| 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 | 25.6 | Very low | 29.3 | Very low | 210 Ų | 210 | 60.1 Ų | 60.1 | 100% | 1.034 | 34% | 0.341 | S | S | * | . | 0 | 42.9 | 0 | -136.6 | 171.7 | -170.3 | 0 | 0 | 109.8 | D75 | M1-D75 WeakPolarHBondContact CE-OD1 3.41Š| |||
| 2 | S | 21.4 | Very low | 29.6 | Very low | 90 Ų | 90 | 56.8 Ų | 56.8 | 63% | 0.629 | 32% | 0.323 | S | S | * | . | trans | -120.5 | -8 | -150 | 38.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | D | 26.4 | Very low | 29.5 | Very low | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 34% | 0.343 | S | S | . | . | trans | -132.7 | 45.7 | -161.5 | -66.7 | -98.7 | 0 | 0 | 0 | 112.8 | K277 | D3-K277 IonicContact OD1-NZ 2.99Å; D3-K277 PolarHBondContact OD1-NZ 3.14Å | ||
| 4 | I | 30.4 | Very low | 29.7 | Very low | 83 Ų | 83 | 59.9 Ų | 59.9 | 43% | 0.426 | 35% | 0.346 | S | S | . | . | trans | -116.8 | 59 | 167.7 | -43.6 | 179.7 | 0 | 0 | 0 | 109.5 | ||||
| 5 | T | 27.8 | Very low | 29.4 | Very low | 67 Ų | 67 | 60.7 Ų | 60.7 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -118.3 | -1.7 | 173.8 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | R54 A57 | T5-R54 HydrophobicContact CG2-CG 4.41Å; T5-A57 HydrophobicContact CG2-CB 4.09Å |
| 6 | S | 28.8 | Very low | 29.6 | Very low | 13 Ų | 13 | 63.9 Ų | 63.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | trans | -144.5 | 62.3 | -178.2 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | L27 R274 | S6-L27 WeakPolarHBondContact O-CD1 3.31Å; S6-R274 PolarHBondContact OG-NE 3.37Å; S6-R274 PolarHBondContact OG-NH2 3.34Å | ||
| 7 | C | 32.8 | Very low | 29.7 | Very low | 32 Ų | 32 | 64.4 Ų | 64.4 | 22% | 0.216 | 39% | 0.387 | C | S | . | . | trans | -100.4 | 134 | 157.2 | -72.3 | 0 | 0 | 0 | 0 | 108.5 | V25 W50 | C7-V25 PolarHBondContact SG-O 3.02Å; C7-V25 VanDerWaalsContact SG-O 3.4Å; C7-W50 VanDerWaalsContact O-CD1 3.31Å | ||
| 8 | C | 32.8 | Very low | 30.5 | Very low | 12 Ų | 12 | 61.1 Ų | 61.1 | 8% | 0.081 | 37% | 0.367 | C | S | . | . | trans | -57.8 | 157.6 | 178.7 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | L10 V286 | C8-L10 PolarHBondContact O-N 3.46Å; C8-V286 WeakPolarHBondContact SG-CB 3.35Å; C8-V286 WeakPolarHBondContact SG-CG1 3.39Å | ||
| 9 | P | 31.8 | Very low | 31.9 | Very low | 15 Ų | 15 | 63.9 Ų | 63.9 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | trans | -65.5 | 85.5 | 171 | 28.4 | -35.3 | 0 | 0 | 0 | 110.4 | S11 V48 | P9-S11 VanDerWaalsContact C-N 3.25Å; P9-S11 PolarHBondContact O-N 3.4Å; P9-V48 HydrophobicContact CB-CB 4.17Å; P9-V48 HydrophobicContact CB-CG1 4.05Å; P9-V48 WeakPolarHBondContact CB-O 3.48Å | ||
| 10 | L | 33.7 | Very low | 33.4 | Very low | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -81 | 70.9 | -178.2 | -77.7 | 162.9 | 0 | 0 | 0 | 110.7 | C8 L22 Y23 V25 L294 | C8-L10 PolarHBondContact O-N 3.46Å; L10-L22 WeakPolarHBondContact O-CD2 3.29Å; L10-Y23 WeakPolarHBondContact CB-O 3.49Å; L10-Y23 WeakPolarHBondContact CD1-O 3.35Å; L10-V25 HydrophobicContact CD1-CB 4.07Å; L10-V25 HydrophobicContact CD1-CG2 4.06Å; L10-L294 HydrophobicContact CD2-CD1 4.17Å | ||
| 11 | S | 31.2 | Very low | 35.1 | Very low | 15 Ų | 15 | 67 Ų | 67 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | trans | -93.7 | 93.1 | 164.8 | 49 | 0 | 0 | 0 | 0 | 111.8 | P9 V45 | P9-S11 VanDerWaalsContact C-N 3.25Å; P9-S11 PolarHBondContact O-N 3.4Å; S11-V45 VanDerWaalsContact CB-CG1 3.43Å | ||
| 12 | V | 32 | Very low | 37.5 | Very low | 21 Ų | 21 | 57.2 Ų | 57.2 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | trans | 40.7 | 112.4 | 138.8 | -169.3 | 0 | 0 | 0 | 0 | 118.6 | S18 S21 L22 V45 | V12-S18 WeakPolarHBondContact CG1-O 3.45Å; V12-S21 WeakPolarHBondContact CG2-O 3.41Å; V12-L22 HydrophobicContact CG2-CD2 3.65Å; V12-V45 HydrophobicContact CB-CB 4.14Å; V12-V45 HydrophobicContact CB-CG2 4.21Å; V12-V45 HydrophobicContact CG2-CB 3.96Å; V12-V45 HydrophobicContact CG2-CG2 3.57Å | ||
| 13 | S | 28.9 | Very low | 40.1 | Very low | 84 Ų | 84 | 56.4 Ų | 56.4 | 59% | 0.587 | 31% | 0.307 | S | S | * | . | -176.3 | 96.4 | 112.4 | 40.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 14 | L | 31.9 | Very low | 42.5 | Very low | 72 Ų | 72 | 53.6 Ų | 53.6 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -129.3 | 110.9 | 170.8 | -68.2 | -178.1 | 0 | 0 | 0 | 110.4 | S18 Q292 | L14-S18 PolarHBondContact N-OG 3.24Å; L14-S18 WeakPolarHBondContact O-CB 3.47Å; L14-S18 PolarHBondContact O-OG 3.47Å; L14-Q292 HydrophobicContact CD1-CB 4.11Å; L14-Q292 HydrophobicContact CD2-CB 3.5Å; L14-Q292 VanDerWaalsContact CD2-CB 3.5Å; L14-Q292 HydrophobicContact CD2-CG 3.37Å; L14-Q292 HydrophobicContact CG-CB 4.48Å |
| 15 | S | 25.9 | Very low | 44.6 | Very low | 72 Ų | 72 | 51.6 Ų | 51.6 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 160.5 | -173.5 | 85.9 | 0 | 0 | 0 | 0 | 116 | S17 S18 | S15-S17 PolarHBondContact O-N 2.92Å; S15-S17 PolarHBondContact OG-N 3.14Å; S15-S17 PolarHBondContact OG-OG 2.75Å; S15-S18 PolarHBondContact O-N 3.15Å; S15-S18 VanDerWaalsContact O-N 3.07Å; S15-S18 PolarHBondContact O-OG 3.39Å |
| 16 | P | 31.7 | Very low | 46.9 | Very low | 113 Ų | 113 | 51.1 Ų | 51.1 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -14.5 | 172.5 | -26.3 | 36.1 | 0 | 0 | 0 | 115.5 | ||
| 17 | S | 31.7 | Very low | 49.1 | Very low | 71 Ų | 71 | 51.1 Ų | 51.1 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -23.2 | 176.5 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | S15 R19 | S15-S17 PolarHBondContact O-N 2.92Å; S15-S17 PolarHBondContact OG-N 3.14Å; S15-S17 PolarHBondContact OG-OG 2.75Å; S17-R19 VanDerWaalsContact C-N 3.32Å; S17-R19 PolarHBondContact O-N 3.12Å |
| 18 | S | 44.5 | Very low | 51.1 | Low | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -73.3 | -15.4 | -175.4 | 59.8 | 0 | 0 | 0 | 0 | 115.3 | V12 L14 S15 R20 S21 | V12-S18 WeakPolarHBondContact CG1-O 3.45Å; L14-S18 PolarHBondContact N-OG 3.24Å; L14-S18 WeakPolarHBondContact O-CB 3.47Å; L14-S18 PolarHBondContact O-OG 3.47Å; S15-S18 PolarHBondContact O-N 3.15Å; S15-S18 VanDerWaalsContact O-N 3.07Å; S15-S18 PolarHBondContact O-OG 3.39Å; S18-R20 PolarHBondContact O-N 3.23Å; S18-S21 PolarHBondContact O-N 3.43Å |
| 19 | R | 56.9 | Low | 52.9 | Low | 116 Ų | 116 | 53.5 Ų | 53.5 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -53.1 | -26.9 | 178.6 | -46.9 | -166.3 | -173.4 | -117.8 | 9 | 113.2 | S17 R39 D44 | S17-R19 VanDerWaalsContact C-N 3.32Å; S17-R19 PolarHBondContact O-N 3.12Å; R19-R39 PolarHBondContact O-NH1 2.71Å; R19-D44 WeakPolarHBondContact CB-OD1 3.45Å; R19-D44 VanDerWaalsContact CD-OD1 3.23Å; R19-D44 WeakPolarHBondContact CD-OD1 3.41Å; R19-D44 WeakPolarHBondContact CG-OD1 3.48Å; R19-D44 IonicContact NE-OD1 3.96Å; R19-D44 IonicContact NH1-OD1 3.11Å; R19-D44 PolarHBondContact NH1-OD1 3.01Å; R19-D44 IonicContact NH1-OD2 3.04Å; R19-D44 PolarHBondContact NH1-OD2 2.98Å |
| 20 | R | 61.4 | Low | 54.6 | Low | 182 Ų | 182 | 57.4 Ų | 57.4 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -103.6 | 11.6 | -177.4 | -56.6 | -175.3 | -175.4 | -174.7 | 3.1 | 114.2 | S18 R39 | S18-R20 PolarHBondContact O-N 3.23Å; R20-R39 PolarHBondContact O-N 2.86Å |
| 21 | S | 69.1 | Low | 56.3 | Low | 11 Ų | 11 | 60.9 Ų | 60.9 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 146.7 | -178.8 | -53.7 | 0 | 0 | 0 | 0 | 114.5 | V12 S18 K36 M37 | V12-S21 WeakPolarHBondContact CG2-O 3.41Å; S18-S21 PolarHBondContact O-N 3.43Å; S21-K36 VanDerWaalsContact CB-CE 3.49Å; S21-K36 WeakPolarHBondContact OG-CE 3.36Å; S21-M37 CarbonylContact C-O 3.55Å; S21-M37 WeakPolarHBondContact CA-O 3.45Å; S21-M37 WeakPolarHBondContact CB-O 3.5Å |
| 22 | L | 76.2 | Confident | 58.3 | Low | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 153.1 | 164.6 | -64.9 | 163.1 | 0 | 0 | 0 | 109.4 | L10 V12 K36 M37 R39 V45 V48 F60 Y71 | L10-L22 WeakPolarHBondContact O-CD2 3.29Å; V12-L22 HydrophobicContact CG2-CD2 3.65Å; L22-K36 WeakPolarHBondContact O-CA 3.48Å; L22-M37 HydrophobicContact CB-CB 4.31Å; L22-M37 HydrophobicContact CD1-SD 4.41Å; L22-M37 PolarHBondContact N-O 3.15Å; L22-M37 PolarHBondContact O-N 3.03Å; L22-R39 HydrophobicContact CD1-CG 4.34Å; L22-R39 HydrophobicContact CG-CG 4.29Å; L22-V45 HydrophobicContact CD2-CG2 4.32Å; L22-V48 HydrophobicContact CD2-CG2 4.44Å; L22-F60 HydrophobicContact CD1-CE2 3.63Å; L22-F60 HydrophobicContact CD1-CZ 3.84Å; L22-Y71 HydrophobicContact CD1-CD2 4.38Å; L22-Y71 HydrophobicContact CD1-CE2 4.1Å |
| 23 | Y | 76.3 | Confident | 59.9 | Low | 74 Ų | 74 | 68.8 Ų | 68.8 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.3 | 170.8 | -66.8 | -85 | 0 | 0 | 0 | 108.3 | L10 R35 K36 | L10-Y23 WeakPolarHBondContact CB-O 3.49Å; L10-Y23 WeakPolarHBondContact CD1-O 3.35Å; Y23-R35 CarbonylContact C-O 3.55Å; Y23-R35 WeakPolarHBondContact CA-O 3.38Å; Y23-K36 HydrophobicContact CD1-CB 4.2Å; Y23-K36 HydrophobicContact CD1-CG 4.28Å; Y23-K36 HydrophobicContact CE1-CB 4.04Å; Y23-K36 HydrophobicContact CE1-CD 3.92Å; Y23-K36 HydrophobicContact CE1-CG 3.83Å |
| 24 | L | 75.8 | Confident | 61.9 | Low | 20 Ų | 20 | 67.6 Ų | 67.6 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.8 | 173.5 | -70.8 | 86.5 | 0 | 0 | 0 | 108.1 | S34 R35 M37 W50 W73 | L24-S34 CarbonylContact O-C 3.51Å; L24-S34 WeakPolarHBondContact O-CA 3.21Å; L24-R35 PolarHBondContact N-O 2.89Å; L24-R35 PolarHBondContact O-N 3.4Å; L24-M37 HydrophobicContact CD1-CB 4.32Å; L24-W50 HydrophobicContact CD2-CH2 3.96Å; L24-W50 HydrophobicContact CD2-CZ2 3.73Å; L24-W73 HydrophobicContact CD1-CE3 4.09Å; L24-W73 HydrophobicContact CD1-CH2 4.29Å; L24-W73 HydrophobicContact CD1-CZ3 3.83Å; L24-W73 HydrophobicContact CD2-CD2 3.43Å; L24-W73 VanDerWaalsContact CD2-CD2 3.43Å; L24-W73 HydrophobicContact CD2-CE3 3.53Å; L24-W73 HydrophobicContact CD2-CG 3.94Å; L24-W73 HydrophobicContact CD2-CH2 4.19Å; L24-W73 HydrophobicContact CD2-CZ2 4.08Å; L24-W73 HydrophobicContact CD2-CZ3 3.92Å; L24-W73 HydrophobicContact CG-CE3 4.45Å; L24-W73 HydrophobicContact CG-CZ3 4.44Å |
| 25 | V | 76.3 | Confident | 63.8 | Low | 41 Ų | 41 | 70 Ų | 70 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | trans | -113.7 | 126.8 | -178.7 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | C7 L10 L27 | C7-V25 PolarHBondContact SG-O 3.02Å; C7-V25 VanDerWaalsContact SG-O 3.4Å; L10-V25 HydrophobicContact CD1-CB 4.07Å; L10-V25 HydrophobicContact CD1-CG2 4.06Å; V25-L27 HydrophobicContact CG1-CD2 4.29Å; V25-L27 PolarHBondContact O-N 3.27Å | ||
| 26 | N | 75.1 | Confident | 66.1 | Low | 58 Ų | 58 | 72.7 Ų | 72.7 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | trans | -76 | 114.2 | 172.6 | -176.1 | -5.7 | 0 | 0 | 0 | 109 | D28 A29 E32 | N26-D28 PolarHBondContact OD1-N 3.3Å; N26-D28 VanDerWaalsContact OD1-N 3.07Å; N26-A29 CarbonylContact O-C 3.58Å; N26-A29 PolarHBondContact OD1-N 3.06Å; N26-E32 PolarHBondContact ND2-OE2 2.78Å | ||
| 27 | L | 74.8 | Confident | 68.1 | Low | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -79.9 | -15.3 | -177.9 | -59.1 | -173.7 | 0 | 0 | 0 | 113.7 | S6 V25 V286 L294 I296 | S6-L27 WeakPolarHBondContact O-CD1 3.31Å; V25-L27 HydrophobicContact CG1-CD2 4.29Å; V25-L27 PolarHBondContact O-N 3.27Å; L27-V286 HydrophobicContact CD1-CG2 4.07Å; L27-L294 HydrophobicContact CD2-CD1 4.49Å; L27-L294 HydrophobicContact CD2-CD2 3.94Å; L27-I296 HydrophobicContact CB-CD1 4.38Å; L27-I296 HydrophobicContact CD2-CD1 4.25Å |
| 28 | D | 74.8 | Confident | 69.9 | Low | 69 Ų | 69 | 66.7 Ų | 66.7 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -86 | -26.6 | 173.9 | -79 | -41.4 | 0 | 0 | 0 | 112.9 | N26 R274 K277 | N26-D28 PolarHBondContact OD1-N 3.3Å; N26-D28 VanDerWaalsContact OD1-N 3.07Å; D28-R274 IonicContact OD1-CZ 3.55Å; D28-R274 IonicContact OD1-NH1 3.38Å; D28-R274 PolarHBondContact OD1-NH1 3.16Å; D28-R274 IonicContact OD1-NH2 2.69Å; D28-R274 PolarHBondContact OD1-NH2 3.4Å; D28-R274 IonicContact OD2-NH2 2.82Å; D28-R274 PolarHBondContact OD2-NH2 3.01Å; D28-K277 WeakPolarHBondContact OD1-CE 3.26Å; D28-K277 IonicContact OD1-NZ 3.16Å; D28-K277 PolarHBondContact OD1-NZ 3.23Å; D28-K277 VanDerWaalsContact OD1-NZ 3.1Å; D28-K277 WeakPolarHBondContact OD2-CE 3.4Å; D28-K277 IonicContact OD2-NZ 2.85Å; D28-K277 PolarHBondContact OD2-NZ 3.39Å |
| 29 | A | 71.4 | Confident | 71.3 | Confident | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | trans | -124.8 | 73.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | N26 S31 E32 | N26-A29 CarbonylContact O-C 3.58Å; N26-A29 PolarHBondContact OD1-N 3.06Å; A29-S31 PolarHBondContact O-N 2.98Å; A29-E32 HydrophobicContact CB-CB 4.44Å; A29-E32 HydrophobicContact CB-CG 3.7Å; A29-E32 WeakPolarHBondContact O-CB 3.49Å; A29-E32 PolarHBondContact O-N 2.99Å | ||
| 30 | P | 66.9 | Low | 71.8 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -8 | -176.6 | 28.1 | -36.4 | 0 | 0 | 0 | 114.1 | ||
| 31 | S | 69.2 | Low | 72.3 | Confident | 116 Ų | 116 | 63 Ų | 63 | 81% | 0.811 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.1 | 169.6 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | A29 | A29-S31 PolarHBondContact O-N 2.98Š|
| 32 | E | 73.2 | Confident | 72.6 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -71.8 | 140 | 174.3 | -72.2 | -176.1 | 163.9 | 0 | 0 | 111.1 | N26 A29 S34 | N26-E32 PolarHBondContact ND2-OE2 2.78Å; A29-E32 HydrophobicContact CB-CB 4.44Å; A29-E32 HydrophobicContact CB-CG 3.7Å; A29-E32 WeakPolarHBondContact O-CB 3.49Å; A29-E32 PolarHBondContact O-N 2.99Å; E32-S34 PolarHBondContact O-N 3.12Å |
| 33 | P | 66.6 | Low | 72.7 | Confident | 117 Ų | 117 | 78.8 Ų | 78.8 | 76% | 0.76 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 133.5 | 177.3 | 26.5 | -33.9 | 0 | 0 | 0 | 111.2 | R35 | P33-R35 PolarHBondContact O-N 3.38Š|
| 34 | S | 70.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 78.9 Ų | 78.9 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 129 | 178 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | L24 E32 | L24-S34 CarbonylContact O-C 3.51Å; L24-S34 WeakPolarHBondContact O-CA 3.21Å; E32-S34 PolarHBondContact O-N 3.12Å |
| 35 | R | 71.6 | Confident | 72.8 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 46% | 0.464 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130.5 | 179.8 | -61 | 178.2 | -172 | -139.2 | 8.4 | 109.4 | Y23 L24 P33 W73 | Y23-R35 CarbonylContact C-O 3.55Å; Y23-R35 WeakPolarHBondContact CA-O 3.38Å; L24-R35 PolarHBondContact N-O 2.89Å; L24-R35 PolarHBondContact O-N 3.4Å; P33-R35 PolarHBondContact O-N 3.38Å; R35-W73 HydrophobicContact CB-CH2 3.88Å; R35-W73 HydrophobicContact CB-CZ2 4.21Å |
| 36 | K | 73.9 | Confident | 72.8 | Confident | 127 Ų | 127 | 79.2 Ų | 79.2 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.8 | -175.9 | -175.1 | 179.9 | 179.5 | 178 | 0 | 110.5 | S21 L22 Y23 | S21-K36 VanDerWaalsContact CB-CE 3.49Å; S21-K36 WeakPolarHBondContact OG-CE 3.36Å; L22-K36 WeakPolarHBondContact O-CA 3.48Å; Y23-K36 HydrophobicContact CD1-CB 4.2Å; Y23-K36 HydrophobicContact CD1-CG 4.28Å; Y23-K36 HydrophobicContact CE1-CB 4.04Å; Y23-K36 HydrophobicContact CE1-CD 3.92Å; Y23-K36 HydrophobicContact CE1-CG 3.83Å |
| 37 | M | 73.9 | Confident | 73 | Confident | 11 Ų | 11 | 77 Ų | 77 | 5% | 0.054 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.3 | 176.7 | -179.1 | 179.7 | -178.7 | 0 | 0 | 110.4 | S21 L22 L24 F60 Y71 G78 | S21-M37 CarbonylContact C-O 3.55Å; S21-M37 WeakPolarHBondContact CA-O 3.45Å; S21-M37 WeakPolarHBondContact CB-O 3.5Å; L22-M37 HydrophobicContact CB-CB 4.31Å; L22-M37 HydrophobicContact CD1-SD 4.41Å; L22-M37 PolarHBondContact N-O 3.15Å; L22-M37 PolarHBondContact O-N 3.03Å; L24-M37 HydrophobicContact CD1-CB 4.32Å; M37-F60 HydrophobicContact SD-CZ 4.2Å; M37-Y71 HydrophobicContact CE-CD1 3.17Å; M37-Y71 HydrophobicContact CE-CE1 3.52Å; M37-Y71 HydrophobicContact CE-CG 4.1Å; M37-Y71 HydrophobicContact SD-CD1 4.06Å; M37-Y71 HydrophobicContact SD-CE1 4.44Å; M37-G78 WeakPolarHBondContact CE-O 3.39Å |
| 38 | G | 69.8 | Low | 73.5 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 146.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 39 | R | 74.8 | Confident | 74.1 | Confident | 10 Ų | 10 | 74.5 Ų | 74.5 | 4% | 0.038 | 41% | 0.407 | C | S | . | . | trans | -127.3 | 127.7 | 173.2 | -74.7 | -175.2 | 52 | -107.8 | 9 | 111.2 | R19 R20 L22 S41 W43 S64 Y71 | R19-R39 PolarHBondContact O-NH1 2.71Å; R20-R39 PolarHBondContact O-N 2.86Å; L22-R39 HydrophobicContact CD1-CG 4.34Å; L22-R39 HydrophobicContact CG-CG 4.29Å; R39-S41 PolarHBondContact O-N 2.92Å; R39-W43 PolarHBondContact NH1-O 2.88Å; R39-W43 PolarHBondContact NH2-O 2.87Å; R39-S64 PolarHBondContact NH2-OG 3.27Å; R39-Y71 WeakPolarHBondContact CD-OH 3.06Å; R39-Y71 WeakPolarHBondContact CG-OH 3.44Å; R39-Y71 PolarHBondContact NE-OH 2.79Å | ||
| 40 | H | 67.6 | Low | 74.7 | Confident | 194 Ų | 194 | 75.3 Ų | 75.3 | 90% | 0.898 | 41% | 0.405 | S | S | * | . | trans | -84 | 43.7 | 174.5 | -58.8 | -84.1 | 0 | 0 | 0 | 112.4 | ||||
| 41 | S | 70.4 | Confident | 75.6 | Confident | 20 Ų | 20 | 71 Ų | 71 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | trans | -123.1 | 142.4 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | R39 W43 | R39-S41 PolarHBondContact O-N 2.92Å; S41-W43 VanDerWaalsContact C-N 3.32Å; S41-W43 PolarHBondContact OG-N 2.97Å; S41-W43 VanDerWaalsContact OG-N 3.17Å; S41-W43 PolarHBondContact OG-O 2.86Å | ||
| 42 | K | 76.3 | Confident | 76.3 | Confident | 195 Ų | 195 | 68.3 Ų | 68.3 | 85% | 0.848 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -86.5 | -7.1 | 172 | -63 | -179 | -178.5 | 178.1 | 0 | 112.3 | ||
| 43 | W | 77.9 | Confident | 76.8 | Confident | 151 Ų | 151 | 65.9 Ų | 65.9 | 57% | 0.572 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -104.8 | 139.2 | -175.8 | -55.1 | 108.4 | 0 | 0 | 0 | 111.7 | R39 S41 N65 | R39-W43 PolarHBondContact NH1-O 2.88Å; R39-W43 PolarHBondContact NH2-O 2.87Å; S41-W43 VanDerWaalsContact C-N 3.32Å; S41-W43 PolarHBondContact OG-N 2.97Å; S41-W43 VanDerWaalsContact OG-N 3.17Å; S41-W43 PolarHBondContact OG-O 2.86Å; W43-N65 HydrophobicContact CB-CB 3.9Å; W43-N65 HydrophobicContact CD2-CB 3.98Å; W43-N65 HydrophobicContact CG-CB 3.65Å |
| 44 | D | 74.6 | Confident | 77.4 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | trans | -60.7 | 152.7 | 172.1 | -55.1 | -39.6 | 0 | 0 | 0 | 110.2 | R19 | R19-D44 WeakPolarHBondContact CB-OD1 3.45Å; R19-D44 VanDerWaalsContact CD-OD1 3.23Å; R19-D44 WeakPolarHBondContact CD-OD1 3.41Å; R19-D44 WeakPolarHBondContact CG-OD1 3.48Å; R19-D44 IonicContact NE-OD1 3.96Å; R19-D44 IonicContact NH1-OD1 3.11Å; R19-D44 PolarHBondContact NH1-OD1 3.01Å; R19-D44 IonicContact NH1-OD2 3.04Å; R19-D44 PolarHBondContact NH1-OD2 2.98Å | ||
| 45 | V | 79.3 | Confident | 78.1 | Confident | 14 Ų | 14 | 70 Ų | 70 | 9% | 0.085 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.9 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 109 | S11 V12 L22 V48 A62 S63 | S11-V45 VanDerWaalsContact CB-CG1 3.43Å; V12-V45 HydrophobicContact CB-CB 4.14Å; V12-V45 HydrophobicContact CB-CG2 4.21Å; V12-V45 HydrophobicContact CG2-CB 3.96Å; V12-V45 HydrophobicContact CG2-CG2 3.57Å; L22-V45 HydrophobicContact CD2-CG2 4.32Å; V45-V48 HydrophobicContact CG1-CG2 3.93Å; V45-A62 HydrophobicContact CG1-CB 4.04Å; V45-S63 VanDerWaalsContact CA-O 3.29Å; V45-S63 WeakPolarHBondContact CA-O 3.17Å; V45-S63 WeakPolarHBondContact CG1-O 3.3Å |
| 46 | G | 75.8 | Confident | 78.6 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 57% | 0.567 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -49.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S63 | G46-S63 WeakPolarHBondContact CA-OG 3.33Å; G46-S63 PolarHBondContact N-O 2.69Å; G46-S63 PolarHBondContact N-OG 3.18Å |
| 47 | T | 80.9 | Confident | 78.9 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 152.3 | 179.5 | 176.7 | 0 | 0 | 0 | 0 | 110 | A62 S63 L94 | T47-A62 CarbonylContact O-C 3.57Å; T47-A62 WeakPolarHBondContact O-CA 3.5Å; T47-S63 WeakPolarHBondContact CG2-OG 3.22Å; T47-S63 PolarHBondContact N-OG 2.99Å; T47-S63 PolarHBondContact O-N 3.34Å; T47-L94 HydrophobicContact CG2-CB 4Å; T47-L94 HydrophobicContact CG2-CD1 3.97Å; T47-L94 HydrophobicContact CG2-CG 3.66Å |
| 48 | V | 85.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.3 | 168.7 | 157.2 | 0 | 0 | 0 | 0 | 108.8 | P9 L22 V45 F60 A61 A62 | P9-V48 HydrophobicContact CB-CB 4.17Å; P9-V48 HydrophobicContact CB-CG1 4.05Å; P9-V48 WeakPolarHBondContact CB-O 3.48Å; L22-V48 HydrophobicContact CD2-CG2 4.44Å; V45-V48 HydrophobicContact CG1-CG2 3.93Å; V48-F60 HydrophobicContact CG1-CD2 4.05Å; V48-A61 CarbonylContact C-O 3.53Å; V48-A61 WeakPolarHBondContact CA-O 3.41Å; V48-A62 HydrophobicContact CG2-CB 3.46Å; V48-A62 VanDerWaalsContact CG2-CB 3.46Å |
| 49 | Q | 86 | Confident | 80 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 126.1 | 169.3 | -69.5 | -60.3 | -26.9 | 0 | 0 | 110.2 | F60 A61 L94 W96 | Q49-F60 WeakPolarHBondContact O-CA 3.35Å; Q49-A61 PolarHBondContact N-O 3.05Å; Q49-A61 PolarHBondContact O-N 3.28Å; Q49-L94 HydrophobicContact CG-CB 4.2Å; Q49-W96 PolarHBondContact O-NE1 3.38Å |
| 50 | W | 85.5 | Confident | 80.6 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 147.4 | 168.7 | -75 | 90.1 | 0 | 0 | 0 | 110.4 | C7 L24 P52 A57 F60 W73 W96 | C7-W50 VanDerWaalsContact O-CD1 3.31Å; L24-W50 HydrophobicContact CD2-CH2 3.96Å; L24-W50 HydrophobicContact CD2-CZ2 3.73Å; W50-P52 WeakPolarHBondContact O-CD 3.35Å; W50-A57 VanDerWaalsContact CE3-O 3.25Å; W50-A57 WeakPolarHBondContact CZ3-O 3.37Å; W50-F60 HydrophobicContact CB-CB 4.4Å; W50-F60 HydrophobicContact CD2-CB 3.62Å; W50-F60 HydrophobicContact CD2-CD1 4.24Å; W50-F60 HydrophobicContact CD2-CG 4.2Å; W50-F60 HydrophobicContact CE3-CB 3.76Å; W50-F60 HydrophobicContact CE3-CD1 4.04Å; W50-F60 HydrophobicContact CE3-CG 4.33Å; W50-F60 HydrophobicContact CG-CB 3.92Å; W50-F60 AromaticContact CH2-CD1 3.44Å; W50-F60 HydrophobicContact CH2-CD1 3.44Å; W50-F60 VanDerWaalsContact CH2-CD1 3.44Å; W50-F60 AromaticContact CH2-CE1 3.91Å; W50-F60 HydrophobicContact CH2-CE1 3.91Å; W50-F60 HydrophobicContact CH2-CG 4.32Å; W50-F60 HydrophobicContact CZ2-CB 4.48Å; W50-F60 AromaticContact CZ2-CD1 3.64Å; W50-F60 HydrophobicContact CZ2-CD1 3.64Å; W50-F60 HydrophobicContact CZ2-CE1 4.06Å; W50-F60 HydrophobicContact CZ2-CG 4.18Å; W50-F60 HydrophobicContact CZ3-CB 4.27Å; W50-F60 AromaticContact CZ3-CD1 3.66Å; W50-F60 HydrophobicContact CZ3-CD1 3.66Å; W50-F60 HydrophobicContact CZ3-CE1 4.5Å; W50-F60 HydrophobicContact CZ3-CG 4.39Å; W50-W73 HydrophobicContact CH2-CB 3.75Å; W50-W73 HydrophobicContact CH2-CG 4.02Å; W50-W73 HydrophobicContact CZ3-CB 4.11Å; W50-W96 PolarHBondContact O-NE1 3.07Å |
| 51 | N | 85.8 | Confident | 81.6 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | trans | -67.9 | 123.5 | 173.4 | -167.8 | -38 | 0 | 0 | 0 | 109.4 | H53 Q56 I59 W96 P101 | N51-H53 PolarHBondContact O-N 3.3Å; N51-H53 WeakPolarHBondContact OD1-CB 3.36Å; N51-H53 PolarHBondContact OD1-CD2 3.12Å; N51-H53 VanDerWaalsContact OD1-CD2 3.31Å; N51-H53 PolarHBondContact OD1-N 3.48Å; N51-H53 VanDerWaalsContact OD1-N 3.07Å; N51-Q56 HydrophobicContact CB-CB 4.29Å; N51-Q56 WeakPolarHBondContact CB-O 3.04Å; N51-Q56 WeakPolarHBondContact ND2-CB 3.46Å; N51-Q56 PolarHBondContact ND2-OE1 3.45Å; N51-I59 HydrophobicContact CB-CB 4.46Å; N51-I59 WeakPolarHBondContact CB-O 3.47Å; N51-I59 PolarHBondContact N-O 2.77Å; N51-W96 HydrophobicContact CB-CD2 4.19Å; N51-W96 HydrophobicContact CB-CZ2 4.33Å; N51-P101 PolarHBondContact ND2-O 2.97Å | ||
| 52 | P | 83.6 | Confident | 82.5 | Confident | 60 Ų | 60 | 49 Ų | 49 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | trans | -73 | -13.5 | -176.4 | 29.6 | -35.9 | 0 | 0 | 0 | 113.7 | W50 W96 W98 | W50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-W96 VanDerWaalsContact CD-CB 3.43Å; P52-W96 HydrophobicContact CG-CB 4.11Å; P52-W98 HydrophobicContact CB-CE3 4.48Å; P52-W98 HydrophobicContact CB-CZ3 4.26Å | ||
| 53 | H | 83.3 | Confident | 83.1 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -83 | 130 | -176.2 | -68 | -89.9 | 0 | 0 | 0 | 112 | N51 S55 Q56 A57 S97 W98 P101 | N51-H53 PolarHBondContact O-N 3.3Å; N51-H53 WeakPolarHBondContact OD1-CB 3.36Å; N51-H53 PolarHBondContact OD1-CD2 3.12Å; N51-H53 VanDerWaalsContact OD1-CD2 3.31Å; N51-H53 PolarHBondContact OD1-N 3.48Å; N51-H53 VanDerWaalsContact OD1-N 3.07Å; H53-S55 PolarHBondContact O-N 3.3Å; H53-S55 VanDerWaalsContact O-N 3.12Å; H53-Q56 CarbonylContact O-C 3.55Å; H53-Q56 PolarHBondContact O-N 3.14Å; H53-A57 PolarHBondContact O-N 3.12Å; H53-S97 PolarHBondContact NE2-O 2.86Å; H53-W98 PolarHBondContact CE1-O 2.78Å; H53-P101 HydrophobicContact CB-CB 3.86Å; H53-P101 VanDerWaalsContact CD2-CA 3.44Å; H53-P101 WeakPolarHBondContact CD2-CA 3.29Å |
| 54 | R | 80 | Confident | 83.4 | Confident | 173 Ų | 173 | 32.8 Ų | 32.8 | 65% | 0.653 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -56 | -32.4 | -179.9 | -66.1 | -167.7 | -171.7 | -141.6 | 16.9 | 113.7 | T5 Q56 E278 | T5-R54 HydrophobicContact CG2-CG 4.41Å; R54-Q56 VanDerWaalsContact C-N 3.31Å; R54-Q56 PolarHBondContact O-N 3.48Å; R54-E278 IonicContact CZ-OE2 3.48Å; R54-E278 IonicContact NH1-OE2 3.69Å; R54-E278 PolarHBondContact NH1-OE2 3.25Å; R54-E278 IonicContact NH2-OE2 2.71Å; R54-E278 PolarHBondContact NH2-OE2 3.49Å |
| 55 | S | 83 | Confident | 84.1 | Confident | 88 Ų | 88 | 30.6 Ų | 30.6 | 62% | 0.615 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -63.6 | -32.9 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | H53 | H53-S55 PolarHBondContact O-N 3.3Å; H53-S55 VanDerWaalsContact O-N 3.12Å |
| 56 | Q | 82.7 | Confident | 84.6 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -119.7 | 18.8 | -178.4 | -70.1 | -159.5 | -6 | 0 | 0 | 113.4 | N51 H53 R54 H58 I59 P101 E102 | N51-Q56 HydrophobicContact CB-CB 4.29Å; N51-Q56 WeakPolarHBondContact CB-O 3.04Å; N51-Q56 WeakPolarHBondContact ND2-CB 3.46Å; N51-Q56 PolarHBondContact ND2-OE1 3.45Å; H53-Q56 CarbonylContact O-C 3.55Å; H53-Q56 PolarHBondContact O-N 3.14Å; R54-Q56 VanDerWaalsContact C-N 3.31Å; R54-Q56 PolarHBondContact O-N 3.48Å; Q56-H58 PolarHBondContact O-N 2.95Å; Q56-I59 HydrophobicContact CB-CD1 4.22Å; Q56-I59 HydrophobicContact CB-CG1 4.43Å; Q56-I59 HydrophobicContact CG-CD1 4.19Å; Q56-I59 WeakPolarHBondContact O-CB 3.23Å; Q56-I59 PolarHBondContact O-N 3.33Å; Q56-P101 HydrophobicContact CG-CB 4.3Å; Q56-P101 PolarHBondContact OE1-O 3.48Å; Q56-E102 PolarHBondContact NE2-OE1 2.96Å; Q56-E102 PolarHBondContact NE2-OE2 3.28Å |
| 57 | A | 79.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T5 W50 H53 I59 | T5-A57 HydrophobicContact CG2-CB 4.09Å; W50-A57 VanDerWaalsContact CE3-O 3.25Å; W50-A57 WeakPolarHBondContact CZ3-O 3.37Å; H53-A57 PolarHBondContact O-N 3.12Å; A57-I59 VanDerWaalsContact C-N 3.28Å |
| 58 | H | 80.8 | Confident | 85.9 | Confident | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -10.2 | 170.5 | 65.9 | -77.2 | 0 | 0 | 0 | 113.8 | Q56 W73 R74 | Q56-H58 PolarHBondContact O-N 2.95Å; H58-W73 WeakPolarHBondContact CB-O 3.38Å; H58-W73 PolarHBondContact O-N 3.28Å; H58-R74 HydrophobicContact CB-CG 4.1Å; H58-R74 PolarHBondContact CD2-NE 3.28Å; H58-R74 PolarHBondContact CD2-NH2 3.44Å; H58-R74 PolarHBondContact CE1-NH2 3.09Å; H58-R74 PolarHBondContact ND1-NH2 3.42Å; H58-R74 PolarHBondContact NE2-NH2 3.34Å |
| 59 | I | 86.6 | Confident | 86.1 | Confident | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.8 | -176.4 | -55.9 | -175.3 | 0 | 0 | 0 | 110.4 | N51 Q56 A57 Y71 W96 | N51-I59 HydrophobicContact CB-CB 4.46Å; N51-I59 WeakPolarHBondContact CB-O 3.47Å; N51-I59 PolarHBondContact N-O 2.77Å; Q56-I59 HydrophobicContact CB-CD1 4.22Å; Q56-I59 HydrophobicContact CB-CG1 4.43Å; Q56-I59 HydrophobicContact CG-CD1 4.19Å; Q56-I59 WeakPolarHBondContact O-CB 3.23Å; Q56-I59 PolarHBondContact O-N 3.33Å; A57-I59 VanDerWaalsContact C-N 3.28Å; I59-Y71 VanDerWaalsContact CA-O 3.32Å; I59-Y71 WeakPolarHBondContact CA-O 3.47Å; I59-W96 HydrophobicContact CG2-CH2 4.11Å; I59-W96 HydrophobicContact CG2-CZ2 4.19Å |
| 60 | F | 87.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.9 | 167.7 | 68.8 | -87.8 | 0 | 0 | 0 | 112.5 | L22 M37 V48 Q49 W50 Y71 W73 | L22-F60 HydrophobicContact CD1-CE2 3.63Å; L22-F60 HydrophobicContact CD1-CZ 3.84Å; M37-F60 HydrophobicContact SD-CZ 4.2Å; V48-F60 HydrophobicContact CG1-CD2 4.05Å; Q49-F60 WeakPolarHBondContact O-CA 3.35Å; W50-F60 HydrophobicContact CB-CB 4.4Å; W50-F60 HydrophobicContact CD2-CB 3.62Å; W50-F60 HydrophobicContact CD2-CD1 4.24Å; W50-F60 HydrophobicContact CD2-CG 4.2Å; W50-F60 HydrophobicContact CE3-CB 3.76Å; W50-F60 HydrophobicContact CE3-CD1 4.04Å; W50-F60 HydrophobicContact CE3-CG 4.33Å; W50-F60 HydrophobicContact CG-CB 3.92Å; W50-F60 AromaticContact CH2-CD1 3.44Å; W50-F60 HydrophobicContact CH2-CD1 3.44Å; W50-F60 VanDerWaalsContact CH2-CD1 3.44Å; W50-F60 AromaticContact CH2-CE1 3.91Å; W50-F60 HydrophobicContact CH2-CE1 3.91Å; W50-F60 HydrophobicContact CH2-CG 4.32Å; W50-F60 HydrophobicContact CZ2-CB 4.48Å; W50-F60 AromaticContact CZ2-CD1 3.64Å; W50-F60 HydrophobicContact CZ2-CD1 3.64Å; W50-F60 HydrophobicContact CZ2-CE1 4.06Å; W50-F60 HydrophobicContact CZ2-CG 4.18Å; W50-F60 HydrophobicContact CZ3-CB 4.27Å; W50-F60 AromaticContact CZ3-CD1 3.66Å; W50-F60 HydrophobicContact CZ3-CD1 3.66Å; W50-F60 HydrophobicContact CZ3-CE1 4.5Å; W50-F60 HydrophobicContact CZ3-CG 4.39Å; F60-Y71 AromaticContact CD2-CD2 3.9Å; F60-Y71 HydrophobicContact CD2-CD2 3.9Å; F60-Y71 HydrophobicContact CD2-CG 4.41Å; F60-Y71 VanDerWaalsContact CE1-CB 3.43Å; F60-Y71 HydrophobicContact CE1-CG 4.29Å; F60-Y71 AromaticContact CE2-CD2 3.31Å; F60-Y71 HydrophobicContact CE2-CD2 3.31Å; F60-Y71 HydrophobicContact CE2-CE2 4.16Å; F60-Y71 AromaticContact CE2-CG 3.73Å; F60-Y71 HydrophobicContact CE2-CG 3.73Å; F60-Y71 AromaticContact CZ-CD2 3.76Å; F60-Y71 HydrophobicContact CZ-CD2 3.76Å; F60-Y71 AromaticContact CZ-CG 3.66Å; F60-Y71 HydrophobicContact CZ-CG 3.66Å; F60-Y71 PolarHBondContact N-O 3.17Å; F60-Y71 PolarHBondContact O-N 2.95Å; F60-W73 HydrophobicContact CE1-CB 4.38Å |
