131 PolarHBondContact O-N 2.71Å; L128-Y131 HydrophobicContact CD2-CD1 4.47Å; L128-Y131 PolarHBondContact O-N 3.03Å; Y129-Y131 PolarHBondContact O-N 3.38Å; Y131-Q134 PolarHBondContact O-N 3.43Å; Y131-L135 HydrophobicContact CE1-CD2 4.26Å; Y131-L135 WeakPolarHBondContact O-CB 3.38Å; Y131-L135 PolarHBondContact O-N 3.08Å |
| 132 | F | 90.8 | Very high | 84 | Confident | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.6 | -72.2 | -52.1 | 0 | 0 | 0 | 112.9 | L128 Y129 Q134 L135 L136 A159 L162 | L128-F132 HydrophobicContact CB-CE2 4.47Å; L128-F132 HydrophobicContact CD2-CE2 4.33Å; L128-F132 WeakPolarHBondContact O-CD2 3.28Å; L128-F132 PolarHBondContact O-N 3.45Å; Y129-F132 PolarHBondContact O-N 2.86Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 2.96Å; F132-L135 HydrophobicContact CD1-CD2 4.27Å; F132-L135 PolarHBondContact O-N 3.14Å; F132-L136 VanDerWaalsContact O-CB 3.24Å; F132-L136 WeakPolarHBondContact O-CB 3.14Å; F132-L136 WeakPolarHBondContact O-CD1 3.37Å; F132-L136 VanDerWaalsContact O-CG 3.24Å; F132-L136 WeakPolarHBondContact O-CG 3.47Å; F132-L136 PolarHBondContact O-N 3.01Å; F132-A159 HydrophobicContact CB-CB 3.82Å; F132-L162 HydrophobicContact CD1-CB 4.37Å; F132-L162 HydrophobicContact CD1-CD1 3.89Å; F132-L162 HydrophobicContact CD2-CB 3.86Å; F132-L162 HydrophobicContact CE1-CB 4.33Å; F132-L162 HydrophobicContact CE1-CD1 4.18Å; F132-L162 HydrophobicContact CE2-CB 3.81Å; F132-L162 HydrophobicContact CG-CB 4.16Å; F132-L162 HydrophobicContact CG-CD1 4.2Å; F132-L162 HydrophobicContact CZ-CB 4.06Å |
| 133 | V | 86.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 172.7 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | F12 Y129 F130 S137 I155 A159 | F12-V133 HydrophobicContact CD2-CG1 3.98Å; F12-V133 HydrophobicContact CE2-CG1 3.51Å; F12-V133 HydrophobicContact CZ-CG1 4.1Å; Y129-V133 HydrophobicContact CD1-CG2 4.41Å; Y129-V133 HydrophobicContact CD2-CG2 4.25Å; Y129-V133 HydrophobicContact CE1-CG2 3.97Å; Y129-V133 HydrophobicContact CE2-CG2 3.79Å; Y129-V133 WeakPolarHBondContact O-CG2 3.3Å; Y129-V133 PolarHBondContact O-N 3.19Å; F130-V133 PolarHBondContact O-N 3.36Å; V133-S137 WeakPolarHBondContact O-CB 3.39Å; V133-S137 PolarHBondContact O-N 2.95Å; V133-S137 PolarHBondContact O-OG 2.94Å; V133-I155 HydrophobicContact CB-CG2 4.38Å; V133-I155 HydrophobicContact CG1-CG2 4.1Å; V133-I155 HydrophobicContact CG2-CG2 4.42Å; V133-A159 HydrophobicContact CG2-CB 3.57Å |
| 134 | Q | 87.1 | Confident | 81.4 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 179.3 | -178.5 | 58.8 | 27 | 0 | 0 | 112.3 | F130 Y131 F132 S137 T138 | F130-Q134 WeakPolarHBondContact O-CB 3.49Å; F130-Q134 PolarHBondContact O-N 3.4Å; Y131-Q134 PolarHBondContact O-N 3.43Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 2.96Å; Q134-S137 PolarHBondContact O-N 3.09Å; Q134-T138 PolarHBondContact NE2-OG1 3.19Å; Q134-T138 WeakPolarHBondContact O-CB 3.49Å; Q134-T138 PolarHBondContact O-N 3.23Å; Q134-T138 PolarHBondContact O-OG1 3.2Å |
| 135 | L | 89.2 | Confident | 80.4 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 40% | 0.398 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 178 | -178 | 66.4 | 0 | 0 | 0 | 110.9 | Y131 F132 T138 T139 | Y131-L135 HydrophobicContact CE1-CD2 4.26Å; Y131-L135 WeakPolarHBondContact O-CB 3.38Å; Y131-L135 PolarHBondContact O-N 3.08Å; F132-L135 HydrophobicContact CD1-CD2 4.27Å; F132-L135 PolarHBondContact O-N 3.14Å; L135-T138 PolarHBondContact O-N 3.13Å; L135-T139 PolarHBondContact O-N 3.1Å; L135-T139 PolarHBondContact O-OG1 3.44Å |
| 136 | L | 88 | Confident | 79.5 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70 | -36.4 | 179.4 | -68.9 | 168.2 | 0 | 0 | 0 | 112.1 | F132 T138 T139 A140 I155 M158 A159 L162 | F132-L136 VanDerWaalsContact O-CB 3.24Å; F132-L136 WeakPolarHBondContact O-CB 3.14Å; F132-L136 WeakPolarHBondContact O-CD1 3.37Å; F132-L136 VanDerWaalsContact O-CG 3.24Å; F132-L136 WeakPolarHBondContact O-CG 3.47Å; F132-L136 PolarHBondContact O-N 3.01Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 2.63Å; L136-T139 PolarHBondContact O-N 3.36Å; L136-A140 WeakPolarHBondContact O-CB 2.78Å; L136-A140 PolarHBondContact O-N 3.12Å; L136-I155 HydrophobicContact CB-CG1 4.21Å; L136-I155 HydrophobicContact CB-CG2 4Å; L136-M158 HydrophobicContact CD1-CB 3.55Å; L136-A159 HydrophobicContact CD1-CB 4.18Å; L136-L162 HydrophobicContact CD1-CD1 4.43Å |
| 137 | S | 84.1 | Confident | 78.9 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 175.6 | -63 | 0 | 0 | 0 | 0 | 112.2 | V133 Q134 R141 | V133-S137 WeakPolarHBondContact O-CB 3.39Å; V133-S137 PolarHBondContact O-N 2.95Å; V133-S137 PolarHBondContact O-OG 2.94Å; Q134-S137 PolarHBondContact O-N 3.09Å; S137-R141 VanDerWaalsContact O-CG 3.28Å; S137-R141 WeakPolarHBondContact O-CG 3.21Å; S137-R141 PolarHBondContact O-N 3.3Å |
| 138 | T | 83.6 | Confident | 78.2 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 176.3 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | Q134 L135 L136 | Q134-T138 PolarHBondContact NE2-OG1 3.19Å; Q134-T138 WeakPolarHBondContact O-CB 3.49Å; Q134-T138 PolarHBondContact O-N 3.23Å; Q134-T138 PolarHBondContact O-OG1 3.2Å; L135-T138 PolarHBondContact O-N 3.13Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 2.63Å |
| 139 | T | 80 | Confident | 77.4 | Confident | 65 Ų | 65 | 73.4 Ų | 73.4 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 178 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | L135 L136 R141 M142 S143 | L135-T139 PolarHBondContact O-N 3.1Å; L135-T139 PolarHBondContact O-OG1 3.44Å; L136-T139 PolarHBondContact O-N 3.36Å; T139-R141 VanDerWaalsContact C-N 3.29Å; T139-R141 PolarHBondContact O-N 3.05Å; T139-M142 HydrophobicContact CG2-CE 4.32Å; T139-M142 WeakPolarHBondContact O-CA 3.46Å; T139-M142 VanDerWaalsContact O-CB 3.27Å; T139-M142 WeakPolarHBondContact O-CB 3.42Å; T139-M142 PolarHBondContact O-N 3.29Å; T139-S143 PolarHBondContact O-N 3.04Å |
| 140 | A | 71.2 | Confident | 77 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.2 | -21.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L136 M142 S143 R151 I155 | L136-A140 WeakPolarHBondContact O-CB 2.78Å; L136-A140 PolarHBondContact O-N 3.12Å; A140-M142 PolarHBondContact O-N 3.26Å; A140-S143 CarbonylContact O-C 3.46Å; A140-S143 PolarHBondContact O-N 3.07Å; A140-S143 VanDerWaalsContact O-N 3.15Å; A140-S143 VanDerWaalsContact O-O 3.09Å; A140-R151 HydrophobicContact CB-CG 4.23Å; A140-I155 HydrophobicContact CB-CD1 4.08Å; A140-I155 HydrophobicContact CB-CG1 4.36Å |
| 141 | R | 69.1 | Low | 76.7 | Confident | 146 Ų | 146 | 79.7 Ų | 79.7 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63 | -28.8 | 167.5 | -81.9 | 174.3 | -177.3 | 164.5 | 2.5 | 112 | S137 T139 | S137-R141 VanDerWaalsContact O-CG 3.28Å; S137-R141 WeakPolarHBondContact O-CG 3.21Å; S137-R141 PolarHBondContact O-N 3.3Å; T139-R141 VanDerWaalsContact C-N 3.29Å; T139-R141 PolarHBondContact O-N 3.05Å |
| 142 | M | 58.7 | Low | 76.3 | Confident | 144 Ų | 144 | 75.9 Ų | 75.9 | 71% | 0.709 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -78.7 | -25.9 | 173.1 | -57.3 | -174.3 | -78.1 | 0 | 0 | 111.9 | T139 A140 T144 | T139-M142 HydrophobicContact CG2-CE 4.32Å; T139-M142 WeakPolarHBondContact O-CA 3.46Å; T139-M142 VanDerWaalsContact O-CB 3.27Å; T139-M142 WeakPolarHBondContact O-CB 3.42Å; T139-M142 PolarHBondContact O-N 3.29Å; A140-M142 PolarHBondContact O-N 3.26Å; M142-T144 PolarHBondContact O-N 3.15Å |
| 143 | S | 62.2 | Low | 75.9 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | trans | -92.9 | 82.4 | 178.5 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | T139 A140 A145 | T139-S143 PolarHBondContact O-N 3.04Å; A140-S143 CarbonylContact O-C 3.46Å; A140-S143 PolarHBondContact O-N 3.07Å; A140-S143 VanDerWaalsContact O-N 3.15Å; A140-S143 VanDerWaalsContact O-O 3.09Å; S143-A145 PolarHBondContact O-N 2.97Å; S143-A145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | T | 58.8 | Low | 75.8 | Confident | 135 Ų | 135 | 84.3 Ų | 84.3 | 83% | 0.828 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -1.4 | -173.6 | 43 | 0 | 0 | 0 | 0 | 116.2 | M142 M146 | M142-T144 PolarHBondContact O-N 3.15Å; T144-M146 PolarHBondContact O-N 3.35Å |
| 145 | A | 68.1 | Low | 75.8 | Confident | 102 Ų | 102 | 81.1 Ų | 81.1 | 84% | 0.843 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S143 | S143-A145 PolarHBondContact O-N 2.97Å; S143-A145 VanDerWaalsContact O-N 3.12Å |
| 146 | M | 69.3 | Low | 75.6 | Confident | 85 Ų | 85 | 78 Ų | 78 | 42% | 0.419 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -102 | 135.3 | -173.4 | -164.4 | 173.7 | -76.2 | 0 | 0 | 112.6 | T144 F150 R151 Y154 | T144-M146 PolarHBondContact O-N 3.35Å; M146-F150 HydrophobicContact CG-CB 3.82Å; M146-F150 HydrophobicContact SD-CB 3.98Å; M146-R151 HydrophobicContact SD-CB 4.43Å; M146-Y154 HydrophobicContact CE-CD2 4.36Å; M146-Y154 HydrophobicContact CE-CG 4.15Å; M146-Y154 HydrophobicContact SD-CG 4.25Å |
| 147 | P | 73.5 | Confident | 75.6 | Confident | 84 Ų | 84 | 80 Ų | 80 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | trans | -57.2 | 146.2 | 174.6 | -20.4 | 29.4 | 0 | 0 | 0 | 112.1 | G149 F150 R151 | P147-G149 VanDerWaalsContact C-N 3.34Å; P147-G149 PolarHBondContact O-N 3.27Å; P147-F150 HydrophobicContact CB-CD2 4.09Å; P147-F150 HydrophobicContact CG-CD2 4.2Å; P147-F150 PolarHBondContact O-N 3.38Å; P147-F150 VanDerWaalsContact O-N 3.09Å; P147-R151 PolarHBondContact O-N 3.16Å; P147-R151 VanDerWaalsContact O-N 3.14Å | ||
| 148 | F | 71.3 | Confident | 75.9 | Confident | 139 Ų | 139 | 81.8 Ų | 81.8 | 61% | 0.61 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -52.9 | -45.1 | -168.1 | -175.2 | -98.6 | 0 | 0 | 0 | 113.9 | Y152 | F148-Y152 AromaticContact CD1-CE2 3.98Å; F148-Y152 HydrophobicContact CD1-CE2 3.98Å; F148-Y152 HydrophobicContact CD2-CE2 4.12Å; F148-Y152 HydrophobicContact CE1-CD2 4.38Å; F148-Y152 AromaticContact CE1-CE2 3.57Å; F148-Y152 HydrophobicContact CE1-CE2 3.57Å; F148-Y152 AromaticContact CE2-CE2 3.73Å; F148-Y152 HydrophobicContact CE2-CE2 3.73Å; F148-Y152 HydrophobicContact CG-CE2 4.25Å; F148-Y152 AromaticContact CZ-CE2 3.44Å; F148-Y152 HydrophobicContact CZ-CE2 3.44Å; F148-Y152 VanDerWaalsContact CZ-CE2 3.44Å; F148-Y152 AromaticContact CZ-CZ 3.84Å; F148-Y152 WeakPolarHBondContact CZ-OH 3.19Å; F148-Y152 WeakPolarHBondContact O-CD2 3.31Å |
| 149 | G | 71.7 | Confident | 76.2 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P147 R151 Y152 V153 | P147-G149 VanDerWaalsContact C-N 3.34Å; P147-G149 PolarHBondContact O-N 3.27Å; G149-R151 VanDerWaalsContact C-N 3.27Å; G149-R151 PolarHBondContact O-N 3.33Å; G149-Y152 PolarHBondContact O-N 2.69Å; G149-V153 PolarHBondContact O-N 3.05Å |
| 150 | F | 79.2 | Confident | 76.6 | Confident | 145 Ų | 145 | 81 Ų | 81 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.1 | -31.9 | 179.5 | -78.8 | -81.8 | 0 | 0 | 0 | 112.2 | M146 P147 Y152 V153 Y154 | M146-F150 HydrophobicContact CG-CB 3.82Å; M146-F150 HydrophobicContact SD-CB 3.98Å; P147-F150 HydrophobicContact CB-CD2 4.09Å; P147-F150 HydrophobicContact CG-CD2 4.2Å; P147-F150 PolarHBondContact O-N 3.38Å; P147-F150 VanDerWaalsContact O-N 3.09Å; F150-Y152 PolarHBondContact O-N 3.22Å; F150-V153 PolarHBondContact O-N 3.29Å; F150-Y154 VanDerWaalsContact O-CB 3.29Å; F150-Y154 WeakPolarHBondContact O-CB 3.42Å; F150-Y154 PolarHBondContact O-N 3.34Å |
| 151 | R | 79 | Confident | 77.7 | Confident | 58 Ų | 58 | 80.7 Ų | 80.7 | 22% | 0.219 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 178.5 | -172.9 | 175.8 | 68 | -177.4 | -1.9 | 112.8 | A140 M146 P147 G149 Y154 I155 | A140-R151 HydrophobicContact CB-CG 4.23Å; M146-R151 HydrophobicContact SD-CB 4.43Å; P147-R151 PolarHBondContact O-N 3.16Å; P147-R151 VanDerWaalsContact O-N 3.14Å; G149-R151 VanDerWaalsContact C-N 3.27Å; G149-R151 PolarHBondContact O-N 3.33Å; R151-Y154 PolarHBondContact O-N 3.33Å; R151-I155 HydrophobicContact CG-CD1 3.83Å; R151-I155 WeakPolarHBondContact O-CB 3.14Å; R151-I155 WeakPolarHBondContact O-CD1 3.4Å; R151-I155 VanDerWaalsContact O-CG1 3.23Å; R151-I155 WeakPolarHBondContact O-CG1 3.3Å; R151-I155 PolarHBondContact O-N 3Å |
| 152 | Y | 81.1 | Confident | 78.9 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 22% | 0.22 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 179.8 | -66.6 | -82 | 0 | 0 | 0 | 111.9 | F12 F148 G149 F150 Y154 I155 G156 | F12-Y152 VanDerWaalsContact CE1-O 3.25Å; F12-Y152 WeakPolarHBondContact CE1-O 3.46Å; F12-Y152 HydrophobicContact CE2-CD1 4.2Å; F12-Y152 HydrophobicContact CZ-CD1 4.08Å; F148-Y152 AromaticContact CD1-CE2 3.98Å; F148-Y152 HydrophobicContact CD1-CE2 3.98Å; F148-Y152 HydrophobicContact CD2-CE2 4.12Å; F148-Y152 HydrophobicContact CE1-CD2 4.38Å; F148-Y152 AromaticContact CE1-CE2 3.57Å; F148-Y152 HydrophobicContact CE1-CE2 3.57Å; F148-Y152 AromaticContact CE2-CE2 3.73Å; F148-Y152 HydrophobicContact CE2-CE2 3.73Å; F148-Y152 HydrophobicContact CG-CE2 4.25Å; F148-Y152 AromaticContact CZ-CE2 3.44Å; F148-Y152 HydrophobicContact CZ-CE2 3.44Å; F148-Y152 VanDerWaalsContact CZ-CE2 3.44Å; F148-Y152 AromaticContact CZ-CZ 3.84Å; F148-Y152 WeakPolarHBondContact CZ-OH 3.19Å; F148-Y152 WeakPolarHBondContact O-CD2 3.31Å; G149-Y152 PolarHBondContact O-N 2.69Å; F150-Y152 PolarHBondContact O-N 3.22Å; Y152-Y154 VanDerWaalsContact C-N 3.31Å; Y152-Y154 PolarHBondContact O-N 3.15Å; Y152-I155 PolarHBondContact O-N 3.17Å; Y152-G156 PolarHBondContact O-N 3.35Å |
| 153 | V | 81.7 | Confident | 80.5 | Confident | 103 Ų | 103 | 70.6 Ų | 70.6 | 62% | 0.624 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | G149 F150 G156 F157 | G149-V153 PolarHBondContact O-N 3.05Å; F150-V153 PolarHBondContact O-N 3.29Å; V153-G156 PolarHBondContact O-N 3.33Å; V153-F157 VanDerWaalsContact O-CB 3.23Å; V153-F157 WeakPolarHBondContact O-CB 3.32Å; V153-F157 PolarHBondContact O-N 3.18Å |
| 154 | Y | 85.1 | Confident | 81.9 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 43% | 0.427 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 177.4 | 178.4 | -100.9 | 0 | 0 | 0 | 112.2 | M146 F150 R151 Y152 G156 F157 M158 | M146-Y154 HydrophobicContact CE-CD2 4.36Å; M146-Y154 HydrophobicContact CE-CG 4.15Å; M146-Y154 HydrophobicContact SD-CG 4.25Å; F150-Y154 VanDerWaalsContact O-CB 3.29Å; F150-Y154 WeakPolarHBondContact O-CB 3.42Å; F150-Y154 PolarHBondContact O-N 3.34Å; R151-Y154 PolarHBondContact O-N 3.33Å; Y152-Y154 VanDerWaalsContact C-N 3.31Å; Y152-Y154 PolarHBondContact O-N 3.15Å; Y154-G156 VanDerWaalsContact C-N 3.34Å; Y154-G156 PolarHBondContact O-N 3.37Å; Y154-F157 PolarHBondContact O-N 3.37Å; Y154-M158 HydrophobicContact CD1-CG 4.21Å; Y154-M158 HydrophobicContact CD2-CG 4.05Å; Y154-M158 HydrophobicContact CE1-CG 3.82Å; Y154-M158 HydrophobicContact CE2-CE 4.37Å; Y154-M158 HydrophobicContact CE2-CG 3.64Å; Y154-M158 HydrophobicContact CE2-SD 4.06Å; Y154-M158 HydrophobicContact CG-CG 4.32Å; Y154-M158 WeakPolarHBondContact O-CB 3.15Å; Y154-M158 VanDerWaalsContact O-CG 3.29Å; Y154-M158 WeakPolarHBondContact O-CG 3.24Å; Y154-M158 PolarHBondContact O-N 2.94Å |
| 155 | I | 86.7 | Confident | 83.6 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 177.7 | -70.3 | 162.7 | 0 | 0 | 0 | 110.7 | F12 V133 L136 A140 R151 Y152 M158 A159 | F12-I155 HydrophobicContact CZ-CB 4.16Å; F12-I155 HydrophobicContact CZ-CG2 3.82Å; V133-I155 HydrophobicContact CB-CG2 4.38Å; V133-I155 HydrophobicContact CG1-CG2 4.1Å; V133-I155 HydrophobicContact CG2-CG2 4.42Å; L136-I155 HydrophobicContact CB-CG1 4.21Å; L136-I155 HydrophobicContact CB-CG2 4Å; A140-I155 HydrophobicContact CB-CD1 4.08Å; A140-I155 HydrophobicContact CB-CG1 4.36Å; R151-I155 HydrophobicContact CG-CD1 3.83Å; R151-I155 WeakPolarHBondContact O-CB 3.14Å; R151-I155 WeakPolarHBondContact O-CD1 3.4Å; R151-I155 VanDerWaalsContact O-CG1 3.23Å; R151-I155 WeakPolarHBondContact O-CG1 3.3Å; R151-I155 PolarHBondContact O-N 3Å; Y152-I155 PolarHBondContact O-N 3.17Å; I155-M158 PolarHBondContact O-N 2.94Å; I155-A159 WeakPolarHBondContact O-CB 3.31Å; I155-A159 PolarHBondContact O-N 3.41Å |
| 156 | G | 85.1 | Confident | 84.9 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y152 V153 Y154 R160 | Y152-G156 PolarHBondContact O-N 3.35Å; V153-G156 PolarHBondContact O-N 3.33Å; Y154-G156 VanDerWaalsContact C-N 3.34Å; Y154-G156 PolarHBondContact O-N 3.37Å; G156-R160 WeakPolarHBondContact O-CB 3.31Å; G156-R160 VanDerWaalsContact O-CG 3.29Å; G156-R160 WeakPolarHBondContact O-CG 3.47Å; G156-R160 PolarHBondContact O-N 2.83Å |