| 61 | A | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 142.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V48 Q49 V68 L70 L94 W96 L104 | V48-A61 CarbonylContact C-O 3.53Å; V48-A61 WeakPolarHBondContact CA-O 3.41Å; Q49-A61 PolarHBondContact N-O 3.05Å; Q49-A61 PolarHBondContact O-N 3.28Å; A61-V68 HydrophobicContact CB-CG1 3.87Å; A61-L70 HydrophobicContact CB-CD2 3.57Å; A61-L94 HydrophobicContact CB-CD1 4.06Å; A61-W96 HydrophobicContact CB-CZ2 3.86Å; A61-L104 HydrophobicContact CB-CD1 4.13Å; A61-L104 HydrophobicContact CB-CD2 3.74Å |
| 62 | A | 88.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | V45 T47 V48 V68 D69 Y71 | V45-A62 HydrophobicContact CG1-CB 4.04Å; T47-A62 CarbonylContact O-C 3.57Å; T47-A62 WeakPolarHBondContact O-CA 3.5Å; V48-A62 HydrophobicContact CG2-CB 3.46Å; V48-A62 VanDerWaalsContact CG2-CB 3.46Å; A62-V68 CarbonylContact O-C 3.59Å; A62-V68 WeakPolarHBondContact O-CA 3.35Å; A62-D69 PolarHBondContact N-O 2.79Å; A62-D69 PolarHBondContact O-N 2.86Å; A62-Y71 HydrophobicContact CB-CD2 4.24Å; A62-Y71 HydrophobicContact CB-CE2 3.74Å |
| 63 | S | 88.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.7 | 174.2 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | V45 G46 T47 | V45-S63 VanDerWaalsContact CA-O 3.29Å; V45-S63 WeakPolarHBondContact CA-O 3.17Å; V45-S63 WeakPolarHBondContact CG1-O 3.3Å; G46-S63 WeakPolarHBondContact CA-OG 3.33Å; G46-S63 PolarHBondContact N-O 2.69Å; G46-S63 PolarHBondContact N-OG 3.18Å; T47-S63 WeakPolarHBondContact CG2-OG 3.22Å; T47-S63 PolarHBondContact N-OG 2.99Å; T47-S63 PolarHBondContact O-N 3.34Å |
| 64 | S | 85.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 81.8 | -178.8 | -68.1 | 0 | 0 | 0 | 0 | 109.1 | R39 Q66 R67 D69 | R39-S64 PolarHBondContact NH2-OG 3.27Å; S64-Q66 PolarHBondContact O-N 3Å; S64-R67 PolarHBondContact N-O 2.8Å; S64-R67 PolarHBondContact O-N 3.06Å; S64-R67 VanDerWaalsContact O-N 3.14Å; S64-D69 VanDerWaalsContact CB-OD2 3.26Å; S64-D69 WeakPolarHBondContact CB-OD2 3.33Å; S64-D69 PolarHBondContact OG-OD2 3.4Å |
| 65 | N | 88.2 | Confident | 85.3 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -99.9 | -174 | -178.4 | 12.9 | 0 | 0 | 0 | 112.6 | W43 V90 I91 | W43-N65 HydrophobicContact CB-CB 3.9Å; W43-N65 HydrophobicContact CD2-CB 3.98Å; W43-N65 HydrophobicContact CG-CB 3.65Å; N65-V90 WeakPolarHBondContact O-CA 3.24Å; N65-V90 WeakPolarHBondContact OD1-CG2 3.34Å; N65-I91 WeakPolarHBondContact O-CG1 3.46Å; N65-I91 PolarHBondContact O-N 3.26Å |
| 66 | Q | 91.1 | Very high | 84.4 | Confident | 91 Ų | 91 | 31.1 Ų | 31.1 | 43% | 0.425 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.5 | -178 | -73.4 | 168.5 | -2 | 0 | 0 | 114.1 | S64 T88 R89 | S64-Q66 PolarHBondContact O-N 3Å; Q66-T88 PolarHBondContact NE2-O 3.45Å; Q66-R89 WeakPolarHBondContact CG-O 3.42Å |
| 67 | R | 90.3 | Very high | 83.5 | Confident | 79 Ų | 79 | 33.3 Ų | 33.3 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148.4 | -169.2 | 160.4 | -177.5 | -101.4 | -113.7 | 0.8 | 109.7 | S64 D69 S83 Q85 | S64-R67 PolarHBondContact N-O 2.8Å; S64-R67 PolarHBondContact O-N 3.06Å; S64-R67 VanDerWaalsContact O-N 3.14Å; R67-D69 WeakPolarHBondContact CD-OD1 3.23Å; R67-D69 IonicContact CZ-OD1 2.93Å; R67-D69 IonicContact NE-OD1 3.37Å; R67-D69 IonicContact NH1-OD1 3.99Å; R67-D69 PolarHBondContact NH1-OD1 2.99Å; R67-S83 PolarHBondContact NH1-OG 2.97Å; R67-S83 PolarHBondContact NH2-OG 2.76Å; R67-Q85 HydrophobicContact CB-CG 4.32Å; R67-Q85 HydrophobicContact CG-CG 4.27Å; R67-Q85 VanDerWaalsContact NE-NE2 3.14Å |
| 68 | V | 92.3 | Very high | 82.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.4 | 162.3 | -170.2 | 0 | 0 | 0 | 0 | 108 | A61 A62 L70 S83 L84 I91 L94 L104 | A61-V68 HydrophobicContact CB-CG1 3.87Å; A62-V68 CarbonylContact O-C 3.59Å; A62-V68 WeakPolarHBondContact O-CA 3.35Å; V68-L70 HydrophobicContact CG1-CD2 4.39Å; V68-S83 CarbonylContact O-C 3.55Å; V68-S83 WeakPolarHBondContact O-CA 3.3Å; V68-L84 HydrophobicContact CB-CB 4.1Å; V68-L84 HydrophobicContact CB-CD1 4.1Å; V68-L84 HydrophobicContact CB-CG 4.41Å; V68-L84 HydrophobicContact CG1-CD1 4.35Å; V68-L84 PolarHBondContact N-O 3.3Å; V68-L84 PolarHBondContact O-N 3.04Å; V68-I91 HydrophobicContact CG2-CD1 3.5Å; V68-L94 HydrophobicContact CG1-CD1 3.86Å; V68-L94 HydrophobicContact CG1-CD2 4.31Å; V68-L94 HydrophobicContact CG2-CD2 3.72Å; V68-L104 HydrophobicContact CG1-CD2 3.98Å |
| 69 | D | 90.3 | Very high | 82.7 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.8 | 172.1 | -62.1 | -62.5 | 0 | 0 | 0 | 108.4 | A62 S64 R67 Y71 | A62-D69 PolarHBondContact N-O 2.79Å; A62-D69 PolarHBondContact O-N 2.86Å; S64-D69 VanDerWaalsContact CB-OD2 3.26Å; S64-D69 WeakPolarHBondContact CB-OD2 3.33Å; S64-D69 PolarHBondContact OG-OD2 3.4Å; R67-D69 WeakPolarHBondContact CD-OD1 3.23Å; R67-D69 IonicContact CZ-OD1 2.93Å; R67-D69 IonicContact NE-OD1 3.37Å; R67-D69 IonicContact NH1-OD1 3.99Å; R67-D69 PolarHBondContact NH1-OD1 2.99Å; D69-Y71 HydrophobicContact CB-CD2 4.41Å; D69-Y71 HydrophobicContact CB-CE2 3.61Å |
| 70 | L | 90.8 | Very high | 82.3 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.1 | 175 | -61.3 | 179.6 | 0 | 0 | 0 | 108.7 | A61 V68 H81 T82 L84 W96 L104 T118 | A61-L70 HydrophobicContact CB-CD2 3.57Å; V68-L70 HydrophobicContact CG1-CD2 4.39Å; L70-H81 PolarHBondContact O-N 3Å; L70-T82 WeakPolarHBondContact CD1-OG1 3.37Å; L70-T82 PolarHBondContact N-O 3.25Å; L70-T82 PolarHBondContact O-N 2.81Å; L70-L84 HydrophobicContact CD1-CD1 4.09Å; L70-L84 HydrophobicContact CD1-CD2 4.18Å; L70-L84 HydrophobicContact CD1-CG 4.13Å; L70-L84 HydrophobicContact CD2-CD1 4.31Å; L70-L84 HydrophobicContact CG-CD1 4.25Å; L70-L84 HydrophobicContact CG-CG 4.33Å; L70-W96 HydrophobicContact CD2-CH2 4.09Å; L70-W96 HydrophobicContact CD2-CZ2 4.13Å; L70-L104 HydrophobicContact CD2-CD2 4.15Å; L70-T118 HydrophobicContact CD1-CG2 3.76Å |
| 71 | Y | 86.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.7 | -174.7 | -64.7 | -75.8 | 0 | 0 | 0 | 110.3 | L22 M37 R39 I59 F60 A62 D69 E79 T80 | L22-Y71 HydrophobicContact CD1-CD2 4.38Å; L22-Y71 HydrophobicContact CD1-CE2 4.1Å; M37-Y71 HydrophobicContact CE-CD1 3.17Å; M37-Y71 HydrophobicContact CE-CE1 3.52Å; M37-Y71 HydrophobicContact CE-CG 4.1Å; M37-Y71 HydrophobicContact SD-CD1 4.06Å; M37-Y71 HydrophobicContact SD-CE1 4.44Å; R39-Y71 WeakPolarHBondContact CD-OH 3.06Å; R39-Y71 WeakPolarHBondContact CG-OH 3.44Å; R39-Y71 PolarHBondContact NE-OH 2.79Å; I59-Y71 VanDerWaalsContact CA-O 3.32Å; I59-Y71 WeakPolarHBondContact CA-O 3.47Å; F60-Y71 AromaticContact CD2-CD2 3.9Å; F60-Y71 HydrophobicContact CD2-CD2 3.9Å; F60-Y71 HydrophobicContact CD2-CG 4.41Å; F60-Y71 VanDerWaalsContact CE1-CB 3.43Å; F60-Y71 HydrophobicContact CE1-CG 4.29Å; F60-Y71 AromaticContact CE2-CD2 3.31Å; F60-Y71 HydrophobicContact CE2-CD2 3.31Å; F60-Y71 HydrophobicContact CE2-CE2 4.16Å; F60-Y71 AromaticContact CE2-CG 3.73Å; F60-Y71 HydrophobicContact CE2-CG 3.73Å; F60-Y71 AromaticContact CZ-CD2 3.76Å; F60-Y71 HydrophobicContact CZ-CD2 3.76Å; F60-Y71 AromaticContact CZ-CG 3.66Å; F60-Y71 HydrophobicContact CZ-CG 3.66Å; F60-Y71 PolarHBondContact N-O 3.17Å; F60-Y71 PolarHBondContact O-N 2.95Å; A62-Y71 HydrophobicContact CB-CD2 4.24Å; A62-Y71 HydrophobicContact CB-CE2 3.74Å; D69-Y71 HydrophobicContact CB-CD2 4.41Å; D69-Y71 HydrophobicContact CB-CE2 3.61Å; Y71-E79 WeakPolarHBondContact CA-O 3.38Å; Y71-T80 HydrophobicContact CD1-CG2 3.91Å; Y71-T80 HydrophobicContact CE1-CG2 3.38Å |
| 72 | S | 86.2 | Confident | 81.7 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.4 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 108.7 | G78 E79 | S72-G78 WeakPolarHBondContact O-CA 3.24Å; S72-E79 PolarHBondContact N-O 2.78Å; S72-E79 PolarHBondContact O-N 2.89Å |
| 73 | W | 80.3 | Confident | 81.7 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 103 | 179.7 | -174.6 | -92.5 | 0 | 0 | 0 | 110.4 | L24 R35 W50 H58 F60 G76 C77 | L24-W73 HydrophobicContact CD1-CE3 4.09Å; L24-W73 HydrophobicContact CD1-CH2 4.29Å; L24-W73 HydrophobicContact CD1-CZ3 3.83Å; L24-W73 HydrophobicContact CD2-CD2 3.43Å; L24-W73 VanDerWaalsContact CD2-CD2 3.43Å; L24-W73 HydrophobicContact CD2-CE3 3.53Å; L24-W73 HydrophobicContact CD2-CG 3.94Å; L24-W73 HydrophobicContact CD2-CH2 4.19Å; L24-W73 HydrophobicContact CD2-CZ2 4.08Å; L24-W73 HydrophobicContact CD2-CZ3 3.92Å; L24-W73 HydrophobicContact CG-CE3 4.45Å; L24-W73 HydrophobicContact CG-CZ3 4.44Å; R35-W73 HydrophobicContact CB-CH2 3.88Å; R35-W73 HydrophobicContact CB-CZ2 4.21Å; W50-W73 HydrophobicContact CH2-CB 3.75Å; W50-W73 HydrophobicContact CH2-CG 4.02Å; W50-W73 HydrophobicContact CZ3-CB 4.11Å; H58-W73 WeakPolarHBondContact CB-O 3.38Å; H58-W73 PolarHBondContact O-N 3.28Å; F60-W73 HydrophobicContact CE1-CB 4.38Å; W73-G76 VanDerWaalsContact CH2-O 3.26Å; W73-G76 WeakPolarHBondContact CH2-O 3.33Å; W73-G76 WeakPolarHBondContact CZ2-O 3.29Å; W73-C77 WeakPolarHBondContact CA-O 3.48Å |
| 74 | R | 76.6 | Confident | 82 | Confident | 132 Ų | 132 | 50.5 Ų | 50.5 | 50% | 0.498 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.9 | 179.7 | -67.3 | -178.3 | 178.3 | -98 | 6.8 | 109.3 | H58 G76 C77 | H58-R74 HydrophobicContact CB-CG 4.1Å; H58-R74 PolarHBondContact CD2-NE 3.28Å; H58-R74 PolarHBondContact CD2-NH2 3.44Å; H58-R74 PolarHBondContact CE1-NH2 3.09Å; H58-R74 PolarHBondContact ND1-NH2 3.42Å; H58-R74 PolarHBondContact NE2-NH2 3.34Å; R74-G76 PolarHBondContact O-N 2.83Å; R74-C77 PolarHBondContact N-O 2.81Å; R74-C77 PolarHBondContact O-N 2.86Å; R74-C77 PolarHBondContact O-SG 2.81Å |
| 75 | D | 66.6 | Low | 82.2 | Confident | 133 Ų | 133 | 55.9 Ų | 55.9 | 71% | 0.711 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 18.3 | 171.3 | -50.5 | -45.7 | 0 | 0 | 0 | 116.1 | M1 | M1-D75 WeakPolarHBondContact CE-OD1 3.41Š|
| 76 | G | 64.7 | Low | 82.2 | Confident | 25 Ų | 25 | 56 Ų | 56 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -1.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | W73 R74 | W73-G76 VanDerWaalsContact CH2-O 3.26Å; W73-G76 WeakPolarHBondContact CH2-O 3.33Å; W73-G76 WeakPolarHBondContact CZ2-O 3.29Å; R74-G76 PolarHBondContact O-N 2.83Å |
| 77 | C | 63.4 | Low | 82.3 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 47% | 0.473 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 154.1 | 168.2 | 63.8 | 0 | 0 | 0 | 0 | 111 | W73 R74 | W73-C77 WeakPolarHBondContact CA-O 3.48Å; R74-C77 PolarHBondContact N-O 2.81Å; R74-C77 PolarHBondContact O-N 2.86Å; R74-C77 PolarHBondContact O-SG 2.81Å |
| 78 | G | 68 | Low | 82.4 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | M37 S72 | M37-G78 WeakPolarHBondContact CE-O 3.39Å; S72-G78 WeakPolarHBondContact O-CA 3.24Å |
| 79 | E | 75.6 | Confident | 82.4 | Confident | 137 Ų | 137 | 59.8 Ų | 59.8 | 64% | 0.64 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147 | 178 | -64.3 | -168.1 | 157 | 0 | 0 | 111.1 | Y71 S72 H81 | Y71-E79 WeakPolarHBondContact CA-O 3.38Å; S72-E79 PolarHBondContact N-O 2.78Å; S72-E79 PolarHBondContact O-N 2.89Å; E79-H81 PolarHBondContact O-N 2.97Å |
| 80 | T | 77.9 | Confident | 82.4 | Confident | 88 Ų | 88 | 63 Ų | 63 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 107.6 | 166.9 | 43.9 | 0 | 0 | 0 | 0 | 108.7 | Y71 | Y71-T80 HydrophobicContact CD1-CG2 3.91Å; Y71-T80 HydrophobicContact CE1-CG2 3.38Å |
| 81 | H | 77.4 | Confident | 82.5 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -57 | 178.4 | 178.8 | -102.4 | 0 | 0 | 0 | 110.6 | L70 E79 | L70-H81 PolarHBondContact O-N 3Å; E79-H81 PolarHBondContact O-N 2.97Å |
| 82 | T | 86.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 169.4 | -177.6 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | L70 T121 | L70-T82 WeakPolarHBondContact CD1-OG1 3.37Å; L70-T82 PolarHBondContact N-O 3.25Å; L70-T82 PolarHBondContact O-N 2.81Å; T82-T121 HydrophobicContact CG2-CG2 4.04Å |
| 83 | S | 89.9 | Confident | 83 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.5 | 176 | 64 | 0 | 0 | 0 | 0 | 112.3 | R67 V68 | R67-S83 PolarHBondContact NH1-OG 2.97Å; R67-S83 PolarHBondContact NH2-OG 2.76Å; V68-S83 CarbonylContact O-C 3.55Å; V68-S83 WeakPolarHBondContact O-CA 3.3Å |
| 84 | L | 92.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.3 | 179.1 | -47.4 | 170.5 | 0 | 0 | 0 | 108.8 | V68 L70 L104 W116 T121 | V68-L84 HydrophobicContact CB-CB 4.1Å; V68-L84 HydrophobicContact CB-CD1 4.1Å; V68-L84 HydrophobicContact CB-CG 4.41Å; V68-L84 HydrophobicContact CG1-CD1 4.35Å; V68-L84 PolarHBondContact N-O 3.3Å; V68-L84 PolarHBondContact O-N 3.04Å; L70-L84 HydrophobicContact CD1-CD1 4.09Å; L70-L84 HydrophobicContact CD1-CD2 4.18Å; L70-L84 HydrophobicContact CD1-CG 4.13Å; L70-L84 HydrophobicContact CD2-CD1 4.31Å; L70-L84 HydrophobicContact CG-CD1 4.25Å; L70-L84 HydrophobicContact CG-CG 4.33Å; L84-L104 HydrophobicContact CD1-CD2 3.81Å; L84-W116 HydrophobicContact CB-CD2 3.89Å; L84-W116 HydrophobicContact CB-CE3 3.88Å; L84-W116 HydrophobicContact CB-CG 4.47Å; L84-W116 HydrophobicContact CB-CH2 4.29Å; L84-W116 HydrophobicContact CB-CZ2 4.29Å; L84-W116 HydrophobicContact CB-CZ3 4.07Å; L84-W116 HydrophobicContact CD1-CB 3.84Å; L84-W116 HydrophobicContact CD1-CD2 3.99Å; L84-W116 HydrophobicContact CD1-CE3 4.48Å; L84-W116 HydrophobicContact CD1-CG 3.66Å; L84-W116 HydrophobicContact CD2-CB 4.34Å; L84-W116 HydrophobicContact CD2-CD2 4.19Å; L84-W116 HydrophobicContact CD2-CE3 3.85Å; L84-W116 HydrophobicContact CD2-CG 4.41Å; L84-W116 HydrophobicContact CG-CD2 4.24Å; L84-W116 HydrophobicContact CG-CE3 4.28Å; L84-W116 HydrophobicContact CG-CG 4.4Å; L84-T121 HydrophobicContact CD2-CG2 3.69Å |
| 85 | Q | 91.3 | Very high | 84.5 | Confident | 116 Ų | 116 | 56.9 Ų | 56.9 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.6 | -179.9 | -67.3 | -171.8 | -64.5 | 0 | 0 | 110.3 | R67 W116 | R67-Q85 HydrophobicContact CB-CG 4.32Å; R67-Q85 HydrophobicContact CG-CG 4.27Å; R67-Q85 VanDerWaalsContact NE-NE2 3.14Å; Q85-W116 WeakPolarHBondContact O-CH2 3.38Å |
| 86 | G | 87.7 | Confident | 85.7 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | trans | 178.6 | -29.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 87 | H | 92.5 | Very high | 87.1 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | trans | -66.4 | 142.3 | 173.4 | -76.4 | -60.9 | 0 | 0 | 0 | 111.8 | I91 S106 S108 D110 Y112 Y114 | H87-I91 HydrophobicContact CB-CD1 4.46Å; H87-I91 HydrophobicContact CB-CG1 4.09Å; H87-S106 PolarHBondContact CD2-OG 2.91Å; H87-S106 PolarHBondContact NE2-OG 2.75Å; H87-S108 WeakPolarHBondContact CE1-CB 3.49Å; H87-S108 WeakPolarHBondContact ND1-CB 3.33Å; H87-D110 WeakPolarHBondContact CA-OD2 3.39Å; H87-D110 VanDerWaalsContact CB-OD2 3.23Å; H87-D110 WeakPolarHBondContact CB-OD2 3.08Å; H87-D110 IonicContact CE1-OD1 2.85Å; H87-D110 IonicContact CG-OD2 3.93Å; H87-D110 IonicContact ND1-OD1 3.54Å; H87-D110 PolarHBondContact ND1-OD1 3.19Å; H87-D110 IonicContact ND1-OD2 3.05Å; H87-D110 PolarHBondContact ND1-OD2 2.86Å; H87-Y112 PolarHBondContact CE1-O 2.97Å; H87-Y114 AromaticContact CD2-CD2 3.69Å; H87-Y114 AromaticContact CE1-CD2 3.22Å; H87-Y114 WeakPolarHBondContact CE1-CD2 3.27Å; H87-Y114 AromaticContact CE1-CE2 3.61Å; H87-Y114 AromaticContact CE1-CG 3.91Å; H87-Y114 AromaticContact CG-CD2 3.76Å; H87-Y114 AromaticContact CG-CE2 3.81Å; H87-Y114 AromaticContact ND1-CD2 3.46Å; H87-Y114 WeakPolarHBondContact ND1-CD2 3.16Å; H87-Y114 AromaticContact ND1-CE2 3.38Å; H87-Y114 WeakPolarHBondContact ND1-CE2 3.46Å; H87-Y114 AromaticContact NE2-CD2 3.38Å; H87-Y114 WeakPolarHBondContact NE2-CD2 3.37Å | ||
| 88 | T | 92.3 | Very high | 88.3 | Confident | 92 Ų | 92 | 51.3 Ų | 51.3 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -100.2 | -8 | 179.6 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | Q66 D110 | Q66-T88 PolarHBondContact NE2-O 3.45Å; T88-D110 PolarHBondContact N-OD2 3.43Å; T88-D110 WeakPolarHBondContact OG1-CB 3.41Å |
| 89 | R | 92.7 | Very high | 89.4 | Confident | 147 Ų | 147 | 54.5 Ų | 54.5 | 56% | 0.555 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -136.2 | 179.2 | 175.9 | -62.7 | -173.8 | 179.9 | -143 | -2 | 111.1 | Q66 I91 S108 V109 D110 | Q66-R89 WeakPolarHBondContact CG-O 3.42Å; R89-I91 PolarHBondContact O-N 2.75Å; R89-S108 PolarHBondContact O-OG 3.22Å; R89-V109 HydrophobicContact CB-CB 4.17Å; R89-D110 HydrophobicContact CB-CB 3.89Å; R89-D110 HydrophobicContact CG-CB 3.89Å; R89-D110 PolarHBondContact N-OD2 3.24Å |
| 90 | V | 90.9 | Very high | 90.2 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | trans | -56.6 | 128.6 | -179.8 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | N65 S108 V109 | N65-V90 WeakPolarHBondContact O-CA 3.24Å; N65-V90 WeakPolarHBondContact OD1-CG2 3.34Å; V90-S108 WeakPolarHBondContact O-CA 3.33Å; V90-S108 PolarHBondContact O-OG 3.02Å; V90-V109 PolarHBondContact O-N 2.61Å; V90-V109 VanDerWaalsContact O-N 3.1Å | ||
| 91 | I | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.5 | 170.9 | -61.6 | 178.3 | 0 | 0 | 0 | 108.5 | N65 V68 H87 R89 L94 S107 | N65-I91 WeakPolarHBondContact O-CG1 3.46Å; N65-I91 PolarHBondContact O-N 3.26Å; V68-I91 HydrophobicContact CG2-CD1 3.5Å; H87-I91 HydrophobicContact CB-CD1 4.46Å; H87-I91 HydrophobicContact CB-CG1 4.09Å; R89-I91 PolarHBondContact O-N 2.75Å; I91-L94 HydrophobicContact CG2-CD2 3.97Å; I91-L94 HydrophobicContact CG2-CG 4.45Å; I91-S107 CarbonylContact C-O 3.49Å; I91-S107 VanDerWaalsContact CA-O 3.29Å; I91-S107 WeakPolarHBondContact CA-O 3.46Å; I91-S107 WeakPolarHBondContact CG2-O 3.27Å |
| 92 | S | 91 | Very high | 91.5 | Very high | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -42.6 | -176.1 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | S107 A134 A135 | S92-S107 PolarHBondContact N-O 3.33Å; S92-A134 VanDerWaalsContact CB-O 3.23Å; S92-A134 WeakPolarHBondContact CB-O 3.36Å; S92-A134 PolarHBondContact OG-O 2.83Å; S92-A135 WeakPolarHBondContact CB-O 3.35Å |
| 93 | D | 91.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 157.6 | -174.4 | -168 | 26.6 | 0 | 0 | 0 | 112.1 | S107 V137 K138 | D93-S107 WeakPolarHBondContact CB-OG 3.15Å; D93-S107 PolarHBondContact N-OG 3.33Å; D93-S107 PolarHBondContact O-N 3.5Å; D93-S107 PolarHBondContact O-OG 3.31Å; D93-S107 VanDerWaalsContact O-OG 3.1Å; D93-V137 HydrophobicContact CB-CG1 4.38Å; D93-V137 PolarHBondContact OD2-N 3.18Å; D93-V137 VanDerWaalsContact OD2-O 3.14Å; D93-K138 IonicContact OD1-NZ 2.69Å; D93-K138 WeakPolarHBondContact OD2-CE 3.3Å; D93-K138 IonicContact OD2-NZ 3.33Å; D93-K138 PolarHBondContact OD2-NZ 2.93Å |
| 94 | L | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.6 | -179.2 | -65.8 | -179.9 | 0 | 0 | 0 | 110.2 | T47 Q49 A61 V68 I91 L104 V105 S106 K138 | T47-L94 HydrophobicContact CG2-CB 4Å; T47-L94 HydrophobicContact CG2-CD1 3.97Å; T47-L94 HydrophobicContact CG2-CG 3.66Å; Q49-L94 HydrophobicContact CG-CB 4.2Å; A61-L94 HydrophobicContact CB-CD1 4.06Å; V68-L94 HydrophobicContact CG1-CD1 3.86Å; V68-L94 HydrophobicContact CG1-CD2 4.31Å; V68-L94 HydrophobicContact CG2-CD2 3.72Å; I91-L94 HydrophobicContact CG2-CD2 3.97Å; I91-L94 HydrophobicContact CG2-CG 4.45Å; L94-L104 HydrophobicContact CD2-CD2 4.49Å; L94-V105 WeakPolarHBondContact CA-O 3.41Å; L94-S106 VanDerWaalsContact CD2-CB 3.43Å; L94-K138 PolarHBondContact O-NZ 2.9Å |
| 95 | D | 94.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 137.5 | 171.6 | -147.3 | 53.7 | 0 | 0 | 0 | 112.2 | L104 V105 K138 W139 | D95-L104 WeakPolarHBondContact O-CD1 3.44Å; D95-V105 HydrophobicContact CB-CG1 3.78Å; D95-V105 PolarHBondContact N-O 2.8Å; D95-V105 WeakPolarHBondContact O-CG1 3.38Å; D95-V105 PolarHBondContact O-N 2.89Å; D95-K138 HydrophobicContact CB-CD 4.47Å; D95-K138 WeakPolarHBondContact OD1-CD 3.47Å; D95-K138 IonicContact OD1-NZ 3.04Å; D95-K138 PolarHBondContact OD1-NZ 2.83Å; D95-K138 WeakPolarHBondContact OD2-CA 3.5Å; D95-W139 PolarHBondContact O-NE1 3.39Å; D95-W139 PolarHBondContact OD2-N 2.8Å |
| 96 | W | 93.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 147.7 | 173 | -69.5 | 99.6 | 0 | 0 | 0 | 111 | Q49 W50 N51 P52 I59 A61 L70 L104 T118 W139 | Q49-W96 PolarHBondContact O-NE1 3.38Å; W50-W96 PolarHBondContact O-NE1 3.07Å; N51-W96 HydrophobicContact CB-CD2 4.19Å; N51-W96 HydrophobicContact CB-CZ2 4.33Å; P52-W96 VanDerWaalsContact CD-CB 3.43Å; P52-W96 HydrophobicContact CG-CB 4.11Å; I59-W96 HydrophobicContact CG2-CH2 4.11Å; I59-W96 HydrophobicContact CG2-CZ2 4.19Å; A61-W96 HydrophobicContact CB-CZ2 3.86Å; L70-W96 HydrophobicContact CD2-CH2 4.09Å; L70-W96 HydrophobicContact CD2-CZ2 4.13Å; W96-L104 HydrophobicContact CD2-CB 4.35Å; W96-L104 HydrophobicContact CD2-CD1 3.62Å; W96-L104 HydrophobicContact CE3-CB 3.93Å; W96-L104 HydrophobicContact CE3-CD1 4.09Å; W96-L104 HydrophobicContact CG-CD1 3.86Å; W96-L104 HydrophobicContact CH2-CB 4.4Å; W96-L104 HydrophobicContact CZ2-CD1 4.19Å; W96-L104 HydrophobicContact CZ3-CB 3.96Å; W96-T118 HydrophobicContact CH2-CG2 3.75Å; W96-T118 HydrophobicContact CZ3-CG2 3.68Å; W96-W139 VanDerWaalsContact O-CD1 3.25Å |
| 97 | S | 93 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | trans | -67.4 | 133.1 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | H53 F99 D100 L103 | H53-S97 PolarHBondContact NE2-O 2.86Å; S97-F99 PolarHBondContact O-N 2.81Å; S97-F99 PolarHBondContact OG-N 3.45Å; S97-D100 WeakPolarHBondContact CB-O 3.48Å; S97-D100 PolarHBondContact OG-N 2.99Å; S97-D100 VanDerWaalsContact OG-N 3.11Å; S97-L103 PolarHBondContact N-O 2.74Å | ||
| 98 | W | 89 | Confident | 92.9 | Very high | 103 Ų | 103 | 34.9 Ų | 34.9 | 39% | 0.39 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -71 | -11.8 | 176.3 | -70.7 | 88.9 | 0 | 0 | 0 | 113.8 | P52 H53 R141 | P52-W98 HydrophobicContact CB-CE3 4.48Å; P52-W98 HydrophobicContact CB-CZ3 4.26Å; H53-W98 PolarHBondContact CE1-O 2.78Å; W98-R141 HydrophobicContact CD2-CG 4.26Å; W98-R141 HydrophobicContact CG-CG 4.26Å |
| 99 | F | 91.3 | Very high | 93 | Very high | 89 Ų | 89 | 34 Ų | 34 | 39% | 0.39 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -118.3 | -33.4 | -174.1 | -61.3 | -86.7 | 0 | 0 | 0 | 113.4 | S97 R141 R142 P144 | S97-F99 PolarHBondContact O-N 2.81Å; S97-F99 PolarHBondContact OG-N 3.45Å; F99-R141 WeakPolarHBondContact CZ-O 3.46Å; F99-R142 WeakPolarHBondContact CZ-O 3.41Å; F99-P144 HydrophobicContact CB-CB 3.84Å; F99-P144 HydrophobicContact CD1-CB 4.29Å; F99-P144 VanDerWaalsContact CD2-CA 3.5Å; F99-P144 HydrophobicContact CD2-CB 3.66Å; F99-P144 HydrophobicContact CE2-CB 4.27Å; F99-P144 HydrophobicContact CG-CB 3.66Å |
| 100 | D | 92 | Very high | 92.9 | Very high | 56 Ų | 56 | 27.5 Ų | 27.5 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | trans | -113.8 | 109.9 | -177.4 | -58.1 | -63.6 | 0 | 0 | 0 | 109.1 | S97 E102 L103 K160 | S97-D100 WeakPolarHBondContact CB-O 3.48Å; S97-D100 PolarHBondContact OG-N 2.99Å; S97-D100 VanDerWaalsContact OG-N 3.11Å; D100-E102 PolarHBondContact O-N 2.72Å; D100-E102 VanDerWaalsContact O-N 3.16Å; D100-L103 HydrophobicContact CB-CB 4.03Å; D100-L103 HydrophobicContact CB-CD1 3.77Å; D100-L103 HydrophobicContact CB-CG 3.71Å; D100-L103 PolarHBondContact O-N 3.05Å; D100-L103 WeakPolarHBondContact OD2-CD1 3.4Å; D100-K160 IonicContact OD2-NZ 3.02Å; D100-K160 PolarHBondContact OD2-NZ 2.96Å | ||
| 101 | P | 90.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 25.8 Ų | 25.8 | 22% | 0.221 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.4 | -176.8 | 23.1 | -33.2 | 0 | 0 | 0 | 113.2 | N51 H53 Q56 L103 | N51-P101 PolarHBondContact ND2-O 2.97Å; H53-P101 HydrophobicContact CB-CB 3.86Å; H53-P101 VanDerWaalsContact CD2-CA 3.44Å; H53-P101 WeakPolarHBondContact CD2-CA 3.29Å; Q56-P101 HydrophobicContact CG-CB 4.3Å; Q56-P101 PolarHBondContact OE1-O 3.48Å; P101-L103 VanDerWaalsContact C-N 3.35Å |
| 102 | E | 92.1 | Very high | 93 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -7 | -176.3 | -47.5 | -64.5 | 165.6 | 0 | 0 | 113.9 | Q56 D100 D117 T118 R119 | Q56-E102 PolarHBondContact NE2-OE1 2.96Å; Q56-E102 PolarHBondContact NE2-OE2 3.28Å; D100-E102 PolarHBondContact O-N 2.72Å; D100-E102 VanDerWaalsContact O-N 3.16Å; E102-D117 WeakPolarHBondContact O-CA 3.4Å; E102-T118 WeakPolarHBondContact CA-OG1 3.19Å; E102-T118 VanDerWaalsContact CB-OG1 3.26Å; E102-T118 WeakPolarHBondContact CB-OG1 3.21Å; E102-T118 PolarHBondContact O-N 3.1Å; E102-T118 PolarHBondContact O-OG1 2.94Å; E102-T118 PolarHBondContact OE2-OG1 3.38Å; E102-R119 HydrophobicContact CB-CG 4.33Å; E102-R119 HydrophobicContact CG-CG 4.02Å |
| 103 | L | 94.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 28.4 Ų | 28.4 | 12% | 0.12 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.5 | -174 | -64.1 | -172.8 | 0 | 0 | 0 | 112.6 | S97 D100 P101 I115 W116 D117 K160 | S97-L103 PolarHBondContact N-O 2.74Å; D100-L103 HydrophobicContact CB-CB 4.03Å; D100-L103 HydrophobicContact CB-CD1 3.77Å; D100-L103 HydrophobicContact CB-CG 3.71Å; D100-L103 PolarHBondContact O-N 3.05Å; D100-L103 WeakPolarHBondContact OD2-CD1 3.4Å; P101-L103 VanDerWaalsContact C-N 3.35Å; L103-I115 HydrophobicContact CD2-CG2 4.33Å; L103-W116 WeakPolarHBondContact CA-O 3.39Å; L103-W116 WeakPolarHBondContact CD2-O 2.96Å; L103-D117 HydrophobicContact CD2-CB 4.17Å; L103-K160 HydrophobicContact CD1-CD 4.5Å |
| 104 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135 | 171.5 | -178.8 | 75.3 | 0 | 0 | 0 | 109.4 | A61 V68 L70 L84 L94 D95 W96 W116 | A61-L104 HydrophobicContact CB-CD1 4.13Å; A61-L104 HydrophobicContact CB-CD2 3.74Å; V68-L104 HydrophobicContact CG1-CD2 3.98Å; L70-L104 HydrophobicContact CD2-CD2 4.15Å; L84-L104 HydrophobicContact CD1-CD2 3.81Å; L94-L104 HydrophobicContact CD2-CD2 4.49Å; D95-L104 WeakPolarHBondContact O-CD1 3.44Å; W96-L104 HydrophobicContact CD2-CB 4.35Å; W96-L104 HydrophobicContact CD2-CD1 3.62Å; W96-L104 HydrophobicContact CE3-CB 3.93Å; W96-L104 HydrophobicContact CE3-CD1 4.09Å; W96-L104 HydrophobicContact CG-CD1 3.86Å; W96-L104 HydrophobicContact CH2-CB 4.4Å; W96-L104 HydrophobicContact CZ2-CD1 4.19Å; W96-L104 HydrophobicContact CZ3-CB 3.96Å; L104-W116 PolarHBondContact N-O 3.42Å; L104-W116 VanDerWaalsContact N-O 3.14Å; L104-W116 PolarHBondContact O-N 3.06Å |
| 105 | V | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.5 | 168 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | L94 D95 I113 Y114 I115 V137 W139 L147 | L94-V105 WeakPolarHBondContact CA-O 3.41Å; D95-V105 HydrophobicContact CB-CG1 3.78Å; D95-V105 PolarHBondContact N-O 2.8Å; D95-V105 WeakPolarHBondContact O-CG1 3.38Å; D95-V105 PolarHBondContact O-N 2.89Å; V105-I113 HydrophobicContact CG2-CG2 3.4Å; V105-Y114 CarbonylContact C-O 3.6Å; V105-Y114 WeakPolarHBondContact CA-O 3.37Å; V105-Y114 WeakPolarHBondContact CG2-O 3.34Å; V105-I115 HydrophobicContact CG2-CG1 4.13Å; V105-V137 HydrophobicContact CB-CG2 4.46Å; V105-V137 HydrophobicContact CG1-CB 4.45Å; V105-V137 HydrophobicContact CG1-CG1 3.89Å; V105-V137 HydrophobicContact CG1-CG2 3.73Å; V105-V137 HydrophobicContact CG2-CG1 4.47Å; V105-V137 HydrophobicContact CG2-CG2 3.82Å; V105-W139 HydrophobicContact CB-CZ2 4.33Å; V105-L147 HydrophobicContact CG2-CD2 4.2Å |
| 106 | S | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.8 | 171.4 | 65 | 0 | 0 | 0 | 0 | 111.2 | H87 L94 I113 Y114 W116 | H87-S106 PolarHBondContact CD2-OG 2.91Å; H87-S106 PolarHBondContact NE2-OG 2.75Å; L94-S106 VanDerWaalsContact CD2-CB 3.43Å; S106-I113 CarbonylContact O-C 3.53Å; S106-I113 VanDerWaalsContact O-CA 3.28Å; S106-I113 WeakPolarHBondContact O-CA 3.11Å; S106-Y114 PolarHBondContact N-O 3.45Å; S106-Y114 PolarHBondContact O-N 3.48Å; S106-W116 PolarHBondContact OG-NE1 2.88Å |
| 107 | S | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 146 | 179 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | I91 S92 D93 V137 | I91-S107 CarbonylContact C-O 3.49Å; I91-S107 VanDerWaalsContact CA-O 3.29Å; I91-S107 WeakPolarHBondContact CA-O 3.46Å; I91-S107 WeakPolarHBondContact CG2-O 3.27Å; S92-S107 PolarHBondContact N-O 3.33Å; D93-S107 WeakPolarHBondContact CB-OG 3.15Å; D93-S107 PolarHBondContact N-OG 3.33Å; D93-S107 PolarHBondContact O-N 3.5Å; D93-S107 PolarHBondContact O-OG 3.31Å; D93-S107 VanDerWaalsContact O-OG 3.1Å; S107-V137 WeakPolarHBondContact OG-CG1 3.48Å |
| 108 | S | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.8 | -172.2 | 172.9 | 0 | 0 | 0 | 0 | 113.6 | H87 R89 V90 D110 T111 Y112 A134 | H87-S108 WeakPolarHBondContact CE1-CB 3.49Å; H87-S108 WeakPolarHBondContact ND1-CB 3.33Å; R89-S108 PolarHBondContact O-OG 3.22Å; V90-S108 WeakPolarHBondContact O-CA 3.33Å; V90-S108 PolarHBondContact O-OG 3.02Å; S108-D110 VanDerWaalsContact CB-OD1 3.24Å; S108-D110 WeakPolarHBondContact CB-OD1 3.38Å; S108-D110 PolarHBondContact O-N 3.34Å; S108-D110 PolarHBondContact OG-N 3.02Å; S108-D110 VanDerWaalsContact OG-N 3.14Å; S108-D110 PolarHBondContact OG-OD1 3.18Å; S108-D110 PolarHBondContact OG-OD2 3.12Å; S108-T111 PolarHBondContact O-N 3.4Å; S108-Y112 PolarHBondContact N-O 3.2Å; S108-A134 PolarHBondContact O-N 2.86Å |
| 109 | V | 93.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 34.1 Ų | 34.1 | 44% | 0.436 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -8.9 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | R89 V90 T111 | R89-V109 HydrophobicContact CB-CB 4.17Å; V90-V109 PolarHBondContact O-N 2.61Å; V90-V109 VanDerWaalsContact O-N 3.1Å; V109-T111 PolarHBondContact O-N 3.32Å |