| 157 | F | 87.3 | Confident | 86.1 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 177.3 | 179.4 | -84.1 | 0 | 0 | 0 | 111.5 | V153 Y154 R160 A161 A215 P216 | V153-F157 VanDerWaalsContact O-CB 3.23Å; V153-F157 WeakPolarHBondContact O-CB 3.32Å; V153-F157 PolarHBondContact O-N 3.18Å; Y154-F157 PolarHBondContact O-N 3.37Å; F157-R160 PolarHBondContact O-N 3.43Å; F157-A161 WeakPolarHBondContact O-CB 3.49Å; F157-A161 PolarHBondContact O-N 2.91Å; F157-A215 HydrophobicContact CD2-CB 3.38Å; F157-A215 HydrophobicContact CE2-CB 3.36Å; F157-A215 HydrophobicContact CG-CB 3.99Å; F157-A215 HydrophobicContact CZ-CB 3.96Å; F157-P216 HydrophobicContact CE2-CG 4.14Å |
| 158 | M | 90.7 | Very high | 87.1 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 179.5 | -73.4 | -70.6 | 106.1 | 0 | 0 | 112.1 | L136 Y154 I155 R160 A161 L162 | L136-M158 HydrophobicContact CD1-CB 3.55Å; Y154-M158 HydrophobicContact CD1-CG 4.21Å; Y154-M158 HydrophobicContact CD2-CG 4.05Å; Y154-M158 HydrophobicContact CE1-CG 3.82Å; Y154-M158 HydrophobicContact CE2-CE 4.37Å; Y154-M158 HydrophobicContact CE2-CG 3.64Å; Y154-M158 HydrophobicContact CE2-SD 4.06Å; Y154-M158 HydrophobicContact CG-CG 4.32Å; Y154-M158 WeakPolarHBondContact O-CB 3.15Å; Y154-M158 VanDerWaalsContact O-CG 3.29Å; Y154-M158 WeakPolarHBondContact O-CG 3.24Å; Y154-M158 PolarHBondContact O-N 2.94Å; I155-M158 PolarHBondContact O-N 2.94Å; M158-R160 VanDerWaalsContact C-N 3.34Å; M158-R160 PolarHBondContact O-N 2.83Å; M158-A161 PolarHBondContact O-N 3.45Å; M158-L162 WeakPolarHBondContact O-CB 3.33Å; M158-L162 WeakPolarHBondContact O-CG 3.45Å; M158-L162 PolarHBondContact O-N 3.34Å |
| 159 | A | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y129 F132 V133 L136 I155 A161 L162 T163 | Y129-A159 HydrophobicContact CD2-CB 3.89Å; Y129-A159 HydrophobicContact CE2-CB 3.86Å; F132-A159 HydrophobicContact CB-CB 3.82Å; V133-A159 HydrophobicContact CG2-CB 3.57Å; L136-A159 HydrophobicContact CD1-CB 4.18Å; I155-A159 WeakPolarHBondContact O-CB 3.31Å; I155-A159 PolarHBondContact O-N 3.41Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 2.97Å; A159-L162 PolarHBondContact O-N 2.86Å; A159-T163 WeakPolarHBondContact O-CB 3.36Å; A159-T163 PolarHBondContact O-N 2.68Å; A159-T163 PolarHBondContact O-OG1 2.99Å |
| 160 | R | 89.8 | Confident | 89.3 | Confident | 117 Ų | 117 | 51.9 Ų | 51.9 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 174.3 | -75.2 | -57.9 | -155.8 | 170.2 | 5.2 | 112.5 | Y129 G156 F157 M158 G164 A215 | Y129-R160 HydrophobicContact CD2-CG 4.19Å; Y129-R160 HydrophobicContact CE2-CG 3.8Å; G156-R160 WeakPolarHBondContact O-CB 3.31Å; G156-R160 VanDerWaalsContact O-CG 3.29Å; G156-R160 WeakPolarHBondContact O-CG 3.47Å; G156-R160 PolarHBondContact O-N 2.83Å; F157-R160 PolarHBondContact O-N 3.43Å; M158-R160 VanDerWaalsContact C-N 3.34Å; M158-R160 PolarHBondContact O-N 2.83Å; R160-G164 PolarHBondContact O-N 2.7Å; R160-A215 HydrophobicContact CB-CB 4.19Å |
| 161 | A | 92.9 | Very high | 90 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -48.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F157 M158 A159 G164 M165 L211 | F157-A161 WeakPolarHBondContact O-CB 3.49Å; F157-A161 PolarHBondContact O-N 2.91Å; M158-A161 PolarHBondContact O-N 3.45Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 2.97Å; A161-G164 PolarHBondContact O-N 3.45Å; A161-M165 VanDerWaalsContact O-CG 3.31Å; A161-M165 WeakPolarHBondContact O-CG 3.28Å; A161-M165 PolarHBondContact O-N 2.84Å; A161-L211 HydrophobicContact CB-CD2 3.93Å; A161-L211 WeakPolarHBondContact O-CD2 3.48Å |
| 162 | L | 94.1 | Very high | 90.8 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63 | -45.7 | 178.8 | -69.1 | 172.3 | 0 | 0 | 0 | 112.1 | F132 L136 M158 A159 G164 M165 L166 | F132-L162 HydrophobicContact CD1-CB 4.37Å; F132-L162 HydrophobicContact CD1-CD1 3.89Å; F132-L162 HydrophobicContact CD2-CB 3.86Å; F132-L162 HydrophobicContact CE1-CB 4.33Å; F132-L162 HydrophobicContact CE1-CD1 4.18Å; F132-L162 HydrophobicContact CE2-CB 3.81Å; F132-L162 HydrophobicContact CG-CB 4.16Å; F132-L162 HydrophobicContact CG-CD1 4.2Å; F132-L162 HydrophobicContact CZ-CB 4.06Å; L136-L162 HydrophobicContact CD1-CD1 4.43Å; M158-L162 WeakPolarHBondContact O-CB 3.33Å; M158-L162 WeakPolarHBondContact O-CG 3.45Å; M158-L162 PolarHBondContact O-N 3.34Å; A159-L162 PolarHBondContact O-N 2.86Å; L162-G164 VanDerWaalsContact C-N 3.31Å; L162-G164 PolarHBondContact O-N 2.64Å; L162-M165 PolarHBondContact O-N 2.9Å; L162-L166 PolarHBondContact O-N 3.39Å; L162-L166 VanDerWaalsContact O-N 3.1Å |
| 163 | T | 92.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 173.3 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | L128 Y129 A159 M165 L166 F167 | L128-T163 HydrophobicContact CB-CG2 4.46Å; Y129-T163 WeakPolarHBondContact CA-OG1 3.49Å; A159-T163 WeakPolarHBondContact O-CB 3.36Å; A159-T163 PolarHBondContact O-N 2.68Å; A159-T163 PolarHBondContact O-OG1 2.99Å; T163-M165 PolarHBondContact O-N 3.49Å; T163-L166 PolarHBondContact O-N 3.01Å; T163-F167 HydrophobicContact CG2-CD2 3.71Å; T163-F167 HydrophobicContact CG2-CE2 3.99Å; T163-F167 VanDerWaalsContact O-CD2 3.3Å; T163-F167 WeakPolarHBondContact O-CD2 3.37Å; T163-F167 PolarHBondContact O-N 2.79Å; T163-F167 VanDerWaalsContact O-N 3.07Å |
| 164 | G | 92.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R160 A161 L162 L168 | R160-G164 PolarHBondContact O-N 2.7Å; A161-G164 PolarHBondContact O-N 3.45Å; L162-G164 VanDerWaalsContact C-N 3.31Å; L162-G164 PolarHBondContact O-N 2.64Å; G164-L168 WeakPolarHBondContact O-CB 3.5Å; G164-L168 PolarHBondContact O-N 3.5Å |
| 165 | M | 93.7 | Very high | 92.6 | Very high | 69 Ų | 69 | 31.7 Ų | 31.7 | 34% | 0.34 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 175.3 | -71.4 | 175.3 | -176.2 | 0 | 0 | 111.4 | A161 L162 T163 F167 L168 Y204 M207 L211 | A161-M165 VanDerWaalsContact O-CG 3.31Å; A161-M165 WeakPolarHBondContact O-CG 3.28Å; A161-M165 PolarHBondContact O-N 2.84Å; L162-M165 PolarHBondContact O-N 2.9Å; T163-M165 PolarHBondContact O-N 3.49Å; M165-F167 VanDerWaalsContact C-N 3.31Å; M165-F167 PolarHBondContact O-N 3.39Å; M165-L168 WeakPolarHBondContact O-CB 3.12Å; M165-L168 PolarHBondContact O-N 2.9Å; M165-Y204 WeakPolarHBondContact O-CE1 3.3Å; M165-M207 HydrophobicContact CB-CE 4.38Å; M165-M207 HydrophobicContact CE-SD 4.24Å; M165-M207 HydrophobicContact CG-CE 4Å; M165-M207 HydrophobicContact CG-SD 4.05Å; M165-L211 HydrophobicContact CE-CD1 3.54Å; M165-L211 HydrophobicContact CE-CD2 4.46Å; M165-L211 HydrophobicContact CG-CD1 4.44Å; M165-L211 HydrophobicContact CG-CD2 4.23Å |
| 166 | L | 95.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 32.1 Ų | 32.1 | 50% | 0.503 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.5 | -39.3 | -179.5 | -171.1 | 73.9 | 0 | 0 | 0 | 112.2 | L128 L162 T163 L168 P169 | L128-L166 HydrophobicContact CD1-CD2 3.42Å; L128-L166 VanDerWaalsContact CD1-CD2 3.42Å; L128-L166 HydrophobicContact CD2-CD2 4.42Å; L162-L166 PolarHBondContact O-N 3.39Å; L162-L166 VanDerWaalsContact O-N 3.1Å; T163-L166 PolarHBondContact O-N 3.01Å; L166-L168 VanDerWaalsContact C-N 3.34Å; L166-P169 WeakPolarHBondContact O-CD 3.44Å |
| 167 | F | 94.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.088 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 9.5 | -179.8 | -72.3 | -64.6 | 0 | 0 | 0 | 114.4 | R121 P124 G125 L128 T163 M165 L170 T171 | R121-F167 HydrophobicContact CG-CB 3.91Å; R121-F167 HydrophobicContact CG-CD1 4.35Å; R121-F167 HydrophobicContact CG-CG 4.06Å; P124-F167 HydrophobicContact CB-CE1 4.42Å; P124-F167 HydrophobicContact CB-CZ 3.82Å; P124-F167 HydrophobicContact CG-CE1 3.76Å; P124-F167 HydrophobicContact CG-CZ 3.59Å; G125-F167 VanDerWaalsContact CA-CE2 3.49Å; L128-F167 HydrophobicContact CB-CE2 4.41Å; L128-F167 HydrophobicContact CD1-CE2 3.38Å; L128-F167 HydrophobicContact CD1-CZ 3.52Å; T163-F167 HydrophobicContact CG2-CD2 3.71Å; T163-F167 HydrophobicContact CG2-CE2 3.99Å; T163-F167 VanDerWaalsContact O-CD2 3.3Å; T163-F167 WeakPolarHBondContact O-CD2 3.37Å; T163-F167 PolarHBondContact O-N 2.79Å; T163-F167 VanDerWaalsContact O-N 3.07Å; M165-F167 VanDerWaalsContact C-N 3.31Å; M165-F167 PolarHBondContact O-N 3.39Å; F167-L170 HydrophobicContact CD1-CD1 3.63Å; F167-L170 HydrophobicContact CD1-CG 4.32Å; F167-L170 HydrophobicContact CE1-CD1 4Å; F167-L170 PolarHBondContact O-N 2.76Å; F167-T171 WeakPolarHBondContact O-CB 3.31Å; F167-T171 PolarHBondContact O-N 2.95Å; F167-T171 PolarHBondContact O-OG1 3.16Å |
| 168 | L | 94.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 179.1 | -163.4 | 61.2 | 0 | 0 | 0 | 112.5 | G164 M165 L166 L170 T171 V172 L203 Y204 M207 T210 | G164-L168 WeakPolarHBondContact O-CB 3.5Å; G164-L168 PolarHBondContact O-N 3.5Å; M165-L168 WeakPolarHBondContact O-CB 3.12Å; M165-L168 PolarHBondContact O-N 2.9Å; L166-L168 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 2.67Å; L168-T171 HydrophobicContact CD1-CG2 4.44Å; L168-T171 CarbonylContact O-C 3.53Å; L168-T171 WeakPolarHBondContact O-CA 3.35Å; L168-T171 VanDerWaalsContact O-CB 3.24Å; L168-T171 WeakPolarHBondContact O-CB 3.33Å; L168-T171 PolarHBondContact O-N 2.73Å; L168-V172 WeakPolarHBondContact O-CG2 3.25Å; L168-V172 PolarHBondContact O-N 3.26Å; L168-L203 CarbonylContact C-O 3.48Å; L168-Y204 HydrophobicContact CB-CD1 4.04Å; L168-Y204 HydrophobicContact CB-CE1 4.33Å; L168-Y204 HydrophobicContact CD2-CD1 3.83Å; L168-Y204 HydrophobicContact CD2-CG 4.32Å; L168-Y204 WeakPolarHBondContact CD2-O 3.35Å; L168-Y204 HydrophobicContact CG-CD1 4.41Å; L168-M207 VanDerWaalsContact CD2-CA 3.45Å; L168-M207 HydrophobicContact CD2-CB 3.38Å; L168-M207 HydrophobicContact CD2-CE 4Å; L168-M207 HydrophobicContact CD2-CG 3.78Å; L168-T210 HydrophobicContact CD1-CG2 4.06Å |
| 169 | P | 94.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 21% | 0.208 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 174.8 | -26.8 | 36.7 | 0 | 0 | 0 | 113.5 | L166 T171 V172 L173 L203 Y204 | L166-P169 WeakPolarHBondContact O-CD 3.44Å; P169-T171 VanDerWaalsContact C-N 3.26Å; P169-T171 PolarHBondContact O-N 2.63Å; P169-V172 PolarHBondContact O-N 3.08Å; P169-L173 WeakPolarHBondContact O-CB 3.14Å; P169-L173 PolarHBondContact O-N 2.68Å; P169-L203 WeakPolarHBondContact CA-O 3.41Å; P169-L203 HydrophobicContact CB-CB 4.18Å; P169-L203 HydrophobicContact CG-CB 4.27Å; P169-Y204 HydrophobicContact CG-CE1 4.33Å; P169-Y204 HydrophobicContact CG-CE2 4.04Å |
| 170 | L | 94.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 26.8 Ų | 26.8 | 21% | 0.209 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -33.8 | 174.5 | -69.4 | -170.6 | 0 | 0 | 0 | 111.8 | L120 R121 F167 L168 K174 | L120-L170 HydrophobicContact CB-CD1 3.72Å; L120-L170 WeakPolarHBondContact O-CD1 3.33Å; R121-L170 HydrophobicContact CB-CB 4.48Å; R121-L170 HydrophobicContact CB-CD1 4.23Å; F167-L170 HydrophobicContact CD1-CD1 3.63Å; F167-L170 HydrophobicContact CD1-CG 4.32Å; F167-L170 HydrophobicContact CE1-CD1 4Å; F167-L170 PolarHBondContact O-N 2.76Å; L168-L170 PolarHBondContact O-N 2.67Å; L170-K174 VanDerWaalsContact O-CB 3.25Å; L170-K174 WeakPolarHBondContact O-CB 3.45Å; L170-K174 PolarHBondContact O-N 3.25Å |
| 171 | T | 94.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 178.2 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | F167 L168 P169 K174 T175 | F167-T171 WeakPolarHBondContact O-CB 3.31Å; F167-T171 PolarHBondContact O-N 2.95Å; F167-T171 PolarHBondContact O-OG1 3.16Å; L168-T171 HydrophobicContact CD1-CG2 4.44Å; L168-T171 CarbonylContact O-C 3.53Å; L168-T171 WeakPolarHBondContact O-CA 3.35Å; L168-T171 VanDerWaalsContact O-CB 3.24Å; L168-T171 WeakPolarHBondContact O-CB 3.33Å; L168-T171 PolarHBondContact O-N 2.73Å; P169-T171 VanDerWaalsContact C-N 3.26Å; P169-T171 PolarHBondContact O-N 2.63Å; T171-K174 WeakPolarHBondContact O-CB 3.25Å; T171-K174 PolarHBondContact O-N 2.85Å; T171-T175 PolarHBondContact O-N 3.4Å; T171-T175 PolarHBondContact O-OG1 3.1Å |
| 172 | V | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 173.8 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L168 P169 K174 T175 H176 L194 L203 Q270 | L168-V172 WeakPolarHBondContact O-CG2 3.25Å; L168-V172 PolarHBondContact O-N 3.26Å; P169-V172 PolarHBondContact O-N 3.08Å; V172-K174 VanDerWaalsContact C-N 3.29Å; V172-K174 PolarHBondContact O-N 3.45Å; V172-T175 WeakPolarHBondContact CA-OG1 3.17Å; V172-T175 PolarHBondContact O-N 2.88Å; V172-T175 PolarHBondContact O-OG1 2.74Å; V172-H176 PolarHBondContact O-CD2 3.35Å; V172-H176 VanDerWaalsContact O-CD2 3.31Å; V172-H176 PolarHBondContact O-N 3.45Å; V172-L194 HydrophobicContact CG1-CD2 3.34Å; V172-L203 VanDerWaalsContact CG2-O 3.28Å; V172-L203 WeakPolarHBondContact CG2-O 3.47Å; V172-Q270 HydrophobicContact CG2-CB 4.45Å; V172-Q270 HydrophobicContact CG2-CG 3.96Å |
| 173 | L | 94.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.12 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 176.3 | -178.7 | 57.6 | 0 | 0 | 0 | 111.6 | P117 P169 H176 A177 L187 I190 V191 | P117-L173 HydrophobicContact CB-CD2 4.41Å; P117-L173 HydrophobicContact CB-CG 4.35Å; P169-L173 WeakPolarHBondContact O-CB 3.14Å; P169-L173 PolarHBondContact O-N 2.68Å; L173-H176 PolarHBondContact O-N 3.02Å; L173-A177 WeakPolarHBondContact O-CB 3.22Å; L173-A177 PolarHBondContact O-N 3.02Å; L173-L187 HydrophobicContact CD1-CB 4.48Å; L173-L187 HydrophobicContact CD1-CD2 3.92Å; L173-L187 HydrophobicContact CD2-CD2 4.46Å; L173-L187 HydrophobicContact CG-CD2 4.07Å; L173-I190 HydrophobicContact CD1-CB 4.01Å; L173-I190 HydrophobicContact CD1-CG2 3.61Å; L173-V191 HydrophobicContact CD1-CG2 3.63Å; L173-V191 HydrophobicContact CD2-CG2 3.83Å; L173-V191 HydrophobicContact CG-CG2 4.31Å |
| 174 | K | 95.2 | Very high | 92.5 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -53.7 | 172.9 | 175.8 | -176.3 | 177.6 | 146.7 | 0 | 110.8 | D76 P117 S118 L170 T171 V172 H176 A177 E178 | D76-K174 IonicContact OD2-NZ 3.82Å; D76-K174 PolarHBondContact OD2-NZ 2.87Å; P117-K174 HydrophobicContact CB-CB 4.09Å; P117-K174 HydrophobicContact CG-CB 4Å; S118-K174 WeakPolarHBondContact OG-CD 3.36Å; S118-K174 WeakPolarHBondContact OG-CE 3.36Å; S118-K174 PolarHBondContact OG-NZ 2.77Å; L170-K174 VanDerWaalsContact O-CB 3.25Å; L170-K174 WeakPolarHBondContact O-CB 3.45Å; L170-K174 PolarHBondContact O-N 3.25Å; T171-K174 WeakPolarHBondContact O-CB 3.25Å; T171-K174 PolarHBondContact O-N 2.85Å; V172-K174 VanDerWaalsContact C-N 3.29Å; V172-K174 PolarHBondContact O-N 3.45Å; K174-H176 VanDerWaalsContact C-N 3.27Å; K174-H176 PolarHBondContact O-N 3.02Å; K174-A177 PolarHBondContact O-N 3.44Å; K174-A177 VanDerWaalsContact O-N 3.14Å; K174-E178 WeakPolarHBondContact CE-OE1 3.18Å; K174-E178 WeakPolarHBondContact CE-OE2 3.37Å; K174-E178 HydrophobicContact CG-CG 4.39Å; K174-E178 IonicContact NZ-OE1 2.68Å; K174-E178 WeakPolarHBondContact O-CG 3.39Å; K174-E178 PolarHBondContact O-N 3.26Å |
| 175 | T | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -36.4 | -177.6 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | T171 V172 E178 S179 T267 Q270 L271 | T171-T175 PolarHBondContact O-N 3.4Å; T171-T175 PolarHBondContact O-OG1 3.1Å; V172-T175 WeakPolarHBondContact CA-OG1 3.17Å; V172-T175 PolarHBondContact O-N 2.88Å; V172-T175 PolarHBondContact O-OG1 2.74Å; T175-E178 PolarHBondContact O-N 3.43Å; T175-S179 PolarHBondContact O-N 2.98Å; T175-S179 VanDerWaalsContact O-N 3.11Å; T175-T267 HydrophobicContact CG2-CG2 4.43Å; T175-Q270 VanDerWaalsContact CG2-OE1 3.32Å; T175-L271 WeakPolarHBondContact O-CD2 3.29Å |
| 176 | H | 94.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.06 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 174.8 | -83.9 | -77.5 | 0 | 0 | 0 | 112.8 | V172 L173 K174 E178 S179 L182 I190 Q270 L271 | V172-H176 PolarHBondContact O-CD2 3.35Å; V172-H176 VanDerWaalsContact O-CD2 3.31Å; V172-H176 PolarHBondContact O-N 3.45Å; L173-H176 PolarHBondContact O-N 3.02Å; K174-H176 VanDerWaalsContact C-N 3.27Å; K174-H176 PolarHBondContact O-N 3.02Å; H176-E178 PolarHBondContact O-N 2.87Å; H176-S179 VanDerWaalsContact O-CB 3.29Å; H176-S179 WeakPolarHBondContact O-CB 3.35Å; H176-S179 PolarHBondContact O-N 2.94Å; H176-S179 VanDerWaalsContact O-N 3.09Å; H176-S179 PolarHBondContact O-OG 2.91Å; H176-L182 HydrophobicContact CB-CD1 4.06Å; H176-L182 VanDerWaalsContact ND1-CD1 3.27Å; H176-L182 WeakPolarHBondContact ND1-CD1 3.48Å; H176-I190 HydrophobicContact CB-CD1 4.43Å; H176-I190 HydrophobicContact CB-CG2 3.53Å; H176-Q270 PolarHBondContact NE2-O 3.03Å; H176-L271 PolarHBondContact CE1-O 2.86Å; H176-L271 VanDerWaalsContact CE1-O 3.3Å |