| 110 | D | 90.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 6.9 | 172.8 | 60.5 | 31.7 | 0 | 0 | 0 | 115.1 | H87 T88 R89 S108 Y112 | H87-D110 WeakPolarHBondContact CA-OD2 3.39Å; H87-D110 VanDerWaalsContact CB-OD2 3.23Å; H87-D110 WeakPolarHBondContact CB-OD2 3.08Å; H87-D110 IonicContact CE1-OD1 2.85Å; H87-D110 IonicContact CG-OD2 3.93Å; H87-D110 IonicContact ND1-OD1 3.54Å; H87-D110 PolarHBondContact ND1-OD1 3.19Å; H87-D110 IonicContact ND1-OD2 3.05Å; H87-D110 PolarHBondContact ND1-OD2 2.86Å; T88-D110 PolarHBondContact N-OD2 3.43Å; T88-D110 WeakPolarHBondContact OG1-CB 3.41Å; R89-D110 HydrophobicContact CB-CB 3.89Å; R89-D110 HydrophobicContact CG-CB 3.89Å; R89-D110 PolarHBondContact N-OD2 3.24Å; S108-D110 VanDerWaalsContact CB-OD1 3.24Å; S108-D110 WeakPolarHBondContact CB-OD1 3.38Å; S108-D110 PolarHBondContact O-N 3.34Å; S108-D110 PolarHBondContact OG-N 3.02Å; S108-D110 VanDerWaalsContact OG-N 3.14Å; S108-D110 PolarHBondContact OG-OD1 3.18Å; S108-D110 PolarHBondContact OG-OD2 3.12Å; D110-Y112 WeakPolarHBondContact O-CD2 3.28Å; D110-Y112 PolarHBondContact O-N 2.96Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.48Å; D110-Y112 PolarHBondContact OD1-N 2.71Å |
| 111 | T | 92.7 | Very high | 93.4 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 70.8 | -0.3 | -178.2 | 95 | 0 | 0 | 0 | 0 | 115.7 | S108 V109 A130 | S108-T111 PolarHBondContact O-N 3.4Å; V109-T111 PolarHBondContact O-N 3.32Å; T111-A130 WeakPolarHBondContact CB-O 3.49Å; T111-A130 PolarHBondContact O-N 3.44Å; T111-A130 PolarHBondContact OG1-O 2.92Å |
| 112 | Y | 94.4 | Very high | 93.2 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 38% | 0.376 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 150.2 | 170.9 | -67.3 | -87.7 | 0 | 0 | 0 | 112.5 | H87 S108 D110 Y114 L128 | H87-Y112 PolarHBondContact CE1-O 2.97Å; S108-Y112 PolarHBondContact N-O 3.2Å; D110-Y112 WeakPolarHBondContact O-CD2 3.28Å; D110-Y112 PolarHBondContact O-N 2.96Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.48Å; D110-Y112 PolarHBondContact OD1-N 2.71Å; Y112-Y114 AromaticContact CD1-CE1 3.96Å; Y112-Y114 HydrophobicContact CD1-CE1 3.96Å; Y112-Y114 HydrophobicContact CG-CE1 4.05Å; Y112-Y114 AromaticContact CG-CZ 3.92Å; Y112-L128 WeakPolarHBondContact CA-O 3.39Å |
| 113 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.2 | 166.5 | -61.7 | 142 | 0 | 0 | 0 | 105.6 | V105 S106 L128 A134 V137 L147 S149 | V105-I113 HydrophobicContact CG2-CG2 3.4Å; S106-I113 CarbonylContact O-C 3.53Å; S106-I113 VanDerWaalsContact O-CA 3.28Å; S106-I113 WeakPolarHBondContact O-CA 3.11Å; I113-L128 HydrophobicContact CB-CB 4.2Å; I113-L128 HydrophobicContact CG2-CD1 4.33Å; I113-L128 PolarHBondContact N-O 2.98Å; I113-L128 PolarHBondContact O-N 2.96Å; I113-A134 HydrophobicContact CD1-CB 4.19Å; I113-A134 HydrophobicContact CG1-CB 3.84Å; I113-V137 HydrophobicContact CG2-CG2 4.05Å; I113-L147 HydrophobicContact CG2-CD1 4.48Å; I113-S149 VanDerWaalsContact CD1-CB 3.42Å; I113-S149 VanDerWaalsContact CD1-OG 3.23Å; I113-S149 WeakPolarHBondContact CD1-OG 3.08Å |
| 114 | Y | 96.6 | Very high | 93 | Very high | 27 Ų | 27 | 43 Ų | 43 | 11% | 0.106 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.5 | -176.8 | -70.3 | -39.2 | 0 | 0 | 0 | 110.5 | H87 V105 S106 Y112 W116 P124 A127 | H87-Y114 AromaticContact CD2-CD2 3.69Å; H87-Y114 AromaticContact CE1-CD2 3.22Å; H87-Y114 WeakPolarHBondContact CE1-CD2 3.27Å; H87-Y114 AromaticContact CE1-CE2 3.61Å; H87-Y114 AromaticContact CE1-CG 3.91Å; H87-Y114 AromaticContact CG-CD2 3.76Å; H87-Y114 AromaticContact CG-CE2 3.81Å; H87-Y114 AromaticContact ND1-CD2 3.46Å; H87-Y114 WeakPolarHBondContact ND1-CD2 3.16Å; H87-Y114 AromaticContact ND1-CE2 3.38Å; H87-Y114 WeakPolarHBondContact ND1-CE2 3.46Å; H87-Y114 AromaticContact NE2-CD2 3.38Å; H87-Y114 WeakPolarHBondContact NE2-CD2 3.37Å; V105-Y114 CarbonylContact C-O 3.6Å; V105-Y114 WeakPolarHBondContact CA-O 3.37Å; V105-Y114 WeakPolarHBondContact CG2-O 3.34Å; S106-Y114 PolarHBondContact N-O 3.45Å; S106-Y114 PolarHBondContact O-N 3.48Å; Y112-Y114 AromaticContact CD1-CE1 3.96Å; Y112-Y114 HydrophobicContact CD1-CE1 3.96Å; Y112-Y114 HydrophobicContact CG-CE1 4.05Å; Y112-Y114 AromaticContact CG-CZ 3.92Å; Y114-W116 AromaticContact CD2-CZ2 3.8Å; Y114-W116 HydrophobicContact CD2-CZ2 3.8Å; Y114-W116 HydrophobicContact CG-CZ2 4.15Å; Y114-P124 HydrophobicContact CD1-CB 3.87Å; Y114-P124 HydrophobicContact CD1-CG 3.73Å; Y114-P124 HydrophobicContact CE1-CG 4.15Å; Y114-P124 HydrophobicContact CG-CB 3.88Å; Y114-P124 HydrophobicContact CG-CG 4.01Å; Y114-A127 HydrophobicContact CD1-CB 3.76Å; Y114-A127 HydrophobicContact CE1-CB 3.62Å |
| 115 | I | 96.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.7 | 167.5 | -50.7 | 174 | 0 | 0 | 0 | 107.1 | L103 V105 P124 T125 V126 L128 W139 L147 K160 | L103-I115 HydrophobicContact CD2-CG2 4.33Å; V105-I115 HydrophobicContact CG2-CG1 4.13Å; I115-P124 CarbonylContact O-C 3.59Å; I115-T125 PolarHBondContact O-N 3.07Å; I115-V126 HydrophobicContact CB-CB 4.01Å; I115-V126 HydrophobicContact CD1-CB 3.97Å; I115-V126 HydrophobicContact CD1-CG1 4.25Å; I115-V126 HydrophobicContact CD1-CG2 4.34Å; I115-V126 HydrophobicContact CG1-CB 4.2Å; I115-V126 PolarHBondContact N-O 3.17Å; I115-V126 PolarHBondContact O-N 3.21Å; I115-L128 HydrophobicContact CD1-CD1 4.35Å; I115-W139 HydrophobicContact CD1-CH2 3.89Å; I115-W139 HydrophobicContact CD1-CZ2 4.2Å; I115-W139 HydrophobicContact CG1-CZ2 4.32Å; I115-W139 HydrophobicContact CG2-CH2 4.32Å; I115-W139 HydrophobicContact CG2-CZ2 3.9Å; I115-L147 HydrophobicContact CD1-CD2 3.77Å; I115-L147 HydrophobicContact CG1-CD2 4.17Å; I115-K160 HydrophobicContact CD1-CB 3.76Å |
| 116 | W | 95.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 144.3 | 179.4 | -56.7 | 91.5 | 0 | 0 | 0 | 109.9 | L84 Q85 L103 L104 S106 Y114 K123 P124 | L84-W116 HydrophobicContact CB-CD2 3.89Å; L84-W116 HydrophobicContact CB-CE3 3.88Å; L84-W116 HydrophobicContact CB-CG 4.47Å; L84-W116 HydrophobicContact CB-CH2 4.29Å; L84-W116 HydrophobicContact CB-CZ2 4.29Å; L84-W116 HydrophobicContact CB-CZ3 4.07Å; L84-W116 HydrophobicContact CD1-CB 3.84Å; L84-W116 HydrophobicContact CD1-CD2 3.99Å; L84-W116 HydrophobicContact CD1-CE3 4.48Å; L84-W116 HydrophobicContact CD1-CG 3.66Å; L84-W116 HydrophobicContact CD2-CB 4.34Å; L84-W116 HydrophobicContact CD2-CD2 4.19Å; L84-W116 HydrophobicContact CD2-CE3 3.85Å; L84-W116 HydrophobicContact CD2-CG 4.41Å; L84-W116 HydrophobicContact CG-CD2 4.24Å; L84-W116 HydrophobicContact CG-CE3 4.28Å; L84-W116 HydrophobicContact CG-CG 4.4Å; Q85-W116 WeakPolarHBondContact O-CH2 3.38Å; L103-W116 WeakPolarHBondContact CA-O 3.39Å; L103-W116 WeakPolarHBondContact CD2-O 2.96Å; L104-W116 PolarHBondContact N-O 3.42Å; L104-W116 VanDerWaalsContact N-O 3.14Å; L104-W116 PolarHBondContact O-N 3.06Å; S106-W116 PolarHBondContact OG-NE1 2.88Å; Y114-W116 AromaticContact CD2-CZ2 3.8Å; Y114-W116 HydrophobicContact CD2-CZ2 3.8Å; Y114-W116 HydrophobicContact CG-CZ2 4.15Å; W116-K123 VanDerWaalsContact CZ3-C 3.44Å; W116-P124 HydrophobicContact CD2-CB 4.22Å; W116-P124 HydrophobicContact CE3-CB 4.12Å; W116-P124 HydrophobicContact CH2-CB 4.19Å; W116-P124 HydrophobicContact CH2-CG 4.32Å; W116-P124 HydrophobicContact CZ2-CB 4.29Å; W116-P124 HydrophobicContact CZ3-CB 4.13Å; W116-P124 HydrophobicContact CZ3-CG 4.46Å; W116-P124 VanDerWaalsContact CZ3-N 3.31Å |
| 117 | D | 93.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.3 | 163.4 | -171.8 | -33 | 0 | 0 | 0 | 107.1 | E102 L103 R119 D120 T125 | E102-D117 WeakPolarHBondContact O-CA 3.4Å; L103-D117 HydrophobicContact CD2-CB 4.17Å; D117-R119 PolarHBondContact O-N 3.14Å; D117-R119 WeakPolarHBondContact OD1-CB 3.18Å; D117-R119 VanDerWaalsContact OD1-CG 3.31Å; D117-R119 WeakPolarHBondContact OD1-CG 3.31Å; D117-R119 IonicContact OD1-CZ 3.8Å; D117-R119 PolarHBondContact OD1-N 3.1Å; D117-R119 IonicContact OD1-NE 3.91Å; D117-R119 PolarHBondContact OD1-NE 3Å; D117-R119 IonicContact OD1-NH2 3.47Å; D117-R119 IonicContact OD2-CZ 3.64Å; D117-R119 IonicContact OD2-NE 3.14Å; D117-R119 PolarHBondContact OD2-NE 3.38Å; D117-R119 IonicContact OD2-NH2 2.76Å; D117-R119 PolarHBondContact OD2-NH2 3.32Å; D117-D120 CarbonylContact O-C 3.37Å; D117-D120 PolarHBondContact O-N 2.72Å; D117-T125 WeakPolarHBondContact CB-OG1 3.46Å; D117-T125 PolarHBondContact N-OG1 3.47Å |
| 118 | T | 90.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.6 | 179.9 | 41.6 | 0 | 0 | 0 | 0 | 113.2 | L70 W96 E102 T121 | L70-T118 HydrophobicContact CD1-CG2 3.76Å; W96-T118 HydrophobicContact CH2-CG2 3.75Å; W96-T118 HydrophobicContact CZ3-CG2 3.68Å; E102-T118 WeakPolarHBondContact CA-OG1 3.19Å; E102-T118 VanDerWaalsContact CB-OG1 3.26Å; E102-T118 WeakPolarHBondContact CB-OG1 3.21Å; E102-T118 PolarHBondContact O-N 3.1Å; E102-T118 PolarHBondContact O-OG1 2.94Å; E102-T118 PolarHBondContact OE2-OG1 3.38Å; T118-T121 VanDerWaalsContact O-CG2 3.3Å; T118-T121 WeakPolarHBondContact O-CG2 3.3Å |
| 119 | R | 89.8 | Confident | 92.6 | Very high | 179 Ų | 179 | 53.4 Ų | 53.4 | 68% | 0.675 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -23.9 | 176.3 | -52.9 | 171.8 | -67 | -176.4 | 3.3 | 113.3 | E102 D117 | E102-R119 HydrophobicContact CB-CG 4.33Å; E102-R119 HydrophobicContact CG-CG 4.02Å; D117-R119 PolarHBondContact O-N 3.14Å; D117-R119 WeakPolarHBondContact OD1-CB 3.18Å; D117-R119 VanDerWaalsContact OD1-CG 3.31Å; D117-R119 WeakPolarHBondContact OD1-CG 3.31Å; D117-R119 IonicContact OD1-CZ 3.8Å; D117-R119 PolarHBondContact OD1-N 3.1Å; D117-R119 IonicContact OD1-NE 3.91Å; D117-R119 PolarHBondContact OD1-NE 3Å; D117-R119 IonicContact OD1-NH2 3.47Å; D117-R119 IonicContact OD2-CZ 3.64Å; D117-R119 IonicContact OD2-NE 3.14Å; D117-R119 PolarHBondContact OD2-NE 3.38Å; D117-R119 IonicContact OD2-NH2 2.76Å; D117-R119 PolarHBondContact OD2-NH2 3.32Å |
| 120 | D | 88.8 | Confident | 92.2 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | trans | -130.1 | 76.5 | 172.5 | -169.7 | 4.7 | 0 | 0 | 0 | 111.4 | D117 R122 | D117-D120 CarbonylContact O-C 3.37Å; D117-D120 PolarHBondContact O-N 2.72Å; D120-R122 VanDerWaalsContact CG-NH2 3.27Å; D120-R122 PolarHBondContact O-N 2.98Å; D120-R122 VanDerWaalsContact O-N 3.07Å; D120-R122 IonicContact OD1-CZ 2.99Å; D120-R122 VanDerWaalsContact OD1-CZ 3.31Å; D120-R122 IonicContact OD1-NE 3.92Å; D120-R122 PolarHBondContact OD1-NE 2.66Å; D120-R122 IonicContact OD1-NH2 3.26Å; D120-R122 PolarHBondContact OD1-NH2 3.1Å; D120-R122 IonicContact OD2-CZ 3.42Å; D120-R122 IonicContact OD2-NE 3.95Å; D120-R122 IonicContact OD2-NH2 3.46Å; D120-R122 PolarHBondContact OD2-NH2 3.05Å | ||
| 121 | T | 88.8 | Confident | 91.8 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.9 | -175.4 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | T82 L84 T118 K123 | T82-T121 HydrophobicContact CG2-CG2 4.04Å; L84-T121 HydrophobicContact CD2-CG2 3.69Å; T118-T121 VanDerWaalsContact O-CG2 3.3Å; T118-T121 WeakPolarHBondContact O-CG2 3.3Å; T121-K123 PolarHBondContact O-N 2.97Å |
| 122 | R | 87.3 | Confident | 91.6 | Very high | 200 Ų | 200 | 55.6 Ų | 55.6 | 76% | 0.755 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -21.1 | -174.1 | -61.3 | 172.2 | -62.1 | 166.5 | 5.1 | 113.7 | D120 | D120-R122 VanDerWaalsContact CG-NH2 3.27Å; D120-R122 PolarHBondContact O-N 2.98Å; D120-R122 VanDerWaalsContact O-N 3.07Å; D120-R122 IonicContact OD1-CZ 2.99Å; D120-R122 VanDerWaalsContact OD1-CZ 3.31Å; D120-R122 IonicContact OD1-NE 3.92Å; D120-R122 PolarHBondContact OD1-NE 2.66Å; D120-R122 IonicContact OD1-NH2 3.26Å; D120-R122 PolarHBondContact OD1-NH2 3.1Å; D120-R122 IonicContact OD2-CZ 3.42Å; D120-R122 IonicContact OD2-NE 3.95Å; D120-R122 IonicContact OD2-NH2 3.46Å; D120-R122 PolarHBondContact OD2-NH2 3.05Å |
| 123 | K | 89.3 | Confident | 91.2 | Very high | 127 Ų | 127 | 52 Ų | 52 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -155.8 | 154.3 | -177.9 | 61 | 177 | -178.1 | 174.3 | 0 | 110 | W116 T121 | W116-K123 VanDerWaalsContact CZ3-C 3.44Å; T121-K123 PolarHBondContact O-N 2.97Å |
| 124 | P | 93.1 | Very high | 91 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | trans | -68.4 | 140 | 168.5 | 30.8 | -34.9 | 0 | 0 | 0 | 109.9 | Y114 I115 W116 V126 | Y114-P124 HydrophobicContact CD1-CB 3.87Å; Y114-P124 HydrophobicContact CD1-CG 3.73Å; Y114-P124 HydrophobicContact CE1-CG 4.15Å; Y114-P124 HydrophobicContact CG-CB 3.88Å; Y114-P124 HydrophobicContact CG-CG 4.01Å; I115-P124 CarbonylContact O-C 3.59Å; W116-P124 HydrophobicContact CD2-CB 4.22Å; W116-P124 HydrophobicContact CE3-CB 4.12Å; W116-P124 HydrophobicContact CH2-CB 4.19Å; W116-P124 HydrophobicContact CH2-CG 4.32Å; W116-P124 HydrophobicContact CZ2-CB 4.29Å; W116-P124 HydrophobicContact CZ3-CB 4.13Å; W116-P124 HydrophobicContact CZ3-CG 4.46Å; W116-P124 VanDerWaalsContact CZ3-N 3.31Å; P124-V126 VanDerWaalsContact C-N 3.33Å | ||
| 125 | T | 92.8 | Very high | 90.7 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -70.4 | -35.5 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | I115 D117 | I115-T125 PolarHBondContact O-N 3.07Å; D117-T125 WeakPolarHBondContact CB-OG1 3.46Å; D117-T125 PolarHBondContact N-OG1 3.47Å |
| 126 | V | 94.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.7 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | I115 P124 L128 P163 | I115-V126 HydrophobicContact CB-CB 4.01Å; I115-V126 HydrophobicContact CD1-CB 3.97Å; I115-V126 HydrophobicContact CD1-CG1 4.25Å; I115-V126 HydrophobicContact CD1-CG2 4.34Å; I115-V126 HydrophobicContact CG1-CB 4.2Å; I115-V126 PolarHBondContact N-O 3.17Å; I115-V126 PolarHBondContact O-N 3.21Å; P124-V126 VanDerWaalsContact C-N 3.33Å; V126-L128 HydrophobicContact CG1-CD2 3.85Å; V126-L128 HydrophobicContact CG1-CG 4.29Å; V126-P163 HydrophobicContact CG1-CB 3.4Å; V126-P163 VanDerWaalsContact CG1-CB 3.4Å; V126-P163 HydrophobicContact CG1-CG 4.16Å |
| 127 | A | 94.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 41% | 0.405 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y114 | Y114-A127 HydrophobicContact CD1-CB 3.76Å; Y114-A127 HydrophobicContact CE1-CB 3.62Å |
| 128 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.9 | 172.7 | -50.6 | 173.7 | 0 | 0 | 0 | 107.4 | Y112 I113 I115 V126 L147 W158 P163 | Y112-L128 WeakPolarHBondContact CA-O 3.39Å; I113-L128 HydrophobicContact CB-CB 4.2Å; I113-L128 HydrophobicContact CG2-CD1 4.33Å; I113-L128 PolarHBondContact N-O 2.98Å; I113-L128 PolarHBondContact O-N 2.96Å; I115-L128 HydrophobicContact CD1-CD1 4.35Å; V126-L128 HydrophobicContact CG1-CD2 3.85Å; V126-L128 HydrophobicContact CG1-CG 4.29Å; L128-L147 HydrophobicContact CD1-CD1 3.99Å; L128-L147 HydrophobicContact CD1-CD2 3.99Å; L128-L147 HydrophobicContact CD1-CG 4.36Å; L128-W158 HydrophobicContact CB-CD2 4.2Å; L128-W158 HydrophobicContact CB-CE3 4.06Å; L128-W158 HydrophobicContact CB-CZ3 4.23Å; L128-W158 HydrophobicContact CD1-CB 3.78Å; L128-W158 HydrophobicContact CD1-CD2 4.04Å; L128-W158 HydrophobicContact CD1-CE3 4.36Å; L128-W158 HydrophobicContact CD1-CG 3.81Å; L128-W158 HydrophobicContact CD2-CE3 4Å; L128-W158 HydrophobicContact CG-CD2 4.49Å; L128-W158 HydrophobicContact CG-CE3 4.37Å; L128-P163 VanDerWaalsContact CD2-CA 3.41Å; L128-P163 HydrophobicContact CD2-CB 3.5Å; L128-P163 WeakPolarHBondContact CD2-O 3.33Å |
| 129 | S | 91.4 | Very high | 90.9 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.4 | -176.1 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | W158 | S129-W158 WeakPolarHBondContact O-CH2 3.38Å |
| 130 | A | 85.6 | Confident | 91.1 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | trans | -99.1 | 168.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | T111 A132 H151 W158 | T111-A130 WeakPolarHBondContact CB-O 3.49Å; T111-A130 PolarHBondContact O-N 3.44Å; T111-A130 PolarHBondContact OG1-O 2.92Å; A130-A132 VanDerWaalsContact C-N 3.35Å; A130-H151 WeakPolarHBondContact CB-CE1 3.46Å; A130-H151 WeakPolarHBondContact CB-ND1 3.35Å; A130-W158 HydrophobicContact CB-CZ2 4.3Å | ||
| 131 | V | 82.9 | Confident | 91.2 | Very high | 134 Ų | 134 | 43 Ų | 43 | 81% | 0.812 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -77.2 | -23.3 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 112 | ||
| 132 | A | 86.6 | Confident | 91.3 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -125.9 | 157 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A130 H151 | A130-A132 VanDerWaalsContact C-N 3.35Å; A132-H151 HydrophobicContact CB-CB 4.16Å; A132-H151 PolarHBondContact O-ND1 2.99Å |
| 133 | G | 87.6 | Confident | 91.6 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | trans | -59 | 140.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H151 | G133-H151 WeakPolarHBondContact O-CA 3.28Å; G133-H151 PolarHBondContact O-ND1 2.81Å | ||
| 134 | A | 91.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | trans | -87.3 | 135.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | S92 S108 I113 S150 | S92-A134 VanDerWaalsContact CB-O 3.23Å; S92-A134 WeakPolarHBondContact CB-O 3.36Å; S92-A134 PolarHBondContact OG-O 2.83Å; S108-A134 PolarHBondContact O-N 2.86Å; I113-A134 HydrophobicContact CD1-CB 4.19Å; I113-A134 HydrophobicContact CG1-CB 3.84Å; A134-S150 CarbonylContact C-O 3.57Å; A134-S150 WeakPolarHBondContact CA-O 3.42Å | ||
| 135 | A | 91.1 | Very high | 91.8 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | trans | -108.1 | -38.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S92 S150 | S92-A135 WeakPolarHBondContact CB-O 3.35Å; A135-S150 PolarHBondContact N-O 2.91Å | ||
| 136 | Q | 92.8 | Very high | 92 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154.9 | 169.5 | -65 | -72.8 | -92.5 | 0 | 0 | 109.2 | S149 S150 H178 L180 | Q136-S149 WeakPolarHBondContact O-CA 3.39Å; Q136-S150 WeakPolarHBondContact CB-OG 3.48Å; Q136-S150 PolarHBondContact N-OG 3.39Å; Q136-S150 PolarHBondContact O-N 3.05Å; Q136-H178 VanDerWaalsContact CG-O 3.28Å; Q136-H178 WeakPolarHBondContact CG-O 3.46Å; Q136-L180 HydrophobicContact CB-CB 3.96Å; Q136-L180 HydrophobicContact CB-CD2 4.47Å |
| 137 | V | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134 | 171.4 | 64 | 0 | 0 | 0 | 0 | 110.3 | D93 V105 S107 I113 L147 A148 | D93-V137 HydrophobicContact CB-CG1 4.38Å; D93-V137 PolarHBondContact OD2-N 3.18Å; D93-V137 VanDerWaalsContact OD2-O 3.14Å; V105-V137 HydrophobicContact CB-CG2 4.46Å; V105-V137 HydrophobicContact CG1-CB 4.45Å; V105-V137 HydrophobicContact CG1-CG1 3.89Å; V105-V137 HydrophobicContact CG1-CG2 3.73Å; V105-V137 HydrophobicContact CG2-CG1 4.47Å; V105-V137 HydrophobicContact CG2-CG2 3.82Å; S107-V137 WeakPolarHBondContact OG-CG1 3.48Å; I113-V137 HydrophobicContact CG2-CG2 4.05Å; V137-L147 HydrophobicContact CG2-CD1 3.96Å; V137-A148 WeakPolarHBondContact CA-O 3.43Å |
| 138 | K | 95.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.8 | -179.7 | -64.7 | -70.7 | 147 | -113.4 | 0 | 111.8 | D93 L94 D95 L147 A148 L180 W182 | D93-K138 IonicContact OD1-NZ 2.69Å; D93-K138 WeakPolarHBondContact OD2-CE 3.3Å; D93-K138 IonicContact OD2-NZ 3.33Å; D93-K138 PolarHBondContact OD2-NZ 2.93Å; L94-K138 PolarHBondContact O-NZ 2.9Å; D95-K138 HydrophobicContact CB-CD 4.47Å; D95-K138 WeakPolarHBondContact OD1-CD 3.47Å; D95-K138 IonicContact OD1-NZ 3.04Å; D95-K138 PolarHBondContact OD1-NZ 2.83Å; D95-K138 WeakPolarHBondContact OD2-CA 3.5Å; K138-L147 WeakPolarHBondContact O-CA 3.42Å; K138-A148 PolarHBondContact N-O 3.04Å; K138-A148 PolarHBondContact O-N 2.88Å; K138-L180 HydrophobicContact CB-CD2 4.5Å; K138-L180 WeakPolarHBondContact CG-O 3.35Å; K138-W182 PolarHBondContact O-NE1 3.25Å |
| 139 | W | 95.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.1 | 169.2 | -77.9 | 104.1 | 0 | 0 | 0 | 110.8 | D95 W96 V105 I115 L147 K160 | D95-W139 PolarHBondContact O-NE1 3.39Å; D95-W139 PolarHBondContact OD2-N 2.8Å; W96-W139 VanDerWaalsContact O-CD1 3.25Å; V105-W139 HydrophobicContact CB-CZ2 4.33Å; I115-W139 HydrophobicContact CD1-CH2 3.89Å; I115-W139 HydrophobicContact CD1-CZ2 4.2Å; I115-W139 HydrophobicContact CG1-CZ2 4.32Å; I115-W139 HydrophobicContact CG2-CH2 4.32Å; I115-W139 HydrophobicContact CG2-CZ2 3.9Å; W139-L147 HydrophobicContact CD2-CB 4.26Å; W139-L147 HydrophobicContact CE3-CB 4Å; W139-L147 HydrophobicContact CE3-CD2 4.35Å; W139-L147 HydrophobicContact CH2-CD2 3.92Å; W139-L147 HydrophobicContact CZ2-CD2 4.13Å; W139-L147 HydrophobicContact CZ3-CB 4.37Å; W139-L147 HydrophobicContact CZ3-CD2 4.03Å; W139-K160 HydrophobicContact CH2-CB 4.37Å; W139-K160 HydrophobicContact CH2-CD 3.7Å; W139-K160 HydrophobicContact CZ3-CD 3.88Å |
| 140 | N | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -67.8 | 137.4 | 171.7 | -169.7 | -57.1 | 0 | 0 | 0 | 109.8 | R142 N143 L146 W182 E187 | N140-R142 PolarHBondContact OD1-N 2.81Å; N140-N143 HydrophobicContact CB-CB 4.29Å; N140-N143 PolarHBondContact OD1-N 3.07Å; N140-L146 HydrophobicContact CB-CB 3.93Å; N140-L146 VanDerWaalsContact CB-O 3.24Å; N140-L146 WeakPolarHBondContact CB-O 3.48Å; N140-L146 PolarHBondContact N-O 2.86Å; N140-W182 HydrophobicContact CB-CD2 4.26Å; N140-W182 HydrophobicContact CB-CZ2 4.13Å; N140-W182 WeakPolarHBondContact ND2-CH2 3.41Å; N140-W182 VanDerWaalsContact ND2-CZ3 3.29Å; N140-W182 WeakPolarHBondContact ND2-CZ3 3.48Å; N140-E187 PolarHBondContact ND2-O 3.16Å | ||
| 141 | R | 89.4 | Confident | 92.8 | Very high | 50 Ų | 50 | 27 Ų | 27 | 19% | 0.189 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -82.1 | -12.4 | -177.3 | -69.4 | -174.7 | 177.4 | 122.8 | 10.9 | 114.2 | W98 F99 D181 W182 | W98-R141 HydrophobicContact CD2-CG 4.26Å; W98-R141 HydrophobicContact CG-CG 4.26Å; F99-R141 WeakPolarHBondContact CZ-O 3.46Å; R141-D181 IonicContact CZ-OD1 3.05Å; R141-D181 VanDerWaalsContact CZ-OD1 3.27Å; R141-D181 IonicContact NH1-OD1 3.1Å; R141-D181 PolarHBondContact NH1-OD1 3.46Å; R141-D181 IonicContact NH1-OD2 3.65Å; R141-D181 PolarHBondContact NH1-OD2 2.9Å; R141-D181 IonicContact NH2-OD1 2.72Å; R141-D181 PolarHBondContact NH2-OD1 2.96Å; R141-D181 IonicContact NH2-OD2 3.93Å; R141-W182 PolarHBondContact NH1-O 3.05Å |
| 142 | R | 92.9 | Very high | 93.1 | Very high | 135 Ų | 135 | 24.9 Ų | 24.9 | 51% | 0.509 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -118.4 | -29 | -177.6 | -67.7 | -63.2 | -175.9 | 153.4 | 1.3 | 112.7 | F99 N140 R184 D185 E187 | F99-R142 WeakPolarHBondContact CZ-O 3.41Å; N140-R142 PolarHBondContact OD1-N 2.81Å; R142-R184 WeakPolarHBondContact CG-O 3.42Å; R142-R184 PolarHBondContact NE-O 3.44Å; R142-D185 IonicContact CZ-OD1 2.69Å; R142-D185 IonicContact NH2-OD1 3.18Å; R142-D185 PolarHBondContact NH2-OD1 3.43Å; R142-E187 HydrophobicContact CB-CB 3.71Å |
| 143 | N | 93.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 24 Ų | 24 | 19% | 0.193 | 12% | 0.123 | C | C | . | . | trans | -110.8 | 112.5 | -179.7 | -164.2 | -51.3 | 0 | 0 | 0 | 112.2 | N140 H145 L146 E187 | N140-N143 HydrophobicContact CB-CB 4.29Å; N140-N143 PolarHBondContact OD1-N 3.07Å; N143-H145 PolarHBondContact O-N 3.4Å; N143-H145 VanDerWaalsContact O-N 3.09Å; N143-H145 PolarHBondContact OD1-N 3.26Å; N143-H145 VanDerWaalsContact OD1-N 3.16Å; N143-L146 HydrophobicContact CB-CB 4.19Å; N143-L146 HydrophobicContact CB-CD1 3.99Å; N143-L146 HydrophobicContact CB-CG 4.12Å; N143-L146 PolarHBondContact O-N 2.89Å; N143-E187 WeakPolarHBondContact CB-OE2 3.36Å; N143-E187 PolarHBondContact ND2-OE2 3.44Å | ||
| 144 | P | 93.1 | Very high | 93.6 | Very high | 40 Ų | 40 | 24.7 Ų | 24.7 | 26% | 0.26 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.9 | -174.3 | 27.3 | -35.8 | 0 | 0 | 0 | 114.8 | F99 K160 | F99-P144 HydrophobicContact CB-CB 3.84Å; F99-P144 HydrophobicContact CD1-CB 4.29Å; F99-P144 VanDerWaalsContact CD2-CA 3.5Å; F99-P144 HydrophobicContact CD2-CB 3.66Å; F99-P144 HydrophobicContact CE2-CB 4.27Å; F99-P144 HydrophobicContact CG-CB 3.66Å; P144-K160 VanDerWaalsContact O-CE 3.24Å; P144-K160 WeakPolarHBondContact O-CE 3.42Å; P144-K160 PolarHBondContact O-NZ 2.86Å |
| 145 | H | 93.5 | Very high | 93.8 | Very high | 64 Ų | 64 | 24.6 Ų | 24.6 | 30% | 0.296 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.6 | -178.7 | -59.9 | -68 | 0 | 0 | 0 | 113.6 | N143 D159 K160 | N143-H145 PolarHBondContact O-N 3.4Å; N143-H145 VanDerWaalsContact O-N 3.09Å; N143-H145 PolarHBondContact OD1-N 3.26Å; N143-H145 VanDerWaalsContact OD1-N 3.16Å; H145-D159 WeakPolarHBondContact O-CA 3.36Å; H145-K160 HydrophobicContact CB-CG 4.31Å; H145-K160 PolarHBondContact O-N 3.42Å |
| 146 | L | 95.1 | Very high | 94 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.1 | -172 | -63.1 | 179.9 | 0 | 0 | 0 | 113.4 | N140 N143 I157 W158 D159 V167 Y204 | N140-L146 HydrophobicContact CB-CB 3.93Å; N140-L146 VanDerWaalsContact CB-O 3.24Å; N140-L146 WeakPolarHBondContact CB-O 3.48Å; N140-L146 PolarHBondContact N-O 2.86Å; N143-L146 HydrophobicContact CB-CB 4.19Å; N143-L146 HydrophobicContact CB-CD1 3.99Å; N143-L146 HydrophobicContact CB-CG 4.12Å; N143-L146 PolarHBondContact O-N 2.89Å; L146-I157 HydrophobicContact CD2-CG2 4.45Å; L146-W158 VanDerWaalsContact CA-O 3.29Å; L146-W158 WeakPolarHBondContact CA-O 3.45Å; L146-W158 WeakPolarHBondContact CD2-O 3.21Å; L146-D159 HydrophobicContact CD2-CB 3.97Å; L146-V167 HydrophobicContact CD2-CG2 4.33Å; L146-Y204 HydrophobicContact CD1-CE1 4.49Å; L146-Y204 WeakPolarHBondContact CD1-OH 3.43Å |
| 147 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.3 | 168.3 | 65.8 | 90.5 | 0 | 0 | 0 | 110.4 | V105 I113 I115 L128 V137 K138 W139 W158 | V105-L147 HydrophobicContact CG2-CD2 4.2Å; I113-L147 HydrophobicContact CG2-CD1 4.48Å; I115-L147 HydrophobicContact CD1-CD2 3.77Å; I115-L147 HydrophobicContact CG1-CD2 4.17Å; L128-L147 HydrophobicContact CD1-CD1 3.99Å; L128-L147 HydrophobicContact CD1-CD2 3.99Å; L128-L147 HydrophobicContact CD1-CG 4.36Å; V137-L147 HydrophobicContact CG2-CD1 3.96Å; K138-L147 WeakPolarHBondContact O-CA 3.42Å; W139-L147 HydrophobicContact CD2-CB 4.26Å; W139-L147 HydrophobicContact CE3-CB 4Å; W139-L147 HydrophobicContact CE3-CD2 4.35Å; W139-L147 HydrophobicContact CH2-CD2 3.92Å; W139-L147 HydrophobicContact CZ2-CD2 4.13Å; W139-L147 HydrophobicContact CZ3-CB 4.37Å; W139-L147 HydrophobicContact CZ3-CD2 4.03Å; L147-W158 HydrophobicContact CD1-CB 3.97Å; L147-W158 HydrophobicContact CD1-CG 4.06Å; L147-W158 HydrophobicContact CG-CB 4.08Å; L147-W158 PolarHBondContact N-O 3.08Å; L147-W158 PolarHBondContact O-N 2.87Å |
| 148 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V137 K138 V155 R156 I157 L180 W182 | V137-A148 WeakPolarHBondContact CA-O 3.43Å; K138-A148 PolarHBondContact N-O 3.04Å; K138-A148 PolarHBondContact O-N 2.88Å; A148-V155 HydrophobicContact CB-CG1 4.22Å; A148-R156 WeakPolarHBondContact CA-O 3.34Å; A148-I157 HydrophobicContact CB-CD1 3.68Å; A148-L180 HydrophobicContact CB-CD1 4.45Å; A148-L180 HydrophobicContact CB-CD2 3.86Å; A148-L180 WeakPolarHBondContact O-CD2 3.36Å; A148-W182 HydrophobicContact CB-CH2 4.4Å; A148-W182 HydrophobicContact CB-CZ2 3.5Å; A148-W182 VanDerWaalsContact CB-CZ2 3.5Å |
| 149 | S | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.3 | 172.6 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | I113 Q136 H151 V155 R156 W158 | I113-S149 VanDerWaalsContact CD1-CB 3.42Å; I113-S149 VanDerWaalsContact CD1-OG 3.23Å; I113-S149 WeakPolarHBondContact CD1-OG 3.08Å; Q136-S149 WeakPolarHBondContact O-CA 3.39Å; S149-H151 PolarHBondContact O-CD2 2.84Å; S149-H151 PolarHBondContact OG-NE2 2.76Å; S149-V155 WeakPolarHBondContact O-CA 3.44Å; S149-R156 PolarHBondContact N-O 2.82Å; S149-R156 PolarHBondContact O-N 3.22Å; S149-W158 PolarHBondContact OG-NE1 3.43Å |
| 150 | S | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.8 | 175.6 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | A134 A135 Q136 D154 | A134-S150 CarbonylContact C-O 3.57Å; A134-S150 WeakPolarHBondContact CA-O 3.42Å; A135-S150 PolarHBondContact N-O 2.91Å; Q136-S150 WeakPolarHBondContact CB-OG 3.48Å; Q136-S150 PolarHBondContact N-OG 3.39Å; Q136-S150 PolarHBondContact O-N 3.05Å; S150-D154 CarbonylContact C-O 3.5Å; S150-D154 WeakPolarHBondContact CA-O 3.36Å |
| 151 | H | 93.4 | Very high | 94 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 100 | -176.3 | -54.8 | -97.5 | 0 | 0 | 0 | 109.6 | A130 A132 G133 S149 G153 D154 | A130-H151 WeakPolarHBondContact CB-CE1 3.46Å; A130-H151 WeakPolarHBondContact CB-ND1 3.35Å; A132-H151 HydrophobicContact CB-CB 4.16Å; A132-H151 PolarHBondContact O-ND1 2.99Å; G133-H151 WeakPolarHBondContact O-CA 3.28Å; G133-H151 PolarHBondContact O-ND1 2.81Å; S149-H151 PolarHBondContact O-CD2 2.84Å; S149-H151 PolarHBondContact OG-NE2 2.76Å; H151-G153 PolarHBondContact O-N 3.19Å; H151-D154 HydrophobicContact CB-CB 4.41Å; H151-D154 PolarHBondContact N-O 3.14Å; H151-D154 PolarHBondContact O-N 2.69Å |
| 152 | D | 89.3 | Confident | 94.1 | Very high | 88 Ų | 88 | 38 Ų | 38 | 47% | 0.471 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | -106.7 | -168.4 | -64.6 | -42.1 | 0 | 0 | 0 | 111.6 | K176 I177 | D152-K176 CarbonylContact O-C 3.57Å; D152-K176 WeakPolarHBondContact O-CA 3.38Å; D152-I177 WeakPolarHBondContact O-CG1 3.25Å; D152-I177 PolarHBondContact O-N 3.08Å |
| 153 | G | 90.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -8.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | H151 A172 H173 | H151-G153 PolarHBondContact O-N 3.19Å; G153-A172 PolarHBondContact O-N 3.23Å; G153-H173 CarbonylContact C-O 3.52Å; G153-H173 VanDerWaalsContact CA-O 3.26Å; G153-H173 WeakPolarHBondContact CA-O 3.37Å; G153-H173 PolarHBondContact O-N 3.15Å |
| 154 | D | 94 | Very high | 93.7 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 155.3 | -172.8 | -54.7 | -18.8 | 0 | 0 | 0 | 112.6 | S150 H151 R156 Y169 L170 | S150-D154 CarbonylContact C-O 3.5Å; S150-D154 WeakPolarHBondContact CA-O 3.36Å; H151-D154 HydrophobicContact CB-CB 4.41Å; H151-D154 PolarHBondContact N-O 3.14Å; H151-D154 PolarHBondContact O-N 2.69Å; D154-R156 IonicContact OD2-CZ 3Å; D154-R156 IonicContact OD2-NH1 3.97Å; D154-R156 PolarHBondContact OD2-NH1 2.93Å; D154-R156 IonicContact OD2-NH2 3.08Å; D154-R156 PolarHBondContact OD2-NH2 2.89Å; D154-R156 VanDerWaalsContact OD2-NH2 3.15Å; D154-Y169 HydrophobicContact CB-CE2 3.82Å; D154-Y169 VanDerWaalsContact CG-OH 3.26Å; D154-Y169 PolarHBondContact OD1-OH 2.88Å; D154-Y169 VanDerWaalsContact OD1-OH 3.06Å; D154-Y169 WeakPolarHBondContact OD2-CE2 3.44Å; D154-Y169 PolarHBondContact OD2-OH 3Å; D154-L170 CarbonylContact C-O 3.55Å; D154-L170 WeakPolarHBondContact CA-O 3.43Å |
| 155 | V | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.2 | 159.7 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | A148 S149 I157 L170 A172 I177 L180 F190 T192 | A148-V155 HydrophobicContact CB-CG1 4.22Å; S149-V155 WeakPolarHBondContact O-CA 3.44Å; V155-I157 HydrophobicContact CG1-CD1 4.05Å; V155-L170 HydrophobicContact CB-CB 4.42Å; V155-L170 PolarHBondContact N-O 2.92Å; V155-L170 PolarHBondContact O-N 3.49Å; V155-A172 HydrophobicContact CG2-CB 4.18Å; V155-I177 HydrophobicContact CG2-CD1 3.63Å; V155-L180 HydrophobicContact CG1-CD1 4.32Å; V155-L180 HydrophobicContact CG2-CD1 4.34Å; V155-F190 HydrophobicContact CB-CE2 4.22Å; V155-F190 HydrophobicContact CB-CZ 4.33Å; V155-F190 HydrophobicContact CG1-CE2 3.84Å; V155-F190 HydrophobicContact CG1-CZ 3.94Å; V155-F190 HydrophobicContact CG2-CE2 4.13Å; V155-T192 HydrophobicContact CG2-CG2 3.72Å |
| 156 | R | 95.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.8 | 173.7 | -72.7 | 172.1 | 176.8 | 76.3 | 6.1 | 109.2 | A148 S149 D154 W158 A166 Y169 | A148-R156 WeakPolarHBondContact CA-O 3.34Å; S149-R156 PolarHBondContact N-O 2.82Å; S149-R156 PolarHBondContact O-N 3.22Å; D154-R156 IonicContact OD2-CZ 3Å; D154-R156 IonicContact OD2-NH1 3.97Å; D154-R156 PolarHBondContact OD2-NH1 2.93Å; D154-R156 IonicContact OD2-NH2 3.08Å; D154-R156 PolarHBondContact OD2-NH2 2.89Å; D154-R156 VanDerWaalsContact OD2-NH2 3.15Å; R156-W158 HydrophobicContact CB-CZ2 4.05Å; R156-A166 HydrophobicContact CB-CB 4.21Å; R156-A166 HydrophobicContact CG-CB 4.43Å; R156-Y169 HydrophobicContact CG-CD2 3.98Å |
| 157 | I | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.2 | 173.5 | -48.2 | -56.3 | 0 | 0 | 0 | 107.7 | L146 A148 V155 A166 V167 E168 L170 W182 F190 Y204 | L146-I157 HydrophobicContact CD2-CG2 4.45Å; A148-I157 HydrophobicContact CB-CD1 3.68Å; V155-I157 HydrophobicContact CG1-CD1 4.05Å; I157-A166 CarbonylContact O-C 3.46Å; I157-A166 WeakPolarHBondContact O-CA 3.22Å; I157-A166 WeakPolarHBondContact O-CB 3.48Å; I157-V167 PolarHBondContact O-N 2.82Å; I157-E168 HydrophobicContact CB-CB 4.17Å; I157-E168 HydrophobicContact CG1-CB 4.11Å; I157-E168 PolarHBondContact N-O 2.77Å; I157-E168 PolarHBondContact O-N 2.91Å; I157-L170 HydrophobicContact CD1-CD1 4.33Å; I157-L170 HydrophobicContact CG1-CD1 3.92Å; I157-W182 HydrophobicContact CD1-CH2 3.96Å; I157-W182 HydrophobicContact CD1-CZ2 4.21Å; I157-W182 HydrophobicContact CG2-CH2 4.36Å; I157-F190 HydrophobicContact CD1-CE1 4.11Å; I157-F190 HydrophobicContact CD1-CZ 4.36Å; I157-Y204 HydrophobicContact CD1-CD1 4.43Å; I157-Y204 HydrophobicContact CG1-CD1 4.27Å; I157-Y204 HydrophobicContact CG1-CG 4.06Å |
| 158 | W | 96.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.4 | -175.4 | -56.1 | 88.5 | 0 | 0 | 0 | 111 | L128 S129 A130 L146 L147 S149 R156 A166 | L128-W158 HydrophobicContact CB-CD2 4.2Å; L128-W158 HydrophobicContact CB-CE3 4.06Å; L128-W158 HydrophobicContact CB-CZ3 4.23Å; L128-W158 HydrophobicContact CD1-CB 3.78Å; L128-W158 HydrophobicContact CD1-CD2 4.04Å; L128-W158 HydrophobicContact CD1-CE3 4.36Å; L128-W158 HydrophobicContact CD1-CG 3.81Å; L128-W158 HydrophobicContact CD2-CE3 4Å; L128-W158 HydrophobicContact CG-CD2 4.49Å; L128-W158 HydrophobicContact CG-CE3 4.37Å; S129-W158 WeakPolarHBondContact O-CH2 3.38Å; A130-W158 HydrophobicContact CB-CZ2 4.3Å; L146-W158 VanDerWaalsContact CA-O 3.29Å; L146-W158 WeakPolarHBondContact CA-O 3.45Å; L146-W158 WeakPolarHBondContact CD2-O 3.21Å; L147-W158 HydrophobicContact CD1-CB 3.97Å; L147-W158 HydrophobicContact CD1-CG 4.06Å; L147-W158 HydrophobicContact CG-CB 4.08Å; L147-W158 PolarHBondContact N-O 3.08Å; L147-W158 PolarHBondContact O-N 2.87Å; S149-W158 PolarHBondContact OG-NE1 3.43Å; R156-W158 HydrophobicContact CB-CZ2 4.05Å; W158-A166 HydrophobicContact CD2-CB 4.15Å; W158-A166 HydrophobicContact CE3-CB 4.03Å; W158-A166 HydrophobicContact CH2-CB 4.19Å; W158-A166 HydrophobicContact CZ2-CB 4.3Å; W158-A166 HydrophobicContact CZ3-CB 4.06Å |
| 159 | D | 94.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.9 | 168.8 | 177.2 | -12.5 | 0 | 0 | 0 | 108.2 | H145 L146 R161 K162 V167 | H145-D159 WeakPolarHBondContact O-CA 3.36Å; L146-D159 HydrophobicContact CD2-CB 3.97Å; D159-R161 PolarHBondContact O-N 3.36Å; D159-R161 WeakPolarHBondContact OD1-CB 3.28Å; D159-R161 VanDerWaalsContact OD1-CG 3.27Å; D159-R161 WeakPolarHBondContact OD1-CG 3.46Å; D159-R161 IonicContact OD1-CZ 3.31Å; D159-R161 PolarHBondContact OD1-N 3.15Å; D159-R161 IonicContact OD1-NE 2.96Å; D159-R161 PolarHBondContact OD1-NE 3.09Å; D159-R161 IonicContact OD1-NH2 2.73Å; D159-R161 IonicContact OD2-CZ 2.66Å; D159-R161 VanDerWaalsContact OD2-CZ 3.3Å; D159-R161 IonicContact OD2-NE 3.96Å; D159-R161 PolarHBondContact OD2-NE 3.32Å; D159-R161 VanDerWaalsContact OD2-NE 3.09Å; D159-R161 IonicContact OD2-NH2 3.27Å; D159-R161 PolarHBondContact OD2-NH2 2.93Å; D159-K162 HydrophobicContact CB-CB 4.43Å; D159-K162 CarbonylContact O-C 3.44Å; D159-K162 PolarHBondContact O-N 2.95Å; D159-V167 HydrophobicContact CB-CG2 3.52Å |
| 160 | K | 92.8 | Very high | 93 | Very high | 36 Ų | 36 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.3 | -178.9 | 77.6 | -171 | -172.6 | -168.1 | 0 | 113.5 | D100 L103 I115 W139 P144 H145 | D100-K160 IonicContact OD2-NZ 3.02Å; D100-K160 PolarHBondContact OD2-NZ 2.96Å; L103-K160 HydrophobicContact CD1-CD 4.5Å; I115-K160 HydrophobicContact CD1-CB 3.76Å; W139-K160 HydrophobicContact CH2-CB 4.37Å; W139-K160 HydrophobicContact CH2-CD 3.7Å; W139-K160 HydrophobicContact CZ3-CD 3.88Å; P144-K160 VanDerWaalsContact O-CE 3.24Å; P144-K160 WeakPolarHBondContact O-CE 3.42Å; P144-K160 PolarHBondContact O-NZ 2.86Å; H145-K160 HydrophobicContact CB-CG 4.31Å; H145-K160 PolarHBondContact O-N 3.42Å |
| 161 | R | 93.1 | Very high | 92.9 | Very high | 161 Ų | 161 | 54.2 Ų | 54.2 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16.5 | 176.1 | -50 | 171.8 | -60.6 | 163.7 | 3.9 | 113.4 | D159 P163 | D159-R161 PolarHBondContact O-N 3.36Å; D159-R161 WeakPolarHBondContact OD1-CB 3.28Å; D159-R161 VanDerWaalsContact OD1-CG 3.27Å; D159-R161 WeakPolarHBondContact OD1-CG 3.46Å; D159-R161 IonicContact OD1-CZ 3.31Å; D159-R161 PolarHBondContact OD1-N 3.15Å; D159-R161 IonicContact OD1-NE 2.96Å; D159-R161 PolarHBondContact OD1-NE 3.09Å; D159-R161 IonicContact OD1-NH2 2.73Å; D159-R161 IonicContact OD2-CZ 2.66Å; D159-R161 VanDerWaalsContact OD2-CZ 3.3Å; D159-R161 IonicContact OD2-NE 3.96Å; D159-R161 PolarHBondContact OD2-NE 3.32Å; D159-R161 VanDerWaalsContact OD2-NE 3.09Å; D159-R161 IonicContact OD2-NH2 3.27Å; D159-R161 PolarHBondContact OD2-NH2 2.93Å; R161-P163 VanDerWaalsContact C-CD 3.49Å |
| 162 | K | 91.9 | Very high | 92.8 | Very high | 132 Ų | 132 | 54.2 Ų | 54.2 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -128.8 | 61.9 | -177.8 | -65.2 | -176.7 | 179.3 | 178.9 | 0 | 111 | D159 N164 T165 | D159-K162 HydrophobicContact CB-CB 4.43Å; D159-K162 CarbonylContact O-C 3.44Å; D159-K162 PolarHBondContact O-N 2.95Å; K162-N164 VanDerWaalsContact C-N 3.28Å; K162-N164 PolarHBondContact O-N 3.28Å; K162-N164 VanDerWaalsContact O-N 3.16Å; K162-T165 PolarHBondContact O-N 3.41Å; K162-T165 VanDerWaalsContact O-O 3.1Å |
| 163 | P | 89.6 | Confident | 93 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.3 | -164.4 | 28.5 | -37.9 | 0 | 0 | 0 | 115.8 | V126 L128 R161 T165 | V126-P163 HydrophobicContact CG1-CB 3.4Å; V126-P163 VanDerWaalsContact CG1-CB 3.4Å; V126-P163 HydrophobicContact CG1-CG 4.16Å; L128-P163 VanDerWaalsContact CD2-CA 3.41Å; L128-P163 HydrophobicContact CD2-CB 3.5Å; L128-P163 WeakPolarHBondContact CD2-O 3.33Å; R161-P163 VanDerWaalsContact C-CD 3.49Å; P163-T165 PolarHBondContact O-N 3.49Å |
| 164 | N | 88 | Confident | 92.9 | Very high | 151 Ų | 151 | 58.3 Ų | 58.3 | 81% | 0.807 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -15.6 | -175.7 | -62.7 | -12.8 | 0 | 0 | 0 | 113.6 | K162 | K162-N164 VanDerWaalsContact C-N 3.28Å; K162-N164 PolarHBondContact O-N 3.28Å; K162-N164 VanDerWaalsContact O-N 3.16Å |
| 165 | T | 89.4 | Confident | 92.7 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -146.1 | 132.7 | -172.8 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | K162 P163 | K162-T165 PolarHBondContact O-N 3.41Å; K162-T165 VanDerWaalsContact O-O 3.1Å; P163-T165 PolarHBondContact O-N 3.49Å |
| 166 | A | 91.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | trans | -59.8 | 141.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R156 I157 W158 | R156-A166 HydrophobicContact CB-CB 4.21Å; R156-A166 HydrophobicContact CG-CB 4.43Å; I157-A166 CarbonylContact O-C 3.46Å; I157-A166 WeakPolarHBondContact O-CA 3.22Å; I157-A166 WeakPolarHBondContact O-CB 3.48Å; W158-A166 HydrophobicContact CD2-CB 4.15Å; W158-A166 HydrophobicContact CE3-CB 4.03Å; W158-A166 HydrophobicContact CH2-CB 4.19Å; W158-A166 HydrophobicContact CZ2-CB 4.3Å; W158-A166 HydrophobicContact CZ3-CB 4.06Å | ||
| 167 | V | 93.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -68.3 | -45.9 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | L146 I157 D159 | L146-V167 HydrophobicContact CD2-CG2 4.33Å; I157-V167 PolarHBondContact O-N 2.82Å; D159-V167 HydrophobicContact CB-CG2 3.52Å |
| 168 | E | 94.3 | Very high | 92 | Very high | 72 Ų | 72 | 63 Ų | 63 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154 | 179.8 | -78.9 | -60.7 | 164 | 0 | 0 | 112 | I157 L170 Y204 | I157-E168 HydrophobicContact CB-CB 4.17Å; I157-E168 HydrophobicContact CG1-CB 4.11Å; I157-E168 PolarHBondContact N-O 2.77Å; I157-E168 PolarHBondContact O-N 2.91Å; E168-L170 HydrophobicContact CB-CD1 4.43Å; E168-Y204 HydrophobicContact CG-CD2 4.22Å |
| 169 | Y | 93.8 | Very high | 91.7 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 43% | 0.431 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.2 | 179.6 | 170.4 | -97.6 | 0 | 0 | 0 | 110.4 | D154 R156 A171 | D154-Y169 HydrophobicContact CB-CE2 3.82Å; D154-Y169 VanDerWaalsContact CG-OH 3.26Å; D154-Y169 PolarHBondContact OD1-OH 2.88Å; D154-Y169 VanDerWaalsContact OD1-OH 3.06Å; D154-Y169 WeakPolarHBondContact OD2-CE2 3.44Å; D154-Y169 PolarHBondContact OD2-OH 3Å; R156-Y169 HydrophobicContact CG-CD2 3.98Å; Y169-A171 HydrophobicContact CE1-CB 4.37Å |
| 170 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.5 | -179 | -61.8 | 97.1 | 0 | 0 | 0 | 110 | D154 V155 I157 E168 A172 F190 W202 P207 | D154-L170 CarbonylContact C-O 3.55Å; D154-L170 WeakPolarHBondContact CA-O 3.43Å; V155-L170 HydrophobicContact CB-CB 4.42Å; V155-L170 PolarHBondContact N-O 2.92Å; V155-L170 PolarHBondContact O-N 3.49Å; I157-L170 HydrophobicContact CD1-CD1 4.33Å; I157-L170 HydrophobicContact CG1-CD1 3.92Å; E168-L170 HydrophobicContact CB-CD1 4.43Å; L170-A172 PolarHBondContact O-N 3.01Å; L170-F190 HydrophobicContact CD1-CE1 4.48Å; L170-F190 HydrophobicContact CD1-CZ 4.16Å; L170-F190 HydrophobicContact CD2-CE1 4.29Å; L170-F190 HydrophobicContact CD2-CZ 3.96Å; L170-W202 HydrophobicContact CD2-CB 4.13Å; L170-W202 HydrophobicContact CD2-CD2 3.99Å; L170-W202 HydrophobicContact CD2-CE3 3.64Å; L170-W202 HydrophobicContact CD2-CG 4.21Å; L170-W202 HydrophobicContact CD2-CZ3 4.38Å; L170-P207 HydrophobicContact CD2-CB 3.99Å; L170-P207 HydrophobicContact CG-CB 3.75Å |
| 171 | A | 93.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 61 Ų | 61 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | trans | -77.6 | 69.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y169 | Y169-A171 HydrophobicContact CE1-CB 4.37Š| ||
| 172 | A | 91.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -68.9 | -39 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G153 V155 L170 I177 R200 W202 | G153-A172 PolarHBondContact O-N 3.23Å; V155-A172 HydrophobicContact CG2-CB 4.18Å; L170-A172 PolarHBondContact O-N 3.01Å; A172-I177 HydrophobicContact CB-CD1 4.11Å; A172-R200 VanDerWaalsContact O-CD 3.32Å; A172-R200 WeakPolarHBondContact O-CD 3.43Å; A172-R200 PolarHBondContact O-NH1 2.83Å; A172-W202 VanDerWaalsContact CA-CZ2 3.46Å; A172-W202 HydrophobicContact CB-CZ2 3.84Å; A172-W202 VanDerWaalsContact O-CZ2 3.29Å; A172-W202 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 173 | H | 92.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | trans | -139.6 | 156.7 | -177.4 | -68.9 | -94.7 | 0 | 0 | 0 | 112 | G153 S175 I177 T192 S194 D196 S198 R200 | G153-H173 CarbonylContact C-O 3.52Å; G153-H173 VanDerWaalsContact CA-O 3.26Å; G153-H173 WeakPolarHBondContact CA-O 3.37Å; G153-H173 PolarHBondContact O-N 3.15Å; H173-S175 WeakPolarHBondContact CB-O 3.4Å; H173-S175 PolarHBondContact O-N 3.3Å; H173-I177 HydrophobicContact CB-CG1 4.26Å; H173-T192 PolarHBondContact CD2-OG1 3.22Å; H173-T192 WeakPolarHBondContact NE2-CB 3.49Å; H173-T192 PolarHBondContact NE2-O 2.88Å; H173-T192 PolarHBondContact NE2-OG1 3.44Å; H173-S194 WeakPolarHBondContact CB-OG 3.42Å; H173-S194 VanDerWaalsContact CE1-CB 3.41Å; H173-S194 WeakPolarHBondContact CE1-CB 3.29Å; H173-S194 VanDerWaalsContact CG-CB 3.42Å; H173-S194 WeakPolarHBondContact ND1-CB 3.2Å; H173-D196 IonicContact CE1-OD1 3.7Å; H173-D196 IonicContact CE1-OD2 2.86Å; H173-D196 IonicContact CG-OD2 3.96Å; H173-D196 VanDerWaalsContact ND1-CG 3.32Å; H173-D196 IonicContact ND1-OD1 3.71Å; H173-D196 PolarHBondContact ND1-OD1 2.62Å; H173-D196 VanDerWaalsContact ND1-OD1 3.16Å; H173-D196 IonicContact ND1-OD2 3.38Å; H173-D196 PolarHBondContact ND1-OD2 3.22Å; H173-S198 PolarHBondContact CE1-OG 3.41Å; H173-S198 VanDerWaalsContact CE1-OG 3.23Å; H173-S198 PolarHBondContact ND1-OG 3.33Å; H173-R200 VanDerWaalsContact CE1-CD 3.41Å; H173-R200 WeakPolarHBondContact CE1-CD 3.45Å; H173-R200 PolarHBondContact CE1-NE 3.25Å; H173-R200 PolarHBondContact ND1-NE 3.4Å | ||
| 174 | L | 88.7 | Confident | 91.6 | Very high | 176 Ų | 176 | 51 Ų | 51 | 92% | 0.921 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -83.2 | 0.2 | 173.5 | -63.3 | 177.9 | 0 | 0 | 0 | 112.9 | ||
| 175 | S | 90.1 | Very high | 91.4 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -149.1 | 168.7 | -176.5 | 84.2 | 0 | 0 | 0 | 0 | 110.8 | H173 I177 S194 Q195 D196 | H173-S175 WeakPolarHBondContact CB-O 3.4Å; H173-S175 PolarHBondContact O-N 3.3Å; S175-I177 PolarHBondContact O-N 3.24Å; S175-S194 PolarHBondContact O-OG 3Å; S175-S194 PolarHBondContact OG-OG 3.47Å; S175-Q195 VanDerWaalsContact OG-C 3.3Å; S175-Q195 WeakPolarHBondContact OG-CB 3.44Å; S175-D196 WeakPolarHBondContact OG-CB 3.41Å; S175-D196 PolarHBondContact OG-N 2.78Å |
| 176 | K | 90.1 | Very high | 91.5 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | trans | -55.5 | 129 | -169.8 | -174.2 | 164.6 | -179 | 171.3 | 0 | 113.4 | D152 S194 Q195 | D152-K176 CarbonylContact O-C 3.57Å; D152-K176 WeakPolarHBondContact O-CA 3.38Å; K176-S194 WeakPolarHBondContact O-CA 3.42Å; K176-S194 PolarHBondContact O-OG 2.92Å; K176-Q195 PolarHBondContact O-N 2.95Å | ||
| 177 | I | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.5 | 170.3 | -60.4 | 169.2 | 0 | 0 | 0 | 108.4 | D152 V155 A172 H173 S175 G179 T192 S193 | D152-I177 WeakPolarHBondContact O-CG1 3.25Å; D152-I177 PolarHBondContact O-N 3.08Å; V155-I177 HydrophobicContact CG2-CD1 3.63Å; A172-I177 HydrophobicContact CB-CD1 4.11Å; H173-I177 HydrophobicContact CB-CG1 4.26Å; S175-I177 PolarHBondContact O-N 3.24Å; I177-G179 VanDerWaalsContact CG2-O 3.24Å; I177-G179 WeakPolarHBondContact CG2-O 3.43Å; I177-T192 HydrophobicContact CD1-CG2 4.42Å; I177-T192 HydrophobicContact CG2-CG2 4.48Å; I177-S193 WeakPolarHBondContact CA-O 3.46Å |
| 178 | H | 89.9 | Confident | 91.5 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -25.7 | 178.8 | -61.1 | -57 | 0 | 0 | 0 | 112.6 | Q136 S193 Q195 W221 | Q136-H178 VanDerWaalsContact CG-O 3.28Å; Q136-H178 WeakPolarHBondContact CG-O 3.46Å; H178-S193 PolarHBondContact N-O 3.37Å; H178-Q195 PolarHBondContact NE2-OE1 3.07Å; H178-W221 CarbonylContact C-O 3.35Å; H178-W221 HydrophobicContact CB-CE3 4.28Å; H178-W221 WeakPolarHBondContact CB-O 3.34Å |
| 179 | G | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I177 T192 S193 | I177-G179 VanDerWaalsContact CG2-O 3.24Å; I177-G179 WeakPolarHBondContact CG2-O 3.43Å; G179-T192 WeakPolarHBondContact O-CA 3.4Å; G179-S193 WeakPolarHBondContact CA-OG 3.27Å; G179-S193 PolarHBondContact N-O 3.05Å; G179-S193 PolarHBondContact N-OG 2.97Å; G179-S193 PolarHBondContact O-N 3.02Å |
| 180 | L | 95.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 128.9 | 179.9 | -179.7 | 71.4 | 0 | 0 | 0 | 107 | Q136 K138 A148 V155 F190 A191 T192 | Q136-L180 HydrophobicContact CB-CB 3.96Å; Q136-L180 HydrophobicContact CB-CD2 4.47Å; K138-L180 HydrophobicContact CB-CD2 4.5Å; K138-L180 WeakPolarHBondContact CG-O 3.35Å; A148-L180 HydrophobicContact CB-CD1 4.45Å; A148-L180 HydrophobicContact CB-CD2 3.86Å; A148-L180 WeakPolarHBondContact O-CD2 3.36Å; V155-L180 HydrophobicContact CG1-CD1 4.32Å; V155-L180 HydrophobicContact CG2-CD1 4.34Å; L180-F190 HydrophobicContact CD1-CD2 3.65Å; L180-F190 HydrophobicContact CD1-CE2 4.02Å; L180-A191 WeakPolarHBondContact CA-O 3.32Å; L180-T192 HydrophobicContact CD1-CG2 3.84Å |
| 181 | D | 94.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 139.1 | 173.6 | -168.5 | 32.2 | 0 | 0 | 0 | 110.5 | R141 F190 A191 R224 Y225 | R141-D181 IonicContact CZ-OD1 3.05Å; R141-D181 VanDerWaalsContact CZ-OD1 3.27Å; R141-D181 IonicContact NH1-OD1 3.1Å; R141-D181 PolarHBondContact NH1-OD1 3.46Å; R141-D181 IonicContact NH1-OD2 3.65Å; R141-D181 PolarHBondContact NH1-OD2 2.9Å; R141-D181 IonicContact NH2-OD1 2.72Å; R141-D181 PolarHBondContact NH2-OD1 2.96Å; R141-D181 IonicContact NH2-OD2 3.93Å; D181-F190 WeakPolarHBondContact O-CA 3.32Å; D181-F190 WeakPolarHBondContact O-CB 3.45Å; D181-A191 PolarHBondContact N-O 3.43Å; D181-A191 VanDerWaalsContact N-O 3.13Å; D181-A191 PolarHBondContact O-N 3.07Å; D181-R224 HydrophobicContact CB-CG 4.34Å; D181-R224 WeakPolarHBondContact OD2-CA 3.46Å; D181-Y225 HydrophobicContact CB-CD2 4.27Å; D181-Y225 WeakPolarHBondContact O-CE2 3.37Å; D181-Y225 WeakPolarHBondContact OD2-CD2 3.22Å; D181-Y225 PolarHBondContact OD2-N 3.04Å |
| 182 | W | 94.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 142.9 | 177.9 | -75.5 | 101.4 | 0 | 0 | 0 | 111.1 | K138 N140 R141 A148 I157 E187 F190 Y204 Y225 | K138-W182 PolarHBondContact O-NE1 3.25Å; N140-W182 HydrophobicContact CB-CD2 4.26Å; N140-W182 HydrophobicContact CB-CZ2 4.13Å; N140-W182 WeakPolarHBondContact ND2-CH2 3.41Å; N140-W182 VanDerWaalsContact ND2-CZ3 3.29Å; N140-W182 WeakPolarHBondContact ND2-CZ3 3.48Å; R141-W182 PolarHBondContact NH1-O 3.05Å; A148-W182 HydrophobicContact CB-CH2 4.4Å; A148-W182 HydrophobicContact CB-CZ2 3.5Å; A148-W182 VanDerWaalsContact CB-CZ2 3.5Å; I157-W182 HydrophobicContact CD1-CH2 3.96Å; I157-W182 HydrophobicContact CD1-CZ2 4.21Å; I157-W182 HydrophobicContact CG2-CH2 4.36Å; W182-E187 WeakPolarHBondContact CZ3-O 3.39Å; W182-F190 HydrophobicContact CD2-CB 4.15Å; W182-F190 HydrophobicContact CE3-CB 3.82Å; W182-F190 HydrophobicContact CE3-CD1 4.44Å; W182-F190 HydrophobicContact CZ3-CB 4.28Å; W182-F190 HydrophobicContact CZ3-CD1 4.05Å; W182-Y204 AromaticContact CH2-CD1 3.75Å; W182-Y204 HydrophobicContact CH2-CD1 3.75Å; W182-Y204 AromaticContact CH2-CE1 3.6Å; W182-Y204 HydrophobicContact CH2-CE1 3.6Å; W182-Y204 AromaticContact CZ3-CD1 3.77Å; W182-Y204 HydrophobicContact CZ3-CD1 3.77Å; W182-Y204 AromaticContact CZ3-CE1 3.64Å; W182-Y204 HydrophobicContact CZ3-CE1 3.64Å; W182-Y225 VanDerWaalsContact O-CD2 3.3Å; W182-Y225 WeakPolarHBondContact O-CD2 3.22Å |
| 183 | H | 91 | Very high | 91.9 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | trans | -58.5 | 144.6 | 168.2 | -164.2 | -85.5 | 0 | 0 | 0 | 109.5 | D185 N186 V189 Y225 | H183-D185 PolarHBondContact ND1-N 3.5Å; H183-D185 VanDerWaalsContact ND1-N 3.19Å; H183-N186 HydrophobicContact CB-CB 4.33Å; H183-N186 PolarHBondContact ND1-N 3.07Å; H183-V189 HydrophobicContact CB-CB 3.92Å; H183-V189 HydrophobicContact CB-CG1 4.07Å; H183-V189 WeakPolarHBondContact CB-O 3.4Å; H183-V189 PolarHBondContact N-O 3.05Å; H183-Y225 HydrophobicContact CB-CE2 4.22Å; H183-Y225 AromaticContact CD2-CE1 3.49Å; H183-Y225 VanDerWaalsContact CD2-CE1 3.49Å; H183-Y225 WeakPolarHBondContact CD2-CE1 3.39Å; H183-Y225 AromaticContact CD2-CZ 3.81Å | ||
| 184 | R | 83.9 | Confident | 91.9 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 31% | 0.309 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -72.1 | -41.6 | -175.5 | -73.6 | -174.5 | 154.9 | -126.5 | -8.9 | 112.6 | R142 T226 P227 | R142-R184 WeakPolarHBondContact CG-O 3.42Å; R142-R184 PolarHBondContact NE-O 3.44Å; R184-T226 WeakPolarHBondContact CD-O 3.38Å; R184-P227 VanDerWaalsContact CZ-CA 3.4Å; R184-P227 PolarHBondContact NH1-O 2.99Å |
| 185 | D | 85.9 | Confident | 92 | Very high | 105 Ų | 105 | 31.4 Ų | 31.4 | 56% | 0.561 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -105.3 | -10.9 | -169.3 | -51.5 | -58.5 | 0 | 0 | 0 | 114.6 | R142 H183 | R142-D185 IonicContact CZ-OD1 2.69Å; R142-D185 IonicContact NH2-OD1 3.18Å; R142-D185 PolarHBondContact NH2-OD1 3.43Å; H183-D185 PolarHBondContact ND1-N 3.5Å; H183-D185 VanDerWaalsContact ND1-N 3.19Å |
| 186 | N | 89.7 | Confident | 92 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 31% | 0.31 | 15% | 0.152 | S | C | . | . | trans | -122 | 112.7 | -175.2 | -174.1 | -22.9 | 0 | 0 | 0 | 108.6 | H183 F188 V189 | H183-N186 HydrophobicContact CB-CB 4.33Å; H183-N186 PolarHBondContact ND1-N 3.07Å; N186-F188 PolarHBondContact O-N 3.47Å; N186-F188 PolarHBondContact OD1-N 3.01Å; N186-V189 HydrophobicContact CB-CB 4.24Å; N186-V189 HydrophobicContact CB-CG2 4.34Å; N186-V189 VanDerWaalsContact ND2-CG2 3.34Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.39Å; N186-V189 PolarHBondContact O-N 3.36Å | ||
| 187 | E | 92.4 | Very high | 92.1 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 28% | 0.28 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.4 | -178 | 75.5 | 176.9 | 129.6 | 0 | 0 | 112.9 | N140 R142 N143 W182 Y204 | N140-E187 PolarHBondContact ND2-O 3.16Å; R142-E187 HydrophobicContact CB-CB 3.71Å; N143-E187 WeakPolarHBondContact CB-OE2 3.36Å; N143-E187 PolarHBondContact ND2-OE2 3.44Å; W182-E187 WeakPolarHBondContact CZ3-O 3.39Å; E187-Y204 WeakPolarHBondContact O-CE1 3.49Å |
| 188 | F | 94.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 21% | 0.211 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -15.7 | -173.8 | -55.1 | -69.8 | 0 | 0 | 0 | 113.8 | N186 D203 Y204 R205 | N186-F188 PolarHBondContact O-N 3.47Å; N186-F188 PolarHBondContact OD1-N 3.01Å; F188-D203 WeakPolarHBondContact O-CA 3.38Å; F188-Y204 HydrophobicContact CB-CE1 4.4Å; F188-Y204 HydrophobicContact CD1-CE1 4.14Å; F188-Y204 AromaticContact CD1-CE2 3.91Å; F188-Y204 HydrophobicContact CD1-CE2 3.91Å; F188-Y204 AromaticContact CD1-CZ 3.56Å; F188-Y204 WeakPolarHBondContact CD1-OH 3.47Å; F188-Y204 HydrophobicContact CE1-CE2 4.47Å; F188-Y204 VanDerWaalsContact O-CD1 3.27Å; F188-Y204 WeakPolarHBondContact O-CD1 3.38Å; F188-Y204 PolarHBondContact O-N 3.25Å; F188-Y204 VanDerWaalsContact O-N 3.1Å; F188-R205 HydrophobicContact CB-CG 4.36Å; F188-R205 HydrophobicContact CD1-CG 3.56Å; F188-R205 VanDerWaalsContact CD2-CZ 3.41Å; F188-R205 VanDerWaalsContact CD2-NH1 3.33Å; F188-R205 HydrophobicContact CE1-CG 4.11Å; F188-R205 HydrophobicContact CG-CG 4.06Å; F188-R205 VanDerWaalsContact CG-NE 3.35Å |
| 189 | V | 94.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.3 | -167 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | H183 N186 W202 D203 L211 | H183-V189 HydrophobicContact CB-CB 3.92Å; H183-V189 HydrophobicContact CB-CG1 4.07Å; H183-V189 WeakPolarHBondContact CB-O 3.4Å; H183-V189 PolarHBondContact N-O 3.05Å; N186-V189 HydrophobicContact CB-CB 4.24Å; N186-V189 HydrophobicContact CB-CG2 4.34Å; N186-V189 VanDerWaalsContact ND2-CG2 3.34Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.39Å; N186-V189 PolarHBondContact O-N 3.36Å; V189-W202 WeakPolarHBondContact CA-O 3.3Å; V189-D203 HydrophobicContact CG2-CB 4.37Å; V189-L211 HydrophobicContact CG1-CD1 4.12Å; V189-L211 HydrophobicContact CG2-CD1 3.86Å |
| 190 | F | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 159.8 | 175.5 | 66.5 | -82.3 | 0 | 0 | 0 | 111.8 | V155 I157 L170 L180 D181 W182 T192 W202 | V155-F190 HydrophobicContact CB-CE2 4.22Å; V155-F190 HydrophobicContact CB-CZ 4.33Å; V155-F190 HydrophobicContact CG1-CE2 3.84Å; V155-F190 HydrophobicContact CG1-CZ 3.94Å; V155-F190 HydrophobicContact CG2-CE2 4.13Å; I157-F190 HydrophobicContact CD1-CE1 4.11Å; I157-F190 HydrophobicContact CD1-CZ 4.36Å; L170-F190 HydrophobicContact CD1-CE1 4.48Å; L170-F190 HydrophobicContact CD1-CZ 4.16Å; L170-F190 HydrophobicContact CD2-CE1 4.29Å; L170-F190 HydrophobicContact CD2-CZ 3.96Å; L180-F190 HydrophobicContact CD1-CD2 3.65Å; L180-F190 HydrophobicContact CD1-CE2 4.02Å; D181-F190 WeakPolarHBondContact O-CA 3.32Å; D181-F190 WeakPolarHBondContact O-CB 3.45Å; W182-F190 HydrophobicContact CD2-CB 4.15Å; W182-F190 HydrophobicContact CE3-CB 3.82Å; W182-F190 HydrophobicContact CE3-CD1 4.44Å; W182-F190 HydrophobicContact CZ3-CB 4.28Å; W182-F190 HydrophobicContact CZ3-CD1 4.05Å; F190-T192 HydrophobicContact CD2-CG2 3.86Å; F190-T192 HydrophobicContact CE2-CG2 3.58Å; F190-W202 HydrophobicContact CD1-CB 4.05Å; F190-W202 HydrophobicContact CD2-CB 4.44Å; F190-W202 HydrophobicContact CE1-CB 3.54Å; F190-W202 HydrophobicContact CE1-CG 4.42Å; F190-W202 HydrophobicContact CE2-CB 4Å; F190-W202 AromaticContact CE2-CD1 3.9Å; F190-W202 HydrophobicContact CE2-CG 4.14Å; F190-W202 HydrophobicContact CG-CB 4.48Å; F190-W202 HydrophobicContact CZ-CB 3.53Å; F190-W202 AromaticContact CZ-CG 3.94Å; F190-W202 HydrophobicContact CZ-CG 3.94Å; F190-W202 PolarHBondContact N-O 3.47Å; F190-W202 PolarHBondContact O-N 2.88Å |
| 191 | A | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L180 D181 V199 R200 F201 Y225 L232 | L180-A191 WeakPolarHBondContact CA-O 3.32Å; D181-A191 PolarHBondContact N-O 3.43Å; D181-A191 VanDerWaalsContact N-O 3.13Å; D181-A191 PolarHBondContact O-N 3.07Å; A191-V199 HydrophobicContact CB-CG1 4.32Å; A191-R200 WeakPolarHBondContact CA-O 3.24Å; A191-F201 HydrophobicContact CB-CD1 4.06Å; A191-F201 HydrophobicContact CB-CE1 4.12Å; A191-Y225 HydrophobicContact CB-CE2 3.79Å; A191-L232 HydrophobicContact CB-CD1 4.34Å |
| 192 | T | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.8 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | V155 H173 I177 G179 L180 F190 V199 R200 W202 | V155-T192 HydrophobicContact CG2-CG2 3.72Å; H173-T192 PolarHBondContact CD2-OG1 3.22Å; H173-T192 WeakPolarHBondContact NE2-CB 3.49Å; H173-T192 PolarHBondContact NE2-O 2.88Å; H173-T192 PolarHBondContact NE2-OG1 3.44Å; I177-T192 HydrophobicContact CD1-CG2 4.42Å; I177-T192 HydrophobicContact CG2-CG2 4.48Å; G179-T192 WeakPolarHBondContact O-CA 3.4Å; L180-T192 HydrophobicContact CD1-CG2 3.84Å; F190-T192 HydrophobicContact CD2-CG2 3.86Å; F190-T192 HydrophobicContact CE2-CG2 3.58Å; T192-V199 CarbonylContact O-C 3.45Å; T192-V199 VanDerWaalsContact O-CA 3.22Å; T192-V199 WeakPolarHBondContact O-CA 3.09Å; T192-V199 WeakPolarHBondContact O-CG1 3.35Å; T192-R200 PolarHBondContact N-O 3.44Å; T192-R200 PolarHBondContact O-N 2.81Å; T192-R200 PolarHBondContact OG1-O 3.4Å; T192-W202 PolarHBondContact OG1-NE1 3.12Å; T192-W202 VanDerWaalsContact OG1-NE1 3.14Å |
| 193 | S | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.6 | 173.6 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | I177 H178 G179 K222 A223 | I177-S193 WeakPolarHBondContact CA-O 3.46Å; H178-S193 PolarHBondContact N-O 3.37Å; G179-S193 WeakPolarHBondContact CA-OG 3.27Å; G179-S193 PolarHBondContact N-O 3.05Å; G179-S193 PolarHBondContact N-OG 2.97Å; G179-S193 PolarHBondContact O-N 3.02Å; S193-K222 WeakPolarHBondContact OG-CA 3.19Å; S193-A223 PolarHBondContact OG-N 3.13Å |
| 194 | S | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 163 | -168.8 | -178.4 | 0 | 0 | 0 | 0 | 113.9 | H173 S175 K176 D196 S198 V220 | H173-S194 WeakPolarHBondContact CB-OG 3.42Å; H173-S194 VanDerWaalsContact CE1-CB 3.41Å; H173-S194 WeakPolarHBondContact CE1-CB 3.29Å; H173-S194 VanDerWaalsContact CG-CB 3.42Å; H173-S194 WeakPolarHBondContact ND1-CB 3.2Å; S175-S194 PolarHBondContact O-OG 3Å; S175-S194 PolarHBondContact OG-OG 3.47Å; K176-S194 WeakPolarHBondContact O-CA 3.42Å; K176-S194 PolarHBondContact O-OG 2.92Å; S194-D196 WeakPolarHBondContact CB-OD1 3.49Å; S194-D196 PolarHBondContact O-N 3.47Å; S194-D196 PolarHBondContact OG-N 2.99Å; S194-S198 PolarHBondContact N-O 3.42Å; S194-S198 VanDerWaalsContact N-O 3.16Å; S194-V220 PolarHBondContact O-N 2.87Å |
| 195 | Q | 91.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 39% | 0.388 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.3 | 169.6 | -171.4 | 64 | 48.7 | 0 | 0 | 113.3 | S175 K176 H178 N197 | S175-Q195 VanDerWaalsContact OG-C 3.3Å; S175-Q195 WeakPolarHBondContact OG-CB 3.44Å; K176-Q195 PolarHBondContact O-N 2.95Å; H178-Q195 PolarHBondContact NE2-OE1 3.07Å; Q195-N197 PolarHBondContact O-N 2.73Å; Q195-N197 PolarHBondContact O-OD1 3.46Å |
| 196 | D | 90.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 14.2 | 178.4 | 72.8 | 2.2 | 0 | 0 | 0 | 114 | H173 S175 S194 S198 R200 | H173-D196 IonicContact CE1-OD1 3.7Å; H173-D196 IonicContact CE1-OD2 2.86Å; H173-D196 IonicContact CG-OD2 3.96Å; H173-D196 VanDerWaalsContact ND1-CG 3.32Å; H173-D196 IonicContact ND1-OD1 3.71Å; H173-D196 PolarHBondContact ND1-OD1 2.62Å; H173-D196 VanDerWaalsContact ND1-OD1 3.16Å; H173-D196 IonicContact ND1-OD2 3.38Å; H173-D196 PolarHBondContact ND1-OD2 3.22Å; S175-D196 WeakPolarHBondContact OG-CB 3.41Å; S175-D196 PolarHBondContact OG-N 2.78Å; S194-D196 WeakPolarHBondContact CB-OD1 3.49Å; S194-D196 PolarHBondContact O-N 3.47Å; S194-D196 PolarHBondContact OG-N 2.99Å; D196-S198 VanDerWaalsContact CG-OG 3.28Å; D196-S198 PolarHBondContact O-N 3.35Å; D196-S198 WeakPolarHBondContact OD1-CB 3.24Å; D196-S198 PolarHBondContact OD1-N 3.44Å; D196-S198 PolarHBondContact OD1-OG 2.96Å; D196-S198 PolarHBondContact OD2-OG 3.08Å; D196-R200 IonicContact OD2-CZ 2.83Å; D196-R200 IonicContact OD2-NE 3.93Å; D196-R200 IonicContact OD2-NH2 3.81Å; D196-R200 PolarHBondContact OD2-NH2 3.21Å |