| 177 | A | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -31.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K113 L173 K174 L187 I190 | K113-A177 WeakPolarHBondContact CB-O 3.12Å; L173-A177 WeakPolarHBondContact O-CB 3.22Å; L173-A177 PolarHBondContact O-N 3.02Å; K174-A177 PolarHBondContact O-N 3.44Å; K174-A177 VanDerWaalsContact O-N 3.14Å; A177-L187 HydrophobicContact CB-CD2 3.65Å; A177-I190 HydrophobicContact CB-CD1 4.38Å |
| 178 | E | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -83.6 | -11.4 | 176 | -65.1 | 174.2 | 153.9 | 0 | 0 | 113.1 | Q73 D76 T80 R81 K174 T175 H176 | Q73-E178 PolarHBondContact NE2-OE1 2.89Å; D76-E178 WeakPolarHBondContact CB-OE1 3.11Å; T80-E178 HydrophobicContact CG2-CB 4.08Å; T80-E178 WeakPolarHBondContact CG2-OE2 3.41Å; T80-E178 WeakPolarHBondContact OG1-CB 3.4Å; T80-E178 PolarHBondContact OG1-O 3.19Å; R81-E178 VanDerWaalsContact CD-O 3.25Å; R81-E178 WeakPolarHBondContact CD-O 3.32Å; R81-E178 PolarHBondContact NE-O 3.45Å; K174-E178 WeakPolarHBondContact CE-OE1 3.18Å; K174-E178 WeakPolarHBondContact CE-OE2 3.37Å; K174-E178 HydrophobicContact CG-CG 4.39Å; K174-E178 IonicContact NZ-OE1 2.68Å; K174-E178 WeakPolarHBondContact O-CG 3.39Å; K174-E178 PolarHBondContact O-N 3.26Å; T175-E178 PolarHBondContact O-N 3.43Å; H176-E178 PolarHBondContact O-N 2.87Å |
| 179 | S | 93.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -72.3 | 155.3 | -176.6 | 79.9 | 0 | 0 | 0 | 0 | 113.5 | R81 T175 H176 L182 | R81-S179 VanDerWaalsContact CZ-O 3.31Å; R81-S179 PolarHBondContact NE-O 3.32Å; R81-S179 PolarHBondContact NH2-O 3.28Å; T175-S179 PolarHBondContact O-N 2.98Å; T175-S179 VanDerWaalsContact O-N 3.11Å; H176-S179 VanDerWaalsContact O-CB 3.29Å; H176-S179 WeakPolarHBondContact O-CB 3.35Å; H176-S179 PolarHBondContact O-N 2.94Å; H176-S179 VanDerWaalsContact O-N 3.09Å; H176-S179 PolarHBondContact O-OG 2.91Å; S179-L182 PolarHBondContact OG-N 3.05Å |
| 180 | A | 88.3 | Confident | 92 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -69 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R81 P86 L182 H183 | R81-A180 VanDerWaalsContact CD-N 3.34Å; P86-A180 HydrophobicContact CB-CB 4.23Å; P86-A180 HydrophobicContact CG-CB 4.04Å; A180-L182 VanDerWaalsContact C-N 3.35Å; A180-L182 PolarHBondContact O-N 3.2Å; A180-H183 PolarHBondContact O-CD2 2.87Å; A180-H183 PolarHBondContact O-N 2.82Å |
| 181 | Y | 86.2 | Confident | 91.9 | Very high | 107 Ų | 107 | 44 Ų | 44 | 42% | 0.42 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -32.4 | -171.8 | -50 | -80.3 | 0 | 0 | 0 | 113.4 | P85 F272 | P85-Y181 PolarHBondContact O-OH 3.02Å; Y181-F272 HydrophobicContact CD2-CE1 4.42Å; Y181-F272 HydrophobicContact CD2-CZ 4.12Å; Y181-F272 HydrophobicContact CE2-CE1 4.23Å; Y181-F272 AromaticContact CE2-CZ 3.55Å; Y181-F272 HydrophobicContact CE2-CZ 3.55Å; Y181-F272 AromaticContact CZ-CZ 3.95Å |
| 182 | L | 86.3 | Confident | 91.8 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 22.3 | -177.9 | -56.6 | -178 | 0 | 0 | 0 | 112.2 | H176 S179 A180 N184 W185 I190 | H176-L182 HydrophobicContact CB-CD1 4.06Å; H176-L182 VanDerWaalsContact ND1-CD1 3.27Å; H176-L182 WeakPolarHBondContact ND1-CD1 3.48Å; S179-L182 PolarHBondContact OG-N 3.05Å; A180-L182 VanDerWaalsContact C-N 3.35Å; A180-L182 PolarHBondContact O-N 3.2Å; L182-N184 VanDerWaalsContact C-N 3.32Å; L182-N184 PolarHBondContact O-N 2.78Å; L182-W185 HydrophobicContact CB-CB 4.3Å; L182-W185 HydrophobicContact CB-CG 4.3Å; L182-W185 HydrophobicContact CD2-CD2 3.87Å; L182-W185 HydrophobicContact CD2-CE3 4.26Å; L182-W185 HydrophobicContact CD2-CG 4.15Å; L182-W185 HydrophobicContact CD2-CZ2 4.36Å; L182-W185 WeakPolarHBondContact O-CB 3.46Å; L182-W185 PolarHBondContact O-N 3.37Å; L182-W185 VanDerWaalsContact O-N 3.08Å; L182-I190 HydrophobicContact CB-CD1 4.25Å; L182-I190 HydrophobicContact CB-CG1 4.33Å; L182-I190 HydrophobicContact CD1-CG1 4.18Å; L182-I190 HydrophobicContact CD1-CG2 4.32Å |
| 183 | H | 83.6 | Confident | 91.6 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -42.6 | -175.2 | 88.1 | 99.7 | 0 | 0 | 0 | 111.5 | R81 E106 K113 A180 W185 | R81-H183 VanDerWaalsContact NH2-CB 3.26Å; E106-H183 IonicContact OE1-CG 3.71Å; E106-H183 IonicContact OE1-ND1 3.71Å; E106-H183 VanDerWaalsContact OE2-CB 3.29Å; E106-H183 WeakPolarHBondContact OE2-CB 3.32Å; E106-H183 IonicContact OE2-CE1 3.36Å; E106-H183 IonicContact OE2-CG 3.85Å; E106-H183 VanDerWaalsContact OE2-CG 3.32Å; E106-H183 IonicContact OE2-ND1 3.23Å; E106-H183 PolarHBondContact OE2-ND1 2.95Å; K113-H183 WeakPolarHBondContact CE-O 3.33Å; K113-H183 PolarHBondContact NZ-O 3.27Å; A180-H183 PolarHBondContact O-CD2 2.87Å; A180-H183 PolarHBondContact O-N 2.82Å; H183-W185 PolarHBondContact O-N 3Å |
| 184 | N | 87.2 | Confident | 91.3 | Very high | 128 Ų | 128 | 51.9 Ų | 51.9 | 68% | 0.684 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.7 | 179.8 | -75.3 | -27.7 | 0 | 0 | 0 | 114.7 | L182 | L182-N184 VanDerWaalsContact C-N 3.32Å; L182-N184 PolarHBondContact O-N 2.78Å |
| 185 | W | 90.4 | Very high | 91 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -93.5 | 138.9 | -172 | -70.1 | 46.5 | 0 | 0 | 0 | 111.7 | L182 H183 N189 I190 V193 | L182-W185 HydrophobicContact CB-CB 4.3Å; L182-W185 HydrophobicContact CB-CG 4.3Å; L182-W185 HydrophobicContact CD2-CD2 3.87Å; L182-W185 HydrophobicContact CD2-CE3 4.26Å; L182-W185 HydrophobicContact CD2-CG 4.15Å; L182-W185 HydrophobicContact CD2-CZ2 4.36Å; L182-W185 WeakPolarHBondContact O-CB 3.46Å; L182-W185 PolarHBondContact O-N 3.37Å; L182-W185 VanDerWaalsContact O-N 3.08Å; H183-W185 PolarHBondContact O-N 3Å; W185-N189 HydrophobicContact CE3-CB 3.78Å; W185-N189 HydrophobicContact CZ3-CB 4.31Å; W185-I190 HydrophobicContact CB-CD1 4.29Å; W185-I190 HydrophobicContact CB-CG1 3.83Å; W185-V193 HydrophobicContact CH2-CG2 3.91Å; W185-V193 HydrophobicContact CZ3-CB 4.05Å; W185-V193 HydrophobicContact CZ3-CG2 3.44Å; W185-V193 VanDerWaalsContact CZ3-CG2 3.44Å |
| 186 | S | 92.5 | Very high | 90.6 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | trans | -68 | 148.4 | 167.6 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | R188 N189 I190 | S186-R188 PolarHBondContact O-N 2.79Å; S186-R188 VanDerWaalsContact O-N 3.13Å; S186-N189 WeakPolarHBondContact O-CA 3.14Å; S186-N189 WeakPolarHBondContact O-CB 3.36Å; S186-N189 PolarHBondContact O-N 3.44Å; S186-I190 PolarHBondContact O-N 3.12Å | ||
| 187 | L | 92.4 | Very high | 90 | Very high | 48 Ų | 48 | 66 Ų | 66 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53 | -36.3 | 176.9 | -66 | 175.5 | 0 | 0 | 0 | 112.4 | L116 P117 L173 A177 N189 I190 V191 | L116-L187 HydrophobicContact CB-CD1 4.26Å; L116-L187 HydrophobicContact CD2-CD1 3.81Å; L116-L187 HydrophobicContact CG-CD1 4.43Å; P117-L187 HydrophobicContact CG-CD2 4.46Å; L173-L187 HydrophobicContact CD1-CB 4.48Å; L173-L187 HydrophobicContact CD1-CD2 3.92Å; L173-L187 HydrophobicContact CD2-CD2 4.46Å; L173-L187 HydrophobicContact CG-CD2 4.07Å; A177-L187 HydrophobicContact CB-CD2 3.65Å; L187-N189 VanDerWaalsContact C-N 3.35Å; L187-N189 PolarHBondContact O-N 3.43Å; L187-I190 PolarHBondContact O-N 2.72Å; L187-V191 WeakPolarHBondContact O-CG2 3.5Å; L187-V191 PolarHBondContact O-N 2.92Å |
| 188 | R | 92.8 | Very high | 89.1 | Confident | 201 Ų | 201 | 66.3 Ų | 66.3 | 76% | 0.758 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 176.5 | -66.1 | -176.4 | -178.1 | -175.5 | 0.5 | 112 | S186 R192 | S186-R188 PolarHBondContact O-N 2.79Å; S186-R188 VanDerWaalsContact O-N 3.13Å; R188-R192 VanDerWaalsContact O-CB 3.31Å; R188-R192 WeakPolarHBondContact O-CB 3.36Å; R188-R192 PolarHBondContact O-N 3.5Å |
| 189 | N | 93.4 | Very high | 88.4 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.342 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 178.5 | -67.4 | -11.8 | 0 | 0 | 0 | 111.2 | W185 S186 L187 R192 V193 | W185-N189 HydrophobicContact CE3-CB 3.78Å; W185-N189 HydrophobicContact CZ3-CB 4.31Å; S186-N189 WeakPolarHBondContact O-CA 3.14Å; S186-N189 WeakPolarHBondContact O-CB 3.36Å; S186-N189 PolarHBondContact O-N 3.44Å; L187-N189 VanDerWaalsContact C-N 3.35Å; L187-N189 PolarHBondContact O-N 3.43Å; N189-R192 PolarHBondContact O-N 2.96Å; N189-R192 PolarHBondContact OD1-NH1 3.43Å; N189-V193 WeakPolarHBondContact O-CB 3.38Å; N189-V193 PolarHBondContact O-N 2.97Å |
| 190 | I | 92.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.3 | -56.1 | 173.1 | -64 | 176 | 0 | 0 | 0 | 109.5 | L173 H176 A177 L182 W185 S186 L187 R192 V193 L194 | L173-I190 HydrophobicContact CD1-CB 4.01Å; L173-I190 HydrophobicContact CD1-CG2 3.61Å; H176-I190 HydrophobicContact CB-CD1 4.43Å; H176-I190 HydrophobicContact CB-CG2 3.53Å; A177-I190 HydrophobicContact CB-CD1 4.38Å; L182-I190 HydrophobicContact CB-CD1 4.25Å; L182-I190 HydrophobicContact CB-CG1 4.33Å; L182-I190 HydrophobicContact CD1-CG1 4.18Å; L182-I190 HydrophobicContact CD1-CG2 4.32Å; W185-I190 HydrophobicContact CB-CD1 4.29Å; W185-I190 HydrophobicContact CB-CG1 3.83Å; S186-I190 PolarHBondContact O-N 3.12Å; L187-I190 PolarHBondContact O-N 2.72Å; I190-R192 VanDerWaalsContact C-N 3.32Å; I190-R192 PolarHBondContact O-N 3.38Å; I190-V193 PolarHBondContact O-N 3.47Å; I190-V193 VanDerWaalsContact O-N 3.13Å; I190-L194 HydrophobicContact CG2-CD1 3.4Å; I190-L194 VanDerWaalsContact CG2-CD1 3.4Å; I190-L194 WeakPolarHBondContact O-CD1 3.36Å; I190-L194 PolarHBondContact O-N 2.87Å |
| 191 | V | 91.9 | Very high | 87.8 | Confident | 49 Ų | 49 | 87.7 Ų | 87.7 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L173 L187 V193 L194 I195 | L173-V191 HydrophobicContact CD1-CG2 3.63Å; L173-V191 HydrophobicContact CD2-CG2 3.83Å; L173-V191 HydrophobicContact CG-CG2 4.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.5Å; L187-V191 PolarHBondContact O-N 2.92Å; V191-V193 VanDerWaalsContact C-N 3.34Å; V191-V193 PolarHBondContact O-N 3.37Å; V191-L194 PolarHBondContact O-N 2.98Å; V191-I195 HydrophobicContact CG1-CD1 3.7Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 WeakPolarHBondContact O-CG1 3.41Å; V191-I195 PolarHBondContact O-N 3.45Å |
| 192 | R | 92.5 | Very high | 87.9 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.6 | -48.9 | 177.8 | -172.2 | -175.7 | -66.5 | 132.7 | -3 | 110.8 | R188 N189 I190 I195 T196 | R188-R192 VanDerWaalsContact O-CB 3.31Å; R188-R192 WeakPolarHBondContact O-CB 3.36Å; R188-R192 PolarHBondContact O-N 3.5Å; N189-R192 PolarHBondContact O-N 2.96Å; N189-R192 PolarHBondContact OD1-NH1 3.43Å; I190-R192 VanDerWaalsContact C-N 3.32Å; I190-R192 PolarHBondContact O-N 3.38Å; R192-I195 PolarHBondContact O-N 3.39Å; R192-T196 WeakPolarHBondContact O-CB 3.37Å; R192-T196 PolarHBondContact O-N 3.37Å; R192-T196 PolarHBondContact O-OG1 2.85Å |
| 193 | V | 90.2 | Very high | 88.1 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | -179.7 | 161.5 | 0 | 0 | 0 | 0 | 113.2 | W185 N189 I190 V191 I195 T196 K197 | W185-V193 HydrophobicContact CH2-CG2 3.91Å; W185-V193 HydrophobicContact CZ3-CB 4.05Å; W185-V193 HydrophobicContact CZ3-CG2 3.44Å; W185-V193 VanDerWaalsContact CZ3-CG2 3.44Å; N189-V193 WeakPolarHBondContact O-CB 3.38Å; N189-V193 PolarHBondContact O-N 2.97Å; I190-V193 PolarHBondContact O-N 3.47Å; I190-V193 VanDerWaalsContact O-N 3.13Å; V191-V193 VanDerWaalsContact C-N 3.34Å; V191-V193 PolarHBondContact O-N 3.37Å; V193-I195 VanDerWaalsContact C-N 3.33Å; V193-I195 PolarHBondContact O-N 3.21Å; V193-T196 PolarHBondContact O-N 3.27Å; V193-K197 HydrophobicContact CG1-CD 3.9Å; V193-K197 HydrophobicContact CG1-CG 4.14Å; V193-K197 VanDerWaalsContact O-CB 3.31Å; V193-K197 WeakPolarHBondContact O-CB 3.4Å; V193-K197 PolarHBondContact O-N 3.11Å |
| 194 | L | 88.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 85.6 Ų | 85.6 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 173.8 | -88.5 | 98.7 | 0 | 0 | 0 | 111.5 | V172 I190 V191 G198 R199 A202 L203 | V172-L194 HydrophobicContact CG1-CD2 3.34Å; I190-L194 HydrophobicContact CG2-CD1 3.4Å; I190-L194 VanDerWaalsContact CG2-CD1 3.4Å; I190-L194 WeakPolarHBondContact O-CD1 3.36Å; I190-L194 PolarHBondContact O-N 2.87Å; V191-L194 PolarHBondContact O-N 2.98Å; L194-G198 CarbonylContact O-C 3.55Å; L194-G198 VanDerWaalsContact O-CA 3.3Å; L194-G198 WeakPolarHBondContact O-CA 3.15Å; L194-G198 PolarHBondContact O-N 2.9Å; L194-R199 PolarHBondContact O-N 3.3Å; L194-A202 HydrophobicContact CD2-CB 4.29Å; L194-L203 HydrophobicContact CB-CD2 4.23Å; L194-L203 HydrophobicContact CD2-CD2 3.96Å |
| 195 | I | 88.8 | Confident | 88.7 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70 | -43.5 | -179 | -63.9 | 170.9 | 0 | 0 | 0 | 110.8 | V191 R192 V193 R199 L203 | V191-I195 HydrophobicContact CG1-CD1 3.7Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 WeakPolarHBondContact O-CG1 3.41Å; V191-I195 PolarHBondContact O-N 3.45Å; R192-I195 PolarHBondContact O-N 3.39Å; V193-I195 VanDerWaalsContact C-N 3.33Å; V193-I195 PolarHBondContact O-N 3.21Å; I195-R199 WeakPolarHBondContact O-CA 3.35Å; I195-R199 PolarHBondContact O-N 3.28Å; I195-R199 VanDerWaalsContact O-N 3.12Å; I195-L203 HydrophobicContact CG1-CD1 4.29Å |
| 196 | T | 88.4 | Confident | 88.8 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -72.1 | -42.1 | -177.6 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | R192 V193 | R192-T196 WeakPolarHBondContact O-CB 3.37Å; R192-T196 PolarHBondContact O-N 3.37Å; R192-T196 PolarHBondContact O-OG1 2.85Å; V193-T196 PolarHBondContact O-N 3.27Å |
| 197 | K | 82.7 | Confident | 88.8 | Confident | 155 Ų | 155 | 74.8 Ų | 74.8 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -88.9 | -36.3 | -177.4 | -66.9 | -166.6 | 179.1 | -176.6 | 0 | 114.1 | V193 | V193-K197 HydrophobicContact CG1-CD 3.9Å; V193-K197 HydrophobicContact CG1-CG 4.14Å; V193-K197 VanDerWaalsContact O-CB 3.31Å; V193-K197 WeakPolarHBondContact O-CB 3.4Å; V193-K197 PolarHBondContact O-N 3.11Å |
| 198 | G | 74.1 | Confident | 88.9 | Confident | 12 Ų | 12 | 77.2 Ų | 77.2 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -113.9 | -2.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L194 A202 | L194-G198 CarbonylContact O-C 3.55Å; L194-G198 VanDerWaalsContact O-CA 3.3Å; L194-G198 WeakPolarHBondContact O-CA 3.15Å; L194-G198 PolarHBondContact O-N 2.9Å; G198-A202 PolarHBondContact O-N 3.38Å |
| 199 | R | 79.7 | Confident | 88.9 | Confident | 193 Ų | 193 | 67.7 Ų | 67.7 | 73% | 0.728 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | 58.9 | -169.2 | -172.9 | -55.1 | 169 | 69.3 | 133.9 | -1.1 | 111.3 | L194 I195 N201 A202 | L194-R199 PolarHBondContact O-N 3.3Å; I195-R199 WeakPolarHBondContact O-CA 3.35Å; I195-R199 PolarHBondContact O-N 3.28Å; I195-R199 VanDerWaalsContact O-N 3.12Å; R199-N201 PolarHBondContact O-N 2.87Å; R199-A202 PolarHBondContact O-N 2.86Å |
| 200 | F | 83.5 | Confident | 88.9 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 62% | 0.623 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.1 | -24.4 | 177.9 | -70.4 | -80.2 | 0 | 0 | 0 | 113.6 | A202 L203 | F200-A202 VanDerWaalsContact C-N 3.26Å; F200-A202 PolarHBondContact O-N 3.2Å; F200-L203 HydrophobicContact CD1-CD1 4.23Å; F200-L203 WeakPolarHBondContact O-CB 3.3Å; F200-L203 PolarHBondContact O-N 2.9Å; F200-L203 VanDerWaalsContact O-N 3.16Å |
| 201 | N | 85.5 | Confident | 88.9 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64 | -31.4 | 178.9 | -68.1 | -2.6 | 0 | 0 | 0 | 112.4 | R199 L203 Y204 A205 | R199-N201 PolarHBondContact O-N 2.87Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 3.05Å; N201-Y204 CarbonylContact O-C 3.14Å; N201-Y204 PolarHBondContact O-N 2.97Å; N201-Y204 VanDerWaalsContact O-N 3.1Å; N201-A205 PolarHBondContact O-N 3.17Å |
| 202 | A | 88.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -32 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L194 G198 R199 F200 Y204 A205 P273 | L194-A202 HydrophobicContact CD2-CB 4.29Å; G198-A202 PolarHBondContact O-N 3.38Å; R199-A202 PolarHBondContact O-N 2.86Å; F200-A202 VanDerWaalsContact C-N 3.26Å; F200-A202 PolarHBondContact O-N 3.2Å; A202-Y204 PolarHBondContact O-N 3.23Å; A202-A205 VanDerWaalsContact O-CB 3.31Å; A202-A205 WeakPolarHBondContact O-CB 3.43Å; A202-A205 PolarHBondContact O-N 3.1Å; A202-P273 HydrophobicContact CB-CB 3.99Å; A202-P273 HydrophobicContact CB-CG 3.86Å |