| 197 | N | 91.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 62.8 | 15.4 | -175.1 | -48.3 | -11.8 | 0 | 0 | 0 | 114.5 | Q195 C216 V218 P219 | Q195-N197 PolarHBondContact O-N 2.73Å; Q195-N197 PolarHBondContact O-OD1 3.46Å; N197-C216 WeakPolarHBondContact CB-O 3.48Å; N197-C216 WeakPolarHBondContact O-CA 3.36Å; N197-C216 VanDerWaalsContact O-CB 3.31Å; N197-C216 WeakPolarHBondContact O-CB 3.44Å; N197-C216 PolarHBondContact O-N 2.74Å; N197-V218 WeakPolarHBondContact CA-O 3.35Å; N197-V218 WeakPolarHBondContact CB-O 3.46Å; N197-V218 VanDerWaalsContact CG-C 3.45Å; N197-V218 VanDerWaalsContact OD1-C 3.23Å; N197-P219 WeakPolarHBondContact OD1-CA 3.49Å; N197-P219 VanDerWaalsContact OD1-CD 3.23Å; N197-P219 WeakPolarHBondContact OD1-CD 3.44Å; N197-P219 WeakPolarHBondContact OD1-CG 3.34Å |
| 198 | S | 92.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 147 | 175.7 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | H173 S194 D196 R200 L214 | H173-S198 PolarHBondContact CE1-OG 3.41Å; H173-S198 VanDerWaalsContact CE1-OG 3.23Å; H173-S198 PolarHBondContact ND1-OG 3.33Å; S194-S198 PolarHBondContact N-O 3.42Å; S194-S198 VanDerWaalsContact N-O 3.16Å; D196-S198 VanDerWaalsContact CG-OG 3.28Å; D196-S198 PolarHBondContact O-N 3.35Å; D196-S198 WeakPolarHBondContact OD1-CB 3.24Å; D196-S198 PolarHBondContact OD1-N 3.44Å; D196-S198 PolarHBondContact OD1-OG 2.96Å; D196-S198 PolarHBondContact OD2-OG 3.08Å; S198-R200 PolarHBondContact OG-NE 2.85Å; S198-R200 VanDerWaalsContact OG-NE 3.1Å; S198-L214 VanDerWaalsContact CA-O 3.32Å; S198-L214 WeakPolarHBondContact CA-O 3.3Å |
| 199 | V | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.3 | 156.5 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | A191 T192 V213 L214 V220 A223 L232 T234 | A191-V199 HydrophobicContact CB-CG1 4.32Å; T192-V199 CarbonylContact O-C 3.45Å; T192-V199 VanDerWaalsContact O-CA 3.22Å; T192-V199 WeakPolarHBondContact O-CA 3.09Å; T192-V199 WeakPolarHBondContact O-CG1 3.35Å; V199-V213 WeakPolarHBondContact O-CA 3.43Å; V199-L214 HydrophobicContact CB-CB 4.17Å; V199-L214 HydrophobicContact CB-CD2 4.41Å; V199-L214 HydrophobicContact CG2-CD2 4.28Å; V199-L214 PolarHBondContact N-O 3.5Å; V199-L214 PolarHBondContact O-N 2.94Å; V199-V220 HydrophobicContact CG2-CB 4.13Å; V199-V220 HydrophobicContact CG2-CG1 3.84Å; V199-V220 HydrophobicContact CG2-CG2 4.01Å; V199-A223 HydrophobicContact CG1-CB 3.82Å; V199-A223 HydrophobicContact CG2-CB 4.05Å; V199-L232 HydrophobicContact CG1-CD2 4.09Å; V199-T234 HydrophobicContact CG2-CG2 4.11Å |
| 200 | R | 94.9 | Very high | 92.7 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.4 | -179.9 | -67.1 | 174.1 | -164.2 | -163.4 | -1.5 | 110.2 | A172 H173 A191 T192 D196 S198 W202 V213 | A172-R200 VanDerWaalsContact O-CD 3.32Å; A172-R200 WeakPolarHBondContact O-CD 3.43Å; A172-R200 PolarHBondContact O-NH1 2.83Å; H173-R200 VanDerWaalsContact CE1-CD 3.41Å; H173-R200 WeakPolarHBondContact CE1-CD 3.45Å; H173-R200 PolarHBondContact CE1-NE 3.25Å; H173-R200 PolarHBondContact ND1-NE 3.4Å; A191-R200 WeakPolarHBondContact CA-O 3.24Å; T192-R200 PolarHBondContact N-O 3.44Å; T192-R200 PolarHBondContact O-N 2.81Å; T192-R200 PolarHBondContact OG1-O 3.4Å; D196-R200 IonicContact OD2-CZ 2.83Å; D196-R200 IonicContact OD2-NE 3.93Å; D196-R200 IonicContact OD2-NH2 3.81Å; D196-R200 PolarHBondContact OD2-NH2 3.21Å; S198-R200 PolarHBondContact OG-NE 2.85Å; S198-R200 VanDerWaalsContact OG-NE 3.1Å; R200-W202 HydrophobicContact CB-CZ2 4.16Å; R200-W202 VanDerWaalsContact CB-NE1 3.33Å; R200-V213 HydrophobicContact CG-CB 4.34Å; R200-V213 HydrophobicContact CG-CG2 3.76Å |
| 201 | F | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.5 | 177.2 | -62.4 | -90.8 | 0 | 0 | 0 | 109.1 | A191 Y210 L211 S212 Y225 L232 I251 L254 | A191-F201 HydrophobicContact CB-CD1 4.06Å; A191-F201 HydrophobicContact CB-CE1 4.12Å; F201-Y210 CarbonylContact O-C 3.58Å; F201-Y210 WeakPolarHBondContact O-CA 3.44Å; F201-Y210 VanDerWaalsContact O-CB 3.3Å; F201-Y210 WeakPolarHBondContact O-CB 3.32Å; F201-L211 HydrophobicContact CB-CB 4.4Å; F201-L211 PolarHBondContact O-N 3.02Å; F201-S212 WeakPolarHBondContact CD2-OG 3.49Å; F201-S212 PolarHBondContact N-O 3.35Å; F201-Y225 HydrophobicContact CD1-CE1 4.38Å; F201-Y225 WeakPolarHBondContact CD1-OH 3.34Å; F201-Y225 HydrophobicContact CE1-CE1 4Å; F201-L232 HydrophobicContact CE1-CD1 4.29Å; F201-L232 HydrophobicContact CE1-CD2 4.47Å; F201-L232 HydrophobicContact CZ-CD1 4.49Å; F201-L232 HydrophobicContact CZ-CD2 3.88Å; F201-I251 HydrophobicContact CE1-CD1 4.4Å; F201-I251 HydrophobicContact CE1-CG1 4.12Å; F201-I251 HydrophobicContact CE1-CG2 4.34Å; F201-I251 HydrophobicContact CZ-CG1 4.18Å; F201-I251 HydrophobicContact CZ-CG2 4.44Å; F201-L254 HydrophobicContact CD2-CD1 4.23Å; F201-L254 HydrophobicContact CE2-CD1 3.72Å; F201-L254 HydrophobicContact CE2-CD2 3.98Å; F201-L254 HydrophobicContact CZ-CD2 4.2Å |
| 202 | W | 95.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.038 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.8 | -171.9 | -65.9 | 94.4 | 0 | 0 | 0 | 111.2 | L170 A172 V189 F190 T192 R200 Y210 | L170-W202 HydrophobicContact CD2-CB 4.13Å; L170-W202 HydrophobicContact CD2-CD2 3.99Å; L170-W202 HydrophobicContact CD2-CE3 3.64Å; L170-W202 HydrophobicContact CD2-CG 4.21Å; L170-W202 HydrophobicContact CD2-CZ3 4.38Å; A172-W202 VanDerWaalsContact CA-CZ2 3.46Å; A172-W202 HydrophobicContact CB-CZ2 3.84Å; A172-W202 VanDerWaalsContact O-CZ2 3.29Å; A172-W202 WeakPolarHBondContact O-CZ2 3.31Å; V189-W202 WeakPolarHBondContact CA-O 3.3Å; F190-W202 HydrophobicContact CD1-CB 4.05Å; F190-W202 HydrophobicContact CD2-CB 4.44Å; F190-W202 HydrophobicContact CE1-CB 3.54Å; F190-W202 HydrophobicContact CE1-CG 4.42Å; F190-W202 HydrophobicContact CE2-CB 4Å; F190-W202 AromaticContact CE2-CD1 3.9Å; F190-W202 HydrophobicContact CE2-CG 4.14Å; F190-W202 HydrophobicContact CG-CB 4.48Å; F190-W202 HydrophobicContact CZ-CB 3.53Å; F190-W202 AromaticContact CZ-CG 3.94Å; F190-W202 HydrophobicContact CZ-CG 3.94Å; F190-W202 PolarHBondContact N-O 3.47Å; F190-W202 PolarHBondContact O-N 2.88Å; T192-W202 PolarHBondContact OG1-NE1 3.12Å; T192-W202 VanDerWaalsContact OG1-NE1 3.14Å; R200-W202 HydrophobicContact CB-CZ2 4.16Å; R200-W202 VanDerWaalsContact CB-NE1 3.33Å; W202-Y210 HydrophobicContact CH2-CD1 4.2Å; W202-Y210 HydrophobicContact CZ2-CD1 4.36Å |
| 203 | D | 94.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.8 | 157.1 | -177.8 | -27.3 | 0 | 0 | 0 | 107 | F188 V189 R205 Q206 L211 | F188-D203 WeakPolarHBondContact O-CA 3.38Å; V189-D203 HydrophobicContact CG2-CB 4.37Å; D203-R205 PolarHBondContact O-N 2.72Å; D203-R205 VanDerWaalsContact O-N 3.15Å; D203-R205 WeakPolarHBondContact OD1-CB 3.34Å; D203-R205 VanDerWaalsContact OD1-CG 3.31Å; D203-R205 WeakPolarHBondContact OD1-CG 3.46Å; D203-R205 IonicContact OD1-CZ 3.95Å; D203-R205 PolarHBondContact OD1-N 3.3Å; D203-R205 IonicContact OD1-NE 3.09Å; D203-R205 PolarHBondContact OD1-NE 2.93Å; D203-R205 IonicContact OD1-NH2 3.99Å; D203-R205 IonicContact OD2-CZ 3.3Å; D203-R205 IonicContact OD2-NE 3.01Å; D203-R205 PolarHBondContact OD2-NE 2.85Å; D203-R205 VanDerWaalsContact OD2-NE 3.14Å; D203-R205 IonicContact OD2-NH2 2.84Å; D203-R205 PolarHBondContact OD2-NH2 2.8Å; D203-Q206 CarbonylContact O-C 3.52Å; D203-Q206 PolarHBondContact O-N 2.98Å; D203-L211 HydrophobicContact CB-CD1 4.17Å; D203-L211 HydrophobicContact CB-CD2 4.07Å; D203-L211 HydrophobicContact CB-CG 4.2Å |
| 204 | Y | 93.1 | Very high | 92 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.6 | -176.8 | 66.6 | -106.3 | 0 | 0 | 0 | 114 | L146 I157 E168 W182 E187 F188 Q206 P207 | L146-Y204 HydrophobicContact CD1-CE1 4.49Å; L146-Y204 WeakPolarHBondContact CD1-OH 3.43Å; I157-Y204 HydrophobicContact CD1-CD1 4.43Å; I157-Y204 HydrophobicContact CG1-CD1 4.27Å; I157-Y204 HydrophobicContact CG1-CG 4.06Å; E168-Y204 HydrophobicContact CG-CD2 4.22Å; W182-Y204 AromaticContact CH2-CD1 3.75Å; W182-Y204 HydrophobicContact CH2-CD1 3.75Å; W182-Y204 AromaticContact CH2-CE1 3.6Å; W182-Y204 HydrophobicContact CH2-CE1 3.6Å; W182-Y204 AromaticContact CZ3-CD1 3.77Å; W182-Y204 HydrophobicContact CZ3-CD1 3.77Å; W182-Y204 AromaticContact CZ3-CE1 3.64Å; W182-Y204 HydrophobicContact CZ3-CE1 3.64Å; E187-Y204 WeakPolarHBondContact O-CE1 3.49Å; F188-Y204 HydrophobicContact CB-CE1 4.4Å; F188-Y204 HydrophobicContact CD1-CE1 4.14Å; F188-Y204 AromaticContact CD1-CE2 3.91Å; F188-Y204 HydrophobicContact CD1-CE2 3.91Å; F188-Y204 AromaticContact CD1-CZ 3.56Å; F188-Y204 WeakPolarHBondContact CD1-OH 3.47Å; F188-Y204 HydrophobicContact CE1-CE2 4.47Å; F188-Y204 VanDerWaalsContact O-CD1 3.27Å; F188-Y204 WeakPolarHBondContact O-CD1 3.38Å; F188-Y204 PolarHBondContact O-N 3.25Å; F188-Y204 VanDerWaalsContact O-N 3.1Å; Y204-Q206 PolarHBondContact O-N 3.11Å; Y204-P207 WeakPolarHBondContact O-CD 3.29Å |
| 205 | R | 92.4 | Very high | 91.9 | Very high | 138 Ų | 138 | 63 Ų | 63 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.8 | 170.3 | -54 | 173.2 | -68.5 | -176.5 | 6.3 | 112.1 | F188 D203 P207 | F188-R205 HydrophobicContact CB-CG 4.36Å; F188-R205 HydrophobicContact CD1-CG 3.56Å; F188-R205 VanDerWaalsContact CD2-CZ 3.41Å; F188-R205 VanDerWaalsContact CD2-NH1 3.33Å; F188-R205 HydrophobicContact CE1-CG 4.11Å; F188-R205 HydrophobicContact CG-CG 4.06Å; F188-R205 VanDerWaalsContact CG-NE 3.35Å; D203-R205 PolarHBondContact O-N 2.72Å; D203-R205 VanDerWaalsContact O-N 3.15Å; D203-R205 WeakPolarHBondContact OD1-CB 3.34Å; D203-R205 VanDerWaalsContact OD1-CG 3.31Å; D203-R205 WeakPolarHBondContact OD1-CG 3.46Å; D203-R205 IonicContact OD1-CZ 3.95Å; D203-R205 PolarHBondContact OD1-N 3.3Å; D203-R205 IonicContact OD1-NE 3.09Å; D203-R205 PolarHBondContact OD1-NE 2.93Å; D203-R205 IonicContact OD1-NH2 3.99Å; D203-R205 IonicContact OD2-CZ 3.3Å; D203-R205 IonicContact OD2-NE 3.01Å; D203-R205 PolarHBondContact OD2-NE 2.85Å; D203-R205 VanDerWaalsContact OD2-NE 3.14Å; D203-R205 IonicContact OD2-NH2 2.84Å; D203-R205 PolarHBondContact OD2-NH2 2.8Å; R205-P207 VanDerWaalsContact C-CD 3.45Å |
| 206 | Q | 91.1 | Very high | 91.6 | Very high | 115 Ų | 115 | 59.8 Ų | 59.8 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -125.8 | 58.7 | 177.6 | -58.9 | -169.6 | 23.7 | 0 | 0 | 110.9 | D203 Y204 R208 K209 | D203-Q206 CarbonylContact O-C 3.52Å; D203-Q206 PolarHBondContact O-N 2.98Å; Y204-Q206 PolarHBondContact O-N 3.11Å; Q206-R208 PolarHBondContact O-N 3.46Å; Q206-K209 PolarHBondContact O-N 2.92Å; Q206-K209 VanDerWaalsContact O-O 3.1Å |
| 207 | P | 88.4 | Confident | 91.2 | Very high | 36 Ų | 36 | 65 Ų | 65 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.3 | -165.3 | 29.2 | -37.7 | 0 | 0 | 0 | 114.9 | L170 Y204 R205 | L170-P207 HydrophobicContact CD2-CB 3.99Å; L170-P207 HydrophobicContact CG-CB 3.75Å; Y204-P207 WeakPolarHBondContact O-CD 3.29Å; R205-P207 VanDerWaalsContact C-CD 3.45Å |
| 208 | R | 87.8 | Confident | 91 | Very high | 248 Ų | 248 | 62.8 Ų | 62.8 | 94% | 0.936 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.9 | 177.5 | -62.6 | -176.6 | -178.8 | 175.8 | 1.3 | 114.1 | Q206 | Q206-R208 PolarHBondContact O-N 3.46Š|
| 209 | K | 89.3 | Confident | 90.8 | Very high | 146 Ų | 146 | 63.1 Ų | 63.1 | 64% | 0.635 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -143.8 | 131.7 | -175.2 | -166.8 | -170 | 169.7 | -172.1 | 0 | 110.8 | Q206 | Q206-K209 PolarHBondContact O-N 2.92Å; Q206-K209 VanDerWaalsContact O-O 3.1Å |
| 210 | Y | 90.2 | Very high | 90.4 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 148.8 | 168 | 58.7 | -100 | 0 | 0 | 0 | 110.4 | F201 W202 S212 V213 | F201-Y210 CarbonylContact O-C 3.58Å; F201-Y210 WeakPolarHBondContact O-CA 3.44Å; F201-Y210 VanDerWaalsContact O-CB 3.3Å; F201-Y210 WeakPolarHBondContact O-CB 3.32Å; W202-Y210 HydrophobicContact CH2-CD1 4.2Å; W202-Y210 HydrophobicContact CZ2-CD1 4.36Å; Y210-S212 WeakPolarHBondContact CD2-O 3.3Å; Y210-V213 HydrophobicContact CD2-CB 4.07Å; Y210-V213 HydrophobicContact CD2-CG1 4.5Å; Y210-V213 HydrophobicContact CE2-CB 3.68Å; Y210-V213 HydrophobicContact CE2-CG1 3.65Å |
| 211 | L | 90.8 | Very high | 90 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -50.8 | 176.8 | -63.3 | 176.7 | 0 | 0 | 0 | 110.8 | V189 F201 D203 | V189-L211 HydrophobicContact CG1-CD1 4.12Å; V189-L211 HydrophobicContact CG2-CD1 3.86Å; F201-L211 HydrophobicContact CB-CB 4.4Å; F201-L211 PolarHBondContact O-N 3.02Å; D203-L211 HydrophobicContact CB-CD1 4.17Å; D203-L211 HydrophobicContact CB-CD2 4.07Å; D203-L211 HydrophobicContact CB-CG 4.2Å |
| 212 | S | 91.2 | Very high | 89.7 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 164.6 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | F201 Y210 | F201-S212 WeakPolarHBondContact CD2-OG 3.49Å; F201-S212 PolarHBondContact N-O 3.35Å; Y210-S212 WeakPolarHBondContact CD2-O 3.3Å |
| 213 | V | 93.4 | Very high | 89.6 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.8 | 177.3 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | V199 R200 Y210 | V199-V213 WeakPolarHBondContact O-CA 3.43Å; R200-V213 HydrophobicContact CG-CB 4.34Å; R200-V213 HydrophobicContact CG-CG2 3.76Å; Y210-V213 HydrophobicContact CD2-CB 4.07Å; Y210-V213 HydrophobicContact CD2-CG1 4.5Å; Y210-V213 HydrophobicContact CE2-CB 3.68Å; Y210-V213 HydrophobicContact CE2-CG1 3.65Å |
| 214 | L | 92.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.9 | 167.9 | 174.6 | 64.2 | 0 | 0 | 0 | 107.8 | S198 V199 L232 T234 W249 L254 | S198-L214 VanDerWaalsContact CA-O 3.32Å; S198-L214 WeakPolarHBondContact CA-O 3.3Å; V199-L214 HydrophobicContact CB-CB 4.17Å; V199-L214 HydrophobicContact CB-CD2 4.41Å; V199-L214 HydrophobicContact CG2-CD2 4.28Å; V199-L214 PolarHBondContact N-O 3.5Å; V199-L214 PolarHBondContact O-N 2.94Å; L214-L232 HydrophobicContact CD2-CD2 4.3Å; L214-T234 HydrophobicContact CD2-CG2 4.01Å; L214-W249 HydrophobicContact CD1-CD2 3.85Å; L214-W249 HydrophobicContact CD1-CE3 3.6Å; L214-W249 HydrophobicContact CD1-CH2 3.81Å; L214-W249 HydrophobicContact CD1-CZ2 4.03Å; L214-W249 HydrophobicContact CD1-CZ3 3.58Å; L214-W249 HydrophobicContact CD2-CD2 3.86Å; L214-W249 HydrophobicContact CD2-CE3 4.47Å; L214-W249 HydrophobicContact CD2-CG 3.99Å; L214-W249 HydrophobicContact CD2-CZ2 4.28Å; L214-L254 HydrophobicContact CB-CD1 4.44Å; L214-L254 HydrophobicContact CB-CD2 4.25Å; L214-L254 HydrophobicContact CD1-CB 4.15Å; L214-L254 HydrophobicContact CD1-CD2 4.37Å; L214-L254 WeakPolarHBondContact CD1-O 3.41Å |
| 215 | S | 89.8 | Confident | 89.4 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 102.1 | 178.6 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 216 | C | 85.3 | Confident | 89.3 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | trans | -82.3 | 160.8 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | N197 V218 V220 | N197-C216 WeakPolarHBondContact CB-O 3.48Å; N197-C216 WeakPolarHBondContact O-CA 3.36Å; N197-C216 VanDerWaalsContact O-CB 3.31Å; N197-C216 WeakPolarHBondContact O-CB 3.44Å; N197-C216 PolarHBondContact O-N 2.74Å; C216-V218 VanDerWaalsContact C-N 3.27Å; C216-V218 WeakPolarHBondContact CB-O 3.41Å; C216-V220 HydrophobicContact CB-CG2 3.83Å; C216-V220 VanDerWaalsContact SG-CG2 3.57Å | ||
| 217 | Q | 82.8 | Confident | 88.8 | Confident | 158 Ų | 158 | 55 Ų | 55 | 74% | 0.738 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -82.6 | -6.3 | 175.1 | -63.8 | -62.2 | -36.2 | 0 | 0 | 113.3 | ||
| 218 | V | 85.8 | Confident | 88.3 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -147.5 | 159.8 | -171.9 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | N197 C216 M236 Q239 | N197-V218 WeakPolarHBondContact CA-O 3.35Å; N197-V218 WeakPolarHBondContact CB-O 3.46Å; N197-V218 VanDerWaalsContact CG-C 3.45Å; N197-V218 VanDerWaalsContact OD1-C 3.23Å; C216-V218 VanDerWaalsContact C-N 3.27Å; C216-V218 WeakPolarHBondContact CB-O 3.41Å; V218-M236 HydrophobicContact CG2-CB 3.64Å; V218-M236 HydrophobicContact CG2-CG 3.68Å; V218-M236 HydrophobicContact CG2-SD 3.44Å; V218-M236 WeakPolarHBondContact CG2-SD 3.24Å; V218-Q239 HydrophobicContact CB-CG 4.17Å; V218-Q239 HydrophobicContact CG1-CG 3.5Å; V218-Q239 VanDerWaalsContact CG1-CG 3.5Å |
| 219 | P | 87.8 | Confident | 87.5 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -59.1 | 141.4 | 178.9 | -24.7 | 34.4 | 0 | 0 | 0 | 111.5 | N197 V237 | N197-P219 WeakPolarHBondContact OD1-CA 3.49Å; N197-P219 VanDerWaalsContact OD1-CD 3.23Å; N197-P219 WeakPolarHBondContact OD1-CD 3.44Å; N197-P219 WeakPolarHBondContact OD1-CG 3.34Å; P219-V237 HydrophobicContact CB-CB 4.06Å; P219-V237 HydrophobicContact CB-CG2 3.9Å; P219-V237 PolarHBondContact O-N 3.1Å | ||
| 220 | V | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.6 | -179.7 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | S194 V199 C216 T234 V235 | S194-V220 PolarHBondContact O-N 2.87Å; V199-V220 HydrophobicContact CG2-CB 4.13Å; V199-V220 HydrophobicContact CG2-CG1 3.84Å; V199-V220 HydrophobicContact CG2-CG2 4.01Å; C216-V220 HydrophobicContact CB-CG2 3.83Å; C216-V220 VanDerWaalsContact SG-CG2 3.57Å; V220-T234 HydrophobicContact CG1-CG2 4.38Å; V220-V235 WeakPolarHBondContact CG1-O 3.47Å |
| 221 | W | 85.9 | Confident | 87 | Confident | 109 Ų | 109 | 35.2 Ų | 35.2 | 41% | 0.413 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -48.1 | -178.8 | -178.3 | -118.3 | 0 | 0 | 0 | 111.1 | H178 V235 V237 L269 | H178-W221 CarbonylContact C-O 3.35Å; H178-W221 HydrophobicContact CB-CE3 4.28Å; H178-W221 WeakPolarHBondContact CB-O 3.34Å; W221-V235 HydrophobicContact CB-CG1 4.2Å; W221-V235 PolarHBondContact N-O 2.96Å; W221-V237 HydrophobicContact CB-CG2 3.9Å; W221-V237 HydrophobicContact CE3-CG2 4.33Å; W221-L269 PolarHBondContact NE1-O 3.05Å |
| 222 | K | 89.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 137 | -178.5 | -149 | 156.7 | -161.4 | 163.6 | 0 | 110.9 | S193 T234 V235 E270 F271 | S193-K222 WeakPolarHBondContact OG-CA 3.19Å; K222-T234 WeakPolarHBondContact O-CA 3.47Å; K222-V235 PolarHBondContact N-O 2.95Å; K222-V235 PolarHBondContact O-N 3.31Å; K222-E270 VanDerWaalsContact CE-OE1 3.31Å; K222-E270 WeakPolarHBondContact CE-OE1 3.42Å; K222-E270 IonicContact NZ-OE1 3.15Å; K222-E270 PolarHBondContact NZ-OE1 3.01Å; K222-E270 IonicContact NZ-OE2 2.69Å; K222-E270 PolarHBondContact NZ-OE2 2.77Å; K222-F271 HydrophobicContact CB-CE1 4.15Å |
| 223 | A | 92.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S193 V199 L232 V233 T234 | S193-A223 PolarHBondContact OG-N 3.13Å; V199-A223 HydrophobicContact CG1-CB 3.82Å; V199-A223 HydrophobicContact CG2-CB 4.05Å; A223-L232 HydrophobicContact CB-CD1 4.27Å; A223-L232 HydrophobicContact CB-CD2 4.18Å; A223-L232 HydrophobicContact CB-CG 4.47Å; A223-V233 WeakPolarHBondContact CA-O 3.48Å; A223-T234 HydrophobicContact CB-CG2 4.12Å |
| 224 | R | 92.2 | Very high | 87 | Confident | 19 Ų | 19 | 27 Ų | 27 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.1 | 177.1 | -67 | -179.1 | 162.4 | 177.1 | -7.5 | 110.9 | D181 L232 V233 E270 F271 | D181-R224 HydrophobicContact CB-CG 4.34Å; D181-R224 WeakPolarHBondContact OD2-CA 3.46Å; R224-L232 WeakPolarHBondContact O-CD1 3.06Å; R224-V233 PolarHBondContact N-O 3.33Å; R224-V233 PolarHBondContact O-N 3.07Å; R224-E270 IonicContact CZ-OE1 3.33Å; R224-E270 IonicContact NE-OE1 2.71Å; R224-E270 IonicContact NH1-OE1 3.8Å; R224-E270 PolarHBondContact NH1-OE1 2.89Å; R224-E270 VanDerWaalsContact NH1-OE1 3.11Å; R224-E270 IonicContact NH2-OE1 3.51Å; R224-E270 PolarHBondContact NH2-OE1 3.36Å; R224-F271 HydrophobicContact CB-CE2 3.75Å; R224-F271 HydrophobicContact CB-CZ 3.74Å; R224-F271 HydrophobicContact CG-CE2 4.09Å; R224-F271 HydrophobicContact CG-CZ 3.83Å; R224-F271 PolarHBondContact NH1-O 3.34Å |
| 225 | Y | 91.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 147.1 | 174.3 | -69.4 | -81 | 0 | 0 | 0 | 111.1 | D181 W182 H183 A191 F201 L232 I251 W273 | D181-Y225 HydrophobicContact CB-CD2 4.27Å; D181-Y225 WeakPolarHBondContact O-CE2 3.37Å; D181-Y225 WeakPolarHBondContact OD2-CD2 3.22Å; D181-Y225 PolarHBondContact OD2-N 3.04Å; W182-Y225 VanDerWaalsContact O-CD2 3.3Å; W182-Y225 WeakPolarHBondContact O-CD2 3.22Å; H183-Y225 HydrophobicContact CB-CE2 4.22Å; H183-Y225 AromaticContact CD2-CE1 3.49Å; H183-Y225 VanDerWaalsContact CD2-CE1 3.49Å; H183-Y225 WeakPolarHBondContact CD2-CE1 3.39Å; H183-Y225 AromaticContact CD2-CZ 3.81Å; A191-Y225 HydrophobicContact CB-CE2 3.79Å; F201-Y225 HydrophobicContact CD1-CE1 4.38Å; F201-Y225 WeakPolarHBondContact CD1-OH 3.34Å; F201-Y225 HydrophobicContact CE1-CE1 4Å; Y225-L232 HydrophobicContact CD1-CD1 4.33Å; Y225-L232 HydrophobicContact CE1-CD1 4.49Å; Y225-L232 HydrophobicContact CG-CD1 4.49Å; Y225-I251 HydrophobicContact CD1-CD1 3.69Å; Y225-I251 HydrophobicContact CE1-CD1 3.51Å; Y225-W273 PolarHBondContact O-NE1 3.33Å |
| 226 | T | 89.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | trans | -66.7 | 154.5 | 167.2 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | R184 F228 G231 V233 L248 W273 | R184-T226 WeakPolarHBondContact CD-O 3.38Å; T226-F228 VanDerWaalsContact C-N 3.32Å; T226-F228 WeakPolarHBondContact CB-O 3.26Å; T226-F228 HydrophobicContact CG2-CE1 4.33Å; T226-F228 HydrophobicContact CG2-CE2 4.04Å; T226-F228 HydrophobicContact CG2-CZ 3.75Å; T226-F228 PolarHBondContact OG1-O 3.36Å; T226-G231 PolarHBondContact N-O 2.97Å; T226-G231 WeakPolarHBondContact OG1-CA 3.31Å; T226-G231 PolarHBondContact OG1-N 2.87Å; T226-G231 VanDerWaalsContact OG1-N 3.12Å; T226-G231 PolarHBondContact OG1-O 3.12Å; T226-V233 HydrophobicContact CG2-CG2 4.41Å; T226-L248 HydrophobicContact CG2-CD1 3.58Å; T226-W273 HydrophobicContact CG2-CH2 4.29Å; T226-W273 HydrophobicContact CG2-CZ2 3.71Å | ||
| 227 | P | 81.7 | Confident | 86 | Confident | 24 Ų | 24 | 26.2 Ų | 26.2 | 16% | 0.156 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -78.1 | -19.2 | 177.5 | 27.1 | -30.9 | 0 | 0 | 0 | 114.2 | R184 W273 F283 | R184-P227 VanDerWaalsContact CZ-CA 3.4Å; R184-P227 PolarHBondContact NH1-O 2.99Å; P227-W273 HydrophobicContact CG-CB 4.06Å; P227-W273 HydrophobicContact CG-CD2 3.69Å; P227-W273 HydrophobicContact CG-CE3 3.74Å; P227-W273 HydrophobicContact CG-CG 3.83Å; P227-W273 HydrophobicContact CG-CZ3 4.39Å; P227-F283 HydrophobicContact CB-CD1 4.06Å; P227-F283 HydrophobicContact CB-CE1 4.02Å; P227-F283 HydrophobicContact CG-CD1 3.53Å; P227-F283 HydrophobicContact CG-CE1 4Å; P227-F283 HydrophobicContact CG-CG 4.24Å |
| 228 | F | 77.3 | Confident | 85 | Confident | 20 Ų | 20 | 21 Ų | 21 | 9% | 0.088 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -112.3 | 157.3 | 171.3 | 52.3 | -83.3 | 0 | 0 | 0 | 108.9 | T226 W273 F283 V299 Q304 | T226-F228 VanDerWaalsContact C-N 3.32Å; T226-F228 WeakPolarHBondContact CB-O 3.26Å; T226-F228 HydrophobicContact CG2-CE1 4.33Å; T226-F228 HydrophobicContact CG2-CE2 4.04Å; T226-F228 HydrophobicContact CG2-CZ 3.75Å; T226-F228 PolarHBondContact OG1-O 3.36Å; F228-W273 HydrophobicContact CE1-CE3 4.5Å; F228-W273 AromaticContact CE1-CH2 3.75Å; F228-W273 HydrophobicContact CE1-CH2 3.75Å; F228-W273 HydrophobicContact CE1-CZ2 4.43Å; F228-W273 AromaticContact CE1-CZ3 3.77Å; F228-W273 HydrophobicContact CE1-CZ3 3.77Å; F228-W273 AromaticContact CZ-CH2 3.89Å; F228-W273 HydrophobicContact CZ-CH2 3.89Å; F228-W273 HydrophobicContact CZ-CZ3 4.34Å; F228-F283 HydrophobicContact CB-CD2 3.99Å; F228-F283 HydrophobicContact CB-CE2 3.61Å; F228-F283 HydrophobicContact CB-CZ 3.9Å; F228-F283 HydrophobicContact CD1-CB 3.68Å; F228-F283 AromaticContact CD1-CD1 3.82Å; F228-F283 HydrophobicContact CD1-CD1 3.82Å; F228-F283 AromaticContact CD1-CD2 3.33Å; F228-F283 HydrophobicContact CD1-CD2 3.33Å; F228-F283 HydrophobicContact CD1-CE1 4.26Å; F228-F283 AromaticContact CD1-CE2 3.86Å; F228-F283 HydrophobicContact CD1-CE2 3.86Å; F228-F283 AromaticContact CD1-CG 3.3Å; F228-F283 HydrophobicContact CD1-CG 3.3Å; F228-F283 HydrophobicContact CD1-CZ 4.28Å; F228-F283 HydrophobicContact CE1-CB 3.63Å; F228-F283 HydrophobicContact CE1-CD1 4.49Å; F228-F283 HydrophobicContact CE1-CD2 4.11Å; F228-F283 AromaticContact CE1-CG 3.83Å; F228-F283 HydrophobicContact CE1-CG 3.83Å; F228-F283 AromaticContact CG-CD2 3.85Å; F228-F283 HydrophobicContact CG-CD2 3.85Å; F228-F283 HydrophobicContact CG-CE2 4.02Å; F228-F283 HydrophobicContact CG-CG 4.25Å; F228-V299 HydrophobicContact CE1-CG1 4.41Å; F228-V299 HydrophobicContact CE2-CG1 4.44Å; F228-V299 HydrophobicContact CZ-CB 4.47Å; F228-V299 HydrophobicContact CZ-CG1 3.81Å; F228-Q304 HydrophobicContact CD2-CB 3.71Å; F228-Q304 HydrophobicContact CD2-CG 3.72Å; F228-Q304 HydrophobicContact CE2-CB 4.01Å; F228-Q304 HydrophobicContact CE2-CG 3.79Å; F228-Q304 HydrophobicContact CG-CB 4.44Å; F228-Q304 HydrophobicContact CG-CG 4.16Å; F228-Q304 HydrophobicContact CZ-CG 4.24Å |
| 229 | S | 70.4 | Confident | 83.6 | Confident | 42 Ų | 42 | 24.5 Ų | 24.5 | 29% | 0.294 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -179.6 | 165.2 | 79.2 | 0 | 0 | 0 | 0 | 116.6 | G231 C307 | S229-G231 PolarHBondContact O-N 2.79Å; S229-C307 WeakPolarHBondContact CB-O 2.99Å; S229-C307 WeakPolarHBondContact OG-CB 3.26Å |
| 230 | S | 82.1 | Confident | 81.6 | Confident | 41 Ų | 41 | 31.8 Ų | 31.8 | 29% | 0.287 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 55.9 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | I251 C307 | S230-I251 WeakPolarHBondContact O-CB 3.45Å; S230-I251 WeakPolarHBondContact O-CD1 3.4Å; S230-I251 VanDerWaalsContact O-CG1 3.27Å; S230-I251 WeakPolarHBondContact O-CG1 3.49Å; S230-I251 PolarHBondContact O-N 2.77Å; S230-C307 CarbonylContact C-O 3.55Å; S230-C307 WeakPolarHBondContact CA-O 3.2Å; S230-C307 PolarHBondContact N-O 2.94Å |
| 231 | G | 88.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 158.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T226 S229 W249 | T226-G231 PolarHBondContact N-O 2.97Å; T226-G231 WeakPolarHBondContact OG1-CA 3.31Å; T226-G231 PolarHBondContact OG1-N 2.87Å; T226-G231 VanDerWaalsContact OG1-N 3.12Å; T226-G231 PolarHBondContact OG1-O 3.12Å; S229-G231 PolarHBondContact O-N 2.79Å; G231-W249 CarbonylContact C-O 3.6Å; G231-W249 VanDerWaalsContact CA-O 3.3Å; G231-W249 WeakPolarHBondContact CA-O 3.4Å |
| 232 | L | 91.8 | Very high | 78 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.1 | 174.8 | -173.8 | 86.9 | 0 | 0 | 0 | 110.3 | A191 V199 F201 L214 A223 R224 Y225 T234 L248 W249 I251 | A191-L232 HydrophobicContact CB-CD1 4.34Å; V199-L232 HydrophobicContact CG1-CD2 4.09Å; F201-L232 HydrophobicContact CE1-CD1 4.29Å; F201-L232 HydrophobicContact CE1-CD2 4.47Å; F201-L232 HydrophobicContact CZ-CD1 4.49Å; F201-L232 HydrophobicContact CZ-CD2 3.88Å; L214-L232 HydrophobicContact CD2-CD2 4.3Å; A223-L232 HydrophobicContact CB-CD1 4.27Å; A223-L232 HydrophobicContact CB-CD2 4.18Å; A223-L232 HydrophobicContact CB-CG 4.47Å; R224-L232 WeakPolarHBondContact O-CD1 3.06Å; Y225-L232 HydrophobicContact CD1-CD1 4.33Å; Y225-L232 HydrophobicContact CE1-CD1 4.49Å; Y225-L232 HydrophobicContact CG-CD1 4.49Å; L232-T234 HydrophobicContact CD2-CG2 3.66Å; L232-T234 HydrophobicContact CG-CG2 4.33Å; L232-L248 CarbonylContact O-C 3.34Å; L232-L248 WeakPolarHBondContact O-CA 3.35Å; L232-W249 HydrophobicContact CB-CB 4.5Å; L232-W249 PolarHBondContact N-O 3.3Å; L232-W249 PolarHBondContact O-N 3.29Å; L232-I251 HydrophobicContact CB-CG1 4.37Å |
| 233 | V | 92.7 | Very high | 76.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.4 | 168.4 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | A223 R224 T226 L246 L247 L248 F261 F271 W273 | A223-V233 WeakPolarHBondContact CA-O 3.48Å; R224-V233 PolarHBondContact N-O 3.33Å; R224-V233 PolarHBondContact O-N 3.07Å; T226-V233 HydrophobicContact CG2-CG2 4.41Å; V233-L246 HydrophobicContact CG1-CB 4.2Å; V233-L246 HydrophobicContact CG1-CD2 4.16Å; V233-L247 CarbonylContact C-O 3.39Å; V233-L247 WeakPolarHBondContact CA-O 3.5Å; V233-L248 HydrophobicContact CG2-CB 4.43Å; V233-L248 HydrophobicContact CG2-CD1 3.74Å; V233-F261 HydrophobicContact CG2-CE2 4.37Å; V233-F271 HydrophobicContact CB-CE2 3.85Å; V233-F271 HydrophobicContact CB-CZ 4.14Å; V233-F271 HydrophobicContact CG1-CD2 4.17Å; V233-F271 HydrophobicContact CG1-CE1 4.49Å; V233-F271 HydrophobicContact CG1-CE2 3.71Å; V233-F271 HydrophobicContact CG1-CZ 3.88Å; V233-F271 WeakPolarHBondContact O-CZ 3.23Å; V233-W273 HydrophobicContact CG2-CH2 4.47Å; V233-W273 HydrophobicContact CG2-CZ2 3.66Å |
| 234 | T | 90.9 | Very high | 75.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.6 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | V199 L214 V220 K222 A223 L232 L247 W249 | V199-T234 HydrophobicContact CG2-CG2 4.11Å; L214-T234 HydrophobicContact CD2-CG2 4.01Å; V220-T234 HydrophobicContact CG1-CG2 4.38Å; K222-T234 WeakPolarHBondContact O-CA 3.47Å; A223-T234 HydrophobicContact CB-CG2 4.12Å; L232-T234 HydrophobicContact CD2-CG2 3.66Å; L232-T234 HydrophobicContact CG-CG2 4.33Å; T234-L247 PolarHBondContact N-O 3.11Å; T234-L247 PolarHBondContact O-N 2.84Å; T234-L247 PolarHBondContact OG1-O 3.3Å; T234-W249 PolarHBondContact OG1-NE1 3.09Å |
| 235 | V | 88.6 | Confident | 75.2 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.8 | 164.1 | 173.9 | 0 | 0 | 0 | 0 | 109 | V220 W221 K222 L246 V268 F271 | V220-V235 WeakPolarHBondContact CG1-O 3.47Å; W221-V235 HydrophobicContact CB-CG1 4.2Å; W221-V235 PolarHBondContact N-O 2.96Å; K222-V235 PolarHBondContact N-O 2.95Å; K222-V235 PolarHBondContact O-N 3.31Å; V235-L246 HydrophobicContact CG2-CD2 3.58Å; V235-L246 HydrophobicContact CG2-CG 3.87Å; V235-V268 HydrophobicContact CG1-CB 4.29Å; V235-V268 HydrophobicContact CG2-CG1 4.15Å; V235-F271 HydrophobicContact CB-CD1 4.48Å; V235-F271 HydrophobicContact CB-CE1 4.33Å; V235-F271 HydrophobicContact CG2-CD1 3.37Å; V235-F271 HydrophobicContact CG2-CE1 3.55Å; V235-F271 HydrophobicContact CG2-CG 4.42Å |