| 203 | L | 91 | Very high | 88.6 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.8 | 176.4 | -62.5 | 175.5 | 0 | 0 | 0 | 113 | L168 P169 V172 L194 I195 F200 N201 | L168-L203 CarbonylContact C-O 3.48Å; P169-L203 WeakPolarHBondContact CA-O 3.41Å; P169-L203 HydrophobicContact CB-CB 4.18Å; P169-L203 HydrophobicContact CG-CB 4.27Å; V172-L203 VanDerWaalsContact CG2-O 3.28Å; V172-L203 WeakPolarHBondContact CG2-O 3.47Å; L194-L203 HydrophobicContact CB-CD2 4.23Å; L194-L203 HydrophobicContact CD2-CD2 3.96Å; I195-L203 HydrophobicContact CG1-CD1 4.29Å; F200-L203 HydrophobicContact CD1-CD1 4.23Å; F200-L203 WeakPolarHBondContact O-CB 3.3Å; F200-L203 PolarHBondContact O-N 2.9Å; F200-L203 VanDerWaalsContact O-N 3.16Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 3.05Å |
| 204 | Y | 92.9 | Very high | 88.4 | Confident | 104 Ų | 104 | 61.5 Ų | 61.5 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 13.7 | 177.1 | -68.7 | -91.5 | 0 | 0 | 0 | 112.7 | M165 L168 P169 N201 A202 M207 | M165-Y204 WeakPolarHBondContact O-CE1 3.3Å; L168-Y204 HydrophobicContact CB-CD1 4.04Å; L168-Y204 HydrophobicContact CB-CE1 4.33Å; L168-Y204 HydrophobicContact CD2-CD1 3.83Å; L168-Y204 HydrophobicContact CD2-CG 4.32Å; L168-Y204 WeakPolarHBondContact CD2-O 3.35Å; L168-Y204 HydrophobicContact CG-CD1 4.41Å; P169-Y204 HydrophobicContact CG-CE1 4.33Å; P169-Y204 HydrophobicContact CG-CE2 4.04Å; N201-Y204 CarbonylContact O-C 3.14Å; N201-Y204 PolarHBondContact O-N 2.97Å; N201-Y204 VanDerWaalsContact O-N 3.1Å; A202-Y204 PolarHBondContact O-N 3.23Å; Y204-M207 HydrophobicContact CD1-CE 3.45Å; Y204-M207 VanDerWaalsContact CD1-CE 3.45Å; Y204-M207 HydrophobicContact CE1-CE 4.17Å; Y204-M207 HydrophobicContact CG-CE 4.31Å; Y204-M207 PolarHBondContact O-N 3.47Å |
| 205 | A | 91.5 | Very high | 88.1 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 140.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | N201 A202 M207 M269 Q270 P273 | N201-A205 PolarHBondContact O-N 3.17Å; A202-A205 VanDerWaalsContact O-CB 3.31Å; A202-A205 WeakPolarHBondContact O-CB 3.43Å; A202-A205 PolarHBondContact O-N 3.1Å; A205-M207 VanDerWaalsContact C-N 3.27Å; A205-M207 PolarHBondContact O-N 2.96Å; A205-M269 WeakPolarHBondContact CB-O 3.48Å; A205-Q270 VanDerWaalsContact O-CG 3.24Å; A205-Q270 WeakPolarHBondContact O-CG 3.4Å; A205-Q270 PolarHBondContact O-NE2 3.18Å; A205-P273 HydrophobicContact CB-CB 3.68Å |
| 206 | G | 92 | Very high | 87.5 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 23 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P209 T210 | G206-P209 VanDerWaalsContact O-CD 3.31Å; G206-P209 WeakPolarHBondContact O-CD 3.34Å; G206-P209 VanDerWaalsContact O-CG 3.32Å; G206-P209 WeakPolarHBondContact O-CG 3.38Å; G206-T210 WeakPolarHBondContact O-CB 3.23Å; G206-T210 PolarHBondContact O-N 3.48Å; G206-T210 PolarHBondContact O-OG1 2.91Å |
| 207 | M | 93.2 | Very high | 87.2 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -52.2 | -57.7 | 174.7 | -178.1 | -176.8 | -77.9 | 0 | 0 | 111.6 | M165 L168 Y204 A205 T210 L211 | M165-M207 HydrophobicContact CB-CE 4.38Å; M165-M207 HydrophobicContact CE-SD 4.24Å; M165-M207 HydrophobicContact CG-CE 4Å; M165-M207 HydrophobicContact CG-SD 4.05Å; L168-M207 VanDerWaalsContact CD2-CA 3.45Å; L168-M207 HydrophobicContact CD2-CB 3.38Å; L168-M207 HydrophobicContact CD2-CE 4Å; L168-M207 HydrophobicContact CD2-CG 3.78Å; Y204-M207 HydrophobicContact CD1-CE 3.45Å; Y204-M207 VanDerWaalsContact CD1-CE 3.45Å; Y204-M207 HydrophobicContact CE1-CE 4.17Å; Y204-M207 HydrophobicContact CG-CE 4.31Å; Y204-M207 PolarHBondContact O-N 3.47Å; A205-M207 VanDerWaalsContact C-N 3.27Å; A205-M207 PolarHBondContact O-N 2.96Å; M207-T210 WeakPolarHBondContact O-CA 3.44Å; M207-T210 VanDerWaalsContact O-CB 3.3Å; M207-T210 WeakPolarHBondContact O-CB 3.18Å; M207-T210 PolarHBondContact O-N 3.42Å; M207-L211 HydrophobicContact CG-CD1 3.76Å; M207-L211 HydrophobicContact CG-CG 4.21Å; M207-L211 WeakPolarHBondContact O-CG 3.38Å; M207-L211 PolarHBondContact O-N 2.87Å; M207-L211 HydrophobicContact SD-CD1 4.3Å |
| 208 | L | 93.6 | Very high | 86.9 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 52% | 0.518 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.3 | -52.6 | -176.4 | -177.4 | 62 | 0 | 0 | 0 | 113.6 | T210 L211 I212 M279 | L208-T210 PolarHBondContact O-N 2.93Å; L208-L211 PolarHBondContact O-N 3.31Å; L208-L211 VanDerWaalsContact O-N 3.15Å; L208-I212 HydrophobicContact CD1-CD1 3.86Å; L208-I212 HydrophobicContact CD1-CG1 4.18Å; L208-I212 HydrophobicContact CG-CD1 3.85Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 2.9Å; L208-M279 HydrophobicContact CD2-SD 3.87Å; L208-M279 HydrophobicContact CG-SD 3.98Å |
| 209 | P | 93.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -26.4 | 176.9 | 26.6 | -35.7 | 0 | 0 | 0 | 112.7 | G206 R213 V265 R266 M269 M279 | G206-P209 VanDerWaalsContact O-CD 3.31Å; G206-P209 WeakPolarHBondContact O-CD 3.34Å; G206-P209 VanDerWaalsContact O-CG 3.32Å; G206-P209 WeakPolarHBondContact O-CG 3.38Å; P209-R213 WeakPolarHBondContact O-CB 3.04Å; P209-R213 PolarHBondContact O-N 3.4Å; P209-R213 VanDerWaalsContact O-N 3.07Å; P209-V265 HydrophobicContact CB-CG1 4.31Å; P209-V265 HydrophobicContact CG-CG1 4.35Å; P209-R266 HydrophobicContact CB-CB 3.99Å; P209-R266 HydrophobicContact CG-CB 4.06Å; P209-M269 HydrophobicContact CG-SD 3.82Å; P209-M279 HydrophobicContact CB-CE 4.27Å; P209-M279 HydrophobicContact CB-CG 4.38Å; P209-M279 HydrophobicContact CB-SD 4.17Å; P209-M279 HydrophobicContact CG-CG 4.47Å |
| 210 | T | 93.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 170.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | L168 G206 M207 L208 R213 D214 R266 Q270 | L168-T210 HydrophobicContact CD1-CG2 4.06Å; G206-T210 WeakPolarHBondContact O-CB 3.23Å; G206-T210 PolarHBondContact O-N 3.48Å; G206-T210 PolarHBondContact O-OG1 2.91Å; M207-T210 WeakPolarHBondContact O-CA 3.44Å; M207-T210 VanDerWaalsContact O-CB 3.3Å; M207-T210 WeakPolarHBondContact O-CB 3.18Å; M207-T210 PolarHBondContact O-N 3.42Å; L208-T210 PolarHBondContact O-N 2.93Å; T210-R213 PolarHBondContact O-N 3.06Å; T210-D214 WeakPolarHBondContact CG2-OD2 3.22Å; T210-D214 WeakPolarHBondContact O-CB 3.33Å; T210-D214 PolarHBondContact O-N 3.42Å; T210-R266 WeakPolarHBondContact OG1-CD 3.34Å; T210-R266 WeakPolarHBondContact OG1-CG 3.28Å; T210-R266 PolarHBondContact OG1-NE 3.32Å; T210-R266 VanDerWaalsContact OG1-NE 3.15Å; T210-Q270 PolarHBondContact OG1-NE2 3Å |
| 211 | L | 92.1 | Very high | 87.5 | Confident | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | 179.8 | -63.2 | 172.7 | 0 | 0 | 0 | 111.9 | A161 M165 M207 L208 R213 D214 A215 P216 | A161-L211 HydrophobicContact CB-CD2 3.93Å; A161-L211 WeakPolarHBondContact O-CD2 3.48Å; M165-L211 HydrophobicContact CE-CD1 3.54Å; M165-L211 HydrophobicContact CE-CD2 4.46Å; M165-L211 HydrophobicContact CG-CD1 4.44Å; M165-L211 HydrophobicContact CG-CD2 4.23Å; M207-L211 HydrophobicContact CG-CD1 3.76Å; M207-L211 HydrophobicContact CG-CG 4.21Å; M207-L211 WeakPolarHBondContact O-CG 3.38Å; M207-L211 PolarHBondContact O-N 2.87Å; M207-L211 HydrophobicContact SD-CD1 4.3Å; L208-L211 PolarHBondContact O-N 3.31Å; L208-L211 VanDerWaalsContact O-N 3.15Å; L211-R213 PolarHBondContact O-N 2.74Å; L211-D214 PolarHBondContact O-N 3.03Å; L211-A215 VanDerWaalsContact O-CB 3.3Å; L211-A215 WeakPolarHBondContact O-CB 3.36Å; L211-A215 PolarHBondContact O-N 2.71Å; L211-P216 WeakPolarHBondContact O-CD 3.24Å |
| 212 | I | 90.7 | Very high | 87.3 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 29% | 0.292 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -30.8 | 176.9 | -65.5 | 169.9 | 0 | 0 | 0 | 111.3 | L208 P216 F262 M279 | L208-I212 HydrophobicContact CD1-CD1 3.86Å; L208-I212 HydrophobicContact CD1-CG1 4.18Å; L208-I212 HydrophobicContact CG-CD1 3.85Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 2.9Å; I212-P216 WeakPolarHBondContact O-CD 3.39Å; I212-P216 WeakPolarHBondContact O-CG 3.41Å; I212-F262 HydrophobicContact CB-CD1 4.22Å; I212-F262 HydrophobicContact CD1-CE1 4.38Å; I212-F262 HydrophobicContact CG2-CD1 3.6Å; I212-F262 HydrophobicContact CG2-CD2 4.12Å; I212-F262 HydrophobicContact CG2-CE1 3.66Å; I212-F262 HydrophobicContact CG2-CE2 4.15Å; I212-F262 HydrophobicContact CG2-CG 3.85Å; I212-F262 HydrophobicContact CG2-CZ 3.93Å; I212-M279 HydrophobicContact CD1-CE 4.1Å; I212-M279 HydrophobicContact CD1-SD 4.21Å |
| 213 | R | 87.7 | Confident | 87.3 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.5 | -48.9 | 175.4 | 179.5 | -162.1 | 69.4 | 155.1 | -2.6 | 112.2 | P209 T210 L211 Y217 F262 D263 | P209-R213 WeakPolarHBondContact O-CB 3.04Å; P209-R213 PolarHBondContact O-N 3.4Å; P209-R213 VanDerWaalsContact O-N 3.07Å; T210-R213 PolarHBondContact O-N 3.06Å; L211-R213 PolarHBondContact O-N 2.74Å; R213-Y217 WeakPolarHBondContact O-CB 3.4Å; R213-F262 HydrophobicContact CB-CB 4.32Å; R213-D263 WeakPolarHBondContact CD-OD1 3.49Å; R213-D263 HydrophobicContact CG-CB 4.37Å; R213-D263 IonicContact CZ-OD1 2.73Å; R213-D263 IonicContact NE-OD1 3.96Å; R213-D263 IonicContact NH1-OD1 2.63Å; R213-D263 PolarHBondContact NH1-OD1 3.43Å |
| 214 | D | 85.4 | Confident | 87.2 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 32% | 0.316 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -85.9 | -39.9 | -166.8 | -71.3 | -22.3 | 0 | 0 | 0 | 113.4 | T210 L211 | T210-D214 WeakPolarHBondContact CG2-OD2 3.22Å; T210-D214 WeakPolarHBondContact O-CB 3.33Å; T210-D214 PolarHBondContact O-N 3.42Å; L211-D214 PolarHBondContact O-N 3.03Å |
| 215 | A | 82.8 | Confident | 86.9 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.7 | -42.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F157 R160 L211 | F157-A215 HydrophobicContact CD2-CB 3.38Å; F157-A215 HydrophobicContact CE2-CB 3.36Å; F157-A215 HydrophobicContact CG-CB 3.99Å; F157-A215 HydrophobicContact CZ-CB 3.96Å; R160-A215 HydrophobicContact CB-CB 4.19Å; L211-A215 VanDerWaalsContact O-CB 3.3Å; L211-A215 WeakPolarHBondContact O-CB 3.36Å; L211-A215 PolarHBondContact O-N 2.71Å |
| 216 | P | 76.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -76.3 | -22.6 | 176.4 | -17.5 | 33.4 | 0 | 0 | 0 | 114.2 | F157 L211 I212 A218 G219 L220 | F157-P216 HydrophobicContact CE2-CG 4.14Å; L211-P216 WeakPolarHBondContact O-CD 3.24Å; I212-P216 WeakPolarHBondContact O-CD 3.39Å; I212-P216 WeakPolarHBondContact O-CG 3.41Å; P216-A218 VanDerWaalsContact C-N 3.34Å; P216-A218 PolarHBondContact O-N 3.16Å; P216-G219 PolarHBondContact O-N 2.99Å; P216-L220 WeakPolarHBondContact O-CB 3.47Å; P216-L220 PolarHBondContact O-N 3.43Å |
| 217 | Y | 82.3 | Confident | 86.8 | Confident | 36 Ų | 36 | 47 Ų | 47 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.2 | -46 | -167.2 | 178.8 | -90.4 | 0 | 0 | 0 | 113.5 | R213 L220 Y221 A255 K306 | R213-Y217 WeakPolarHBondContact O-CB 3.4Å; Y217-L220 PolarHBondContact O-N 3.49Å; Y217-Y221 WeakPolarHBondContact O-CB 3.39Å; Y217-Y221 PolarHBondContact O-N 3.14Å; Y217-A255 HydrophobicContact CE2-CB 4.32Å; Y217-K306 HydrophobicContact CE1-CD 4.37Å; Y217-K306 WeakPolarHBondContact OH-CD 3.23Å |
| 218 | A | 75.1 | Confident | 86.5 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 40% | 0.397 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -41.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P216 L222 | P216-A218 VanDerWaalsContact C-N 3.34Å; P216-A218 PolarHBondContact O-N 3.16Å; A218-L222 WeakPolarHBondContact O-CG 3.44Å; A218-L222 PolarHBondContact O-N 2.9Å |
| 219 | G | 80.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 44% | 0.443 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P216 L222 F223 | P216-G219 PolarHBondContact O-N 2.99Å; G219-L222 PolarHBondContact O-N 3.31Å; G219-F223 VanDerWaalsContact O-CB 3.23Å; G219-F223 WeakPolarHBondContact O-CB 3.47Å; G219-F223 PolarHBondContact O-N 3.44Å |
| 220 | L | 86.6 | Confident | 86.1 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 179.9 | -175 | 63.7 | 0 | 0 | 0 | 112 | P216 Y217 F223 L224 A255 I258 T259 | P216-L220 WeakPolarHBondContact O-CB 3.47Å; P216-L220 PolarHBondContact O-N 3.43Å; Y217-L220 PolarHBondContact O-N 3.49Å; L220-F223 PolarHBondContact O-N 3.23Å; L220-L224 HydrophobicContact CD1-CD1 4.03Å; L220-L224 HydrophobicContact CD1-CG 4.26Å; L220-L224 HydrophobicContact CG-CD1 3.94Å; L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.29Å; L220-L224 PolarHBondContact O-N 3.38Å; L220-A255 HydrophobicContact CD2-CB 3.99Å; L220-A255 HydrophobicContact CG-CB 4.02Å; L220-I258 HydrophobicContact CD1-CD1 4.03Å; L220-I258 HydrophobicContact CD2-CB 3.84Å; L220-I258 HydrophobicContact CD2-CD1 3.97Å; L220-I258 HydrophobicContact CD2-CG2 3.74Å; L220-I258 HydrophobicContact CG-CD1 4.43Å; L220-T259 HydrophobicContact CD2-CG2 4.04Å |
| 221 | Y | 83.5 | Confident | 85.9 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.2 | -51.1 | 174.6 | 172.9 | -95.9 | 0 | 0 | 0 | 111.2 | Y217 L224 Y225 S251 | Y217-Y221 WeakPolarHBondContact O-CB 3.39Å; Y217-Y221 PolarHBondContact O-N 3.14Å; Y221-L224 PolarHBondContact O-N 3.5Å; Y221-Y225 VanDerWaalsContact O-CB 3.23Å; Y221-Y225 WeakPolarHBondContact O-CB 3.39Å; Y221-Y225 PolarHBondContact O-N 3.22Å; Y221-S251 WeakPolarHBondContact CE2-OG 3.29Å |
| 222 | L | 81.6 | Confident | 85.6 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | -179.3 | -74.1 | 174.3 | 0 | 0 | 0 | 112.4 | A14 A218 G219 Y225 R226 | A14-L222 HydrophobicContact CB-CD1 3.84Å; A14-L222 HydrophobicContact CB-CD2 4Å; A218-L222 WeakPolarHBondContact O-CG 3.44Å; A218-L222 PolarHBondContact O-N 2.9Å; G219-L222 PolarHBondContact O-N 3.31Å; L222-Y225 PolarHBondContact O-N 3.28Å; L222-R226 VanDerWaalsContact O-CB 3.25Å; L222-R226 WeakPolarHBondContact O-CB 3.42Å; L222-R226 WeakPolarHBondContact O-CG 3.42Å; L222-R226 PolarHBondContact O-N 2.85Å |
| 223 | F | 87.5 | Confident | 85.5 | Confident | 132 Ų | 132 | 49.8 Ų | 49.8 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.9 | -49.2 | 177 | 173.3 | -100.5 | 0 | 0 | 0 | 111.2 | G219 L220 R226 T227 | G219-F223 VanDerWaalsContact O-CB 3.23Å; G219-F223 WeakPolarHBondContact O-CB 3.47Å; G219-F223 PolarHBondContact O-N 3.44Å; L220-F223 PolarHBondContact O-N 3.23Å; F223-R226 PolarHBondContact O-N 2.85Å; F223-T227 WeakPolarHBondContact O-CB 3.33Å; F223-T227 PolarHBondContact O-N 3.23Å; F223-T227 PolarHBondContact O-OG1 3.23Å |
| 224 | L | 89.2 | Confident | 85.5 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 178.7 | -69.3 | 170.5 | 0 | 0 | 0 | 111.4 | L220 Y221 R226 T227 Q228 A254 A255 I258 | L220-L224 HydrophobicContact CD1-CD1 4.03Å; L220-L224 HydrophobicContact CD1-CG 4.26Å; L220-L224 HydrophobicContact CG-CD1 3.94Å; L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.29Å; L220-L224 PolarHBondContact O-N 3.38Å; Y221-L224 PolarHBondContact O-N 3.5Å; L224-R226 PolarHBondContact O-N 3.42Å; L224-T227 PolarHBondContact O-N 2.98Å; L224-Q228 WeakPolarHBondContact O-CB 3.26Å; L224-Q228 WeakPolarHBondContact O-CG 3.44Å; L224-Q228 PolarHBondContact O-N 2.97Å; L224-A254 HydrophobicContact CD1-CB 3.81Å; L224-A255 HydrophobicContact CD1-CB 4.11Å; L224-I258 HydrophobicContact CD1-CD1 4.39Å |
| 225 | Y | 87.4 | Confident | 85.5 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 176.6 | 178.2 | -96.9 | 0 | 0 | 0 | 111.8 | S18 Y221 L222 Q228 L229 H244 C247 | S18-Y225 WeakPolarHBondContact CB-OH 3.44Å; S18-Y225 PolarHBondContact OG-OH 2.97Å; Y221-Y225 VanDerWaalsContact O-CB 3.23Å; Y221-Y225 WeakPolarHBondContact O-CB 3.39Å; Y221-Y225 PolarHBondContact O-N 3.22Å; L222-Y225 PolarHBondContact O-N 3.28Å; Y225-Q228 PolarHBondContact O-N 2.85Å; Y225-L229 HydrophobicContact CE1-CD2 3.9Å; Y225-L229 VanDerWaalsContact O-CB 3.26Å; Y225-L229 WeakPolarHBondContact O-CB 3.25Å; Y225-L229 PolarHBondContact O-N 3.4Å; Y225-H244 PolarHBondContact OH-ND1 2.83Å; Y225-C247 HydrophobicContact CD2-CB 3.96Å; Y225-C247 HydrophobicContact CE2-CB 3.91Å |
| 226 | R | 89.1 | Confident | 85.5 | Confident | 93 Ų | 93 | 68 Ų | 68 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 178.3 | -71.8 | -84.8 | -174 | -144.5 | -3 | 111.1 | P15 L222 F223 L224 Q228 L229 S230 | P15-R226 PolarHBondContact O-NH2 3.04Å; L222-R226 VanDerWaalsContact O-CB 3.25Å; L222-R226 WeakPolarHBondContact O-CB 3.42Å; L222-R226 WeakPolarHBondContact O-CG 3.42Å; L222-R226 PolarHBondContact O-N 2.85Å; F223-R226 PolarHBondContact O-N 2.85Å; L224-R226 PolarHBondContact O-N 3.42Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-Q228 PolarHBondContact O-N 2.84Å; R226-L229 PolarHBondContact O-N 2.76Å; R226-S230 WeakPolarHBondContact O-CB 3.42Å; R226-S230 PolarHBondContact O-N 2.77Å; R226-S230 PolarHBondContact O-OG 2.92Å; R226-S230 VanDerWaalsContact O-OG 3.11Å |