| 236 | M | 83.2 | Confident | 75.1 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 147.4 | 175.6 | -67.8 | -177.2 | -65.8 | 0 | 0 | 111 | V218 P238 L247 | V218-M236 HydrophobicContact CG2-CB 3.64Å; V218-M236 HydrophobicContact CG2-CG 3.68Å; V218-M236 HydrophobicContact CG2-SD 3.44Å; V218-M236 WeakPolarHBondContact CG2-SD 3.24Å; M236-P238 WeakPolarHBondContact O-CD 3.41Å; M236-L247 HydrophobicContact CE-CD1 3.62Å; M236-L247 HydrophobicContact CE-CG 3.97Å; M236-L247 HydrophobicContact SD-CD1 3.92Å |
| 237 | V | 73.6 | Confident | 75.1 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 121.6 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | P219 W221 Q239 | P219-V237 HydrophobicContact CB-CB 4.06Å; P219-V237 HydrophobicContact CB-CG2 3.9Å; P219-V237 PolarHBondContact O-N 3.1Å; W221-V237 HydrophobicContact CB-CG2 3.9Å; W221-V237 HydrophobicContact CE3-CG2 4.33Å; V237-Q239 PolarHBondContact O-N 2.96Å; V237-Q239 PolarHBondContact O-NE2 3.15Å |
| 238 | P | 61.8 | Low | 75.6 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 31% | 0.312 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -56 | 130.6 | -178.3 | -3 | -1.3 | 0 | 0 | 0 | 111.8 | M236 N244 V267 | M236-P238 WeakPolarHBondContact O-CD 3.41Å; P238-N244 WeakPolarHBondContact CB-OD1 3.32Å; P238-V267 HydrophobicContact CB-CG2 4.42Å; P238-V267 HydrophobicContact CG-CB 3.89Å; P238-V267 HydrophobicContact CG-CG1 3.58Å; P238-V267 HydrophobicContact CG-CG2 3.38Å |
| 239 | Q | 56.5 | Low | 76.2 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -99 | 147.7 | 165 | -59.4 | -55.1 | -51.4 | 0 | 0 | 108.2 | V218 V237 R241 R242 | V218-Q239 HydrophobicContact CB-CG 4.17Å; V218-Q239 HydrophobicContact CG1-CG 3.5Å; V218-Q239 VanDerWaalsContact CG1-CG 3.5Å; V237-Q239 PolarHBondContact O-N 2.96Å; V237-Q239 PolarHBondContact O-NE2 3.15Å; Q239-R241 PolarHBondContact O-N 3.03Å; Q239-R241 VanDerWaalsContact O-N 3.1Å; Q239-R242 PolarHBondContact O-N 2.84Å; Q239-R242 VanDerWaalsContact O-N 3.16Å |
| 240 | L | 45 | Very low | 77.1 | Confident | 166 Ų | 166 | 51 Ų | 51 | 87% | 0.869 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | 123 | 175 | -105.5 | 76.1 | 0 | 0 | 0 | 109.8 | ||
| 241 | R | 45.4 | Very low | 77.3 | Confident | 253 Ų | 253 | 50.9 Ų | 50.9 | 96% | 0.955 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 32.8 | -179.8 | -43.7 | 179 | -179 | -171.7 | -0.7 | 117.1 | Q239 | Q239-R241 PolarHBondContact O-N 3.03Å; Q239-R241 VanDerWaalsContact O-N 3.1Å |
| 242 | R | 53.4 | Low | 77.1 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 56% | 0.562 | 26% | 0.262 | S | S | * | . | trans | -120.2 | 153.4 | 164 | -69.2 | -167.7 | 178 | -163 | -0.3 | 111.7 | Q239 | Q239-R242 PolarHBondContact O-N 2.84Å; Q239-R242 VanDerWaalsContact O-N 3.16Å | ||
| 243 | E | 59.1 | Low | 76.7 | Confident | 140 Ų | 140 | 58.8 Ų | 58.8 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | trans | -64.8 | 141.9 | 175.6 | -61.4 | 171.9 | -172.2 | 0 | 0 | 111.2 | S245 | E243-S245 WeakPolarHBondContact CB-OG 3.29Å; E243-S245 PolarHBondContact O-N 3.19Å | ||
| 244 | N | 73.2 | Confident | 76.4 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | trans | -83.9 | 49.6 | -178.9 | -66.2 | -55.9 | 0 | 0 | 0 | 112 | P238 D265 D266 V268 | P238-N244 WeakPolarHBondContact CB-OD1 3.32Å; N244-D265 PolarHBondContact ND2-O 3.21Å; N244-D266 WeakPolarHBondContact CB-O 3.4Å; N244-D266 VanDerWaalsContact ND2-CA 3.29Å; N244-D266 WeakPolarHBondContact ND2-CA 3.4Å; N244-D266 PolarHBondContact ND2-O 3.16Å; N244-V268 WeakPolarHBondContact O-CG2 3.21Å | ||
| 245 | S | 82.9 | Confident | 76 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -88.4 | 136.8 | -170.4 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | E243 F261 | E243-S245 WeakPolarHBondContact CB-OG 3.29Å; E243-S245 PolarHBondContact O-N 3.19Å; S245-F261 WeakPolarHBondContact CA-O 3.38Å | ||
| 246 | L | 89.3 | Confident | 75.7 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.6 | 168.2 | -53.3 | 87.4 | 0 | 0 | 0 | 108.9 | V233 V235 A260 F261 V268 F271 T287 | V233-L246 HydrophobicContact CG1-CB 4.2Å; V233-L246 HydrophobicContact CG1-CD2 4.16Å; V235-L246 HydrophobicContact CG2-CD2 3.58Å; V235-L246 HydrophobicContact CG2-CG 3.87Å; L246-A260 CarbonylContact O-C 3.49Å; L246-A260 WeakPolarHBondContact O-CA 3.45Å; L246-F261 HydrophobicContact CB-CB 4.18Å; L246-F261 HydrophobicContact CB-CD2 4.05Å; L246-F261 HydrophobicContact CD1-CB 4.16Å; L246-F261 PolarHBondContact N-O 3.05Å; L246-F261 PolarHBondContact O-N 3.05Å; L246-V268 HydrophobicContact CD1-CG1 4.3Å; L246-V268 HydrophobicContact CD1-CG2 3.94Å; L246-V268 HydrophobicContact CD2-CG1 4.25Å; L246-V268 HydrophobicContact CG-CG1 4.38Å; L246-F271 HydrophobicContact CD2-CB 3.84Å; L246-F271 HydrophobicContact CD2-CD1 4.08Å; L246-F271 HydrophobicContact CD2-CG 3.95Å; L246-T287 HydrophobicContact CD1-CG2 3.78Å; L246-T287 HydrophobicContact CD2-CG2 3.57Å; L246-T287 HydrophobicContact CG-CG2 4.37Å |
| 247 | L | 90.6 | Very high | 75.9 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.9 | 178.9 | -58.6 | 179.2 | 0 | 0 | 0 | 110.6 | V233 T234 M236 W249 P257 A260 | V233-L247 CarbonylContact C-O 3.39Å; V233-L247 WeakPolarHBondContact CA-O 3.5Å; T234-L247 PolarHBondContact N-O 3.11Å; T234-L247 PolarHBondContact O-N 2.84Å; T234-L247 PolarHBondContact OG1-O 3.3Å; M236-L247 HydrophobicContact CE-CD1 3.62Å; M236-L247 HydrophobicContact CE-CG 3.97Å; M236-L247 HydrophobicContact SD-CD1 3.92Å; L247-W249 HydrophobicContact CB-CZ2 4.25Å; L247-W249 HydrophobicContact CD1-CZ2 3.68Å; L247-P257 HydrophobicContact CB-CB 4.24Å; L247-P257 HydrophobicContact CD2-CB 4.37Å; L247-A260 HydrophobicContact CD2-CB 3.67Å |
| 248 | L | 91.4 | Very high | 76.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.1 | 168.1 | 177.2 | 64.6 | 0 | 0 | 0 | 108.9 | T226 L232 V233 P257 V258 H259 F261 | T226-L248 HydrophobicContact CG2-CD1 3.58Å; L232-L248 CarbonylContact O-C 3.34Å; L232-L248 WeakPolarHBondContact O-CA 3.35Å; V233-L248 HydrophobicContact CG2-CB 4.43Å; V233-L248 HydrophobicContact CG2-CD1 3.74Å; L248-P257 CarbonylContact O-C 3.41Å; L248-P257 VanDerWaalsContact O-CA 3.29Å; L248-P257 WeakPolarHBondContact O-CA 3.45Å; L248-P257 WeakPolarHBondContact O-CB 3.41Å; L248-V258 HydrophobicContact CD2-CB 4.39Å; L248-V258 HydrophobicContact CD2-CG1 4.24Å; L248-V258 HydrophobicContact CG-CB 4.27Å; L248-V258 PolarHBondContact O-N 3.4Å; L248-H259 HydrophobicContact CB-CB 4.07Å; L248-H259 HydrophobicContact CD2-CB 4.14Å; L248-H259 PolarHBondContact N-O 2.6Å; L248-H259 PolarHBondContact O-N 2.78Å; L248-F261 HydrophobicContact CB-CE2 4.08Å |
| 249 | W | 90.6 | Very high | 77.8 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.5 | 179.5 | -56.6 | 86.3 | 0 | 0 | 0 | 110 | L214 G231 L232 T234 L247 S256 P257 | L214-W249 HydrophobicContact CD1-CD2 3.85Å; L214-W249 HydrophobicContact CD1-CE3 3.6Å; L214-W249 HydrophobicContact CD1-CH2 3.81Å; L214-W249 HydrophobicContact CD1-CZ2 4.03Å; L214-W249 HydrophobicContact CD1-CZ3 3.58Å; L214-W249 HydrophobicContact CD2-CD2 3.86Å; L214-W249 HydrophobicContact CD2-CE3 4.47Å; L214-W249 HydrophobicContact CD2-CG 3.99Å; L214-W249 HydrophobicContact CD2-CZ2 4.28Å; G231-W249 CarbonylContact C-O 3.6Å; G231-W249 VanDerWaalsContact CA-O 3.3Å; G231-W249 WeakPolarHBondContact CA-O 3.4Å; L232-W249 HydrophobicContact CB-CB 4.5Å; L232-W249 PolarHBondContact N-O 3.3Å; L232-W249 PolarHBondContact O-N 3.29Å; T234-W249 PolarHBondContact OG1-NE1 3.09Å; L247-W249 HydrophobicContact CB-CZ2 4.25Å; L247-W249 HydrophobicContact CD1-CZ2 3.68Å; W249-S256 VanDerWaalsContact CE3-C 3.5Å; W249-P257 HydrophobicContact CD2-CB 4.1Å; W249-P257 HydrophobicContact CE3-CB 4.08Å; W249-P257 HydrophobicContact CH2-CB 4.08Å; W249-P257 HydrophobicContact CH2-CG 4.21Å; W249-P257 HydrophobicContact CZ2-CB 4.09Å; W249-P257 HydrophobicContact CZ3-CB 4.08Å; W249-P257 HydrophobicContact CZ3-CG 4.37Å; W249-P257 VanDerWaalsContact CZ3-N 3.32Å |
| 250 | S | 89.4 | Confident | 79.4 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 137.2 | 161 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | L252 D253 L254 | S250-L252 PolarHBondContact O-N 3.44Å; S250-L252 PolarHBondContact OG-N 3.16Å; S250-D253 CarbonylContact O-C 3.58Å; S250-D253 PolarHBondContact O-N 2.64Å; S250-L254 WeakPolarHBondContact O-CD2 3.33Å |
| 251 | I | 86.2 | Confident | 81.5 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 20% | 0.195 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -73.1 | -21.1 | 174.7 | -60.5 | 160.7 | 0 | 0 | 0 | 110.3 | F201 Y225 S230 L232 | F201-I251 HydrophobicContact CE1-CD1 4.4Å; F201-I251 HydrophobicContact CE1-CG1 4.12Å; F201-I251 HydrophobicContact CE1-CG2 4.34Å; F201-I251 HydrophobicContact CZ-CG1 4.18Å; F201-I251 HydrophobicContact CZ-CG2 4.44Å; Y225-I251 HydrophobicContact CD1-CD1 3.69Å; Y225-I251 HydrophobicContact CE1-CD1 3.51Å; S230-I251 WeakPolarHBondContact O-CB 3.45Å; S230-I251 WeakPolarHBondContact O-CD1 3.4Å; S230-I251 VanDerWaalsContact O-CG1 3.27Å; S230-I251 WeakPolarHBondContact O-CG1 3.49Å; S230-I251 PolarHBondContact O-N 2.77Å; L232-I251 HydrophobicContact CB-CG1 4.37Å |
| 252 | L | 83.9 | Confident | 83.5 | Confident | 104 Ų | 104 | 53.2 Ų | 53.2 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -74.4 | -36.8 | 176.2 | -51.8 | 174.3 | 0 | 0 | 0 | 111.6 | S250 | S250-L252 PolarHBondContact O-N 3.44Å; S250-L252 PolarHBondContact OG-N 3.16Å |
| 253 | D | 82.6 | Confident | 84.8 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | trans | -128.5 | 101.7 | 170.9 | -179.3 | 30.3 | 0 | 0 | 0 | 111.9 | S250 N255 S256 | S250-D253 CarbonylContact O-C 3.58Å; S250-D253 PolarHBondContact O-N 2.64Å; D253-N255 VanDerWaalsContact C-N 3.34Å; D253-N255 VanDerWaalsContact OD1-CB 3.24Å; D253-N255 WeakPolarHBondContact OD1-CB 3.32Å; D253-N255 PolarHBondContact OD1-N 3.46Å; D253-N255 PolarHBondContact OD1-ND2 2.69Å; D253-S256 PolarHBondContact OD2-OG 3.48Å | ||
| 254 | L | 86 | Confident | 86 | Confident | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | trans | -88.2 | 2.9 | 176.5 | -64 | 173.4 | 0 | 0 | 0 | 113.2 | F201 L214 S250 | F201-L254 HydrophobicContact CD2-CD1 4.23Å; F201-L254 HydrophobicContact CE2-CD1 3.72Å; F201-L254 HydrophobicContact CE2-CD2 3.98Å; F201-L254 HydrophobicContact CZ-CD2 4.2Å; L214-L254 HydrophobicContact CB-CD1 4.44Å; L214-L254 HydrophobicContact CB-CD2 4.25Å; L214-L254 HydrophobicContact CD1-CB 4.15Å; L214-L254 HydrophobicContact CD1-CD2 4.37Å; L214-L254 WeakPolarHBondContact CD1-O 3.41Å; S250-L254 WeakPolarHBondContact O-CD2 3.33Å | ||
| 255 | N | 82.6 | Confident | 86.4 | Confident | 151 Ų | 151 | 45.9 Ų | 45.9 | 81% | 0.807 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -77.4 | -28.5 | -178 | -62.3 | -67.7 | 0 | 0 | 0 | 112.7 | D253 | D253-N255 VanDerWaalsContact C-N 3.34Å; D253-N255 VanDerWaalsContact OD1-CB 3.24Å; D253-N255 WeakPolarHBondContact OD1-CB 3.32Å; D253-N255 PolarHBondContact OD1-N 3.46Å; D253-N255 PolarHBondContact OD1-ND2 2.69Å |
| 256 | S | 83.1 | Confident | 86.3 | Confident | 59 Ų | 59 | 48 Ų | 48 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -138.5 | 143.6 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | W249 D253 | W249-S256 VanDerWaalsContact CE3-C 3.5Å; D253-S256 PolarHBondContact OD2-OG 3.48Å |
| 257 | P | 88 | Confident | 86 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 132.6 | 173.4 | 30.5 | -32.1 | 0 | 0 | 0 | 109.7 | L247 L248 W249 H259 | L247-P257 HydrophobicContact CB-CB 4.24Å; L247-P257 HydrophobicContact CD2-CB 4.37Å; L248-P257 CarbonylContact O-C 3.41Å; L248-P257 VanDerWaalsContact O-CA 3.29Å; L248-P257 WeakPolarHBondContact O-CA 3.45Å; L248-P257 WeakPolarHBondContact O-CB 3.41Å; W249-P257 HydrophobicContact CD2-CB 4.1Å; W249-P257 HydrophobicContact CE3-CB 4.08Å; W249-P257 HydrophobicContact CH2-CB 4.08Å; W249-P257 HydrophobicContact CH2-CG 4.21Å; W249-P257 HydrophobicContact CZ2-CB 4.09Å; W249-P257 HydrophobicContact CZ3-CB 4.08Å; W249-P257 HydrophobicContact CZ3-CG 4.37Å; W249-P257 VanDerWaalsContact CZ3-N 3.32Å; P257-H259 VanDerWaalsContact C-N 3.32Å; P257-H259 PolarHBondContact O-N 3.32Å |
| 258 | V | 87.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -37.5 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L248 L306 | L248-V258 HydrophobicContact CD2-CB 4.39Å; L248-V258 HydrophobicContact CD2-CG1 4.24Å; L248-V258 HydrophobicContact CG-CB 4.27Å; L248-V258 PolarHBondContact O-N 3.4Å; V258-L306 HydrophobicContact CG1-CB 3.6Å; V258-L306 HydrophobicContact CG1-CD1 3.91Å; V258-L306 HydrophobicContact CG1-CG 4.42Å |
| 259 | H | 87.7 | Confident | 85.1 | Confident | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155.1 | -179 | -169.4 | 72.2 | 0 | 0 | 0 | 112.1 | L248 P257 F261 L303 | L248-H259 HydrophobicContact CB-CB 4.07Å; L248-H259 HydrophobicContact CD2-CB 4.14Å; L248-H259 PolarHBondContact N-O 2.6Å; L248-H259 PolarHBondContact O-N 2.78Å; P257-H259 VanDerWaalsContact C-N 3.32Å; P257-H259 PolarHBondContact O-N 3.32Å; H259-F261 AromaticContact CD2-CD1 3.73Å; H259-F261 AromaticContact CD2-CE1 3.68Å; H259-F261 AromaticContact CD2-CZ 3.96Å; H259-F261 AromaticContact NE2-CD1 3.92Å; H259-L303 HydrophobicContact CB-CD1 4.45Å; H259-L303 HydrophobicContact CB-CD2 4.05Å |
| 260 | A | 89.7 | Confident | 84.7 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | L246 L247 V262 | L246-A260 CarbonylContact O-C 3.49Å; L246-A260 WeakPolarHBondContact O-CA 3.45Å; L247-A260 HydrophobicContact CD2-CB 3.67Å; A260-V262 HydrophobicContact CB-CG2 4.07Å; A260-V262 PolarHBondContact O-N 3.09Å |
| 261 | F | 88.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 89.8 | 173.4 | -57.3 | -79.8 | 0 | 0 | 0 | 108.8 | V233 S245 L246 L248 H259 L285 W297 V299 | V233-F261 HydrophobicContact CG2-CE2 4.37Å; S245-F261 WeakPolarHBondContact CA-O 3.38Å; L246-F261 HydrophobicContact CB-CB 4.18Å; L246-F261 HydrophobicContact CB-CD2 4.05Å; L246-F261 HydrophobicContact CD1-CB 4.16Å; L246-F261 PolarHBondContact N-O 3.05Å; L246-F261 PolarHBondContact O-N 3.05Å; L248-F261 HydrophobicContact CB-CE2 4.08Å; H259-F261 AromaticContact CD2-CD1 3.73Å; H259-F261 AromaticContact CD2-CE1 3.68Å; H259-F261 AromaticContact CD2-CZ 3.96Å; H259-F261 AromaticContact NE2-CD1 3.92Å; F261-L285 HydrophobicContact CD2-CD2 3.96Å; F261-L285 HydrophobicContact CE1-CD2 4.39Å; F261-L285 HydrophobicContact CE2-CD2 3.75Å; F261-L285 HydrophobicContact CG-CD2 4.35Å; F261-L285 HydrophobicContact CZ-CD2 3.99Å; F261-W297 HydrophobicContact CB-CD2 4.16Å; F261-W297 HydrophobicContact CB-CE3 4.23Å; F261-W297 HydrophobicContact CB-CH2 4.46Å; F261-W297 HydrophobicContact CB-CZ2 4.4Å; F261-W297 HydrophobicContact CB-CZ3 4.37Å; F261-W297 HydrophobicContact CD1-CB 3.97Å; F261-W297 AromaticContact CD1-CD2 3.88Å; F261-W297 HydrophobicContact CD1-CD2 3.88Å; F261-W297 AromaticContact CD1-CE3 3.88Å; F261-W297 HydrophobicContact CD1-CE3 3.88Å; F261-W297 AromaticContact CD1-CG 3.92Å; F261-W297 HydrophobicContact CD1-CG 3.92Å; F261-W297 HydrophobicContact CE1-CB 4.05Å; F261-W297 HydrophobicContact CE1-CG 4.47Å; F261-W297 HydrophobicContact CG-CD2 4.4Å; F261-V299 HydrophobicContact CE1-CG2 4.28Å; F261-V299 HydrophobicContact CZ-CG2 4.11Å |
| 262 | V | 87.6 | Confident | 84.6 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | trans | -94.8 | 130.8 | -180 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | A260 W297 | A260-V262 HydrophobicContact CB-CG2 4.07Å; A260-V262 PolarHBondContact O-N 3.09Å; V262-W297 VanDerWaalsContact O-CH2 3.29Å; V262-W297 WeakPolarHBondContact O-CH2 3.4Å | ||
| 263 | G | 80.3 | Confident | 84.6 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | trans | 161.5 | -16.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | R295 | G263-R295 PolarHBondContact O-NH1 3.1Å; G263-R295 PolarHBondContact O-NH2 2.96Å | ||
| 264 | H | 84.4 | Confident | 84.6 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | trans | -72.8 | 136.8 | 172.5 | -83.5 | -64.8 | 0 | 0 | 0 | 111.6 | V268 T287 S289 D291 T293 | H264-V268 HydrophobicContact CB-CG2 3.94Å; H264-T287 PolarHBondContact CD2-OG1 3.19Å; H264-T287 WeakPolarHBondContact NE2-CB 3.09Å; H264-T287 PolarHBondContact NE2-OG1 3.11Å; H264-S289 WeakPolarHBondContact ND1-CB 3.26Å; H264-D291 WeakPolarHBondContact CA-OD2 3.4Å; H264-D291 WeakPolarHBondContact CB-OD2 3.48Å; H264-D291 IonicContact CE1-OD1 2.75Å; H264-D291 IonicContact CE1-OD2 2.85Å; H264-D291 IonicContact CG-OD2 3.41Å; H264-D291 IonicContact ND1-OD1 2.88Å; H264-D291 PolarHBondContact ND1-OD1 3.43Å; H264-D291 IonicContact ND1-OD2 3.65Å; H264-D291 PolarHBondContact ND1-OD2 2.82Å; H264-T293 PolarHBondContact CE1-OG1 2.6Å; H264-T293 VanDerWaalsContact CE1-OG1 3.22Å; H264-T293 PolarHBondContact ND1-OG1 3.22Å | ||
| 265 | D | 81.4 | Confident | 83.9 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 71% | 0.711 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -87.3 | -21.5 | -174.1 | -63.5 | -51.7 | 0 | 0 | 0 | 112.4 | N244 D291 | N244-D265 PolarHBondContact ND2-O 3.21Å; D265-D291 HydrophobicContact CB-CB 4.24Å; D265-D291 PolarHBondContact N-OD2 2.86Å |
| 266 | D | 81.4 | Confident | 83.3 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -132.5 | 179.6 | 177.3 | -160.2 | -0.7 | 0 | 0 | 0 | 110.7 | N244 V268 S289 R290 D291 | N244-D266 WeakPolarHBondContact CB-O 3.4Å; N244-D266 VanDerWaalsContact ND2-CA 3.29Å; N244-D266 WeakPolarHBondContact ND2-CA 3.4Å; N244-D266 PolarHBondContact ND2-O 3.16Å; D266-V268 PolarHBondContact O-N 2.92Å; D266-S289 PolarHBondContact O-OG 2.83Å; D266-R290 HydrophobicContact CB-CB 4.14Å; D266-R290 WeakPolarHBondContact OD2-CB 3.29Å; D266-R290 VanDerWaalsContact OD2-CD 3.23Å; D266-R290 WeakPolarHBondContact OD2-CD 3.27Å; D266-R290 WeakPolarHBondContact OD2-CG 3.4Å; D266-R290 IonicContact OD2-NE 3.03Å; D266-D291 HydrophobicContact CB-CB 3.88Å |
| 267 | V | 82.3 | Confident | 82.6 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | trans | -50.4 | 118.9 | -175.3 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | P238 L269 S289 R290 | P238-V267 HydrophobicContact CB-CG2 4.42Å; P238-V267 HydrophobicContact CG-CB 3.89Å; P238-V267 HydrophobicContact CG-CG1 3.58Å; P238-V267 HydrophobicContact CG-CG2 3.38Å; V267-L269 HydrophobicContact CB-CD2 4.37Å; V267-L269 HydrophobicContact CG1-CD2 4.09Å; V267-L269 PolarHBondContact O-N 2.71Å; V267-S289 VanDerWaalsContact O-CA 3.3Å; V267-S289 WeakPolarHBondContact O-CA 3.41Å; V267-S289 WeakPolarHBondContact O-CB 3.41Å; V267-S289 PolarHBondContact O-OG 2.86Å; V267-R290 HydrophobicContact CB-CB 4.45Å; V267-R290 PolarHBondContact O-N 3.04Å | ||
| 268 | V | 83.4 | Confident | 81.3 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 113.9 | 165.2 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | V235 N244 L246 H264 D266 | V235-V268 HydrophobicContact CG1-CB 4.29Å; V235-V268 HydrophobicContact CG2-CG1 4.15Å; N244-V268 WeakPolarHBondContact O-CG2 3.21Å; L246-V268 HydrophobicContact CD1-CG1 4.3Å; L246-V268 HydrophobicContact CD1-CG2 3.94Å; L246-V268 HydrophobicContact CD2-CG1 4.25Å; L246-V268 HydrophobicContact CG-CG1 4.38Å; H264-V268 HydrophobicContact CB-CG2 3.94Å; D266-V268 PolarHBondContact O-N 2.92Å |
| 269 | L | 80.3 | Confident | 80 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -39.2 | -173.2 | -65.8 | 172.3 | 0 | 0 | 0 | 110.7 | W221 V267 W288 R290 | W221-L269 PolarHBondContact NE1-O 3.05Å; V267-L269 HydrophobicContact CB-CD2 4.37Å; V267-L269 HydrophobicContact CG1-CD2 4.09Å; V267-L269 PolarHBondContact O-N 2.71Å; L269-W288 HydrophobicContact CB-CD2 4.02Å; L269-W288 HydrophobicContact CB-CE3 3.65Å; L269-W288 HydrophobicContact CB-CH2 3.39Å; L269-W288 HydrophobicContact CB-CZ2 3.75Å; L269-W288 HydrophobicContact CB-CZ3 3.36Å; L269-W288 HydrophobicContact CD1-CE3 3.84Å; L269-W288 HydrophobicContact CD1-CH2 3.99Å; L269-W288 HydrophobicContact CD1-CZ3 3.29Å; L269-W288 HydrophobicContact CG-CE3 4.3Å; L269-W288 HydrophobicContact CG-CH2 4.31Å; L269-W288 HydrophobicContact CG-CZ3 3.93Å; L269-W288 PolarHBondContact N-O 3.35Å; L269-R290 HydrophobicContact CD1-CB 4.03Å; L269-R290 HydrophobicContact CG-CB 4.33Å |
| 270 | E | 81.4 | Confident | 79.2 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 170.2 | 166.1 | 145.4 | 143.8 | -131.9 | 0 | 0 | 112.7 | K222 R224 W288 | K222-E270 VanDerWaalsContact CE-OE1 3.31Å; K222-E270 WeakPolarHBondContact CE-OE1 3.42Å; K222-E270 IonicContact NZ-OE1 3.15Å; K222-E270 PolarHBondContact NZ-OE1 3.01Å; K222-E270 IonicContact NZ-OE2 2.69Å; K222-E270 PolarHBondContact NZ-OE2 2.77Å; R224-E270 IonicContact CZ-OE1 3.33Å; R224-E270 IonicContact NE-OE1 2.71Å; R224-E270 IonicContact NH1-OE1 3.8Å; R224-E270 PolarHBondContact NH1-OE1 2.89Å; R224-E270 VanDerWaalsContact NH1-OE1 3.11Å; R224-E270 IonicContact NH2-OE1 3.51Å; R224-E270 PolarHBondContact NH2-OE1 3.36Å; E270-W288 VanDerWaalsContact C-CD1 3.5Å; E270-W288 HydrophobicContact CB-CZ2 3.79Å; E270-W288 VanDerWaalsContact CB-NE1 3.28Å; E270-W288 HydrophobicContact CG-CZ2 4.41Å; E270-W288 PolarHBondContact O-N 2.93Å; E270-W288 VanDerWaalsContact O-N 3.08Å; E270-W288 PolarHBondContact O-NE1 3.35Å |
| 271 | F | 88.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.5 | -178.4 | 67.2 | -83.5 | 0 | 0 | 0 | 110.9 | K222 R224 V233 V235 L246 L285 V286 T287 | K222-F271 HydrophobicContact CB-CE1 4.15Å; R224-F271 HydrophobicContact CB-CE2 3.75Å; R224-F271 HydrophobicContact CB-CZ 3.74Å; R224-F271 HydrophobicContact CG-CE2 4.09Å; R224-F271 HydrophobicContact CG-CZ 3.83Å; R224-F271 PolarHBondContact NH1-O 3.34Å; V233-F271 HydrophobicContact CB-CE2 3.85Å; V233-F271 HydrophobicContact CB-CZ 4.14Å; V233-F271 HydrophobicContact CG1-CD2 4.17Å; V233-F271 HydrophobicContact CG1-CE1 4.49Å; V233-F271 HydrophobicContact CG1-CE2 3.71Å; V233-F271 HydrophobicContact CG1-CZ 3.88Å; V233-F271 WeakPolarHBondContact O-CZ 3.23Å; V235-F271 HydrophobicContact CB-CD1 4.48Å; V235-F271 HydrophobicContact CB-CE1 4.33Å; V235-F271 HydrophobicContact CG2-CD1 3.37Å; V235-F271 HydrophobicContact CG2-CE1 3.55Å; V235-F271 HydrophobicContact CG2-CG 4.42Å; L246-F271 HydrophobicContact CD2-CB 3.84Å; L246-F271 HydrophobicContact CD2-CD1 4.08Å; L246-F271 HydrophobicContact CD2-CG 3.95Å; F271-L285 HydrophobicContact CB-CD1 4.14Å; F271-L285 HydrophobicContact CD2-CD1 3.69Å; F271-L285 HydrophobicContact CG-CD1 4.36Å; F271-V286 CarbonylContact C-O 3.58Å; F271-V286 VanDerWaalsContact CA-O 3.25Å; F271-V286 WeakPolarHBondContact CA-O 3.49Å; F271-T287 HydrophobicContact CB-CG2 3.87Å |
| 272 | Q | 86 | Confident | 77.6 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135.5 | 180 | -173.7 | 60.1 | 52.6 | 0 | 0 | 110.1 | V286 | Q272-V286 PolarHBondContact N-O 3.34Å; Q272-V286 PolarHBondContact O-N 3.21Å |
| 273 | W | 84.8 | Confident | 77.4 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.4 | 168.8 | -69.8 | 107.2 | 0 | 0 | 0 | 110.3 | Y225 T226 P227 F228 V233 P275 F283 L285 V299 | Y225-W273 PolarHBondContact O-NE1 3.33Å; T226-W273 HydrophobicContact CG2-CH2 4.29Å; T226-W273 HydrophobicContact CG2-CZ2 3.71Å; P227-W273 HydrophobicContact CG-CB 4.06Å; P227-W273 HydrophobicContact CG-CD2 3.69Å; P227-W273 HydrophobicContact CG-CE3 3.74Å; P227-W273 HydrophobicContact CG-CG 3.83Å; P227-W273 HydrophobicContact CG-CZ3 4.39Å; F228-W273 HydrophobicContact CE1-CE3 4.5Å; F228-W273 AromaticContact CE1-CH2 3.75Å; F228-W273 HydrophobicContact CE1-CH2 3.75Å; F228-W273 HydrophobicContact CE1-CZ2 4.43Å; F228-W273 AromaticContact CE1-CZ3 3.77Å; F228-W273 HydrophobicContact CE1-CZ3 3.77Å; F228-W273 AromaticContact CZ-CH2 3.89Å; F228-W273 HydrophobicContact CZ-CH2 3.89Å; F228-W273 HydrophobicContact CZ-CZ3 4.34Å; V233-W273 HydrophobicContact CG2-CH2 4.47Å; V233-W273 HydrophobicContact CG2-CZ2 3.66Å; W273-P275 WeakPolarHBondContact O-CD 3.36Å; W273-F283 HydrophobicContact CZ3-CB 4.36Å; W273-L285 HydrophobicContact CD2-CD1 4.01Å; W273-L285 HydrophobicContact CE3-CB 3.91Å; W273-L285 HydrophobicContact CE3-CD1 4.26Å; W273-L285 HydrophobicContact CH2-CB 4.04Å; W273-L285 HydrophobicContact CH2-CD1 4.48Å; W273-L285 HydrophobicContact CZ2-CD1 4.24Å; W273-L285 HydrophobicContact CZ3-CB 3.66Å; W273-L285 HydrophobicContact CZ3-CD1 4.49Å; W273-V299 HydrophobicContact CH2-CG2 3.86Å; W273-V299 HydrophobicContact CZ3-CG2 3.73Å |
| 274 | R | 81.1 | Confident | 77.7 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 127.1 | 171.3 | -164 | -172.5 | 176.8 | 170.2 | 1.7 | 109.2 | S6 D28 Q276 K277 Q284 | S6-R274 PolarHBondContact OG-NE 3.37Å; S6-R274 PolarHBondContact OG-NH2 3.34Å; D28-R274 IonicContact OD1-CZ 3.55Å; D28-R274 IonicContact OD1-NH1 3.38Å; D28-R274 PolarHBondContact OD1-NH1 3.16Å; D28-R274 IonicContact OD1-NH2 2.69Å; D28-R274 PolarHBondContact OD1-NH2 3.4Å; D28-R274 IonicContact OD2-NH2 2.82Å; D28-R274 PolarHBondContact OD2-NH2 3.01Å; R274-Q276 PolarHBondContact O-N 2.83Å; R274-K277 VanDerWaalsContact NH2-CE 3.28Å; R274-Q284 HydrophobicContact CB-CB 3.92Å; R274-Q284 VanDerWaalsContact CB-O 3.28Å; R274-Q284 WeakPolarHBondContact CB-O 3.18Å; R274-Q284 PolarHBondContact N-O 3.2Å |
| 275 | P | 72.1 | Confident | 77.8 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -46.9 | 132.9 | 162.8 | -34.1 | 38 | 0 | 0 | 0 | 112.2 | W273 | W273-P275 WeakPolarHBondContact O-CD 3.36Š|
| 276 | Q | 70.5 | Confident | 78.1 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 134.4 | -179.1 | -171.3 | 176.2 | 3.6 | 0 | 0 | 109.7 | R274 S280 F283 | R274-Q276 PolarHBondContact O-N 2.83Å; Q276-S280 VanDerWaalsContact CG-O 3.22Å; Q276-S280 WeakPolarHBondContact CG-O 3.39Å; Q276-S280 PolarHBondContact NE2-O 3.25Å; Q276-F283 HydrophobicContact CB-CE1 4.26Å; Q276-F283 HydrophobicContact CG-CE1 4.28Å |
| 277 | K | 67.2 | Low | 78.3 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 140.3 | 170.6 | -68.3 | -160.2 | 178.1 | -154.3 | 0 | 109.6 | D3 D28 R274 G279 S280 | D3-K277 IonicContact OD1-NZ 2.99Å; D3-K277 PolarHBondContact OD1-NZ 3.14Å; D28-K277 WeakPolarHBondContact OD1-CE 3.26Å; D28-K277 IonicContact OD1-NZ 3.16Å; D28-K277 PolarHBondContact OD1-NZ 3.23Å; D28-K277 VanDerWaalsContact OD1-NZ 3.1Å; D28-K277 WeakPolarHBondContact OD2-CE 3.4Å; D28-K277 IonicContact OD2-NZ 2.85Å; D28-K277 PolarHBondContact OD2-NZ 3.39Å; R274-K277 VanDerWaalsContact NH2-CE 3.28Å; K277-G279 PolarHBondContact O-N 3.06Å; K277-S280 PolarHBondContact O-N 3.14Å |
| 278 | E | 61.5 | Low | 78.2 | Confident | 160 Ų | 160 | 54.1 Ų | 54.1 | 75% | 0.748 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 119.6 | 177.4 | -130 | 152.7 | 148.2 | 0 | 0 | 109.8 | R54 | R54-E278 IonicContact CZ-OE2 3.48Å; R54-E278 IonicContact NH1-OE2 3.69Å; R54-E278 PolarHBondContact NH1-OE2 3.25Å; R54-E278 IonicContact NH2-OE2 2.71Å; R54-E278 PolarHBondContact NH2-OE2 3.49Å |
| 279 | G | 59.9 | Low | 78.2 | Confident | 90 Ų | 90 | 54.1 Ų | 54.1 | 93% | 0.928 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -8.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | K277 | K277-G279 PolarHBondContact O-N 3.06Š|
| 280 | S | 71.6 | Confident | 78.3 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | trans | -96.7 | 136.7 | 175.8 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | Q276 K277 D282 | Q276-S280 VanDerWaalsContact CG-O 3.22Å; Q276-S280 WeakPolarHBondContact CG-O 3.39Å; Q276-S280 PolarHBondContact NE2-O 3.25Å; K277-S280 PolarHBondContact O-N 3.14Å; S280-D282 VanDerWaalsContact C-N 3.34Å; S280-D282 WeakPolarHBondContact OG-CB 3.23Å; S280-D282 PolarHBondContact OG-N 3.02Å; S280-D282 VanDerWaalsContact OG-N 3.12Å; S280-D282 PolarHBondContact OG-OD2 2.75Å | ||
| 281 | R | 66.2 | Low | 78.3 | Confident | 209 Ų | 209 | 59.8 Ų | 59.8 | 79% | 0.789 | 30% | 0.296 | S | S | * | . | trans | -90.9 | 7.4 | 171.1 | -64.2 | -172.4 | -180 | -166 | -0.2 | 113.3 | F283 Q304 | R281-F283 PolarHBondContact O-N 2.95Å; R281-Q304 PolarHBondContact O-NE2 3.37Å | ||
| 282 | D | 78.7 | Confident | 77.9 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | trans | -85.3 | 109 | -176.7 | -61.9 | -32.1 | 0 | 0 | 0 | 111.6 | S280 | S280-D282 VanDerWaalsContact C-N 3.34Å; S280-D282 WeakPolarHBondContact OG-CB 3.23Å; S280-D282 PolarHBondContact OG-N 3.02Å; S280-D282 VanDerWaalsContact OG-N 3.12Å; S280-D282 PolarHBondContact OG-OD2 2.75Å | ||
| 283 | F | 83.4 | Confident | 77.8 | Confident | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.3 | 170.2 | -66 | -78.3 | 0 | 0 | 0 | 110.8 | P227 F228 W273 Q276 R281 V299 | P227-F283 HydrophobicContact CB-CD1 4.06Å; P227-F283 HydrophobicContact CB-CE1 4.02Å; P227-F283 HydrophobicContact CG-CD1 3.53Å; P227-F283 HydrophobicContact CG-CE1 4Å; P227-F283 HydrophobicContact CG-CG 4.24Å; F228-F283 HydrophobicContact CB-CD2 3.99Å; F228-F283 HydrophobicContact CB-CE2 3.61Å; F228-F283 HydrophobicContact CB-CZ 3.9Å; F228-F283 HydrophobicContact CD1-CB 3.68Å; F228-F283 AromaticContact CD1-CD1 3.82Å; F228-F283 HydrophobicContact CD1-CD1 3.82Å; F228-F283 AromaticContact CD1-CD2 3.33Å; F228-F283 HydrophobicContact CD1-CD2 3.33Å; F228-F283 HydrophobicContact CD1-CE1 4.26Å; F228-F283 AromaticContact CD1-CE2 3.86Å; F228-F283 HydrophobicContact CD1-CE2 3.86Å; F228-F283 AromaticContact CD1-CG 3.3Å; F228-F283 HydrophobicContact CD1-CG 3.3Å; F228-F283 HydrophobicContact CD1-CZ 4.28Å; F228-F283 HydrophobicContact CE1-CB 3.63Å; F228-F283 HydrophobicContact CE1-CD1 4.49Å; F228-F283 HydrophobicContact CE1-CD2 4.11Å; F228-F283 AromaticContact CE1-CG 3.83Å; F228-F283 HydrophobicContact CE1-CG 3.83Å; F228-F283 AromaticContact CG-CD2 3.85Å; F228-F283 HydrophobicContact CG-CD2 3.85Å; F228-F283 HydrophobicContact CG-CE2 4.02Å; F228-F283 HydrophobicContact CG-CG 4.25Å; W273-F283 HydrophobicContact CZ3-CB 4.36Å; Q276-F283 HydrophobicContact CB-CE1 4.26Å; Q276-F283 HydrophobicContact CG-CE1 4.28Å; R281-F283 PolarHBondContact O-N 2.95Å; F283-V299 PolarHBondContact O-N 2.85Å |