| 227 | T | 90.3 | Very high | 85.6 | Confident | 65 Ų | 65 | 75 Ų | 75 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | -180 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | F223 L224 S231 | F223-T227 WeakPolarHBondContact O-CB 3.33Å; F223-T227 PolarHBondContact O-N 3.23Å; F223-T227 PolarHBondContact O-OG1 3.23Å; L224-T227 PolarHBondContact O-N 2.98Å; T227-S231 WeakPolarHBondContact O-CB 3.48Å; T227-S231 PolarHBondContact O-N 3.46Å; T227-S231 VanDerWaalsContact O-N 3.12Å; T227-S231 PolarHBondContact O-OG 2.89Å |
| 228 | Q | 88 | Confident | 85.6 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 177 | -69.6 | 170 | 5.4 | 0 | 0 | 112 | L224 Y225 R226 S231 A232 C247 S250 | L224-Q228 WeakPolarHBondContact O-CB 3.26Å; L224-Q228 WeakPolarHBondContact O-CG 3.44Å; L224-Q228 PolarHBondContact O-N 2.97Å; Y225-Q228 PolarHBondContact O-N 2.85Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-Q228 PolarHBondContact O-N 2.84Å; Q228-S231 WeakPolarHBondContact O-CB 3.45Å; Q228-S231 PolarHBondContact O-N 3.26Å; Q228-A232 PolarHBondContact O-N 3.5Å; Q228-C247 HydrophobicContact CB-CB 4.26Å; Q228-C247 PolarHBondContact OE1-O 2.96Å; Q228-S250 PolarHBondContact OE1-OG 3.06Å |
| 229 | L | 88.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 179.7 | -178.1 | 61.1 | 0 | 0 | 0 | 111.9 | Y225 R226 S231 A232 Q233 P239 H244 | Y225-L229 HydrophobicContact CE1-CD2 3.9Å; Y225-L229 VanDerWaalsContact O-CB 3.26Å; Y225-L229 WeakPolarHBondContact O-CB 3.25Å; Y225-L229 PolarHBondContact O-N 3.4Å; R226-L229 PolarHBondContact O-N 2.76Å; L229-S231 PolarHBondContact O-N 3.39Å; L229-A232 PolarHBondContact O-N 2.86Å; L229-A232 VanDerWaalsContact O-N 3.11Å; L229-Q233 HydrophobicContact CD1-CG 4.46Å; L229-Q233 WeakPolarHBondContact O-CG 3.32Å; L229-Q233 PolarHBondContact O-N 3.19Å; L229-P239 HydrophobicContact CD1-CB 4.15Å; L229-P239 HydrophobicContact CD1-CG 4.02Å; L229-H244 WeakPolarHBondContact CD1-CE1 3.37Å |
| 230 | S | 89 | Confident | 85.9 | Confident | 67 Ų | 67 | 79 Ų | 79 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 174.8 | -65 | 0 | 0 | 0 | 0 | 111.7 | R226 | R226-S230 WeakPolarHBondContact O-CB 3.42Å; R226-S230 PolarHBondContact O-N 2.77Å; R226-S230 PolarHBondContact O-OG 2.92Å; R226-S230 VanDerWaalsContact O-OG 3.11Å |
| 231 | S | 88.7 | Confident | 85.8 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 43% | 0.427 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.1 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | T227 Q228 L229 L234 W235 | T227-S231 WeakPolarHBondContact O-CB 3.48Å; T227-S231 PolarHBondContact O-N 3.46Å; T227-S231 VanDerWaalsContact O-N 3.12Å; T227-S231 PolarHBondContact O-OG 2.89Å; Q228-S231 WeakPolarHBondContact O-CB 3.45Å; Q228-S231 PolarHBondContact O-N 3.26Å; L229-S231 PolarHBondContact O-N 3.39Å; S231-L234 WeakPolarHBondContact O-CB 3.47Å; S231-L234 PolarHBondContact O-N 3.38Å; S231-W235 VanDerWaalsContact O-CD1 3.24Å |
| 232 | A | 87.2 | Confident | 85.9 | Confident | 14 Ų | 14 | 87.1 Ų | 87.1 | 12% | 0.116 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.7 | -34.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q228 L229 L234 W235 F236 V243 | Q228-A232 PolarHBondContact O-N 3.5Å; L229-A232 PolarHBondContact O-N 2.86Å; L229-A232 VanDerWaalsContact O-N 3.11Å; A232-L234 PolarHBondContact O-N 3.22Å; A232-W235 PolarHBondContact O-N 3.35Å; A232-F236 WeakPolarHBondContact O-CD2 3.46Å; A232-F236 PolarHBondContact O-N 3.47Å; A232-V243 HydrophobicContact CB-CG1 3.73Å |
| 233 | Q | 87.8 | Confident | 86.2 | Confident | 99 Ų | 99 | 86.4 Ų | 86.4 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.9 | -21.1 | 176.6 | -76.8 | 176.2 | -40.7 | 0 | 0 | 113.4 | L229 W235 F236 P239 | L229-Q233 HydrophobicContact CD1-CG 4.46Å; L229-Q233 WeakPolarHBondContact O-CG 3.32Å; L229-Q233 PolarHBondContact O-N 3.19Å; Q233-W235 PolarHBondContact O-N 2.86Å; Q233-F236 WeakPolarHBondContact CA-O 3.34Å; Q233-P239 HydrophobicContact CG-CG 3.58Å |
| 234 | L | 88.7 | Confident | 86 | Confident | 149 Ų | 149 | 80.6 Ų | 80.6 | 78% | 0.78 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -24.9 | 170.9 | -65.6 | 168.3 | 0 | 0 | 0 | 112.3 | S231 A232 | S231-L234 WeakPolarHBondContact O-CB 3.47Å; S231-L234 PolarHBondContact O-N 3.38Å; A232-L234 PolarHBondContact O-N 3.22Å |
| 235 | W | 84.6 | Confident | 85.6 | Confident | 219 Ų | 219 | 83.1 Ų | 83.1 | 83% | 0.83 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -25.1 | -179.1 | -61.4 | 92.4 | 0 | 0 | 0 | 113.1 | S231 A232 Q233 | S231-W235 VanDerWaalsContact O-CD1 3.24Å; A232-W235 PolarHBondContact O-N 3.35Å; Q233-W235 PolarHBondContact O-N 2.86Å |
| 236 | F | 82.3 | Confident | 85.6 | Confident | 110 Ų | 110 | 84.3 Ų | 84.3 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | trans | -129.6 | 115.5 | -177.6 | -58.3 | -76.1 | 0 | 0 | 0 | 109.7 | A232 Q233 D238 V243 | A232-F236 WeakPolarHBondContact O-CD2 3.46Å; A232-F236 PolarHBondContact O-N 3.47Å; Q233-F236 WeakPolarHBondContact CA-O 3.34Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 2.87Å; F236-V243 HydrophobicContact CD2-CG2 4.43Å; F236-V243 HydrophobicContact CE2-CG2 4.46Å | ||
| 237 | E | 79.1 | Confident | 85.6 | Confident | 195 Ų | 195 | 80.5 Ų | 80.5 | 91% | 0.911 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -56.5 | -45 | 176.8 | -72.8 | -176.8 | 157.5 | 0 | 0 | 111.6 | ||
| 238 | D | 82.2 | Confident | 85.4 | Confident | 140 Ų | 140 | 77.8 Ų | 77.8 | 75% | 0.749 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -122.4 | 99.9 | 172.5 | -79.9 | -39.4 | 0 | 0 | 0 | 110.8 | F236 S240 | F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 2.87Å; D238-S240 PolarHBondContact O-N 3.4Å |
| 239 | P | 77.8 | Confident | 85.3 | Confident | 10 Ų | 10 | 79.4 Ų | 79.4 | 7% | 0.065 | 40% | 0.4 | C | S | . | . | trans | -60.2 | 123.2 | 179.4 | -22.3 | 32.1 | 0 | 0 | 0 | 111.6 | L229 Q233 V243 H244 | L229-P239 HydrophobicContact CD1-CB 4.15Å; L229-P239 HydrophobicContact CD1-CG 4.02Å; Q233-P239 HydrophobicContact CG-CG 3.58Å; P239-V243 HydrophobicContact CB-CB 4.07Å; P239-V243 HydrophobicContact CB-CG1 3.96Å; P239-H244 PolarHBondContact O-CD2 3.46Å; P239-H244 PolarHBondContact O-NE2 2.84Å | ||
| 240 | S | 85.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 81.5 Ų | 81.5 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | trans | -66.5 | 165.8 | 178.6 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | D238 W242 V243 H244 | D238-S240 PolarHBondContact O-N 3.4Å; S240-W242 PolarHBondContact O-N 3.1Å; S240-W242 VanDerWaalsContact O-N 3.14Å; S240-V243 WeakPolarHBondContact O-CB 3.17Å; S240-V243 PolarHBondContact O-N 3.44Å; S240-H244 PolarHBondContact O-CD2 3.35Å; S240-H244 PolarHBondContact O-N 3.5Å | ||
| 241 | F | 82.6 | Confident | 85.3 | Confident | 86 Ų | 86 | 78.3 Ų | 78.3 | 38% | 0.377 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -47.5 | -43.3 | 174.4 | 166 | -98.4 | 0 | 0 | 0 | 112.7 | V243 H244 F245 | F241-V243 VanDerWaalsContact C-N 3.32Å; F241-V243 PolarHBondContact O-N 3.07Å; F241-H244 PolarHBondContact O-N 2.85Å; F241-F245 WeakPolarHBondContact O-CB 3.23Å; F241-F245 PolarHBondContact O-N 3.04Å |
| 242 | W | 87 | Confident | 85.3 | Confident | 182 Ų | 182 | 76 Ų | 76 | 69% | 0.689 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.7 | -32 | -178.8 | -68 | 116 | 0 | 0 | 0 | 113.1 | S240 F245 G246 | S240-W242 PolarHBondContact O-N 3.1Å; S240-W242 VanDerWaalsContact O-N 3.14Å; W242-F245 HydrophobicContact CE3-CD1 4.29Å; W242-F245 HydrophobicContact CZ3-CD1 4.4Å; W242-G246 PolarHBondContact O-N 3.14Å |
| 243 | V | 87 | Confident | 85.5 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.2 | -48.1 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | A232 F236 P239 S240 F241 F245 G246 C247 | A232-V243 HydrophobicContact CB-CG1 3.73Å; F236-V243 HydrophobicContact CD2-CG2 4.43Å; F236-V243 HydrophobicContact CE2-CG2 4.46Å; P239-V243 HydrophobicContact CB-CB 4.07Å; P239-V243 HydrophobicContact CB-CG1 3.96Å; S240-V243 WeakPolarHBondContact O-CB 3.17Å; S240-V243 PolarHBondContact O-N 3.44Å; F241-V243 VanDerWaalsContact C-N 3.32Å; F241-V243 PolarHBondContact O-N 3.07Å; V243-F245 VanDerWaalsContact C-N 3.32Å; V243-F245 PolarHBondContact O-N 3.11Å; V243-G246 PolarHBondContact O-N 2.99Å; V243-C247 PolarHBondContact O-N 3.39Å; V243-C247 PolarHBondContact O-SG 3.37Å |
| 244 | H | 83.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.1 | -73.7 | -69.9 | 0 | 0 | 0 | 112.7 | S18 Y19 Y225 L229 P239 S240 F241 G248 | S18-H244 WeakPolarHBondContact CB-CE1 3.42Å; S18-H244 WeakPolarHBondContact CB-ND1 3.32Å; Y19-H244 AromaticContact CD2-CD2 3.49Å; Y19-H244 VanDerWaalsContact CD2-CD2 3.49Å; Y19-H244 WeakPolarHBondContact CD2-CD2 3.22Å; Y19-H244 AromaticContact CD2-NE2 3.49Å; Y19-H244 WeakPolarHBondContact CD2-NE2 3.31Å; Y19-H244 AromaticContact CE2-NE2 3.87Å; Y225-H244 PolarHBondContact OH-ND1 2.83Å; L229-H244 WeakPolarHBondContact CD1-CE1 3.37Å; P239-H244 PolarHBondContact O-CD2 3.46Å; P239-H244 PolarHBondContact O-NE2 2.84Å; S240-H244 PolarHBondContact O-CD2 3.35Å; S240-H244 PolarHBondContact O-N 3.5Å; F241-H244 PolarHBondContact O-N 2.85Å; H244-G248 PolarHBondContact O-N 3.48Å |
| 245 | F | 81.6 | Confident | 85.8 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 37% | 0.368 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.3 | -177.7 | -96.7 | 0 | 0 | 0 | 111.5 | F241 W242 V243 G248 L249 | F241-F245 WeakPolarHBondContact O-CB 3.23Å; F241-F245 PolarHBondContact O-N 3.04Å; W242-F245 HydrophobicContact CE3-CD1 4.29Å; W242-F245 HydrophobicContact CZ3-CD1 4.4Å; V243-F245 VanDerWaalsContact C-N 3.32Å; V243-F245 PolarHBondContact O-N 3.11Å; F245-G248 PolarHBondContact O-N 3.15Å; F245-L249 HydrophobicContact CE1-CD2 4.45Å; F245-L249 WeakPolarHBondContact O-CB 3.31Å; F245-L249 PolarHBondContact O-N 3.36Å |
| 246 | G | 87.4 | Confident | 86.2 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | W242 V243 L249 S250 | W242-G246 PolarHBondContact O-N 3.14Å; V243-G246 PolarHBondContact O-N 2.99Å; G246-L249 PolarHBondContact O-N 3.14Å; G246-S250 WeakPolarHBondContact O-CB 3.36Å; G246-S250 PolarHBondContact O-N 3.42Å; G246-S250 PolarHBondContact O-OG 2.95Å |
| 247 | C | 87.9 | Confident | 86.7 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.081 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 172.9 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | Y225 Q228 V243 L249 S250 S251 | Y225-C247 HydrophobicContact CD2-CB 3.96Å; Y225-C247 HydrophobicContact CE2-CB 3.91Å; Q228-C247 HydrophobicContact CB-CB 4.26Å; Q228-C247 PolarHBondContact OE1-O 2.96Å; V243-C247 PolarHBondContact O-N 3.39Å; V243-C247 PolarHBondContact O-SG 3.37Å; C247-L249 PolarHBondContact O-N 3.15Å; C247-S250 PolarHBondContact O-OG 3.43Å; C247-S251 WeakPolarHBondContact O-CB 3.38Å; C247-S251 PolarHBondContact O-N 2.84Å; C247-S251 PolarHBondContact O-OG 3.2Å |
| 248 | G | 85.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H244 F245 S251 G252 | H244-G248 PolarHBondContact O-N 3.48Å; F245-G248 PolarHBondContact O-N 3.15Å; G248-S251 PolarHBondContact O-OG 2.81Å; G248-S251 VanDerWaalsContact O-OG 3.05Å; G248-G252 PolarHBondContact O-N 2.91Å |
| 249 | L | 86.3 | Confident | 87.8 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 45% | 0.45 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.3 | -47.7 | -180 | -173.3 | 65 | 0 | 0 | 0 | 111.8 | F245 G246 C247 G252 F253 | F245-L249 HydrophobicContact CE1-CD2 4.45Å; F245-L249 WeakPolarHBondContact O-CB 3.31Å; F245-L249 PolarHBondContact O-N 3.36Å; G246-L249 PolarHBondContact O-N 3.14Å; C247-L249 PolarHBondContact O-N 3.15Å; L249-G252 PolarHBondContact O-N 3.27Å; L249-F253 WeakPolarHBondContact O-CB 3.42Å; L249-F253 PolarHBondContact O-N 3.23Å |
| 250 | S | 90.2 | Very high | 88.6 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 37% | 0.371 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.3 | -38.9 | -177.9 | 60 | 0 | 0 | 0 | 0 | 112.6 | Q228 G246 C247 F253 A254 | Q228-S250 PolarHBondContact OE1-OG 3.06Å; G246-S250 WeakPolarHBondContact O-CB 3.36Å; G246-S250 PolarHBondContact O-N 3.42Å; G246-S250 PolarHBondContact O-OG 2.95Å; C247-S250 PolarHBondContact O-OG 3.43Å; S250-F253 PolarHBondContact O-N 2.91Å; S250-A254 WeakPolarHBondContact O-CB 3.44Å; S250-A254 PolarHBondContact O-N 2.84Å |
| 251 | S | 88.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 171.1 | 60 | 0 | 0 | 0 | 0 | 112.3 | Y221 C247 G248 F253 A254 A255 | Y221-S251 WeakPolarHBondContact CE2-OG 3.29Å; C247-S251 WeakPolarHBondContact O-CB 3.38Å; C247-S251 PolarHBondContact O-N 2.84Å; C247-S251 PolarHBondContact O-OG 3.2Å; G248-S251 PolarHBondContact O-OG 2.81Å; G248-S251 VanDerWaalsContact O-OG 3.05Å; S251-F253 PolarHBondContact O-N 3.12Å; S251-A254 PolarHBondContact O-N 3.25Å; S251-A255 WeakPolarHBondContact O-CB 3.41Å; S251-A255 PolarHBondContact O-N 3.35Å |
| 252 | G | 87.7 | Confident | 89.6 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G248 L249 C256 | G248-G252 PolarHBondContact O-N 2.91Å; L249-G252 PolarHBondContact O-N 3.27Å; G252-C256 WeakPolarHBondContact O-CB 3.09Å; G252-C256 PolarHBondContact O-N 3.46Å; G252-C256 PolarHBondContact O-SG 3.34Å |
| 253 | F | 92.1 | Very high | 89.9 | Confident | 100 Ų | 100 | 34 Ų | 34 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.3 | -52.3 | 174.7 | -175.4 | -81.8 | 0 | 0 | 0 | 111.7 | L249 S250 S251 A255 C256 L257 F299 V303 | L249-F253 WeakPolarHBondContact O-CB 3.42Å; L249-F253 PolarHBondContact O-N 3.23Å; S250-F253 PolarHBondContact O-N 2.91Å; S251-F253 PolarHBondContact O-N 3.12Å; F253-A255 PolarHBondContact O-N 3.39Å; F253-C256 WeakPolarHBondContact O-CB 3.3Å; F253-C256 PolarHBondContact O-N 2.99Å; F253-L257 HydrophobicContact CE1-CD2 4.45Å; F253-L257 WeakPolarHBondContact O-CB 3.25Å; F253-L257 PolarHBondContact O-N 3.44Å; F253-F299 HydrophobicContact CD1-CZ 4.13Å; F253-F299 AromaticContact CD2-CE1 3.97Å; F253-F299 HydrophobicContact CD2-CE1 3.97Å; F253-F299 AromaticContact CD2-CZ 3.71Å; F253-F299 HydrophobicContact CD2-CZ 3.71Å; F253-F299 HydrophobicContact CE1-CE1 4.28Å; F253-F299 AromaticContact CE1-CZ 3.9Å; F253-F299 HydrophobicContact CE1-CZ 3.9Å; F253-F299 AromaticContact CE2-CE1 3.33Å; F253-F299 HydrophobicContact CE2-CE1 3.33Å; F253-F299 AromaticContact CE2-CZ 3.49Å; F253-F299 HydrophobicContact CE2-CZ 3.49Å; F253-F299 VanDerWaalsContact CE2-CZ 3.49Å; F253-F299 HydrophobicContact CG-CZ 4.03Å; F253-F299 AromaticContact CZ-CE1 3.5Å; F253-F299 HydrophobicContact CZ-CE1 3.5Å; F253-F299 AromaticContact CZ-CZ 3.57Å; F253-F299 HydrophobicContact CZ-CZ 3.57Å; F253-V303 HydrophobicContact CD2-CG1 4.43Å; F253-V303 HydrophobicContact CD2-CG2 4.37Å |
| 254 | A | 93.2 | Very high | 90.3 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 22% | 0.223 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L224 S250 S251 C256 L257 I258 | L224-A254 HydrophobicContact CD1-CB 3.81Å; S250-A254 WeakPolarHBondContact O-CB 3.44Å; S250-A254 PolarHBondContact O-N 2.84Å; S251-A254 PolarHBondContact O-N 3.25Å; A254-C256 VanDerWaalsContact C-N 3.33Å; A254-C256 PolarHBondContact O-N 2.95Å; A254-L257 WeakPolarHBondContact O-CB 3.45Å; A254-L257 PolarHBondContact O-N 3.18Å; A254-L257 VanDerWaalsContact O-N 3.16Å; A254-I258 WeakPolarHBondContact O-CG1 3.39Å; A254-I258 PolarHBondContact O-N 2.87Å |
| 255 | A | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y217 L220 L224 S251 F253 L257 T259 | Y217-A255 HydrophobicContact CE2-CB 4.32Å; L220-A255 HydrophobicContact CD2-CB 3.99Å; L220-A255 HydrophobicContact CG-CB 4.02Å; L224-A255 HydrophobicContact CD1-CB 4.11Å; S251-A255 WeakPolarHBondContact O-CB 3.41Å; S251-A255 PolarHBondContact O-N 3.35Å; F253-A255 PolarHBondContact O-N 3.39Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-T259 WeakPolarHBondContact O-CB 3.18Å; A255-T259 WeakPolarHBondContact O-CG2 2.88Å; A255-T259 PolarHBondContact O-N 2.98Å; A255-T259 PolarHBondContact O-OG1 3.39Å |
| 256 | C | 91.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 173.4 | -74 | 0 | 0 | 0 | 0 | 111.3 | G252 F253 A254 T259 Q260 F299 V303 | G252-C256 WeakPolarHBondContact O-CB 3.09Å; G252-C256 PolarHBondContact O-N 3.46Å; G252-C256 PolarHBondContact O-SG 3.34Å; F253-C256 WeakPolarHBondContact O-CB 3.3Å; F253-C256 PolarHBondContact O-N 2.99Å; A254-C256 VanDerWaalsContact C-N 3.33Å; A254-C256 PolarHBondContact O-N 2.95Å; C256-T259 CarbonylContact O-C 3.58Å; C256-T259 PolarHBondContact O-N 2.8Å; C256-T259 PolarHBondContact O-OG1 3.4Å; C256-Q260 WeakPolarHBondContact O-CA 3.37Å; C256-Q260 VanDerWaalsContact O-CB 3.25Å; C256-Q260 WeakPolarHBondContact O-CB 3.37Å; C256-Q260 PolarHBondContact O-N 3.45Å; C256-F299 HydrophobicContact CB-CD2 4.33Å; C256-F299 HydrophobicContact CB-CE2 3.67Å; C256-V303 HydrophobicContact CB-CG2 4Å |