| 284 | Q | 85.1 | Confident | 77.7 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.7 | 179.7 | -65.5 | 177.6 | -3.3 | 0 | 0 | 109.6 | R274 I296 W297 R298 | R274-Q284 HydrophobicContact CB-CB 3.92Å; R274-Q284 VanDerWaalsContact CB-O 3.28Å; R274-Q284 WeakPolarHBondContact CB-O 3.18Å; R274-Q284 PolarHBondContact N-O 3.2Å; Q284-I296 HydrophobicContact CB-CG2 4.14Å; Q284-I296 HydrophobicContact CG-CG2 4.44Å; Q284-W297 CarbonylContact C-O 3.59Å; Q284-W297 WeakPolarHBondContact CA-O 3.33Å; Q284-R298 HydrophobicContact CG-CG 4.39Å |
| 285 | L | 87.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.3 | 172 | 175.1 | 63.8 | 0 | 0 | 0 | 108.2 | F261 F271 W273 T287 W297 | F261-L285 HydrophobicContact CD2-CD2 3.96Å; F261-L285 HydrophobicContact CE1-CD2 4.39Å; F261-L285 HydrophobicContact CE2-CD2 3.75Å; F261-L285 HydrophobicContact CG-CD2 4.35Å; F261-L285 HydrophobicContact CZ-CD2 3.99Å; F271-L285 HydrophobicContact CB-CD1 4.14Å; F271-L285 HydrophobicContact CD2-CD1 3.69Å; F271-L285 HydrophobicContact CG-CD1 4.36Å; W273-L285 HydrophobicContact CD2-CD1 4.01Å; W273-L285 HydrophobicContact CE3-CB 3.91Å; W273-L285 HydrophobicContact CE3-CD1 4.26Å; W273-L285 HydrophobicContact CH2-CB 4.04Å; W273-L285 HydrophobicContact CH2-CD1 4.48Å; W273-L285 HydrophobicContact CZ2-CD1 4.24Å; W273-L285 HydrophobicContact CZ3-CB 3.66Å; W273-L285 HydrophobicContact CZ3-CD1 4.49Å; L285-T287 HydrophobicContact CD2-CG2 4.3Å; L285-T287 HydrophobicContact CG-CG2 4.13Å; L285-W297 HydrophobicContact CB-CB 4.26Å; L285-W297 PolarHBondContact N-O 2.96Å; L285-W297 PolarHBondContact O-N 3.16Å |
| 286 | V | 86.6 | Confident | 78.5 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.7 | 174.9 | -170 | 0 | 0 | 0 | 0 | 109.5 | C8 L27 F271 Q272 L294 R295 I296 | C8-V286 WeakPolarHBondContact SG-CB 3.35Å; C8-V286 WeakPolarHBondContact SG-CG1 3.39Å; L27-V286 HydrophobicContact CD1-CG2 4.07Å; F271-V286 CarbonylContact C-O 3.58Å; F271-V286 VanDerWaalsContact CA-O 3.25Å; F271-V286 WeakPolarHBondContact CA-O 3.49Å; Q272-V286 PolarHBondContact N-O 3.34Å; Q272-V286 PolarHBondContact O-N 3.21Å; V286-L294 HydrophobicContact CG1-CD1 4.11Å; V286-L294 HydrophobicContact CG1-CD2 3.6Å; V286-L294 HydrophobicContact CG1-CG 3.76Å; V286-R295 WeakPolarHBondContact CA-O 3.4Å; V286-I296 HydrophobicContact CG1-CG1 4.41Å; V286-I296 HydrophobicContact CG2-CG1 4.32Å; V286-I296 HydrophobicContact CG2-CG2 4.46Å |
| 287 | T | 85.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.8 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 110 | L246 H264 F271 L285 L294 R295 W297 | L246-T287 HydrophobicContact CD1-CG2 3.78Å; L246-T287 HydrophobicContact CD2-CG2 3.57Å; L246-T287 HydrophobicContact CG-CG2 4.37Å; H264-T287 PolarHBondContact CD2-OG1 3.19Å; H264-T287 WeakPolarHBondContact NE2-CB 3.09Å; H264-T287 PolarHBondContact NE2-OG1 3.11Å; F271-T287 HydrophobicContact CB-CG2 3.87Å; L285-T287 HydrophobicContact CD2-CG2 4.3Å; L285-T287 HydrophobicContact CG-CG2 4.13Å; T287-L294 WeakPolarHBondContact O-CA 3.21Å; T287-R295 PolarHBondContact N-O 3.34Å; T287-R295 PolarHBondContact O-N 3.36Å; T287-W297 PolarHBondContact OG1-NE1 2.69Å |
| 288 | W | 81.6 | Confident | 80.3 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 26% | 0.261 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.2 | 173.2 | 65.8 | -81.6 | 0 | 0 | 0 | 110.1 | L269 E270 | L269-W288 HydrophobicContact CB-CD2 4.02Å; L269-W288 HydrophobicContact CB-CE3 3.65Å; L269-W288 HydrophobicContact CB-CH2 3.39Å; L269-W288 HydrophobicContact CB-CZ2 3.75Å; L269-W288 HydrophobicContact CB-CZ3 3.36Å; L269-W288 HydrophobicContact CD1-CE3 3.84Å; L269-W288 HydrophobicContact CD1-CH2 3.99Å; L269-W288 HydrophobicContact CD1-CZ3 3.29Å; L269-W288 HydrophobicContact CG-CE3 4.3Å; L269-W288 HydrophobicContact CG-CH2 4.31Å; L269-W288 HydrophobicContact CG-CZ3 3.93Å; L269-W288 PolarHBondContact N-O 3.35Å; E270-W288 VanDerWaalsContact C-CD1 3.5Å; E270-W288 HydrophobicContact CB-CZ2 3.79Å; E270-W288 VanDerWaalsContact CB-NE1 3.28Å; E270-W288 HydrophobicContact CG-CZ2 4.41Å; E270-W288 PolarHBondContact O-N 2.93Å; E270-W288 VanDerWaalsContact O-N 3.08Å; E270-W288 PolarHBondContact O-NE1 3.35Å |
| 289 | S | 82.6 | Confident | 81.4 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 161.5 | -175.3 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | H264 D266 V267 D291 Q292 T293 | H264-S289 WeakPolarHBondContact ND1-CB 3.26Å; D266-S289 PolarHBondContact O-OG 2.83Å; V267-S289 VanDerWaalsContact O-CA 3.3Å; V267-S289 WeakPolarHBondContact O-CA 3.41Å; V267-S289 WeakPolarHBondContact O-CB 3.41Å; V267-S289 PolarHBondContact O-OG 2.86Å; S289-D291 VanDerWaalsContact CB-CG 3.49Å; S289-D291 VanDerWaalsContact CB-OD1 3.3Å; S289-D291 WeakPolarHBondContact CB-OD1 3.43Å; S289-D291 PolarHBondContact O-N 3.38Å; S289-D291 VanDerWaalsContact OG-CG 3.25Å; S289-D291 PolarHBondContact OG-N 3.24Å; S289-D291 VanDerWaalsContact OG-N 3.14Å; S289-D291 PolarHBondContact OG-OD1 3.28Å; S289-D291 PolarHBondContact OG-OD2 2.75Å; S289-Q292 PolarHBondContact O-N 2.71Å; S289-T293 PolarHBondContact N-O 3.16Å |
| 290 | R | 82.3 | Confident | 82.6 | Confident | 164 Ų | 164 | 67.5 Ų | 67.5 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.2 | 169.2 | -169.7 | 175.3 | -177.8 | 160.3 | 2.8 | 113.1 | D266 V267 L269 Q292 | D266-R290 HydrophobicContact CB-CB 4.14Å; D266-R290 WeakPolarHBondContact OD2-CB 3.29Å; D266-R290 VanDerWaalsContact OD2-CD 3.23Å; D266-R290 WeakPolarHBondContact OD2-CD 3.27Å; D266-R290 WeakPolarHBondContact OD2-CG 3.4Å; D266-R290 IonicContact OD2-NE 3.03Å; V267-R290 HydrophobicContact CB-CB 4.45Å; V267-R290 PolarHBondContact O-N 3.04Å; L269-R290 HydrophobicContact CD1-CB 4.03Å; L269-R290 HydrophobicContact CG-CB 4.33Å; R290-Q292 PolarHBondContact O-N 3.03Å |
| 291 | D | 81.4 | Confident | 83 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 1.4 | 171.8 | 68.1 | 18.6 | 0 | 0 | 0 | 114.1 | H264 D265 D266 S289 T293 | H264-D291 WeakPolarHBondContact CA-OD2 3.4Å; H264-D291 WeakPolarHBondContact CB-OD2 3.48Å; H264-D291 IonicContact CE1-OD1 2.75Å; H264-D291 IonicContact CE1-OD2 2.85Å; H264-D291 IonicContact CG-OD2 3.41Å; H264-D291 IonicContact ND1-OD1 2.88Å; H264-D291 PolarHBondContact ND1-OD1 3.43Å; H264-D291 IonicContact ND1-OD2 3.65Å; H264-D291 PolarHBondContact ND1-OD2 2.82Å; D265-D291 HydrophobicContact CB-CB 4.24Å; D265-D291 PolarHBondContact N-OD2 2.86Å; D266-D291 HydrophobicContact CB-CB 3.88Å; S289-D291 VanDerWaalsContact CB-CG 3.49Å; S289-D291 VanDerWaalsContact CB-OD1 3.3Å; S289-D291 WeakPolarHBondContact CB-OD1 3.43Å; S289-D291 PolarHBondContact O-N 3.38Å; S289-D291 VanDerWaalsContact OG-CG 3.25Å; S289-D291 PolarHBondContact OG-N 3.24Å; S289-D291 VanDerWaalsContact OG-N 3.14Å; S289-D291 PolarHBondContact OG-OD1 3.28Å; S289-D291 PolarHBondContact OG-OD2 2.75Å; D291-T293 VanDerWaalsContact CG-OG1 3.27Å; D291-T293 PolarHBondContact O-N 3.26Å; D291-T293 WeakPolarHBondContact OD1-CA 3.41Å; D291-T293 VanDerWaalsContact OD1-CB 3.28Å; D291-T293 WeakPolarHBondContact OD1-CB 3.15Å; D291-T293 PolarHBondContact OD1-N 3.27Å; D291-T293 PolarHBondContact OD1-OG1 3.23Å; D291-T293 PolarHBondContact OD2-OG1 2.95Å |
| 292 | Q | 81.1 | Confident | 83.7 | Confident | 137 Ų | 137 | 66.1 Ų | 66.1 | 64% | 0.64 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 71.7 | 9.2 | 179.3 | -34.5 | -164.9 | 9.3 | 0 | 0 | 114.2 | L14 S289 R290 | L14-Q292 HydrophobicContact CD1-CB 4.11Å; L14-Q292 HydrophobicContact CD2-CB 3.5Å; L14-Q292 VanDerWaalsContact CD2-CB 3.5Å; L14-Q292 HydrophobicContact CD2-CG 3.37Å; L14-Q292 HydrophobicContact CG-CB 4.48Å; S289-Q292 PolarHBondContact O-N 2.71Å; R290-Q292 PolarHBondContact O-N 3.03Å |
| 293 | T | 82 | Confident | 83.7 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | trans | -101.9 | 146.3 | 177.4 | 76.3 | 0 | 0 | 0 | 0 | 112.2 | H264 S289 D291 | H264-T293 PolarHBondContact CE1-OG1 2.6Å; H264-T293 VanDerWaalsContact CE1-OG1 3.22Å; H264-T293 PolarHBondContact ND1-OG1 3.22Å; S289-T293 PolarHBondContact N-O 3.16Å; D291-T293 VanDerWaalsContact CG-OG1 3.27Å; D291-T293 PolarHBondContact O-N 3.26Å; D291-T293 WeakPolarHBondContact OD1-CA 3.41Å; D291-T293 VanDerWaalsContact OD1-CB 3.28Å; D291-T293 WeakPolarHBondContact OD1-CB 3.15Å; D291-T293 PolarHBondContact OD1-N 3.27Å; D291-T293 PolarHBondContact OD1-OG1 3.23Å; D291-T293 PolarHBondContact OD2-OG1 2.95Å | ||
| 294 | L | 83.1 | Confident | 83.7 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.3 | 165.1 | -179.3 | 151.7 | 0 | 0 | 0 | 107.1 | L10 L27 V286 T287 I296 | L10-L294 HydrophobicContact CD2-CD1 4.17Å; L27-L294 HydrophobicContact CD2-CD1 4.49Å; L27-L294 HydrophobicContact CD2-CD2 3.94Å; V286-L294 HydrophobicContact CG1-CD1 4.11Å; V286-L294 HydrophobicContact CG1-CD2 3.6Å; V286-L294 HydrophobicContact CG1-CG 3.76Å; T287-L294 WeakPolarHBondContact O-CA 3.21Å; L294-I296 HydrophobicContact CD2-CG1 4.07Å |
| 295 | R | 83.6 | Confident | 83.5 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140 | -179.1 | -65.8 | -177.1 | -178.9 | -136.9 | 4.1 | 110.6 | G263 V286 T287 W297 | G263-R295 PolarHBondContact O-NH1 3.1Å; G263-R295 PolarHBondContact O-NH2 2.96Å; V286-R295 WeakPolarHBondContact CA-O 3.4Å; T287-R295 PolarHBondContact N-O 3.34Å; T287-R295 PolarHBondContact O-N 3.36Å; R295-W297 HydrophobicContact CB-CZ2 4.18Å |
| 296 | I | 86.8 | Confident | 83 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.2 | 175.8 | -52.3 | 177.2 | 0 | 0 | 0 | 107.5 | L27 Q284 V286 L294 | L27-I296 HydrophobicContact CB-CD1 4.38Å; L27-I296 HydrophobicContact CD2-CD1 4.25Å; Q284-I296 HydrophobicContact CB-CG2 4.14Å; Q284-I296 HydrophobicContact CG-CG2 4.44Å; V286-I296 HydrophobicContact CG1-CG1 4.41Å; V286-I296 HydrophobicContact CG2-CG1 4.32Å; V286-I296 HydrophobicContact CG2-CG2 4.46Å; L294-I296 HydrophobicContact CD2-CG1 4.07Å |
| 297 | W | 87.9 | Confident | 82.5 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.3 | 176.6 | -46.7 | 84.1 | 0 | 0 | 0 | 108.6 | F261 V262 Q284 L285 T287 R295 | F261-W297 HydrophobicContact CB-CD2 4.16Å; F261-W297 HydrophobicContact CB-CE3 4.23Å; F261-W297 HydrophobicContact CB-CH2 4.46Å; F261-W297 HydrophobicContact CB-CZ2 4.4Å; F261-W297 HydrophobicContact CB-CZ3 4.37Å; F261-W297 HydrophobicContact CD1-CB 3.97Å; F261-W297 AromaticContact CD1-CD2 3.88Å; F261-W297 HydrophobicContact CD1-CD2 3.88Å; F261-W297 AromaticContact CD1-CE3 3.88Å; F261-W297 HydrophobicContact CD1-CE3 3.88Å; F261-W297 AromaticContact CD1-CG 3.92Å; F261-W297 HydrophobicContact CD1-CG 3.92Å; F261-W297 HydrophobicContact CE1-CB 4.05Å; F261-W297 HydrophobicContact CE1-CG 4.47Å; F261-W297 HydrophobicContact CG-CD2 4.4Å; V262-W297 VanDerWaalsContact O-CH2 3.29Å; V262-W297 WeakPolarHBondContact O-CH2 3.4Å; Q284-W297 CarbonylContact C-O 3.59Å; Q284-W297 WeakPolarHBondContact CA-O 3.33Å; L285-W297 HydrophobicContact CB-CB 4.26Å; L285-W297 PolarHBondContact N-O 2.96Å; L285-W297 PolarHBondContact O-N 3.16Å; T287-W297 PolarHBondContact OG1-NE1 2.69Å; R295-W297 HydrophobicContact CB-CZ2 4.18Å |
| 298 | R | 87.4 | Confident | 81.7 | Confident | 197 Ų | 197 | 75.8 Ų | 75.8 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 129.4 | 168.8 | -64.6 | 179.9 | 180 | 174.8 | -0.7 | 107.9 | Q284 | Q284-R298 HydrophobicContact CG-CG 4.39Å |
| 299 | V | 85.7 | Confident | 80.4 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 103.5 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | F228 F261 W273 F283 L303 Q304 | F228-V299 HydrophobicContact CE1-CG1 4.41Å; F228-V299 HydrophobicContact CE2-CG1 4.44Å; F228-V299 HydrophobicContact CZ-CB 4.47Å; F228-V299 HydrophobicContact CZ-CG1 3.81Å; F261-V299 HydrophobicContact CE1-CG2 4.28Å; F261-V299 HydrophobicContact CZ-CG2 4.11Å; W273-V299 HydrophobicContact CH2-CG2 3.86Å; W273-V299 HydrophobicContact CZ3-CG2 3.73Å; F283-V299 PolarHBondContact O-N 2.85Å; V299-L303 HydrophobicContact CG1-CB 3.9Å; V299-L303 HydrophobicContact CG1-CD1 4.33Å; V299-Q304 HydrophobicContact CG1-CG 4.12Å; V299-Q304 PolarHBondContact O-NE2 2.78Å |
| 300 | E | 83.5 | Confident | 78.5 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | trans | -59.7 | 146 | -177.9 | -61.5 | -172.2 | 174.7 | 0 | 0 | 111.9 | Q302 L303 Q304 | E300-Q302 PolarHBondContact O-N 3.42Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.46Å; E300-Q304 PolarHBondContact O-N 3.26Å | ||
| 301 | P | 81.6 | Confident | 76.8 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.2 | -28.1 | 179.1 | -28.9 | 36.2 | 0 | 0 | 0 | 114.5 | Q304 K305 | P301-Q304 WeakPolarHBondContact O-CB 3.28Å; P301-Q304 PolarHBondContact O-N 2.88Å; P301-K305 PolarHBondContact O-N 2.96Å |
| 302 | Q | 79.3 | Confident | 75.2 | Confident | 144 Ų | 144 | 81.9 Ų | 81.9 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 175.4 | -60.8 | 177 | 8.5 | 0 | 0 | 111.9 | E300 Q304 K305 L306 | E300-Q302 PolarHBondContact O-N 3.42Å; Q302-Q304 VanDerWaalsContact C-N 3.26Å; Q302-Q304 PolarHBondContact O-N 2.79Å; Q302-K305 PolarHBondContact O-N 3.42Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.14Å |
| 303 | L | 80.5 | Confident | 73.3 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.1 | -30.2 | 174.9 | -66.5 | 178.3 | 0 | 0 | 0 | 112.1 | H259 V299 E300 L306 | H259-L303 HydrophobicContact CB-CD1 4.45Å; H259-L303 HydrophobicContact CB-CD2 4.05Å; V299-L303 HydrophobicContact CG1-CB 3.9Å; V299-L303 HydrophobicContact CG1-CD1 4.33Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.46Å; L303-L306 HydrophobicContact CD2-CD1 4.38Å |
| 304 | Q | 82.3 | Confident | 71.2 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 13% | 0.126 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 175.3 | -54 | 175.2 | 30.8 | 0 | 0 | 110.7 | F228 R281 V299 E300 P301 Q302 L306 C307 V308 | F228-Q304 HydrophobicContact CD2-CB 3.71Å; F228-Q304 HydrophobicContact CD2-CG 3.72Å; F228-Q304 HydrophobicContact CE2-CB 4.01Å; F228-Q304 HydrophobicContact CE2-CG 3.79Å; F228-Q304 HydrophobicContact CG-CB 4.44Å; F228-Q304 HydrophobicContact CG-CG 4.16Å; F228-Q304 HydrophobicContact CZ-CG 4.24Å; R281-Q304 PolarHBondContact O-NE2 3.37Å; V299-Q304 HydrophobicContact CG1-CG 4.12Å; V299-Q304 PolarHBondContact O-NE2 2.78Å; E300-Q304 PolarHBondContact O-N 3.26Å; P301-Q304 WeakPolarHBondContact O-CB 3.28Å; P301-Q304 PolarHBondContact O-N 2.88Å; Q302-Q304 VanDerWaalsContact C-N 3.26Å; Q302-Q304 PolarHBondContact O-N 2.79Å; Q304-L306 VanDerWaalsContact C-N 3.33Å; Q304-L306 PolarHBondContact O-N 3.01Å; Q304-C307 PolarHBondContact O-N 2.85Å; Q304-C307 VanDerWaalsContact O-N 3.09Å; Q304-V308 WeakPolarHBondContact O-CG2 3.41Å |
| 305 | K | 80.1 | Confident | 69.4 | Low | 135 Ų | 135 | 86.9 Ų | 86.9 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | 177.5 | -72.8 | -166.6 | 172.8 | -131.9 | 0 | 113.1 | P301 Q302 C307 V308 D313 | P301-K305 PolarHBondContact O-N 2.96Å; Q302-K305 PolarHBondContact O-N 3.42Å; K305-C307 PolarHBondContact O-N 3.27Å; K305-V308 PolarHBondContact O-N 3.18Å; K305-D313 IonicContact NZ-OD2 3.47Å; K305-D313 PolarHBondContact NZ-OD2 2.77Å |
| 306 | L | 78.7 | Confident | 67.4 | Low | 110 Ų | 110 | 88.6 Ų | 88.6 | 58% | 0.576 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -10 | 176.5 | -65.3 | 173.6 | 0 | 0 | 0 | 114.5 | V258 Q302 L303 Q304 | V258-L306 HydrophobicContact CG1-CB 3.6Å; V258-L306 HydrophobicContact CG1-CD1 3.91Å; V258-L306 HydrophobicContact CG1-CG 4.42Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.14Å; L303-L306 HydrophobicContact CD2-CD1 4.38Å; Q304-L306 VanDerWaalsContact C-N 3.33Å; Q304-L306 PolarHBondContact O-N 3.01Å |
| 307 | C | 75.9 | Confident | 65 | Low | 0 Ų | 0 | 90.6 Ų | 90.6 | 0% | 0 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 3.3 | 174 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | S229 S230 Q304 K305 | S229-C307 WeakPolarHBondContact CB-O 2.99Å; S229-C307 WeakPolarHBondContact OG-CB 3.26Å; S230-C307 CarbonylContact C-O 3.55Å; S230-C307 WeakPolarHBondContact CA-O 3.2Å; S230-C307 PolarHBondContact N-O 2.94Å; Q304-C307 PolarHBondContact O-N 2.85Å; Q304-C307 VanDerWaalsContact O-N 3.09Å; K305-C307 PolarHBondContact O-N 3.27Å |
| 308 | V | 68.1 | Low | 62.5 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 29% | 0.285 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -96.7 | 154.2 | 178.3 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | Q304 K305 | Q304-V308 WeakPolarHBondContact O-CG2 3.41Å; K305-V308 PolarHBondContact O-N 3.18Å |
| 309 | S | 53.7 | Low | 60 | Low | 43 Ų | 43 | 89.9 Ų | 89.9 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | trans | -94.2 | 128.8 | 166.7 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | L311 V312 | S309-L311 PolarHBondContact O-N 2.93Å; S309-V312 PolarHBondContact O-N 2.9Å; S309-V312 VanDerWaalsContact O-N 3.12Å | ||
| 310 | D | 43.7 | Very low | 57.4 | Low | 148 Ų | 148 | 94.2 Ų | 94.2 | 79% | 0.791 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.4 | -176 | -60.7 | -44 | 0 | 0 | 0 | 114.2 | V312 | D310-V312 PolarHBondContact O-N 2.91Å; D310-V312 VanDerWaalsContact O-N 3.14Å |
| 311 | L | 47.5 | Very low | 55 | Low | 133 Ų | 133 | 95.5 Ų | 95.5 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -6.9 | 177.3 | -71.1 | 167.5 | 0 | 0 | 0 | 115.5 | S309 | S309-L311 PolarHBondContact O-N 2.93Š|
| 312 | V | 46.1 | Very low | 52.5 | Low | 71 Ų | 71 | 96 Ų | 96 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -29.2 | -175.7 | -169.7 | 0 | 0 | 0 | 0 | 113.2 | S309 D310 L315 M316 | S309-V312 PolarHBondContact O-N 2.9Å; S309-V312 VanDerWaalsContact O-N 3.12Å; D310-V312 PolarHBondContact O-N 2.91Å; D310-V312 VanDerWaalsContact O-N 3.14Å; V312-L315 PolarHBondContact O-N 2.82Å; V312-M316 HydrophobicContact CG1-CG 4.3Å; V312-M316 HydrophobicContact CG1-SD 4.01Å; V312-M316 PolarHBondContact O-N 3.25Å |
| 313 | D | 42.5 | Very low | 50.2 | Low | 72 Ų | 72 | 95.1 Ų | 95.1 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 179.1 | -96.1 | 6 | 0 | 0 | 0 | 110.6 | K305 L315 M316 D317 | K305-D313 IonicContact NZ-OD2 3.47Å; K305-D313 PolarHBondContact NZ-OD2 2.77Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 2.99Å; D313-M316 PolarHBondContact O-N 2.95Å; D313-M316 VanDerWaalsContact O-N 3.15Å; D313-D317 PolarHBondContact O-N 2.92Å; D313-D317 VanDerWaalsContact O-N 3.12Å |
| 314 | E | 38.1 | Very low | 47.6 | Very low | 156 Ų | 156 | 102.3 Ų | 102.3 | 73% | 0.729 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.5 | -31.9 | 177.6 | -68.8 | -168.6 | 160 | 0 | 0 | 113.3 | ||
| 315 | L | 44.6 | Very low | 44.9 | Very low | 126 Ų | 126 | 107.7 Ų | 107.7 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -86.9 | -15.5 | 179.4 | -71.5 | 169.8 | 0 | 0 | 0 | 113.8 | V312 D313 V319 | V312-L315 PolarHBondContact O-N 2.82Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 2.99Å; L315-V319 VanDerWaalsContact O-CG2 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å |
| 316 | M | 42 | Very low | 42.3 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -95.4 | -31.3 | 179.6 | -76.2 | -169.6 | 59.4 | 0 | 0 | 113.1 | V312 D313 S320 | V312-M316 HydrophobicContact CG1-CG 4.3Å; V312-M316 HydrophobicContact CG1-SD 4.01Å; V312-M316 PolarHBondContact O-N 3.25Å; D313-M316 PolarHBondContact O-N 2.95Å; D313-M316 VanDerWaalsContact O-N 3.15Å; M316-S320 PolarHBondContact O-OG 3.41Å |
| 317 | D | 36.5 | Very low | 39.7 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 58% | 0.578 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.6 | -39.7 | 174.1 | -79.9 | -17.1 | 0 | 0 | 0 | 111.6 | D313 V319 S320 | D313-D317 PolarHBondContact O-N 2.92Å; D313-D317 VanDerWaalsContact O-N 3.12Å; D317-V319 PolarHBondContact O-N 2.83Å; D317-S320 PolarHBondContact O-N 3.01Å; D317-S320 VanDerWaalsContact O-N 3.14Å |
| 318 | D | 33.8 | Very low | 37.2 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 67% | 0.674 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.7 | -34.6 | 177.8 | -96.6 | -0.8 | 0 | 0 | 0 | 113.7 | S320 | D318-S320 VanDerWaalsContact C-N 3.27Å; D318-S320 PolarHBondContact O-N 2.83Å |
| 319 | V | 36.7 | Very low | 35 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.8 | -20.4 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | L315 D317 | L315-V319 VanDerWaalsContact O-CG2 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; D317-V319 PolarHBondContact O-N 2.83Å |
| 320 | S | 30.3 | Very low | 33.5 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -86.5 | -10.8 | -176.6 | -60 | 0 | 0 | 0 | 0 | 114 | M316 D317 D318 | M316-S320 PolarHBondContact O-OG 3.41Å; D317-S320 PolarHBondContact O-N 3.01Å; D317-S320 VanDerWaalsContact O-N 3.14Å; D318-S320 VanDerWaalsContact C-N 3.27Å; D318-S320 PolarHBondContact O-N 2.83Å |
| 321 | I | 33.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -104.1 | -17.4 | -178.5 | -63.5 | 173.6 | 0 | 0 | 0 | 112 | ||
| 322 | A | 28.4 | Very low | 31.4 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -93.6 | 11.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 323 | V | 31.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -131.3 | 63.9 | 179.7 | -166.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 324 | E | 26.6 | Very low | 29.4 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -178.8 | 82.4 | 144.4 | -105.6 | 175.7 | -155.1 | 0 | 0 | 110.9 | ||
| 325 | T | 25.5 | Very low | 28.7 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -167.7 | 133 | 142.9 | 8.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 326 | E | 24.9 | Very low | 27.7 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 74.8 | 144.5 | 152.8 | -55.6 | -150 | 150 | 0 | 0 | 123.4 | ||||
| 327 | K | 24.2 | Very low | 27.6 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -108.7 | 162.4 | -179.9 | -77.4 | 172.1 | 170.9 | 170.5 | 0 | 109.6 | ||||
| 328 | S | 22.2 | Very low | 27.1 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 94.1 | 123.1 | 144.7 | 78.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 329 | L | 22.7 | Very low | 26.6 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | trans | 55.8 | 116.9 | 138.8 | -62.6 | 164.8 | 0 | 0 | 0 | 119.2 | ||||
| 330 | G | 22.5 | Very low | 26.1 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 172.2 | 100.3 | 163 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 331 | T | 22.2 | Very low | 25.9 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 160.1 | 174.2 | -40.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 332 | Q | 24 | Very low | 25.9 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 108.4 | 119.4 | 136.4 | -120.9 | 164.5 | 37.3 | 0 | 0 | 120.8 | ||||
| 333 | Q | 23.6 | Very low | 25.8 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 55.1 | 112.9 | 140.4 | -75.1 | 172.4 | -15.5 | 0 | 0 | 122.7 | ||||
| 334 | G | 23.2 | Very low | 25.4 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | 100.5 | 138.2 | 105.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 335 | G | 22.9 | Very low | 25.4 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | 125.4 | 85.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 336 | D | 24.2 | Very low | 25.4 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -65.1 | 163 | 138.9 | -97.6 | -43.1 | 0 | 0 | 0 | 109.1 | ||||
| 337 | P | 39.5 | Very low | 25.5 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -149.5 | 165.6 | 37.1 | 41.6 | -20.7 | 0 | 0 | 0 | 120 | ||||
| 338 | A | 25.9 | Very low | 25.5 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | 21 | 141.5 | 138.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 339 | S | 25 | Very low | 25.6 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | -167.5 | 161.6 | 106.3 | 64.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 340 | D | 26.4 | Very low | 26 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 64.4 | 104.4 | 157.9 | -63.2 | -4.4 | 0 | 0 | 0 | 122.7 | ||||
| 341 | G | 24.9 | Very low | 26 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -82.9 | -172.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 342 | P | 34.4 | Very low | 26.5 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | -139.5 | 177.3 | 87.2 | 35.4 | -20.2 | 0 | 0 | 0 | 115.4 | |||||
| 343 | Q | 25 | Very low | 26.6 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -87.1 | 156.9 | -165.1 | -60.9 | 163.4 | -17.3 | 0 | 0 | 114.4 | ||||
| 344 | G | 24.4 | Very low | 26.7 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | 110.5 | 109.6 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 345 | Q | 26.6 | Very low | 26.7 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | 179.3 | 144 | 94.8 | -92.1 | 179.6 | 14.1 | 0 | 0 | 110.7 | |||||
| 346 | A | 25.1 | Very low | 26.9 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -108.5 | 129 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 347 | V | 26.3 | Very low | 27.1 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -138.2 | 136.8 | 168.6 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 348 | S | 23.8 | Very low | 26.8 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -31.6 | 149.8 | -177.8 | 52.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 349 | R | 26.2 | Very low | 27.1 | Very low | 211 Ų | 211 | 123.9 Ų | 123.9 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -53.8 | 160.5 | 154.8 | -67.5 | -177.2 | 170 | -163.9 | -0 | 112.4 | D351 | R349-D351 IonicContact NH1-OD2 2.77Š| ||
| 350 | P | 29.6 | Very low | 28.3 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -135.2 | 154 | 97.5 | 37.5 | -28.4 | 0 | 0 | 0 | 114.5 | |||||
| 351 | D | 22.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | trans | -67.6 | 151 | 160.4 | -75.8 | -63.8 | 0 | 0 | 0 | 110 | R349 | R349-D351 IonicContact NH1-OD2 2.77Š| ||
| 352 | P | 32 | Very low | 31.9 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | -134.5 | 161 | 115.2 | 37.7 | -29.6 | 0 | 0 | 0 | 114.8 | |||||
| 353 | T | 26.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -79.4 | 162 | -173.6 | 46.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 354 | A | 25.5 | Very low | 35 | Very low | 98 Ų | 98 | 113 Ų | 113 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | 77.2 | 97.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 355 | G | 24.6 | Very low | 37.1 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 86% | 0.856 | 68% | 0.675 | S | S | * | * | 84 | 98.9 | 117.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 356 | S | 27.2 | Very low | 39.3 | Very low | 121 Ų | 121 | 102 Ų | 102 | 85% | 0.846 | 63% | 0.634 | S | S | * | * | trans | -158.8 | 140.6 | 135.8 | -169.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 357 | G | 28.2 | Very low | 41 | Very low | 65 Ų | 65 | 101.9 Ų | 101.9 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 143.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A359 | G357-A359 PolarHBondContact O-N 3.47Š|
| 358 | L | 32.8 | Very low | 42.4 | Very low | 181 Ų | 181 | 101.4 Ų | 101.4 | 95% | 0.948 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.5 | 172.1 | -79.8 | 160.2 | 0 | 0 | 0 | 109.7 | Q360 | L358-Q360 PolarHBondContact O-N 2.84Š|
| 359 | A | 33.2 | Very low | 44.3 | Very low | 82 Ų | 82 | 97.2 Ų | 97.2 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G357 T361 | G357-A359 PolarHBondContact O-N 3.47Å; A359-T361 PolarHBondContact O-N 2.95Å |
| 360 | Q | 48.6 | Very low | 45.6 | Very low | 129 Ų | 129 | 92.7 Ų | 92.7 | 60% | 0.603 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -58 | 129.2 | 171.5 | -74.8 | 176.2 | -23.9 | 0 | 0 | 109.3 | L358 | L358-Q360 PolarHBondContact O-N 2.84Š|
| 361 | T | 61 | Low | 47.3 | Very low | 86 Ų | 86 | 88.4 Ų | 88.4 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 147.4 | 176.7 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | A359 Q363 Q364 E365 | A359-T361 PolarHBondContact O-N 2.95Å; T361-Q363 PolarHBondContact O-N 3.03Å; T361-Q363 VanDerWaalsContact O-N 3.12Å; T361-Q364 WeakPolarHBondContact O-CA 3.33Å; T361-Q364 WeakPolarHBondContact O-CB 3.4Å; T361-Q364 PolarHBondContact O-N 3.34Å; T361-Q364 PolarHBondContact OG1-N 2.85Å; T361-E365 PolarHBondContact O-N 2.84Å; T361-E365 VanDerWaalsContact O-N 3.14Å |
| 362 | L | 65.8 | Low | 48.8 | Very low | 17 Ų | 17 | 91.2 Ų | 91.2 | 9% | 0.089 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -54.4 | -33.4 | 177.2 | -164.3 | 93.9 | 0 | 0 | 0 | 112 | Q364 E365 F366 R385 F404 Y408 | L362-Q364 VanDerWaalsContact C-N 3.33Å; L362-Q364 PolarHBondContact O-N 2.92Å; L362-E365 PolarHBondContact O-N 2.65Å; L362-F366 HydrophobicContact CD1-CE1 4.41Å; L362-F366 HydrophobicContact CD2-CE1 4.13Å; L362-F366 HydrophobicContact CD2-CE2 3.78Å; L362-F366 HydrophobicContact CD2-CZ 3.53Å; L362-F366 HydrophobicContact CG-CD1 4.46Å; L362-F366 HydrophobicContact CG-CE1 3.96Å; L362-F366 HydrophobicContact CG-CE2 4.32Å; L362-F366 HydrophobicContact CG-CZ 3.89Å; L362-F366 WeakPolarHBondContact O-CG 3.35Å; L362-F366 PolarHBondContact O-N 3.06Å; L362-R385 HydrophobicContact CD2-CB 4.12Å; L362-R385 HydrophobicContact CD2-CG 4.25Å; L362-F404 HydrophobicContact CD1-CB 3.87Å; L362-F404 HydrophobicContact CD1-CD1 3.95Å; L362-F404 HydrophobicContact CD1-CD2 4.5Å; L362-F404 HydrophobicContact CD1-CG 3.87Å; L362-F404 HydrophobicContact CD2-CB 4.31Å; L362-F404 HydrophobicContact CD2-CG 4.49Å; L362-Y408 HydrophobicContact CD1-CD1 3.52Å; L362-Y408 HydrophobicContact CD1-CE1 3.71Å |
| 363 | Q | 62.1 | Low | 50.6 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 173.2 | -174.7 | 70.4 | 70.6 | 0 | 0 | 112.4 | T361 F366 S367 A382 | T361-Q363 PolarHBondContact O-N 3.03Å; T361-Q363 VanDerWaalsContact O-N 3.12Å; Q363-F366 PolarHBondContact O-N 2.84Å; Q363-S367 PolarHBondContact O-N 3.41Å; Q363-S367 PolarHBondContact O-OG 2.84Å; Q363-A382 HydrophobicContact CB-CB 4.42Å |