| 257 | L | 93.6 | Very high | 91.8 | Very high | 71 Ų | 71 | 27.3 Ų | 27.3 | 37% | 0.372 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.5 | -47.2 | -177.4 | -172.3 | 65.5 | 0 | 0 | 0 | 111.2 | F253 A254 A255 T259 Q260 P261 L296 F299 | F253-L257 HydrophobicContact CE1-CD2 4.45Å; F253-L257 WeakPolarHBondContact O-CB 3.25Å; F253-L257 PolarHBondContact O-N 3.44Å; A254-L257 WeakPolarHBondContact O-CB 3.45Å; A254-L257 PolarHBondContact O-N 3.18Å; A254-L257 VanDerWaalsContact O-N 3.16Å; A255-L257 VanDerWaalsContact C-N 3.34Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 3.27Å; L257-Q260 WeakPolarHBondContact O-CB 3.17Å; L257-Q260 PolarHBondContact O-N 3.45Å; L257-P261 WeakPolarHBondContact O-CD 3.23Å; L257-L296 HydrophobicContact CD1-CD1 4.47Å; L257-L296 HydrophobicContact CD1-CD2 3.71Å; L257-F299 HydrophobicContact CB-CE2 4.04Å; L257-F299 HydrophobicContact CB-CZ 4.37Å; L257-F299 HydrophobicContact CD1-CE2 4.2Å; L257-F299 HydrophobicContact CD1-CZ 4.36Å |
| 258 | I | 92.8 | Very high | 92.1 | Very high | 90 Ų | 90 | 27.7 Ų | 27.7 | 46% | 0.462 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 177.6 | -68.4 | 165.9 | 0 | 0 | 0 | 111.4 | L220 L224 A254 | L220-I258 HydrophobicContact CD1-CD1 4.03Å; L220-I258 HydrophobicContact CD2-CB 3.84Å; L220-I258 HydrophobicContact CD2-CD1 3.97Å; L220-I258 HydrophobicContact CD2-CG2 3.74Å; L220-I258 HydrophobicContact CG-CD1 4.43Å; L224-I258 HydrophobicContact CD1-CD1 4.39Å; A254-I258 WeakPolarHBondContact O-CG1 3.39Å; A254-I258 PolarHBondContact O-N 2.87Å |
| 259 | T | 92.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2 | -177.1 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | L220 A255 C256 L257 D263 R302 | L220-T259 HydrophobicContact CD2-CG2 4.04Å; A255-T259 WeakPolarHBondContact O-CB 3.18Å; A255-T259 WeakPolarHBondContact O-CG2 2.88Å; A255-T259 PolarHBondContact O-N 2.98Å; A255-T259 PolarHBondContact O-OG1 3.39Å; C256-T259 CarbonylContact O-C 3.58Å; C256-T259 PolarHBondContact O-N 2.8Å; C256-T259 PolarHBondContact O-OG1 3.4Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 3.27Å; T259-D263 PolarHBondContact O-N 3.32Å; T259-R302 VanDerWaalsContact C-NH1 3.33Å; T259-R302 PolarHBondContact O-NH1 2.95Å; T259-R302 PolarHBondContact OG1-NH2 2.85Å |
| 260 | Q | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.3 | -44.6 | -177.7 | -173.3 | 63.1 | 11.6 | 0 | 0 | 113.7 | C256 L257 F262 D263 M264 L295 L296 T297 F299 | C256-Q260 WeakPolarHBondContact O-CA 3.37Å; C256-Q260 VanDerWaalsContact O-CB 3.25Å; C256-Q260 WeakPolarHBondContact O-CB 3.37Å; C256-Q260 PolarHBondContact O-N 3.45Å; L257-Q260 WeakPolarHBondContact O-CB 3.17Å; L257-Q260 PolarHBondContact O-N 3.45Å; Q260-F262 VanDerWaalsContact C-N 3.26Å; Q260-F262 PolarHBondContact O-N 3.49Å; Q260-D263 WeakPolarHBondContact O-CA 3.2Å; Q260-D263 WeakPolarHBondContact O-CB 3.37Å; Q260-D263 PolarHBondContact O-N 3.43Å; Q260-M264 PolarHBondContact O-N 3.43Å; Q260-L295 WeakPolarHBondContact CG-O 3.22Å; Q260-L296 HydrophobicContact CB-CD2 4.28Å; Q260-L296 HydrophobicContact CG-CD2 4.16Å; Q260-T297 PolarHBondContact NE2-O 2.92Å; Q260-F299 HydrophobicContact CB-CD2 4.24Å; Q260-F299 HydrophobicContact CG-CB 4.1Å; Q260-F299 HydrophobicContact CG-CD2 4.14Å |
| 261 | P | 94.8 | Very high | 93 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 179 | -26.3 | 35.9 | 0 | 0 | 0 | 112.8 | L257 D263 M264 V265 F283 L295 | L257-P261 WeakPolarHBondContact O-CD 3.23Å; P261-D263 VanDerWaalsContact C-N 3.29Å; P261-D263 PolarHBondContact O-N 3.45Å; P261-M264 PolarHBondContact O-N 3.35Å; P261-V265 WeakPolarHBondContact O-CG2 3.49Å; P261-V265 PolarHBondContact O-N 2.85Å; P261-F283 HydrophobicContact CB-CE2 4.29Å; P261-L295 HydrophobicContact CB-CB 4.31Å; P261-L295 HydrophobicContact CB-CD1 4.36Å; P261-L295 HydrophobicContact CB-CD2 4.41Å |
| 262 | F | 94.2 | Very high | 93 | Very high | 65 Ų | 65 | 24.7 Ų | 24.7 | 29% | 0.285 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 176.2 | -60.3 | -76.3 | 0 | 0 | 0 | 112.5 | I212 R213 Q260 R266 M279 | I212-F262 HydrophobicContact CB-CD1 4.22Å; I212-F262 HydrophobicContact CD1-CE1 4.38Å; I212-F262 HydrophobicContact CG2-CD1 3.6Å; I212-F262 HydrophobicContact CG2-CD2 4.12Å; I212-F262 HydrophobicContact CG2-CE1 3.66Å; I212-F262 HydrophobicContact CG2-CE2 4.15Å; I212-F262 HydrophobicContact CG2-CG 3.85Å; I212-F262 HydrophobicContact CG2-CZ 3.93Å; R213-F262 HydrophobicContact CB-CB 4.32Å; Q260-F262 VanDerWaalsContact C-N 3.26Å; Q260-F262 PolarHBondContact O-N 3.49Å; F262-R266 WeakPolarHBondContact O-CB 3.25Å; F262-R266 PolarHBondContact O-N 3Å; F262-M279 HydrophobicContact CD1-CE 3.25Å; F262-M279 HydrophobicContact CE1-CE 3.35Å |
| 263 | D | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.5 | -40 | 177.3 | -175.4 | 89.4 | 0 | 0 | 0 | 112 | K79 Q83 R213 T259 Q260 P261 R266 T267 R302 | K79-D263 WeakPolarHBondContact CE-OD2 3.35Å; K79-D263 IonicContact NZ-OD1 3.5Å; K79-D263 PolarHBondContact NZ-OD1 2.87Å; K79-D263 IonicContact NZ-OD2 2.78Å; K79-D263 PolarHBondContact NZ-OD2 3.49Å; Q83-D263 PolarHBondContact NE2-OD2 3.08Å; R213-D263 WeakPolarHBondContact CD-OD1 3.49Å; R213-D263 HydrophobicContact CG-CB 4.37Å; R213-D263 IonicContact CZ-OD1 2.73Å; R213-D263 IonicContact NE-OD1 3.96Å; R213-D263 IonicContact NH1-OD1 2.63Å; R213-D263 PolarHBondContact NH1-OD1 3.43Å; T259-D263 PolarHBondContact O-N 3.32Å; Q260-D263 WeakPolarHBondContact O-CA 3.2Å; Q260-D263 WeakPolarHBondContact O-CB 3.37Å; Q260-D263 PolarHBondContact O-N 3.43Å; P261-D263 VanDerWaalsContact C-N 3.29Å; P261-D263 PolarHBondContact O-N 3.45Å; D263-R266 WeakPolarHBondContact O-CB 3.42Å; D263-R266 PolarHBondContact O-N 3.02Å; D263-R266 IonicContact OD1-NH1 3.83Å; D263-T267 WeakPolarHBondContact O-CG2 3.04Å; D263-T267 PolarHBondContact O-N 3.19Å; D263-T267 PolarHBondContact O-OG1 3.45Å; D263-R302 VanDerWaalsContact CB-NH1 3.34Å |
| 264 | M | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 171.7 | 177.1 | 57.4 | 113.6 | 0 | 0 | 111.6 | Q83 Q260 P261 R266 T267 Q268 T286 L294 L295 | Q83-M264 HydrophobicContact CB-CE 4.16Å; Q83-M264 HydrophobicContact CB-SD 3.75Å; Q83-M264 HydrophobicContact CG-CE 4.11Å; Q83-M264 HydrophobicContact CG-SD 3.81Å; Q260-M264 PolarHBondContact O-N 3.43Å; P261-M264 PolarHBondContact O-N 3.35Å; M264-R266 VanDerWaalsContact C-N 3.3Å; M264-R266 PolarHBondContact O-N 3.49Å; M264-T267 PolarHBondContact O-N 2.91Å; M264-T267 PolarHBondContact O-OG1 3.34Å; M264-T267 VanDerWaalsContact O-OG1 3.05Å; M264-Q268 WeakPolarHBondContact O-CG 3.26Å; M264-Q268 PolarHBondContact O-N 3Å; M264-Q268 HydrophobicContact SD-CG 4.06Å; M264-T286 HydrophobicContact CG-CG2 4.09Å; M264-L294 HydrophobicContact CE-CD1 3.7Å; M264-L294 HydrophobicContact CE-CG 4.26Å; M264-L294 WeakPolarHBondContact CE-O 3.4Å; M264-L295 HydrophobicContact CB-CD2 4.42Å; M264-L295 HydrophobicContact CG-CD2 4.27Å |
| 265 | V | 95.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.6 | 173 | 0 | 0 | 0 | 0 | 111.4 | P209 P261 Q268 M269 M279 T282 F283 L295 | P209-V265 HydrophobicContact CB-CG1 4.31Å; P209-V265 HydrophobicContact CG-CG1 4.35Å; P261-V265 WeakPolarHBondContact O-CG2 3.49Å; P261-V265 PolarHBondContact O-N 2.85Å; V265-Q268 PolarHBondContact O-N 2.87Å; V265-M269 HydrophobicContact CG1-CG 4.24Å; V265-M269 HydrophobicContact CG1-SD 3.89Å; V265-M269 WeakPolarHBondContact O-CB 3.36Å; V265-M269 VanDerWaalsContact O-CG 3.27Å; V265-M269 WeakPolarHBondContact O-CG 3.49Å; V265-M269 PolarHBondContact O-N 2.96Å; V265-M279 HydrophobicContact CG1-CB 4.4Å; V265-M279 HydrophobicContact CG1-CG 3.71Å; V265-T282 HydrophobicContact CG1-CG2 4Å; V265-F283 HydrophobicContact CG2-CB 3.96Å; V265-F283 HydrophobicContact CG2-CD2 3.92Å; V265-F283 HydrophobicContact CG2-CG 4.45Å; V265-L295 HydrophobicContact CG2-CD2 4.38Å |
| 266 | R | 94.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 6% | 0.057 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | 173.7 | 165.7 | -177.3 | 173 | -92 | -6.7 | 111.2 | P209 T210 F262 D263 M264 Q268 M269 Q270 | P209-R266 HydrophobicContact CB-CB 3.99Å; P209-R266 HydrophobicContact CG-CB 4.06Å; T210-R266 WeakPolarHBondContact OG1-CD 3.34Å; T210-R266 WeakPolarHBondContact OG1-CG 3.28Å; T210-R266 PolarHBondContact OG1-NE 3.32Å; T210-R266 VanDerWaalsContact OG1-NE 3.15Å; F262-R266 WeakPolarHBondContact O-CB 3.25Å; F262-R266 PolarHBondContact O-N 3Å; D263-R266 WeakPolarHBondContact O-CB 3.42Å; D263-R266 PolarHBondContact O-N 3.02Å; D263-R266 IonicContact OD1-NH1 3.83Å; M264-R266 VanDerWaalsContact C-N 3.3Å; M264-R266 PolarHBondContact O-N 3.49Å; R266-Q268 VanDerWaalsContact C-N 3.35Å; R266-Q268 PolarHBondContact O-N 3.44Å; R266-M269 PolarHBondContact O-N 2.89Å; R266-Q270 HydrophobicContact CG-CG 4.3Å; R266-Q270 VanDerWaalsContact CZ-OE1 3.3Å; R266-Q270 WeakPolarHBondContact O-CB 3.41Å; R266-Q270 WeakPolarHBondContact O-CG 3.23Å; R266-Q270 PolarHBondContact O-N 3.46Å |
| 267 | T | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -37.2 | -175.5 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | Q83 T175 D263 M264 Q270 L271 | Q83-T267 PolarHBondContact OE1-OG1 2.96Å; T175-T267 HydrophobicContact CG2-CG2 4.43Å; D263-T267 WeakPolarHBondContact O-CG2 3.04Å; D263-T267 PolarHBondContact O-N 3.19Å; D263-T267 PolarHBondContact O-OG1 3.45Å; M264-T267 PolarHBondContact O-N 2.91Å; M264-T267 PolarHBondContact O-OG1 3.34Å; M264-T267 VanDerWaalsContact O-OG1 3.05Å; T267-Q270 PolarHBondContact O-N 2.87Å; T267-L271 WeakPolarHBondContact O-CB 3.43Å; T267-L271 VanDerWaalsContact O-CG 3.26Å; T267-L271 WeakPolarHBondContact O-CG 3.46Å; T267-L271 PolarHBondContact O-N 3.38Å |
| 268 | Q | 94.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 172.3 | -67.7 | -59.5 | -31.5 | 0 | 0 | 112.5 | Q83 S84 M264 V265 R266 Q270 L271 F272 T282 | Q83-Q268 PolarHBondContact O-NE2 3.2Å; S84-Q268 PolarHBondContact OG-NE2 3.12Å; M264-Q268 WeakPolarHBondContact O-CG 3.26Å; M264-Q268 PolarHBondContact O-N 3Å; M264-Q268 HydrophobicContact SD-CG 4.06Å; V265-Q268 PolarHBondContact O-N 2.87Å; R266-Q268 VanDerWaalsContact C-N 3.35Å; R266-Q268 PolarHBondContact O-N 3.44Å; Q268-Q270 VanDerWaalsContact C-N 3.32Å; Q268-Q270 PolarHBondContact O-N 2.86Å; Q268-L271 PolarHBondContact O-N 2.83Å; Q268-F272 PolarHBondContact O-N 2.61Å; Q268-T282 HydrophobicContact CB-CG2 3.65Å |
| 269 | M | 94.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 177 | -70.3 | -177.1 | 74.9 | 0 | 0 | 112.5 | A205 P209 V265 R266 P273 H276 M279 T282 | A205-M269 WeakPolarHBondContact CB-O 3.48Å; P209-M269 HydrophobicContact CG-SD 3.82Å; V265-M269 HydrophobicContact CG1-CG 4.24Å; V265-M269 HydrophobicContact CG1-SD 3.89Å; V265-M269 WeakPolarHBondContact O-CB 3.36Å; V265-M269 VanDerWaalsContact O-CG 3.27Å; V265-M269 WeakPolarHBondContact O-CG 3.49Å; V265-M269 PolarHBondContact O-N 2.96Å; R266-M269 PolarHBondContact O-N 2.89Å; M269-P273 WeakPolarHBondContact O-CA 3.29Å; M269-H276 HydrophobicContact CB-CB 4.46Å; M269-H276 HydrophobicContact CG-CB 4.02Å; M269-M279 VanDerWaalsContact SD-CA 3.59Å; M269-M279 HydrophobicContact SD-CB 3.99Å; M269-T282 HydrophobicContact CG-CG2 4.01Å; M269-T282 WeakPolarHBondContact CG-OG1 3.25Å |
| 270 | Q | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.3 | -37 | -179.2 | -72.3 | -176.1 | -28.5 | 0 | 0 | 112.4 | V172 T175 H176 A205 T210 R266 T267 Q268 | V172-Q270 HydrophobicContact CG2-CB 4.45Å; V172-Q270 HydrophobicContact CG2-CG 3.96Å; T175-Q270 VanDerWaalsContact CG2-OE1 3.32Å; H176-Q270 PolarHBondContact NE2-O 3.03Å; A205-Q270 VanDerWaalsContact O-CG 3.24Å; A205-Q270 WeakPolarHBondContact O-CG 3.4Å; A205-Q270 PolarHBondContact O-NE2 3.18Å; T210-Q270 PolarHBondContact OG1-NE2 3Å; R266-Q270 HydrophobicContact CG-CG 4.3Å; R266-Q270 VanDerWaalsContact CZ-OE1 3.3Å; R266-Q270 WeakPolarHBondContact O-CB 3.41Å; R266-Q270 WeakPolarHBondContact O-CG 3.23Å; R266-Q270 PolarHBondContact O-N 3.46Å; T267-Q270 PolarHBondContact O-N 2.87Å; Q268-Q270 VanDerWaalsContact C-N 3.32Å; Q268-Q270 PolarHBondContact O-N 2.86Å |
| 271 | L | 92.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -77.5 | -36.4 | 179.2 | -71.2 | 171.1 | 0 | 0 | 0 | 112.9 | S84 T175 H176 T267 Q268 P273 | S84-L271 VanDerWaalsContact OG-CD1 3.24Å; S84-L271 WeakPolarHBondContact OG-CD1 3.49Å; T175-L271 WeakPolarHBondContact O-CD2 3.29Å; H176-L271 PolarHBondContact CE1-O 2.86Å; H176-L271 VanDerWaalsContact CE1-O 3.3Å; T267-L271 WeakPolarHBondContact O-CB 3.43Å; T267-L271 VanDerWaalsContact O-CG 3.26Å; T267-L271 WeakPolarHBondContact O-CG 3.46Å; T267-L271 PolarHBondContact O-N 3.38Å; Q268-L271 PolarHBondContact O-N 2.83Å; L271-P273 WeakPolarHBondContact O-CD 3.32Å |
| 272 | F | 90.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 26% | 0.263 | 22% | 0.224 | S | C | . | . | trans | -124.7 | 62 | -176.3 | -49.9 | -71.6 | 0 | 0 | 0 | 111.6 | Y181 Q268 N274 V275 H276 | Y181-F272 HydrophobicContact CD2-CE1 4.42Å; Y181-F272 HydrophobicContact CD2-CZ 4.12Å; Y181-F272 HydrophobicContact CE2-CE1 4.23Å; Y181-F272 AromaticContact CE2-CZ 3.55Å; Y181-F272 HydrophobicContact CE2-CZ 3.55Å; Y181-F272 AromaticContact CZ-CZ 3.95Å; Q268-F272 PolarHBondContact O-N 2.61Å; F272-N274 PolarHBondContact O-N 3.22Å; F272-N274 VanDerWaalsContact O-N 3.11Å; F272-V275 HydrophobicContact CB-CB 4.05Å; F272-V275 HydrophobicContact CB-CG2 4.22Å; F272-V275 PolarHBondContact O-N 3.47Å; F272-H276 PolarHBondContact O-N 3.25Å | ||
| 273 | P | 86.2 | Confident | 91.6 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.8 | -174.3 | 24.6 | -35.1 | 0 | 0 | 0 | 113.2 | A202 A205 M269 L271 | A202-P273 HydrophobicContact CB-CB 3.99Å; A202-P273 HydrophobicContact CB-CG 3.86Å; A205-P273 HydrophobicContact CB-CB 3.68Å; M269-P273 WeakPolarHBondContact O-CA 3.29Å; L271-P273 WeakPolarHBondContact O-CD 3.32Å |
| 274 | N | 84.7 | Confident | 91.7 | Very high | 104 Ų | 104 | 50 Ų | 50 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.7 | 179.5 | -63.7 | -14.8 | 0 | 0 | 0 | 113.2 | F272 | F272-N274 PolarHBondContact O-N 3.22Å; F272-N274 VanDerWaalsContact O-N 3.11Å |
| 275 | V | 85.9 | Confident | 91.6 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -39.6 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | F272 | F272-V275 HydrophobicContact CB-CB 4.05Å; F272-V275 HydrophobicContact CB-CG2 4.22Å; F272-V275 PolarHBondContact O-N 3.47Å |
| 276 | H | 86.4 | Confident | 91.5 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -111.7 | 70.8 | -170.2 | -72.5 | -43.8 | 0 | 0 | 0 | 111.2 | M269 F272 T282 | M269-H276 HydrophobicContact CB-CB 4.46Å; M269-H276 HydrophobicContact CG-CB 4.02Å; F272-H276 PolarHBondContact O-N 3.25Å; H276-T282 HydrophobicContact CB-CG2 4.09Å; H276-T282 VanDerWaalsContact CB-OG1 3.25Å; H276-T282 WeakPolarHBondContact CB-OG1 3.21Å; H276-T282 PolarHBondContact ND1-OG1 2.86Å | ||
| 277 | T | 83.3 | Confident | 91.5 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 69% | 0.693 | 27% | 0.27 | S | S | * | . | trans | -74.4 | -33.5 | -177.6 | 57 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 278 | S | 90.9 | Very high | 91.4 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | trans | -121.4 | 140 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 112 | R280 T281 T282 | S278-R280 VanDerWaalsContact C-N 3.33Å; S278-R280 PolarHBondContact O-N 2.9Å; S278-T281 PolarHBondContact O-N 3.48Å; S278-T282 WeakPolarHBondContact O-CB 3.34Å; S278-T282 PolarHBondContact O-N 3.49Å; S278-T282 PolarHBondContact O-OG1 3.39Å | ||
| 279 | M | 92.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 68.3 Ų | 68.3 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 177.8 | -177 | -174.7 | 169.1 | 0 | 0 | 112.2 | L208 P209 I212 F262 V265 M269 T282 F283 | L208-M279 HydrophobicContact CD2-SD 3.87Å; L208-M279 HydrophobicContact CG-SD 3.98Å; P209-M279 HydrophobicContact CB-CE 4.27Å; P209-M279 HydrophobicContact CB-CG 4.38Å; P209-M279 HydrophobicContact CB-SD 4.17Å; P209-M279 HydrophobicContact CG-CG 4.47Å; I212-M279 HydrophobicContact CD1-CE 4.1Å; I212-M279 HydrophobicContact CD1-SD 4.21Å; F262-M279 HydrophobicContact CD1-CE 3.25Å; F262-M279 HydrophobicContact CE1-CE 3.35Å; V265-M279 HydrophobicContact CG1-CB 4.4Å; V265-M279 HydrophobicContact CG1-CG 3.71Å; M269-M279 VanDerWaalsContact SD-CA 3.59Å; M269-M279 HydrophobicContact SD-CB 3.99Å; M279-T282 PolarHBondContact O-N 2.86Å; M279-F283 VanDerWaalsContact O-CB 3.32Å; M279-F283 WeakPolarHBondContact O-CB 3.5Å; M279-F283 PolarHBondContact O-N 2.87Å |
| 280 | R | 93.2 | Very high | 90.7 | Very high | 205 Ų | 205 | 69.6 Ų | 69.6 | 77% | 0.774 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 179.9 | -68.7 | -177.2 | 178.3 | -178.1 | -0.7 | 111.5 | S278 K284 | S278-R280 VanDerWaalsContact C-N 3.33Å; S278-R280 PolarHBondContact O-N 2.9Å; R280-K284 WeakPolarHBondContact O-CB 3.33Å; R280-K284 WeakPolarHBondContact O-CG 3.47Å; R280-K284 PolarHBondContact O-N 3.34Å |
| 281 | T | 93.7 | Very high | 90.6 | Very high | 81 Ų | 81 | 70.8 Ų | 70.8 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 177.7 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | S278 K284 A285 | S278-T281 PolarHBondContact O-N 3.48Å; T281-K284 PolarHBondContact O-N 2.93Å; T281-A285 VanDerWaalsContact O-CB 3.25Å; T281-A285 WeakPolarHBondContact O-CB 3.47Å; T281-A285 PolarHBondContact O-N 2.85Å |
| 282 | T | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 177.4 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | V265 Q268 M269 H276 S278 M279 K284 A285 T286 | V265-T282 HydrophobicContact CG1-CG2 4Å; Q268-T282 HydrophobicContact CB-CG2 3.65Å; M269-T282 HydrophobicContact CG-CG2 4.01Å; M269-T282 WeakPolarHBondContact CG-OG1 3.25Å; H276-T282 HydrophobicContact CB-CG2 4.09Å; H276-T282 VanDerWaalsContact CB-OG1 3.25Å; H276-T282 WeakPolarHBondContact CB-OG1 3.21Å; H276-T282 PolarHBondContact ND1-OG1 2.86Å; S278-T282 WeakPolarHBondContact O-CB 3.34Å; S278-T282 PolarHBondContact O-N 3.49Å; S278-T282 PolarHBondContact O-OG1 3.39Å; M279-T282 PolarHBondContact O-N 2.86Å; T282-K284 PolarHBondContact O-N 3.02Å; T282-A285 PolarHBondContact O-N 3.45Å; T282-T286 WeakPolarHBondContact O-CB 3.49Å; T282-T286 PolarHBondContact O-N 2.87Å; T282-T286 PolarHBondContact O-OG1 2.72Å |
| 283 | F | 95.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 80.2 Ų | 80.2 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.1 | -49 | 176.5 | -177.1 | -88.8 | 0 | 0 | 0 | 111.9 | P261 V265 M279 A285 T286 V287 W292 L295 | P261-F283 HydrophobicContact CB-CE2 4.29Å; V265-F283 HydrophobicContact CG2-CB 3.96Å; V265-F283 HydrophobicContact CG2-CD2 3.92Å; V265-F283 HydrophobicContact CG2-CG 4.45Å; M279-F283 VanDerWaalsContact O-CB 3.32Å; M279-F283 WeakPolarHBondContact O-CB 3.5Å; M279-F283 PolarHBondContact O-N 2.87Å; F283-A285 PolarHBondContact O-N 3.14Å; F283-T286 PolarHBondContact O-N 3.43Å; F283-V287 HydrophobicContact CD1-CG2 4.28Å; F283-V287 HydrophobicContact CE1-CG2 3.94Å; F283-V287 HydrophobicContact CZ-CG2 4.2Å; F283-V287 WeakPolarHBondContact O-CG2 3.14Å; F283-V287 PolarHBondContact O-N 3.05Å; F283-W292 HydrophobicContact CE1-CH2 4.39Å; F283-W292 AromaticContact CZ-CH2 3.94Å; F283-W292 HydrophobicContact CZ-CH2 3.94Å; F283-W292 AromaticContact CZ-CZ3 3.78Å; F283-W292 HydrophobicContact CZ-CZ3 3.78Å; F283-L295 HydrophobicContact CD2-CD1 4.25Å; F283-L295 HydrophobicContact CD2-CD2 4.14Å; F283-L295 HydrophobicContact CE2-CD1 3.53Å; F283-L295 HydrophobicContact CE2-CD2 4.17Å; F283-L295 HydrophobicContact CZ-CD1 3.8Å |
| 284 | K | 94.8 | Very high | 90.7 | Very high | 137 Ų | 137 | 79.6 Ų | 79.6 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 177.1 | -73.1 | -178.9 | -179.9 | -174.4 | 0 | 112.1 | R280 T281 T282 V287 R288 | R280-K284 WeakPolarHBondContact O-CB 3.33Å; R280-K284 WeakPolarHBondContact O-CG 3.47Å; R280-K284 PolarHBondContact O-N 3.34Å; T281-K284 PolarHBondContact O-N 2.93Å; T282-K284 PolarHBondContact O-N 3.02Å; K284-V287 PolarHBondContact O-N 3.39Å; K284-R288 WeakPolarHBondContact O-CB 3.11Å; K284-R288 VanDerWaalsContact O-CG 3.28Å; K284-R288 WeakPolarHBondContact O-CG 3.5Å; K284-R288 PolarHBondContact O-N 3.36Å |
| 285 | A | 93.8 | Very high | 91.1 | Very high | 25 Ų | 25 | 74.7 Ų | 74.7 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T281 T282 F283 R288 Q289 | T281-A285 VanDerWaalsContact O-CB 3.25Å; T281-A285 WeakPolarHBondContact O-CB 3.47Å; T281-A285 PolarHBondContact O-N 2.85Å; T282-A285 PolarHBondContact O-N 3.45Å; F283-A285 PolarHBondContact O-N 3.14Å; A285-R288 PolarHBondContact O-N 3.09Å; A285-Q289 VanDerWaalsContact O-CG 3.32Å; A285-Q289 WeakPolarHBondContact O-CG 3.19Å; A285-Q289 PolarHBondContact O-N 3.43Å |
| 286 | T | 92.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | M264 T282 F283 R288 Q289 G290 L294 L295 | M264-T286 HydrophobicContact CG-CG2 4.09Å; T282-T286 WeakPolarHBondContact O-CB 3.49Å; T282-T286 PolarHBondContact O-N 2.87Å; T282-T286 PolarHBondContact O-OG1 2.72Å; F283-T286 PolarHBondContact O-N 3.43Å; T286-R288 VanDerWaalsContact C-N 3.29Å; T286-R288 PolarHBondContact O-N 3.17Å; T286-Q289 PolarHBondContact O-N 2.65Å; T286-G290 PolarHBondContact O-N 2.83Å; T286-L294 HydrophobicContact CG2-CB 4.35Å; T286-L294 HydrophobicContact CG2-CD2 3.74Å; T286-L294 HydrophobicContact CG2-CG 3.55Å; T286-L294 VanDerWaalsContact O-CD2 3.26Å; T286-L294 WeakPolarHBondContact O-CD2 3.22Å; T286-L295 HydrophobicContact CG2-CD2 3.75Å; T286-L295 HydrophobicContact CG2-CG 4.29Å |
| 287 | V | 94.2 | Very high | 91.8 | Very high | 35 Ų | 35 | 73.4 Ų | 73.4 | 21% | 0.212 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | F283 K284 G291 L295 | F283-V287 HydrophobicContact CD1-CG2 4.28Å; F283-V287 HydrophobicContact CE1-CG2 3.94Å; F283-V287 HydrophobicContact CZ-CG2 4.2Å; F283-V287 WeakPolarHBondContact O-CG2 3.14Å; F283-V287 PolarHBondContact O-N 3.05Å; K284-V287 PolarHBondContact O-N 3.39Å; V287-G291 WeakPolarHBondContact O-CA 3.28Å; V287-G291 PolarHBondContact O-N 3.38Å; V287-L295 HydrophobicContact CG2-CD1 3.66Å; V287-L295 HydrophobicContact CG2-CG 4.32Å |
| 288 | R | 93.8 | Very high | 92.2 | Very high | 217 Ų | 217 | 68.2 Ų | 68.2 | 82% | 0.819 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -70 | -33.9 | 176.7 | -76.2 | 176.9 | 177 | -177.4 | -2.7 | 113.6 | K284 A285 T286 | K284-R288 WeakPolarHBondContact O-CB 3.11Å; K284-R288 VanDerWaalsContact O-CG 3.28Å; K284-R288 WeakPolarHBondContact O-CG 3.5Å; K284-R288 PolarHBondContact O-N 3.36Å; A285-R288 PolarHBondContact O-N 3.09Å; T286-R288 VanDerWaalsContact C-N 3.29Å; T286-R288 PolarHBondContact O-N 3.17Å |
| 289 | Q | 89.1 | Confident | 92.3 | Very high | 142 Ų | 142 | 67.3 Ų | 67.3 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -75.2 | -36 | -177.4 | -76.2 | 172.7 | -2.7 | 0 | 0 | 113.7 | A285 T286 L294 | A285-Q289 VanDerWaalsContact O-CG 3.32Å; A285-Q289 WeakPolarHBondContact O-CG 3.19Å; A285-Q289 PolarHBondContact O-N 3.43Å; T286-Q289 PolarHBondContact O-N 2.65Å; Q289-L294 HydrophobicContact CB-CD2 4.01Å |
| 290 | G | 84.6 | Confident | 92.3 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -150.9 | 17 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T286 | T286-G290 PolarHBondContact O-N 2.83Å |
| 291 | G | 91.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 61 Ų | 61 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | 69.2 | -164.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V287 P293 L294 | V287-G291 WeakPolarHBondContact O-CA 3.28Å; V287-G291 PolarHBondContact O-N 3.38Å; G291-P293 VanDerWaalsContact C-CD 3.5Å; G291-L294 WeakPolarHBondContact O-CB 3.4Å; G291-L294 PolarHBondContact O-N 3.26Å |
| 292 | W | 90.5 | Very high | 92.2 | Very high | 173 Ų | 173 | 57.7 Ų | 57.7 | 66% | 0.655 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -38.1 | 175.7 | -68.7 | 100 | 0 | 0 | 0 | 114.7 | F283 L294 L295 | F283-W292 HydrophobicContact CE1-CH2 4.39Å; F283-W292 AromaticContact CZ-CH2 3.94Å; F283-W292 HydrophobicContact CZ-CH2 3.94Å; F283-W292 AromaticContact CZ-CZ3 3.78Å; F283-W292 HydrophobicContact CZ-CZ3 3.78Å; W292-L294 PolarHBondContact O-N 2.93Å; W292-L295 HydrophobicContact CE3-CD1 3.77Å; W292-L295 HydrophobicContact CZ3-CD1 4.03Å; W292-L295 WeakPolarHBondContact O-CB 3.43Å; W292-L295 PolarHBondContact O-N 3.39Å; W292-L295 VanDerWaalsContact O-N 3.07Å |
| 293 | P | 90.3 | Very high | 92.1 | Very high | 95 Ų | 95 | 58.6 Ų | 58.6 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.5 | -27.8 | 179.3 | -24.7 | 35.6 | 0 | 0 | 0 | 113.3 | G291 L295 L296 T297 | G291-P293 VanDerWaalsContact C-CD 3.5Å; P293-L295 VanDerWaalsContact C-N 3.29Å; P293-L295 PolarHBondContact O-N 2.89Å; P293-L296 PolarHBondContact O-N 2.89Å; P293-T297 PolarHBondContact O-N 2.86Å |
| 294 | L | 90.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 175.4 | 179.1 | 50.7 | 0 | 0 | 0 | 111.6 | R93 M264 T286 Q289 G291 W292 L296 T297 | R93-L294 VanDerWaalsContact NH2-CD1 3.26Å; M264-L294 HydrophobicContact CE-CD1 3.7Å; M264-L294 HydrophobicContact CE-CG 4.26Å; M264-L294 WeakPolarHBondContact CE-O 3.4Å; T286-L294 HydrophobicContact CG2-CB 4.35Å; T286-L294 HydrophobicContact CG2-CD2 3.74Å; T286-L294 HydrophobicContact CG2-CG 3.55Å; T286-L294 VanDerWaalsContact O-CD2 3.26Å; T286-L294 WeakPolarHBondContact O-CD2 3.22Å; Q289-L294 HydrophobicContact CB-CD2 4.01Å; G291-L294 WeakPolarHBondContact O-CB 3.4Å; G291-L294 PolarHBondContact O-N 3.26Å; W292-L294 PolarHBondContact O-N 2.93Å; L294-L296 PolarHBondContact O-N 3.33Å; L294-T297 VanDerWaalsContact O-CB 3.32Å; L294-T297 WeakPolarHBondContact O-CB 3.28Å; L294-T297 PolarHBondContact O-N 3.29Å; L294-T297 PolarHBondContact O-OG1 2.92Å; L294-T297 VanDerWaalsContact O-OG1 3.09Å |
| 295 | L | 93.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -24.2 | 176.5 | -67.6 | 168.7 | 0 | 0 | 0 | 113.1 | Q260 P261 M264 V265 F283 T286 V287 W292 P293 | Q260-L295 WeakPolarHBondContact CG-O 3.22Å; P261-L295 HydrophobicContact CB-CB 4.31Å; P261-L295 HydrophobicContact CB-CD1 4.36Å; P261-L295 HydrophobicContact CB-CD2 4.41Å; M264-L295 HydrophobicContact CB-CD2 4.42Å; M264-L295 HydrophobicContact CG-CD2 4.27Å; V265-L295 HydrophobicContact CG2-CD2 4.38Å; F283-L295 HydrophobicContact CD2-CD1 4.25Å; F283-L295 HydrophobicContact CD2-CD2 4.14Å; F283-L295 HydrophobicContact CE2-CD1 3.53Å; F283-L295 HydrophobicContact CE2-CD2 4.17Å; F283-L295 HydrophobicContact CZ-CD1 3.8Å; T286-L295 HydrophobicContact CG2-CD2 3.75Å; T286-L295 HydrophobicContact CG2-CG 4.29Å; V287-L295 HydrophobicContact CG2-CD1 3.66Å; V287-L295 HydrophobicContact CG2-CG 4.32Å; W292-L295 HydrophobicContact CE3-CD1 3.77Å; W292-L295 HydrophobicContact CZ3-CD1 4.03Å; W292-L295 WeakPolarHBondContact O-CB 3.43Å; W292-L295 PolarHBondContact O-N 3.39Å; W292-L295 VanDerWaalsContact O-N 3.07Å; P293-L295 VanDerWaalsContact C-N 3.29Å; P293-L295 PolarHBondContact O-N 2.89Å |
| 296 | L | 93.3 | Very high | 91.3 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.4 | 177.2 | -59.6 | -178.5 | 0 | 0 | 0 | 113.1 | L257 Q260 P293 L294 G298 F299 | L257-L296 HydrophobicContact CD1-CD1 4.47Å; L257-L296 HydrophobicContact CD1-CD2 3.71Å; Q260-L296 HydrophobicContact CB-CD2 4.28Å; Q260-L296 HydrophobicContact CG-CD2 4.16Å; P293-L296 PolarHBondContact O-N 2.89Å; L294-L296 PolarHBondContact O-N 3.33Å; L296-G298 PolarHBondContact O-N 3.32Å; L296-F299 WeakPolarHBondContact O-CB 3.24Å; L296-F299 PolarHBondContact O-N 3.4Å |
| 297 | T | 91.9 | Very high | 91 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 136.1 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L82 Q83 R93 Q260 P293 L294 F299 | L82-T297 HydrophobicContact CB-CG2 3.91Å; L82-T297 WeakPolarHBondContact O-CG2 3.41Å; Q83-T297 WeakPolarHBondContact CG-O 3.41Å; Q83-T297 PolarHBondContact NE2-O 3.47Å; R93-T297 HydrophobicContact CB-CG2 4.25Å; R93-T297 HydrophobicContact CG-CG2 4.43Å; R93-T297 PolarHBondContact NH1-OG1 3.21Å; Q260-T297 PolarHBondContact NE2-O 2.92Å; P293-T297 PolarHBondContact O-N 2.86Å; L294-T297 VanDerWaalsContact O-CB 3.32Å; L294-T297 WeakPolarHBondContact O-CB 3.28Å; L294-T297 PolarHBondContact O-N 3.29Å; L294-T297 PolarHBondContact O-OG1 2.92Å; L294-T297 VanDerWaalsContact O-OG1 3.09Å; T297-F299 VanDerWaalsContact C-N 3.31Å |
| 298 | G | 91.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 7.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L296 P301 R302 | L296-G298 PolarHBondContact O-N 3.32Å; G298-P301 WeakPolarHBondContact O-CG 3.23Å; G298-R302 WeakPolarHBondContact O-CB 3.49Å; G298-R302 PolarHBondContact O-N 3.13Å |
| 299 | F | 93.1 | Very high | 90.2 | Very high | 30 Ų | 30 | 51 Ų | 51 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 176.1 | 175.1 | -105.9 | 0 | 0 | 0 | 112.4 | F253 C256 L257 Q260 L296 T297 R302 V303 | F253-F299 HydrophobicContact CD1-CZ 4.13Å; F253-F299 AromaticContact CD2-CE1 3.97Å; F253-F299 HydrophobicContact CD2-CE1 3.97Å; F253-F299 AromaticContact CD2-CZ 3.71Å; F253-F299 HydrophobicContact CD2-CZ 3.71Å; F253-F299 HydrophobicContact CE1-CE1 4.28Å; F253-F299 AromaticContact CE1-CZ 3.9Å; F253-F299 HydrophobicContact CE1-CZ 3.9Å; F253-F299 AromaticContact CE2-CE1 3.33Å; F253-F299 HydrophobicContact CE2-CE1 3.33Å; F253-F299 AromaticContact CE2-CZ 3.49Å; F253-F299 HydrophobicContact CE2-CZ 3.49Å; F253-F299 VanDerWaalsContact CE2-CZ 3.49Å; F253-F299 HydrophobicContact CG-CZ 4.03Å; F253-F299 AromaticContact CZ-CE1 3.5Å; F253-F299 HydrophobicContact CZ-CE1 3.5Å; F253-F299 AromaticContact CZ-CZ 3.57Å; F253-F299 HydrophobicContact CZ-CZ 3.57Å; C256-F299 HydrophobicContact CB-CD2 4.33Å; C256-F299 HydrophobicContact CB-CE2 3.67Å; L257-F299 HydrophobicContact CB-CE2 4.04Å; L257-F299 HydrophobicContact CB-CZ 4.37Å; L257-F299 HydrophobicContact CD1-CE2 4.2Å; L257-F299 HydrophobicContact CD1-CZ 4.36Å; Q260-F299 HydrophobicContact CB-CD2 4.24Å; Q260-F299 HydrophobicContact CG-CB 4.1Å; Q260-F299 HydrophobicContact CG-CD2 4.14Å; L296-F299 WeakPolarHBondContact O-CB 3.24Å; L296-F299 PolarHBondContact O-N 3.4Å; T297-F299 VanDerWaalsContact C-N 3.31Å; F299-R302 WeakPolarHBondContact O-CA 3.24Å; F299-R302 VanDerWaalsContact O-CB 3.3Å; F299-R302 WeakPolarHBondContact O-CB 3.2Å; F299-R302 PolarHBondContact O-N 2.97Å; F299-R302 VanDerWaalsContact O-N 3.1Å; F299-V303 HydrophobicContact CD1-CG2 4.26Å; F299-V303 HydrophobicContact CD2-CG2 4.1Å; F299-V303 HydrophobicContact CE1-CG2 3.78Å; F299-V303 HydrophobicContact CE2-CG2 3.6Å; F299-V303 HydrophobicContact CG-CG2 4.41Å; F299-V303 HydrophobicContact CZ-CG2 3.43Å; F299-V303 VanDerWaalsContact CZ-CG2 3.43Å; F299-V303 PolarHBondContact O-N 3.35Å |
| 300 | L | 92.9 | Very high | 89.7 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 53% | 0.534 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.9 | -54.6 | -179.5 | -178.6 | 62.5 | 0 | 0 | 0 | 113.5 | L95 R302 V303 I304 | L95-L300 HydrophobicContact CB-CD2 4.46Å; L95-L300 HydrophobicContact CD2-CD2 4.29Å; L95-L300 HydrophobicContact CD2-CG 4.37Å; L300-R302 PolarHBondContact O-N 2.88Å; L300-V303 PolarHBondContact O-N 3.16Å; L300-I304 HydrophobicContact CD1-CD1 3.88Å; L300-I304 HydrophobicContact CD1-CG1 4.23Å; L300-I304 HydrophobicContact CG-CD1 3.88Å; L300-I304 WeakPolarHBondContact O-CG1 3.5Å; L300-I304 PolarHBondContact O-N 3.35Å |
| 301 | P | 93.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -29.3 | 177.5 | 24 | -34.4 | 0 | 0 | 0 | 112.4 | F75 K79 L82 L95 G298 K305 | F75-P301 HydrophobicContact CD1-CB 4.36Å; K79-P301 HydrophobicContact CB-CB 4.1Å; K79-P301 HydrophobicContact CB-CG 3.76Å; K79-P301 HydrophobicContact CG-CG 4.28Å; L82-P301 HydrophobicContact CD1-CG 4.1Å; L95-P301 HydrophobicContact CD1-CB 3.89Å; L95-P301 HydrophobicContact CD1-CG 4.18Å; L95-P301 HydrophobicContact CD2-CB 4.23Å; G298-P301 WeakPolarHBondContact O-CG 3.23Å; P301-K305 WeakPolarHBondContact O-CB 3.4Å; P301-K305 PolarHBondContact O-N 3.03Å |
| 302 | R | 91.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -47.1 | 174.9 | 179.8 | -175.4 | -179.9 | 168 | 2.1 | 112 | K79 T259 D263 G298 F299 L300 K306 | K79-R302 HydrophobicContact CD-CB 4.2Å; T259-R302 VanDerWaalsContact C-NH1 3.33Å; T259-R302 PolarHBondContact O-NH1 2.95Å; T259-R302 PolarHBondContact OG1-NH2 2.85Å; D263-R302 VanDerWaalsContact CB-NH1 3.34Å; G298-R302 WeakPolarHBondContact O-CB 3.49Å; G298-R302 PolarHBondContact O-N 3.13Å; F299-R302 WeakPolarHBondContact O-CA 3.24Å; F299-R302 VanDerWaalsContact O-CB 3.3Å; F299-R302 WeakPolarHBondContact O-CB 3.2Å; F299-R302 PolarHBondContact O-N 2.97Å; F299-R302 VanDerWaalsContact O-N 3.1Å; L300-R302 PolarHBondContact O-N 2.88Å; R302-K306 HydrophobicContact CG-CG 4.46Å; R302-K306 WeakPolarHBondContact O-CB 3.15Å; R302-K306 VanDerWaalsContact O-CG 3.28Å; R302-K306 WeakPolarHBondContact O-CG 3.41Å; R302-K306 PolarHBondContact O-N 3.03Å |
| 303 | V | 91.8 | Very high | 88.3 | Confident | 19 Ų | 19 | 38 Ų | 38 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -51.1 | 179 | 172.9 | 0 | 0 | 0 | 0 | 110 | F253 C256 F299 L300 K305 K306 S307 | F253-V303 HydrophobicContact CD2-CG1 4.43Å; F253-V303 HydrophobicContact CD2-CG2 4.37Å; C256-V303 HydrophobicContact CB-CG2 4Å; F299-V303 HydrophobicContact CD1-CG2 4.26Å; F299-V303 HydrophobicContact CD2-CG2 4.1Å; F299-V303 HydrophobicContact CE1-CG2 3.78Å; F299-V303 HydrophobicContact CE2-CG2 3.6Å; F299-V303 HydrophobicContact CG-CG2 4.41Å; F299-V303 HydrophobicContact CZ-CG2 3.43Å; F299-V303 VanDerWaalsContact CZ-CG2 3.43Å; F299-V303 PolarHBondContact O-N 3.35Å; L300-V303 PolarHBondContact O-N 3.16Å; V303-K305 VanDerWaalsContact C-N 3.33Å; V303-K305 PolarHBondContact O-N 3.29Å; V303-K306 PolarHBondContact O-N 3.31Å; V303-S307 PolarHBondContact O-N 2.95Å; V303-S307 PolarHBondContact O-OG 3.08Å; V303-S307 VanDerWaalsContact O-OG 3.14Å |
| 304 | I | 92 | Very high | 87.6 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 27% | 0.272 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.5 | -51.5 | 178.2 | -66.4 | 170.1 | 0 | 0 | 0 | 110.2 | F75 L95 L300 K306 S307 L308 | F75-I304 HydrophobicContact CD1-CG2 4.15Å; F75-I304 HydrophobicContact CE1-CB 4.43Å; F75-I304 HydrophobicContact CE1-CG2 3.67Å; F75-I304 HydrophobicContact CE2-CG2 4.25Å; F75-I304 HydrophobicContact CZ-CG2 3.72Å; L95-I304 HydrophobicContact CD2-CD1 4.11Å; L300-I304 HydrophobicContact CD1-CD1 3.88Å; L300-I304 HydrophobicContact CD1-CG1 4.23Å; L300-I304 HydrophobicContact CG-CD1 3.88Å; L300-I304 WeakPolarHBondContact O-CG1 3.5Å; L300-I304 PolarHBondContact O-N 3.35Å; I304-K306 PolarHBondContact O-N 2.96Å; I304-S307 PolarHBondContact O-N 3.21Å; I304-L308 HydrophobicContact CG2-CD1 3.59Å; I304-L308 HydrophobicContact CG2-CG 4.26Å; I304-L308 WeakPolarHBondContact O-CB 3.37Å; I304-L308 VanDerWaalsContact O-CG 3.3Å; I304-L308 WeakPolarHBondContact O-CG 3.34Å; I304-L308 PolarHBondContact O-N 2.73Å |
| 305 | K | 90.1 | Very high | 87.1 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 18% | 0.183 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.5 | -50.5 | 178.7 | -176.6 | -166.1 | 175.8 | -162.8 | 0 | 111.8 | F72 F75 D76 P301 V303 S307 L308 T309 | F72-K305 HydrophobicContact CB-CG 4.05Å; F75-K305 HydrophobicContact CB-CB 3.92Å; F75-K305 HydrophobicContact CB-CG 4.35Å; D76-K305 WeakPolarHBondContact OD1-CD 3.41Å; D76-K305 WeakPolarHBondContact OD1-CE 3.36Å; D76-K305 IonicContact OD1-NZ 3Å; D76-K305 PolarHBondContact OD1-NZ 3.05Å; D76-K305 WeakPolarHBondContact OD2-CE 3.04Å; D76-K305 IonicContact OD2-NZ 3.32Å; D76-K305 PolarHBondContact OD2-NZ 3.26Å; P301-K305 WeakPolarHBondContact O-CB 3.4Å; P301-K305 PolarHBondContact O-N 3.03Å; V303-K305 VanDerWaalsContact C-N 3.33Å; V303-K305 PolarHBondContact O-N 3.29Å; K305-S307 VanDerWaalsContact C-N 3.32Å; K305-S307 PolarHBondContact O-N 3.17Å; K305-L308 PolarHBondContact O-N 3.38Å; K305-T309 WeakPolarHBondContact O-CA 3.48Å; K305-T309 WeakPolarHBondContact O-CB 3.23Å; K305-T309 PolarHBondContact O-N 2.93Å; K305-T309 PolarHBondContact O-OG1 2.88Å |
| 306 | K | 86.1 | Confident | 86.4 | Confident | 84 Ų | 84 | 40.3 Ų | 40.3 | 37% | 0.365 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | -175.8 | -78.6 | -74.3 | -170.3 | 165.6 | 0 | 111.2 | Y217 R302 V303 I304 S310 | Y217-K306 HydrophobicContact CE1-CD 4.37Å; Y217-K306 WeakPolarHBondContact OH-CD 3.23Å; R302-K306 HydrophobicContact CG-CG 4.46Å; R302-K306 WeakPolarHBondContact O-CB 3.15Å; R302-K306 VanDerWaalsContact O-CG 3.28Å; R302-K306 WeakPolarHBondContact O-CG 3.41Å; R302-K306 PolarHBondContact O-N 3.03Å; V303-K306 PolarHBondContact O-N 3.31Å; I304-K306 PolarHBondContact O-N 2.96Å; K306-S310 WeakPolarHBondContact O-CB 3.48Å; K306-S310 PolarHBondContact O-N 3.47Å; K306-S310 VanDerWaalsContact O-N 3.1Å |
| 307 | S | 85.2 | Confident | 85.7 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.8 | -51.1 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | V303 I304 K305 S310 A311 | V303-S307 PolarHBondContact O-N 2.95Å; V303-S307 PolarHBondContact O-OG 3.08Å; V303-S307 VanDerWaalsContact O-OG 3.14Å; I304-S307 PolarHBondContact O-N 3.21Å; K305-S307 VanDerWaalsContact C-N 3.32Å; K305-S307 PolarHBondContact O-N 3.17Å; S307-S310 PolarHBondContact O-N 2.94Å; S307-A311 PolarHBondContact O-N 3.24Å |
| 308 | L | 86.9 | Confident | 84.9 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.6 | -40.1 | -177.4 | -65.8 | 178.7 | 0 | 0 | 0 | 112.9 | F72 F75 I304 K305 S310 A311 C312 | F72-L308 HydrophobicContact CD1-CB 4.01Å; F72-L308 HydrophobicContact CD1-CD1 4.26Å; F72-L308 HydrophobicContact CE1-CB 3.45Å; F72-L308 VanDerWaalsContact CE1-CB 3.45Å; F72-L308 HydrophobicContact CE1-CD1 3.79Å; F72-L308 HydrophobicContact CE1-CG 4.23Å; F72-L308 HydrophobicContact CE2-CB 4.12Å; F72-L308 WeakPolarHBondContact CE2-O 3.41Å; F72-L308 HydrophobicContact CZ-CB 3.51Å; F75-L308 HydrophobicContact CE2-CD1 4.25Å; F75-L308 HydrophobicContact CZ-CD1 4.49Å; I304-L308 HydrophobicContact CG2-CD1 3.59Å; I304-L308 HydrophobicContact CG2-CG 4.26Å; I304-L308 WeakPolarHBondContact O-CB 3.37Å; I304-L308 VanDerWaalsContact O-CG 3.3Å; I304-L308 WeakPolarHBondContact O-CG 3.34Å; I304-L308 PolarHBondContact O-N 2.73Å; K305-L308 PolarHBondContact O-N 3.38Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-S310 PolarHBondContact O-N 3.2Å; L308-A311 PolarHBondContact O-N 3.39Å; L308-C312 WeakPolarHBondContact O-CB 3.38Å; L308-C312 PolarHBondContact O-N 3.31Å |
| 309 | T | 84.8 | Confident | 84.4 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | F72 K305 S313 | F72-T309 WeakPolarHBondContact CD2-OG1 3.33Å; K305-T309 WeakPolarHBondContact O-CA 3.48Å; K305-T309 WeakPolarHBondContact O-CB 3.23Å; K305-T309 PolarHBondContact O-N 2.93Å; K305-T309 PolarHBondContact O-OG1 2.88Å; T309-S313 WeakPolarHBondContact O-CB 3.33Å; T309-S313 PolarHBondContact O-N 3.35Å; T309-S313 PolarHBondContact O-OG 3.21Å |
| 310 | S | 78.2 | Confident | 83.7 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 177.6 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | K306 S307 L308 C312 W314 | K306-S310 WeakPolarHBondContact O-CB 3.48Å; K306-S310 PolarHBondContact O-N 3.47Å; K306-S310 VanDerWaalsContact O-N 3.1Å; S307-S310 PolarHBondContact O-N 2.94Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-S310 PolarHBondContact O-N 3.2Å; S310-C312 PolarHBondContact O-N 3.46Å; S310-W314 PolarHBondContact O-N 3.47Å |
| 311 | A | 78.8 | Confident | 82.9 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -51.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I23 S307 L308 W314 T315 | I23-A311 HydrophobicContact CD1-CB 3.58Å; I23-A311 HydrophobicContact CG1-CB 3.98Å; S307-A311 PolarHBondContact O-N 3.24Å; L308-A311 PolarHBondContact O-N 3.39Å; A311-W314 PolarHBondContact O-N 3.38Å; A311-T315 PolarHBondContact O-N 3.14Å; A311-T315 PolarHBondContact O-OG1 2.94Å |
| 312 | C | 79.6 | Confident | 82.1 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72 | -34.6 | -177.9 | -70.6 | 0 | 0 | 0 | 0 | 113.5 | F72 L308 S310 W314 T315 I316 | F72-C312 HydrophobicContact CE2-CB 3.74Å; F72-C312 HydrophobicContact CZ-CB 3.98Å; F72-C312 VanDerWaalsContact CZ-SG 3.57Å; L308-C312 WeakPolarHBondContact O-CB 3.38Å; L308-C312 PolarHBondContact O-N 3.31Å; S310-C312 PolarHBondContact O-N 3.46Å; C312-W314 VanDerWaalsContact C-N 3.29Å; C312-W314 PolarHBondContact O-N 3.12Å; C312-T315 PolarHBondContact O-N 3.37Å; C312-I316 WeakPolarHBondContact O-CB 3.27Å; C312-I316 WeakPolarHBondContact O-CD1 3.48Å; C312-I316 WeakPolarHBondContact O-CG1 3.37Å; C312-I316 PolarHBondContact O-N 3.15Å |
| 313 | S | 77.7 | Confident | 81.4 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 174.5 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | S64 S68 T309 F317 | S64-S313 WeakPolarHBondContact CB-O 3.28Å; S68-S313 WeakPolarHBondContact CB-OG 3.37Å; S68-S313 PolarHBondContact OG-OG 3.34Å; T309-S313 WeakPolarHBondContact O-CB 3.33Å; T309-S313 PolarHBondContact O-N 3.35Å; T309-S313 PolarHBondContact O-OG 3.21Å; S313-F317 VanDerWaalsContact O-CB 3.25Å; S313-F317 WeakPolarHBondContact O-CB 3.12Å; S313-F317 PolarHBondContact O-N 3.41Å |
| 314 | W | 76.1 | Confident | 80.6 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67 | -46 | 176.3 | -74.3 | 115 | 0 | 0 | 0 | 112.3 | S310 A311 C312 I316 F317 D318 | S310-W314 PolarHBondContact O-N 3.47Å; A311-W314 PolarHBondContact O-N 3.38Å; C312-W314 VanDerWaalsContact C-N 3.29Å; C312-W314 PolarHBondContact O-N 3.12Å; W314-I316 VanDerWaalsContact C-N 3.34Å; W314-I316 PolarHBondContact O-N 3.46Å; W314-F317 PolarHBondContact O-N 2.76Å; W314-D318 WeakPolarHBondContact O-CB 3.28Å; W314-D318 PolarHBondContact O-N 2.96Å |
| 315 | T | 80.8 | Confident | 79.6 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 177.4 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | T22 I23 F25 A311 C312 D318 L319 | T22-T315 HydrophobicContact CG2-CG2 4.44Å; I23-T315 PolarHBondContact O-OG1 2.94Å; F25-T315 HydrophobicContact CD2-CG2 4.44Å; A311-T315 PolarHBondContact O-N 3.14Å; A311-T315 PolarHBondContact O-OG1 2.94Å; C312-T315 PolarHBondContact O-N 3.37Å; T315-D318 PolarHBondContact O-N 3.36Å; T315-L319 HydrophobicContact CG2-CD1 4.12Å; T315-L319 WeakPolarHBondContact O-CB 3.47Å; T315-L319 VanDerWaalsContact O-CG 3.26Å; T315-L319 WeakPolarHBondContact O-CG 3.33Å; T315-L319 PolarHBondContact O-N 3.02Å |
| 316 | I | 78.6 | Confident | 78.3 | Confident | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.4 | -65.9 | 165.9 | 0 | 0 | 0 | 110.3 | C67 C312 W314 D318 L319 L320 | C67-I316 HydrophobicContact CB-CD1 3.82Å; C312-I316 WeakPolarHBondContact O-CB 3.27Å; C312-I316 WeakPolarHBondContact O-CD1 3.48Å; C312-I316 WeakPolarHBondContact O-CG1 3.37Å; C312-I316 PolarHBondContact O-N 3.15Å; W314-I316 VanDerWaalsContact C-N 3.34Å; W314-I316 PolarHBondContact O-N 3.46Å; I316-D318 VanDerWaalsContact C-N 3.33Å; I316-D318 PolarHBondContact O-N 2.82Å; I316-L319 PolarHBondContact O-N 3.4Å; I316-L320 HydrophobicContact CG2-CD1 3.76Å; I316-L320 HydrophobicContact CG2-CG 4.21Å; I316-L320 WeakPolarHBondContact O-CB 3.4Å; I316-L320 VanDerWaalsContact O-CG 3.23Å; I316-L320 WeakPolarHBondContact O-CG 2.98Å; I316-L320 PolarHBondContact O-N 3.01Å |
| 317 | F | 77.9 | Confident | 76.7 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 176.1 | -179.6 | -92.2 | 0 | 0 | 0 | 111.7 | A49 F60 S313 W314 L320 S321 | A49-F317 HydrophobicContact CB-CE1 4.49Å; F60-F317 HydrophobicContact CB-CD2 3.98Å; F60-F317 HydrophobicContact CB-CE2 3.97Å; S313-F317 VanDerWaalsContact O-CB 3.25Å; S313-F317 WeakPolarHBondContact O-CB 3.12Å; S313-F317 PolarHBondContact O-N 3.41Å; W314-F317 PolarHBondContact O-N 2.76Å; F317-L320 PolarHBondContact O-N 3.43Å; F317-S321 WeakPolarHBondContact CE1-OG 3.4Å; F317-S321 WeakPolarHBondContact O-CB 3.31Å; F317-S321 PolarHBondContact O-N 2.79Å; F317-S321 PolarHBondContact O-OG 2.92Å |
| 318 | D | 76.3 | Confident | 75.1 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 178 | -77.4 | -0.7 | 0 | 0 | 0 | 111.3 | T22 N45 W314 T315 I316 S321 A322 | T22-D318 WeakPolarHBondContact CG2-OD2 3.37Å; T22-D318 PolarHBondContact OG1-OD2 3.28Å; N45-D318 PolarHBondContact ND2-OD2 3.4Å; N45-D318 VanDerWaalsContact ND2-OD2 3.12Å; W314-D318 WeakPolarHBondContact O-CB 3.28Å; W314-D318 PolarHBondContact O-N 2.96Å; T315-D318 PolarHBondContact O-N 3.36Å; I316-D318 VanDerWaalsContact C-N 3.33Å; I316-D318 PolarHBondContact O-N 2.82Å; D318-S321 PolarHBondContact O-N 3.08Å; D318-A322 VanDerWaalsContact O-CB 3.28Å; D318-A322 WeakPolarHBondContact O-CB 3.41Å; D318-A322 PolarHBondContact O-N 2.95Å |
| 319 | L | 80.5 | Confident | 72.6 | Confident | 117 Ų | 117 | 65.9 Ų | 65.9 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 178.7 | -72.8 | 172.7 | 0 | 0 | 0 | 112.3 | T315 I316 H323 | T315-L319 HydrophobicContact CG2-CD1 4.12Å; T315-L319 WeakPolarHBondContact O-CB 3.47Å; T315-L319 VanDerWaalsContact O-CG 3.26Å; T315-L319 WeakPolarHBondContact O-CG 3.33Å; T315-L319 PolarHBondContact O-N 3.02Å; I316-L319 PolarHBondContact O-N 3.4Å; L319-H323 WeakPolarHBondContact O-CB 3.01Å; L319-H323 PolarHBondContact O-N 3.19Å |
| 320 | L | 79.2 | Confident | 72 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.7 | -70.1 | 171.8 | 0 | 0 | 0 | 111.2 | F60 L63 I316 F317 H323 A324 | F60-L320 HydrophobicContact CB-CB 4.09Å; F60-L320 HydrophobicContact CB-CD1 4.21Å; F60-L320 HydrophobicContact CD1-CB 3.97Å; F60-L320 HydrophobicContact CD1-CD1 4.36Å; F60-L320 HydrophobicContact CD2-CB 4.41Å; F60-L320 HydrophobicContact CG-CB 3.91Å; L63-L320 HydrophobicContact CB-CD1 4.07Å; L63-L320 HydrophobicContact CD2-CD1 3.76Å; L63-L320 HydrophobicContact CD2-CD2 3.99Å; L63-L320 HydrophobicContact CG-CD1 4.02Å; I316-L320 HydrophobicContact CG2-CD1 3.76Å; I316-L320 HydrophobicContact CG2-CG 4.21Å; I316-L320 WeakPolarHBondContact O-CB 3.4Å; I316-L320 VanDerWaalsContact O-CG 3.23Å; I316-L320 WeakPolarHBondContact O-CG 2.98Å; I316-L320 PolarHBondContact O-N 3.01Å; F317-L320 PolarHBondContact O-N 3.43Å; L320-H323 PolarHBondContact O-N 3.46Å; L320-A324 PolarHBondContact O-N 3.5Å |
| 321 | S | 75.5 | Confident | 71.7 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | L52 F317 D318 H323 A324 S325 | L52-S321 WeakPolarHBondContact CD1-OG 3.27Å; F317-S321 WeakPolarHBondContact CE1-OG 3.4Å; F317-S321 WeakPolarHBondContact O-CB 3.31Å; F317-S321 PolarHBondContact O-N 2.79Å; F317-S321 PolarHBondContact O-OG 2.92Å; D318-S321 PolarHBondContact O-N 3.08Å; S321-H323 VanDerWaalsContact C-N 3.31Å; S321-H323 PolarHBondContact O-N 3.13Å; S321-A324 PolarHBondContact O-N 3.13Å; S321-S325 PolarHBondContact O-N 2.95Å; S321-S325 PolarHBondContact O-OG 3.26Å |
| 322 | A | 76.6 | Confident | 71.3 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D318 R326 | D318-A322 VanDerWaalsContact O-CB 3.28Å; D318-A322 WeakPolarHBondContact O-CB 3.41Å; D318-A322 PolarHBondContact O-N 2.95Å; A322-R326 WeakPolarHBondContact O-CG 3.47Å |
| 323 | H | 76.3 | Confident | 70.8 | Confident | 138 Ų | 138 | 74.7 Ų | 74.7 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | 175.1 | -174.3 | 70.6 | 0 | 0 | 0 | 111.8 | L319 L320 S321 R326 | L319-H323 WeakPolarHBondContact O-CB 3.01Å; L319-H323 PolarHBondContact O-N 3.19Å; L320-H323 PolarHBondContact O-N 3.46Å; S321-H323 VanDerWaalsContact C-N 3.31Å; S321-H323 PolarHBondContact O-N 3.13Å; H323-R326 PolarHBondContact O-N 3.11Å |
| 324 | A | 75.4 | Confident | 70.3 | Confident | 41 Ų | 41 | 77.8 Ų | 77.8 | 34% | 0.339 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.6 | -31.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L52 F60 L320 S321 R326 | L52-A324 HydrophobicContact CD2-CB 3.83Å; F60-A324 HydrophobicContact CE2-CB 3.43Å; F60-A324 VanDerWaalsContact CE2-CB 3.43Å; F60-A324 HydrophobicContact CZ-CB 3.42Å; F60-A324 VanDerWaalsContact CZ-CB 3.42Å; L320-A324 PolarHBondContact O-N 3.5Å; S321-A324 PolarHBondContact O-N 3.13Å; A324-R326 PolarHBondContact O-N 3.44Å |
| 325 | S | 70.1 | Confident | 70 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.5 | 175 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | A48 S321 | A48-S325 PolarHBondContact O-OG 3.11Å; S321-S325 PolarHBondContact O-N 2.95Å; S321-S325 PolarHBondContact O-OG 3.26Å |
| 326 | R | 64.1 | Low | 69.2 | Low | 162 Ų | 162 | 80.6 Ų | 80.6 | 61% | 0.611 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -67.2 | 128.9 | 175.7 | -75.8 | 177.2 | -176.4 | -169.1 | -1 | 108.6 | A322 H323 A324 A328 | A322-R326 WeakPolarHBondContact O-CG 3.47Å; H323-R326 PolarHBondContact O-N 3.11Å; A324-R326 PolarHBondContact O-N 3.44Å; R326-A328 PolarHBondContact O-N 3.5Å |
| 327 | P | 52 | Low | 68.5 | Low | 118 Ų | 118 | 83.8 Ų | 83.8 | 77% | 0.766 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 131.2 | 171 | 22.9 | -30.4 | 0 | 0 | 0 | 108.5 | L329 | P327-L329 PolarHBondContact O-N 3.32Å; P327-L329 VanDerWaalsContact O-N 3.11Å |
| 328 | A | 50.9 | Low | 67.7 | Low | 103 Ų | 103 | 89.1 Ų | 89.1 | 85% | 0.851 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -57 | 118.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R326 | R326-A328 PolarHBondContact O-N 3.5Š|
| 329 | L | 35.4 | Very low | 66.9 | Low | 245 Ų | 245 | 94.9 Ų | 94.9 | 100% | 1.283 | 54% | 0.538 | S | S | * | . | trans | -60.4 | 0 | 174.4 | -83.4 | 163.8 | 0 | 0 | 0 | 111.2 | P327 | P327-L329 PolarHBondContact O-N 3.32Å; P327-L329 VanDerWaalsContact O-N 3.11Å |
Retrieved 329 of 329 residues in 646.3 ms
(Link to these results)