| 364 | Q | 63 | Low | 52.1 | Low | 94 Ų | 94 | 91.7 Ų | 91.7 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 177.8 | -167 | 177.6 | 12.2 | 0 | 0 | 111.6 | T361 L362 L368 | T361-Q364 WeakPolarHBondContact O-CA 3.33Å; T361-Q364 WeakPolarHBondContact O-CB 3.4Å; T361-Q364 PolarHBondContact O-N 3.34Å; T361-Q364 PolarHBondContact OG1-N 2.85Å; L362-Q364 VanDerWaalsContact C-N 3.33Å; L362-Q364 PolarHBondContact O-N 2.92Å; Q364-L368 HydrophobicContact CG-CD1 4.11Å; Q364-L368 WeakPolarHBondContact O-CB 3.47Å; Q364-L368 WeakPolarHBondContact O-CD1 3.48Å; Q364-L368 WeakPolarHBondContact O-CG 3.37Å; Q364-L368 PolarHBondContact O-N 2.87Å |
| 365 | E | 68.2 | Low | 54.3 | Low | 17 Ų | 17 | 92.2 Ų | 92.2 | 8% | 0.079 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 170 | -176.1 | 175.2 | 156.1 | 0 | 0 | 110.6 | T361 L362 S367 L368 V369 Y408 N449 | T361-E365 PolarHBondContact O-N 2.84Å; T361-E365 VanDerWaalsContact O-N 3.14Å; L362-E365 PolarHBondContact O-N 2.65Å; E365-S367 VanDerWaalsContact C-N 3.34Å; E365-S367 PolarHBondContact O-N 3.3Å; E365-L368 PolarHBondContact O-N 3.01Å; E365-V369 HydrophobicContact CG-CG2 4.28Å; E365-V369 VanDerWaalsContact O-CG2 3.24Å; E365-V369 WeakPolarHBondContact O-CG2 3.44Å; E365-V369 PolarHBondContact O-N 3.09Å; E365-Y408 PolarHBondContact OE1-OH 2.89Å; E365-Y408 VanDerWaalsContact OE2-CE1 3.23Å; E365-Y408 WeakPolarHBondContact OE2-CE1 3.35Å; E365-Y408 PolarHBondContact OE2-OH 2.86Å; E365-N449 HydrophobicContact CG-CB 4.15Å; E365-N449 WeakPolarHBondContact OE1-CB 3.37Å |
| 366 | F | 73.4 | Confident | 57 | Low | 16 Ų | 16 | 89 Ų | 89 | 7% | 0.07 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 180 | -70 | -0.9 | 0 | 0 | 0 | 112.9 | L362 Q363 L368 M380 A382 F404 L451 | L362-F366 HydrophobicContact CD1-CE1 4.41Å; L362-F366 HydrophobicContact CD2-CE1 4.13Å; L362-F366 HydrophobicContact CD2-CE2 3.78Å; L362-F366 HydrophobicContact CD2-CZ 3.53Å; L362-F366 HydrophobicContact CG-CD1 4.46Å; L362-F366 HydrophobicContact CG-CE1 3.96Å; L362-F366 HydrophobicContact CG-CE2 4.32Å; L362-F366 HydrophobicContact CG-CZ 3.89Å; L362-F366 WeakPolarHBondContact O-CG 3.35Å; L362-F366 PolarHBondContact O-N 3.06Å; Q363-F366 PolarHBondContact O-N 2.84Å; F366-L368 VanDerWaalsContact C-N 3.25Å; F366-L368 PolarHBondContact O-N 2.87Å; F366-M380 HydrophobicContact CB-CB 4.37Å; F366-M380 HydrophobicContact CB-SD 3.7Å; F366-M380 HydrophobicContact CD1-SD 3.95Å; F366-M380 HydrophobicContact CD2-CB 3.67Å; F366-M380 HydrophobicContact CD2-CG 4.48Å; F366-M380 HydrophobicContact CD2-SD 4.38Å; F366-M380 HydrophobicContact CE2-CB 4.03Å; F366-M380 HydrophobicContact CG-CB 4.04Å; F366-M380 HydrophobicContact CG-CG 4.43Å; F366-M380 HydrophobicContact CG-SD 3.77Å; F366-A382 HydrophobicContact CD2-CB 3.92Å; F366-A382 HydrophobicContact CE2-CB 4.26Å; F366-F404 HydrophobicContact CE1-CD2 4.39Å; F366-F404 AromaticContact CE1-CE2 3.89Å; F366-F404 HydrophobicContact CE1-CE2 3.89Å; F366-F404 HydrophobicContact CE1-CZ 4.12Å; F366-F404 AromaticContact CZ-CD2 3.96Å; F366-F404 HydrophobicContact CZ-CD2 3.96Å; F366-F404 AromaticContact CZ-CE2 3.73Å; F366-F404 HydrophobicContact CZ-CE2 3.73Å; F366-F404 HydrophobicContact CZ-CZ 4.41Å; F366-L451 HydrophobicContact CD1-CD2 4.17Å; F366-L451 HydrophobicContact CE1-CD2 3.97Å |
| 367 | S | 59.7 | Low | 59.5 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.2 | -17 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 114.6 | Q363 E365 | Q363-S367 PolarHBondContact O-N 3.41Å; Q363-S367 PolarHBondContact O-OG 2.84Å; E365-S367 VanDerWaalsContact C-N 3.34Å; E365-S367 PolarHBondContact O-N 3.3Å |
| 368 | L | 56.7 | Low | 62.2 | Low | 121 Ų | 121 | 85.3 Ų | 85.3 | 63% | 0.634 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -103.3 | -6.7 | -177.6 | -69.2 | 171.2 | 0 | 0 | 0 | 113.7 | Q364 E365 F366 N370 | Q364-L368 HydrophobicContact CG-CD1 4.11Å; Q364-L368 WeakPolarHBondContact O-CB 3.47Å; Q364-L368 WeakPolarHBondContact O-CD1 3.48Å; Q364-L368 WeakPolarHBondContact O-CG 3.37Å; Q364-L368 PolarHBondContact O-N 2.87Å; E365-L368 PolarHBondContact O-N 3.01Å; F366-L368 VanDerWaalsContact C-N 3.25Å; F366-L368 PolarHBondContact O-N 2.87Å; L368-N370 PolarHBondContact O-N 2.93Å |
| 369 | V | 63.5 | Low | 64.5 | Low | 18 Ų | 18 | 82 Ų | 82 | 11% | 0.109 | 42% | 0.423 | C | S | . | . | trans | -84.1 | 96.4 | -176.5 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | E365 L371 M380 L451 E452 | E365-V369 HydrophobicContact CG-CG2 4.28Å; E365-V369 VanDerWaalsContact O-CG2 3.24Å; E365-V369 WeakPolarHBondContact O-CG2 3.44Å; E365-V369 PolarHBondContact O-N 3.09Å; V369-L371 HydrophobicContact CG1-CB 4.46Å; V369-L371 HydrophobicContact CG1-CD1 3.35Å; V369-L371 HydrophobicContact CG1-CG 3.51Å; V369-L371 PolarHBondContact O-N 3.1Å; V369-M380 HydrophobicContact CB-CE 4.07Å; V369-M380 HydrophobicContact CG1-CE 3.67Å; V369-L451 HydrophobicContact CG1-CD2 4.44Å; V369-E452 HydrophobicContact CG1-CB 4.45Å | ||
| 370 | N | 54.3 | Low | 66.9 | Low | 116 Ų | 116 | 81 Ų | 81 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | trans | -84.8 | 90.7 | 176.3 | -172.1 | -1.2 | 0 | 0 | 0 | 111.7 | L368 | L368-N370 PolarHBondContact O-N 2.93Š| ||
| 371 | L | 64.3 | Low | 68.3 | Low | 27 Ų | 27 | 77.7 Ų | 77.7 | 14% | 0.141 | 39% | 0.391 | C | S | . | . | trans | -104.9 | 63.4 | -179.5 | -74.6 | 171.2 | 0 | 0 | 0 | 113.1 | V369 I373 V378 M380 E452 V455 | V369-L371 HydrophobicContact CG1-CB 4.46Å; V369-L371 HydrophobicContact CG1-CD1 3.35Å; V369-L371 HydrophobicContact CG1-CG 3.51Å; V369-L371 PolarHBondContact O-N 3.1Å; L371-I373 VanDerWaalsContact C-N 3.32Å; L371-I373 HydrophobicContact CD2-CD1 3.78Å; L371-I373 HydrophobicContact CD2-CG1 4.49Å; L371-I373 PolarHBondContact O-N 3.3Å; L371-V378 HydrophobicContact CD1-CB 4.46Å; L371-V378 HydrophobicContact CD1-CG1 4.31Å; L371-V378 HydrophobicContact CD1-CG2 4.05Å; L371-M380 HydrophobicContact CD1-CE 4.38Å; L371-E452 HydrophobicContact CD2-CB 4.22Å; L371-E452 HydrophobicContact CD2-CG 4.01Å; L371-V455 HydrophobicContact CD1-CB 4.28Å; L371-V455 HydrophobicContact CD1-CG1 4.36Å; L371-V455 HydrophobicContact CD1-CG2 4.08Å; L371-V455 HydrophobicContact CD2-CB 4.27Å; L371-V455 HydrophobicContact CD2-CG1 4.22Å | ||
| 372 | Q | 55.7 | Low | 68.8 | Low | 183 Ų | 183 | 74.7 Ų | 74.7 | 86% | 0.855 | 38% | 0.376 | S | S | * | . | trans | -78.3 | 81.8 | 164.2 | -69.7 | -168.5 | -3.5 | 0 | 0 | 111 | ||||
| 373 | I | 68.2 | Low | 69.1 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 21% | 0.21 | 41% | 0.414 | C | S | . | . | trans | -115.7 | 127.8 | 173.9 | -58.5 | 171.9 | 0 | 0 | 0 | 108.6 | L371 N375 V376 V455 R456 V459 | L371-I373 VanDerWaalsContact C-N 3.32Å; L371-I373 HydrophobicContact CD2-CD1 3.78Å; L371-I373 HydrophobicContact CD2-CG1 4.49Å; L371-I373 PolarHBondContact O-N 3.3Å; I373-N375 PolarHBondContact O-N 2.85Å; I373-V376 HydrophobicContact CB-CB 4.26Å; I373-V376 HydrophobicContact CB-CG2 4.4Å; I373-V376 HydrophobicContact CG2-CB 4.28Å; I373-V376 HydrophobicContact CG2-CG2 3.88Å; I373-V376 PolarHBondContact O-N 3.48Å; I373-V455 HydrophobicContact CD1-CG1 3.95Å; I373-R456 HydrophobicContact CD1-CG 4.03Å; I373-V459 HydrophobicContact CG2-CG2 4.2Å | ||
| 374 | R | 58.8 | Low | 69.9 | Low | 226 Ų | 226 | 85.7 Ų | 85.7 | 85% | 0.853 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.6 | 179.7 | -70.2 | -175.3 | 178.2 | -177.1 | -0.7 | 110.4 | V376 | R374-V376 PolarHBondContact O-N 2.87Š|
| 375 | N | 71.8 | Confident | 70.9 | Confident | 108 Ų | 108 | 84.5 Ų | 84.5 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 21.1 | 179 | -44.6 | -21.4 | 0 | 0 | 0 | 115.7 | I373 A391 H392 | I373-N375 PolarHBondContact O-N 2.85Å; N375-A391 WeakPolarHBondContact O-CA 3.22Å; N375-H392 WeakPolarHBondContact CB-O 3.44Å; N375-H392 PolarHBondContact O-N 2.85Å |
| 376 | V | 81.3 | Confident | 71.7 | Confident | 16 Ų | 16 | 84.6 Ų | 84.6 | 10% | 0.097 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.2 | 171.6 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | I373 R374 V378 V389 S390 A391 F393 V455 V459 | I373-V376 HydrophobicContact CB-CB 4.26Å; I373-V376 HydrophobicContact CB-CG2 4.4Å; I373-V376 HydrophobicContact CG2-CB 4.28Å; I373-V376 HydrophobicContact CG2-CG2 3.88Å; I373-V376 PolarHBondContact O-N 3.48Å; R374-V376 PolarHBondContact O-N 2.87Å; V376-V378 HydrophobicContact CG1-CG2 4Å; V376-V389 HydrophobicContact CG1-CG1 3.86Å; V376-S390 CarbonylContact C-O 3.59Å; V376-S390 WeakPolarHBondContact CA-O 3.2Å; V376-A391 HydrophobicContact CG1-CB 4.42Å; V376-A391 HydrophobicContact CG2-CB 3.99Å; V376-F393 HydrophobicContact CG2-CE2 4.08Å; V376-F393 HydrophobicContact CG2-CZ 4.29Å; V376-V455 HydrophobicContact CG1-CG1 4.03Å; V376-V459 HydrophobicContact CG2-CG2 3.68Å |
| 377 | N | 79.7 | Confident | 72.4 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.1 | 167.7 | -172.2 | 34.3 | 0 | 0 | 0 | 110 | E379 S390 | N377-E379 PolarHBondContact ND2-OE1 2.87Å; N377-S390 PolarHBondContact N-O 2.96Å; N377-S390 PolarHBondContact O-N 3.18Å |
| 378 | V | 83.7 | Confident | 73.7 | Confident | 24 Ų | 24 | 81.4 Ų | 81.4 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 106.9 | -178.2 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | L371 V376 M380 C387 V388 V389 V455 | L371-V378 HydrophobicContact CD1-CB 4.46Å; L371-V378 HydrophobicContact CD1-CG1 4.31Å; L371-V378 HydrophobicContact CD1-CG2 4.05Å; V376-V378 HydrophobicContact CG1-CG2 4Å; V378-M380 HydrophobicContact CB-CE 4.41Å; V378-M380 HydrophobicContact CG1-CE 3.71Å; V378-M380 HydrophobicContact CG1-CG 4.1Å; V378-C387 WeakPolarHBondContact CG1-SG 3.34Å; V378-V388 WeakPolarHBondContact CA-O 3.31Å; V378-V389 HydrophobicContact CG1-CG2 4.26Å; V378-V389 HydrophobicContact CG2-CG1 4.34Å; V378-V389 HydrophobicContact CG2-CG2 4.38Å; V378-V455 HydrophobicContact CG2-CG1 4.49Å |
| 379 | E | 82 | Confident | 75.2 | Confident | 110 Ų | 110 | 75.8 Ų | 75.8 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.8 | 178.6 | -70.4 | 165.5 | -153.8 | 0 | 0 | 109 | N377 C387 V388 | N377-E379 PolarHBondContact ND2-OE1 2.87Å; E379-C387 CarbonylContact O-C 3.54Å; E379-C387 WeakPolarHBondContact O-CA 3.4Å; E379-V388 HydrophobicContact CB-CB 4.38Å; E379-V388 PolarHBondContact N-O 3.46Å; E379-V388 PolarHBondContact O-N 3.35Å |
| 380 | M | 83 | Confident | 76.3 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.5 | -172.9 | -56.8 | -173.9 | -161.7 | 0 | 0 | 111 | F366 V369 L371 V378 L451 | F366-M380 HydrophobicContact CB-CB 4.37Å; F366-M380 HydrophobicContact CB-SD 3.7Å; F366-M380 HydrophobicContact CD1-SD 3.95Å; F366-M380 HydrophobicContact CD2-CB 3.67Å; F366-M380 HydrophobicContact CD2-CG 4.48Å; F366-M380 HydrophobicContact CD2-SD 4.38Å; F366-M380 HydrophobicContact CE2-CB 4.03Å; F366-M380 HydrophobicContact CG-CB 4.04Å; F366-M380 HydrophobicContact CG-CG 4.43Å; F366-M380 HydrophobicContact CG-SD 3.77Å; V369-M380 HydrophobicContact CB-CE 4.07Å; V369-M380 HydrophobicContact CG1-CE 3.67Å; L371-M380 HydrophobicContact CD1-CE 4.38Å; V378-M380 HydrophobicContact CB-CE 4.41Å; V378-M380 HydrophobicContact CG1-CE 3.71Å; V378-M380 HydrophobicContact CG1-CG 4.1Å; M380-L451 HydrophobicContact CE-CD2 4.18Å; M380-L451 HydrophobicContact SD-CD2 4.17Å |
| 381 | D | 78.8 | Confident | 77.8 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 31% | 0.31 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 96.9 | 176.1 | -173.7 | -16.5 | 0 | 0 | 0 | 110.3 | R383 N384 R385 S386 | D381-R383 VanDerWaalsContact C-N 3.29Å; D381-R383 PolarHBondContact O-N 2.91Å; D381-R383 WeakPolarHBondContact OD1-CA 3.23Å; D381-R383 WeakPolarHBondContact OD1-CB 3.38Å; D381-R383 PolarHBondContact OD1-N 3.16Å; D381-N384 HydrophobicContact CB-CB 4.44Å; D381-N384 PolarHBondContact OD1-N 3.37Å; D381-N384 WeakPolarHBondContact OD2-CB 3.3Å; D381-N384 PolarHBondContact OD2-ND2 2.91Å; D381-R385 WeakPolarHBondContact O-CA 3.48Å; D381-R385 PolarHBondContact O-N 3.04Å; D381-S386 CarbonylContact C-O 3.52Å; D381-S386 PolarHBondContact N-O 2.87Å; D381-S386 PolarHBondContact O-N 3.02Å |
| 382 | A | 70.7 | Confident | 78.5 | Confident | 24 Ų | 24 | 72.4 Ų | 72.4 | 20% | 0.198 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q363 F366 | Q363-A382 HydrophobicContact CB-CB 4.42Å; F366-A382 HydrophobicContact CD2-CB 3.92Å; F366-A382 HydrophobicContact CE2-CB 4.26Å |
| 383 | R | 73 | Confident | 79.5 | Confident | 236 Ų | 236 | 65.2 Ų | 65.2 | 89% | 0.891 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -45.1 | 178.2 | -57.4 | -172.7 | -164.4 | -148.5 | 4.5 | 110.3 | D381 R385 | D381-R383 VanDerWaalsContact C-N 3.29Å; D381-R383 PolarHBondContact O-N 2.91Å; D381-R383 WeakPolarHBondContact OD1-CA 3.23Å; D381-R383 WeakPolarHBondContact OD1-CB 3.38Å; D381-R383 PolarHBondContact OD1-N 3.16Å; R383-R385 VanDerWaalsContact C-N 3.29Å |
| 384 | N | 78.1 | Confident | 79.7 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 65% | 0.647 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3 | 177.1 | -68.2 | -44 | 0 | 0 | 0 | 113.6 | D381 S386 | D381-N384 HydrophobicContact CB-CB 4.44Å; D381-N384 PolarHBondContact OD1-N 3.37Å; D381-N384 WeakPolarHBondContact OD2-CB 3.3Å; D381-N384 PolarHBondContact OD2-ND2 2.91Å; N384-S386 PolarHBondContact O-N 2.85Å |
| 385 | R | 84.1 | Confident | 80.3 | Confident | 68 Ų | 68 | 60 Ų | 60 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.6 | -177.2 | -57.9 | -178.4 | 65.1 | 97.5 | -1.2 | 112.6 | L362 D381 R383 F404 P405 V406 | L362-R385 HydrophobicContact CD2-CB 4.12Å; L362-R385 HydrophobicContact CD2-CG 4.25Å; D381-R385 WeakPolarHBondContact O-CA 3.48Å; D381-R385 PolarHBondContact O-N 3.04Å; R383-R385 VanDerWaalsContact C-N 3.29Å; R385-F404 HydrophobicContact CB-CB 4.43Å; R385-F404 PolarHBondContact NE-O 3.01Å; R385-F404 WeakPolarHBondContact O-CD2 3.49Å; R385-F404 PolarHBondContact O-N 3.01Å; R385-P405 PolarHBondContact NH2-O 2.75Å; R385-V406 PolarHBondContact NH2-O 2.9Å |
| 386 | S | 85.3 | Confident | 80.5 | Confident | 20 Ų | 20 | 57 Ų | 57 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 161.6 | -176.8 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | D381 N384 V402 N403 | D381-S386 CarbonylContact C-O 3.52Å; D381-S386 PolarHBondContact N-O 2.87Å; D381-S386 PolarHBondContact O-N 3.02Å; N384-S386 PolarHBondContact O-N 2.85Å; S386-V402 CarbonylContact C-O 3.57Å; S386-V402 VanDerWaalsContact CA-O 3.26Å; S386-V402 WeakPolarHBondContact CA-O 3.48Å; S386-N403 VanDerWaalsContact CB-OD1 3.31Å; S386-N403 WeakPolarHBondContact CB-OD1 3.49Å |
| 387 | C | 87 | Confident | 80.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 131.1 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | V378 E379 V401 V402 F404 | V378-C387 WeakPolarHBondContact CG1-SG 3.34Å; E379-C387 CarbonylContact O-C 3.54Å; E379-C387 WeakPolarHBondContact O-CA 3.4Å; C387-V401 CarbonylContact O-C 3.47Å; C387-V401 WeakPolarHBondContact O-CA 3.47Å; C387-V402 HydrophobicContact CB-CB 4.3Å; C387-V402 PolarHBondContact N-O 2.97Å; C387-V402 PolarHBondContact O-N 2.79Å; C387-F404 HydrophobicContact CB-CE2 3.95Å |
| 388 | V | 87.7 | Confident | 81 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.3 | -179.3 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V378 E379 V401 | V378-V388 WeakPolarHBondContact CA-O 3.31Å; E379-V388 HydrophobicContact CB-CB 4.38Å; E379-V388 PolarHBondContact N-O 3.46Å; E379-V388 PolarHBondContact O-N 3.35Å; V388-V401 HydrophobicContact CG2-CG2 4.3Å |
| 389 | V | 88.2 | Confident | 81.1 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | V376 V378 H399 L400 V402 V455 L458 | V376-V389 HydrophobicContact CG1-CG1 3.86Å; V378-V389 HydrophobicContact CG1-CG2 4.26Å; V378-V389 HydrophobicContact CG2-CG1 4.34Å; V378-V389 HydrophobicContact CG2-CG2 4.38Å; V389-H399 WeakPolarHBondContact O-CA 3.14Å; V389-L400 HydrophobicContact CB-CB 4.43Å; V389-L400 PolarHBondContact N-O 2.9Å; V389-L400 PolarHBondContact O-N 2.97Å; V389-V402 HydrophobicContact CG2-CG2 4.34Å; V389-V455 HydrophobicContact CG1-CG1 4.42Å; V389-V455 HydrophobicContact CG1-CG2 4.38Å; V389-V455 HydrophobicContact CG2-CG2 3.9Å; V389-L458 HydrophobicContact CG1-CD2 3.74Å |
| 390 | S | 86.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.2 | -178.8 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | V376 N377 V398 H399 | V376-S390 CarbonylContact C-O 3.59Å; V376-S390 WeakPolarHBondContact CA-O 3.2Å; N377-S390 PolarHBondContact N-O 2.96Å; N377-S390 PolarHBondContact O-N 3.18Å; S390-V398 CarbonylContact C-O 3.5Å; S390-V398 WeakPolarHBondContact CA-O 3.36Å; S390-H399 PolarHBondContact OG-CE1 3.36Å; S390-H399 PolarHBondContact OG-ND1 2.86Å |
| 391 | A | 86.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N375 V376 F393 V398 L462 | N375-A391 WeakPolarHBondContact O-CA 3.22Å; V376-A391 HydrophobicContact CG1-CB 4.42Å; V376-A391 HydrophobicContact CG2-CB 3.99Å; A391-F393 HydrophobicContact CB-CD2 4.29Å; A391-F393 HydrophobicContact CB-CE2 4.05Å; A391-V398 HydrophobicContact CB-CB 4.38Å; A391-V398 PolarHBondContact N-O 2.82Å; A391-V398 PolarHBondContact O-N 2.86Å; A391-L462 HydrophobicContact CB-CD1 4.48Å |
| 392 | H | 80.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 110.4 | -175.7 | -59.9 | 75.4 | 0 | 0 | 0 | 110.6 | N375 R397 | N375-H392 WeakPolarHBondContact CB-O 3.44Å; N375-H392 PolarHBondContact O-N 2.85Å; H392-R397 PolarHBondContact NE2-NE 2.82Å; H392-R397 PolarHBondContact NE2-NH2 2.93Å |
| 393 | F | 74.9 | Confident | 83.4 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 110.1 | -179.2 | -73.8 | -90.8 | 0 | 0 | 0 | 109.6 | V376 A391 G395 Q396 V459 L462 E463 | V376-F393 HydrophobicContact CG2-CE2 4.08Å; V376-F393 HydrophobicContact CG2-CZ 4.29Å; A391-F393 HydrophobicContact CB-CD2 4.29Å; A391-F393 HydrophobicContact CB-CE2 4.05Å; F393-G395 PolarHBondContact O-N 3.1Å; F393-Q396 PolarHBondContact N-O 3.06Å; F393-Q396 WeakPolarHBondContact O-CB 3.04Å; F393-Q396 PolarHBondContact O-N 2.97Å; F393-V459 HydrophobicContact CE1-CG1 4.19Å; F393-V459 HydrophobicContact CE2-CG2 4.2Å; F393-V459 HydrophobicContact CZ-CB 4.31Å; F393-V459 HydrophobicContact CZ-CG1 3.68Å; F393-V459 HydrophobicContact CZ-CG2 3.99Å; F393-L462 HydrophobicContact CD2-CB 4.33Å; F393-L462 HydrophobicContact CD2-CD1 3.87Å; F393-L462 HydrophobicContact CE2-CD1 4.13Å; F393-L462 HydrophobicContact CG-CB 4.5Å; F393-E463 HydrophobicContact CE1-CG 4.17Å |
| 394 | G | 74 | Confident | 84.1 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 84% | 0.835 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -132.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q396 | G394-Q396 VanDerWaalsContact C-N 3.25Å; G394-Q396 PolarHBondContact O-N 3.02Å |
| 395 | G | 70.3 | Confident | 84.4 | Confident | 78 Ų | 78 | 35.2 Ų | 35.2 | 80% | 0.804 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -1.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | F393 | F393-G395 PolarHBondContact O-N 3.1Š|
| 396 | Q | 76.9 | Confident | 84 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.5 | -176 | -61.7 | -176 | 3.9 | 0 | 0 | 111.7 | F393 G394 T423 I424 | F393-Q396 PolarHBondContact N-O 3.06Å; F393-Q396 WeakPolarHBondContact O-CB 3.04Å; F393-Q396 PolarHBondContact O-N 2.97Å; G394-Q396 VanDerWaalsContact C-N 3.25Å; G394-Q396 PolarHBondContact O-N 3.02Å; Q396-T423 WeakPolarHBondContact CA-OG1 3.08Å; Q396-I424 HydrophobicContact CB-CG2 4.14Å |
| 397 | R | 82.1 | Confident | 83.5 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.4 | 177.7 | -64.9 | -175.7 | 60.2 | 161.8 | -2.9 | 109.4 | H392 H399 T422 T423 | H392-R397 PolarHBondContact NE2-NE 2.82Å; H392-R397 PolarHBondContact NE2-NH2 2.93Å; R397-H399 PolarHBondContact NH2-NE2 3.22Å; R397-T422 CarbonylContact O-C 3.58Å; R397-T422 WeakPolarHBondContact O-CA 3.29Å; R397-T423 PolarHBondContact N-OG1 3.02Å; R397-T423 PolarHBondContact O-N 3.47Å |
| 398 | V | 87.9 | Confident | 83 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.9 | 179.8 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | S390 A391 F418 T422 I424 L462 | S390-V398 CarbonylContact C-O 3.5Å; S390-V398 WeakPolarHBondContact CA-O 3.36Å; A391-V398 HydrophobicContact CB-CB 4.38Å; A391-V398 PolarHBondContact N-O 2.82Å; A391-V398 PolarHBondContact O-N 2.86Å; V398-F418 HydrophobicContact CG1-CD1 4.09Å; V398-F418 HydrophobicContact CG1-CE1 3.77Å; V398-T422 HydrophobicContact CG1-CG2 4.38Å; V398-I424 HydrophobicContact CG1-CD1 4.33Å; V398-I424 HydrophobicContact CG2-CD1 3.95Å; V398-I424 HydrophobicContact CG2-CG1 4.16Å; V398-I424 HydrophobicContact CG2-CG2 3.56Å; V398-L462 HydrophobicContact CG2-CD1 4.08Å; V398-L462 HydrophobicContact CG2-CD2 3.97Å |
| 399 | H | 87.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.8 | 170.8 | -68.3 | -86.7 | 0 | 0 | 0 | 108 | V389 S390 R397 V419 P421 T422 | V389-H399 WeakPolarHBondContact O-CA 3.14Å; S390-H399 PolarHBondContact OG-CE1 3.36Å; S390-H399 PolarHBondContact OG-ND1 2.86Å; R397-H399 PolarHBondContact NH2-NE2 3.22Å; H399-V419 PolarHBondContact O-N 2.95Å; H399-P421 PolarHBondContact CD2-O 3.03Å; H399-T422 HydrophobicContact CB-CG2 4.34Å; H399-T422 VanDerWaalsContact O-CG2 3.23Å; H399-T422 WeakPolarHBondContact O-CG2 3.23Å |
| 400 | L | 91.1 | Very high | 80.9 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.1 | -174.8 | 179.5 | 75.2 | 0 | 0 | 0 | 109.6 | V389 V402 F416 F418 L436 L458 | V389-L400 HydrophobicContact CB-CB 4.43Å; V389-L400 PolarHBondContact N-O 2.9Å; V389-L400 PolarHBondContact O-N 2.97Å; L400-V402 HydrophobicContact CD2-CG2 4.4Å; L400-F416 HydrophobicContact CD1-CB 4.26Å; L400-F416 HydrophobicContact CD2-CD1 4.18Å; L400-F418 HydrophobicContact CB-CD1 4.39Å; L400-F418 HydrophobicContact CB-CE1 4.46Å; L400-F418 HydrophobicContact CD1-CD1 3.77Å; L400-F418 HydrophobicContact CD1-CD2 4.35Å; L400-F418 HydrophobicContact CD1-CE1 3.76Å; L400-F418 HydrophobicContact CD1-CE2 4.33Å; L400-F418 HydrophobicContact CD1-CG 4.09Å; L400-F418 HydrophobicContact CD1-CZ 4.05Å; L400-L436 HydrophobicContact CD2-CD1 3.52Å; L400-L458 HydrophobicContact CD2-CD2 4.26Å |
| 401 | V | 90.4 | Very high | 80.1 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.2 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | C387 V388 N403 Q417 V419 | C387-V401 CarbonylContact O-C 3.47Å; C387-V401 WeakPolarHBondContact O-CA 3.47Å; V388-V401 HydrophobicContact CG2-CG2 4.3Å; V401-N403 WeakPolarHBondContact CG1-OD1 3.48Å; V401-Q417 PolarHBondContact N-O 2.87Å; V401-Q417 PolarHBondContact O-N 3.26Å; V401-V419 HydrophobicContact CB-CG2 4.38Å; V401-V419 HydrophobicContact CG2-CG2 3.56Å |
| 402 | V | 90.8 | Very high | 79.8 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118 | 177.4 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | S386 C387 V389 L400 F404 P414 S415 F416 | S386-V402 CarbonylContact C-O 3.57Å; S386-V402 VanDerWaalsContact CA-O 3.26Å; S386-V402 WeakPolarHBondContact CA-O 3.48Å; C387-V402 HydrophobicContact CB-CB 4.3Å; C387-V402 PolarHBondContact N-O 2.97Å; C387-V402 PolarHBondContact O-N 2.79Å; V389-V402 HydrophobicContact CG2-CG2 4.34Å; L400-V402 HydrophobicContact CD2-CG2 4.4Å; V402-F404 HydrophobicContact CB-CE2 4.31Å; V402-F404 HydrophobicContact CG1-CE1 4.48Å; V402-F404 HydrophobicContact CG1-CE2 3.89Å; V402-F404 HydrophobicContact CG1-CZ 3.84Å; V402-P414 HydrophobicContact CG1-CB 3.8Å; V402-P414 HydrophobicContact CG1-CG 4.3Å; V402-S415 WeakPolarHBondContact CA-O 3.38Å; V402-F416 HydrophobicContact CB-CD1 4.44Å; V402-F416 HydrophobicContact CB-CE1 4.47Å; V402-F416 HydrophobicContact CG1-CD1 4.06Å; V402-F416 HydrophobicContact CG1-CE1 3.73Å; V402-F416 HydrophobicContact CG1-CZ 4.48Å; V402-F416 HydrophobicContact CG2-CD1 3.88Å; V402-F416 HydrophobicContact CG2-CE1 3.99Å |
| 403 | N | 88.8 | Confident | 80 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.8 | -177.5 | -67.2 | -33.6 | 0 | 0 | 0 | 110.7 | S386 V401 P414 S415 | S386-N403 VanDerWaalsContact CB-OD1 3.31Å; S386-N403 WeakPolarHBondContact CB-OD1 3.49Å; V401-N403 WeakPolarHBondContact CG1-OD1 3.48Å; N403-P414 CarbonylContact O-C 3.53Å; N403-P414 WeakPolarHBondContact O-CA 3.48Å; N403-P414 VanDerWaalsContact O-CB 3.3Å; N403-P414 WeakPolarHBondContact O-CB 3.42Å; N403-S415 PolarHBondContact N-O 2.8Å; N403-S415 PolarHBondContact O-N 2.87Å |
| 404 | F | 87.8 | Confident | 80.6 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | trans | -101.5 | 111.9 | -174 | -65 | -92.1 | 0 | 0 | 0 | 111.7 | L362 F366 R385 C387 V402 Y408 P414 L451 | L362-F404 HydrophobicContact CD1-CB 3.87Å; L362-F404 HydrophobicContact CD1-CD1 3.95Å; L362-F404 HydrophobicContact CD1-CD2 4.5Å; L362-F404 HydrophobicContact CD1-CG 3.87Å; L362-F404 HydrophobicContact CD2-CB 4.31Å; L362-F404 HydrophobicContact CD2-CG 4.49Å; F366-F404 HydrophobicContact CE1-CD2 4.39Å; F366-F404 AromaticContact CE1-CE2 3.89Å; F366-F404 HydrophobicContact CE1-CE2 3.89Å; F366-F404 HydrophobicContact CE1-CZ 4.12Å; F366-F404 AromaticContact CZ-CD2 3.96Å; F366-F404 HydrophobicContact CZ-CD2 3.96Å; F366-F404 AromaticContact CZ-CE2 3.73Å; F366-F404 HydrophobicContact CZ-CE2 3.73Å; F366-F404 HydrophobicContact CZ-CZ 4.41Å; R385-F404 HydrophobicContact CB-CB 4.43Å; R385-F404 PolarHBondContact NE-O 3.01Å; R385-F404 WeakPolarHBondContact O-CD2 3.49Å; R385-F404 PolarHBondContact O-N 3.01Å; C387-F404 HydrophobicContact CB-CE2 3.95Å; V402-F404 HydrophobicContact CB-CE2 4.31Å; V402-F404 HydrophobicContact CG1-CE1 4.48Å; V402-F404 HydrophobicContact CG1-CE2 3.89Å; V402-F404 HydrophobicContact CG1-CZ 3.84Å; F404-Y408 AromaticContact CD1-CD1 3.74Å; F404-Y408 HydrophobicContact CD1-CD1 3.74Å; F404-Y408 HydrophobicContact CD1-CD2 4.2Å; F404-Y408 AromaticContact CD1-CE1 3.68Å; F404-Y408 HydrophobicContact CD1-CE1 3.68Å; F404-Y408 HydrophobicContact CD1-CE2 4.19Å; F404-Y408 AromaticContact CD1-CG 3.99Å; F404-Y408 HydrophobicContact CD1-CG 3.99Å; F404-Y408 AromaticContact CD1-CZ 3.92Å; F404-Y408 HydrophobicContact CE1-CD1 4.47Å; F404-Y408 AromaticContact CE1-CE1 3.96Å; F404-Y408 HydrophobicContact CE1-CE1 3.96Å; F404-Y408 HydrophobicContact CE1-CE2 4.33Å; F404-Y408 AromaticContact CE1-CZ 3.88Å; F404-P414 HydrophobicContact CD1-CB 3.83Å; F404-P414 HydrophobicContact CD1-CG 4.28Å; F404-P414 HydrophobicContact CE1-CB 4.02Å; F404-P414 HydrophobicContact CE1-CG 4.12Å; F404-P414 HydrophobicContact CG-CB 4.3Å; F404-L451 HydrophobicContact CZ-CB 4.19Å; F404-L451 HydrophobicContact CZ-CD1 4.25Å; F404-L451 HydrophobicContact CZ-CD2 4.31Å; F404-L451 HydrophobicContact CZ-CG 4.48Å | ||
| 405 | P | 84.4 | Confident | 81.3 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | trans | -61.6 | 153.8 | 179.4 | 27.6 | -35.3 | 0 | 0 | 0 | 111 | R385 Q407 Y408 A412 | R385-P405 PolarHBondContact NH2-O 2.75Å; P405-Q407 PolarHBondContact O-N 2.87Å; P405-Y408 WeakPolarHBondContact O-CB 3.29Å; P405-Y408 PolarHBondContact O-N 2.94Å; P405-A412 HydrophobicContact CB-CB 4.4Å; P405-A412 HydrophobicContact CG-CB 3.76Å | ||
| 406 | V | 76.2 | Confident | 82.3 | Confident | 121 Ų | 121 | 47.2 Ų | 47.2 | 73% | 0.733 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32 | -176.4 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | R385 | R385-V406 PolarHBondContact NH2-O 2.9Š|
| 407 | Q | 74.9 | Confident | 82.9 | Confident | 137 Ų | 137 | 50.8 Ų | 50.8 | 64% | 0.64 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.1 | -178.2 | -64.7 | 142.5 | 9.4 | 0 | 0 | 114.3 | P405 N410 A412 | P405-Q407 PolarHBondContact O-N 2.87Å; Q407-N410 CarbonylContact O-C 3.6Å; Q407-N410 WeakPolarHBondContact O-CA 3.41Å; Q407-N410 WeakPolarHBondContact O-CB 3.32Å; Q407-N410 PolarHBondContact O-N 3.37Å; Q407-A412 HydrophobicContact CB-CB 3.72Å |
| 408 | Y | 75.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 136.8 | 175.3 | 174 | -89.6 | 0 | 0 | 0 | 110.8 | L362 E365 F404 P405 A412 V444 C450 | L362-Y408 HydrophobicContact CD1-CD1 3.52Å; L362-Y408 HydrophobicContact CD1-CE1 3.71Å; E365-Y408 PolarHBondContact OE1-OH 2.89Å; E365-Y408 VanDerWaalsContact OE2-CE1 3.23Å; E365-Y408 WeakPolarHBondContact OE2-CE1 3.35Å; E365-Y408 PolarHBondContact OE2-OH 2.86Å; F404-Y408 AromaticContact CD1-CD1 3.74Å; F404-Y408 HydrophobicContact CD1-CD1 3.74Å; F404-Y408 HydrophobicContact CD1-CD2 4.2Å; F404-Y408 AromaticContact CD1-CE1 3.68Å; F404-Y408 HydrophobicContact CD1-CE1 3.68Å; F404-Y408 HydrophobicContact CD1-CE2 4.19Å; F404-Y408 AromaticContact CD1-CG 3.99Å; F404-Y408 HydrophobicContact CD1-CG 3.99Å; F404-Y408 AromaticContact CD1-CZ 3.92Å; F404-Y408 HydrophobicContact CE1-CD1 4.47Å; F404-Y408 AromaticContact CE1-CE1 3.96Å; F404-Y408 HydrophobicContact CE1-CE1 3.96Å; F404-Y408 HydrophobicContact CE1-CE2 4.33Å; F404-Y408 AromaticContact CE1-CZ 3.88Å; P405-Y408 WeakPolarHBondContact O-CB 3.29Å; P405-Y408 PolarHBondContact O-N 2.94Å; Y408-A412 WeakPolarHBondContact CD2-O 3.26Å; Y408-V444 HydrophobicContact CD2-CG2 3.87Å; Y408-V444 HydrophobicContact CE2-CG2 3.7Å; Y408-C450 WeakPolarHBondContact CE2-SG 3.37Å; Y408-C450 PolarHBondContact OH-N 2.88Å; Y408-C450 VanDerWaalsContact OH-N 3.1Å; Y408-C450 PolarHBondContact OH-SG 3.03Å; Y408-C450 VanDerWaalsContact OH-SG 3.38Å |
| 409 | P | 61.4 | Low | 83.1 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.6 | 7 | 7.7 | 36.4 | -36.8 | 0 | 0 | 0 | 115.6 | N411 | P409-N411 PolarHBondContact O-N 2.87Š|
| 410 | N | 72.1 | Confident | 82.6 | Confident | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -75.8 | 89.1 | -178.3 | -69.9 | -25.2 | 0 | 0 | 0 | 111.8 | Q407 A412 | Q407-N410 CarbonylContact O-C 3.6Å; Q407-N410 WeakPolarHBondContact O-CA 3.41Å; Q407-N410 WeakPolarHBondContact O-CB 3.32Å; Q407-N410 PolarHBondContact O-N 3.37Å; N410-A412 PolarHBondContact O-N 3.14Å |
| 411 | N | 69.4 | Low | 81.4 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 61.6 | 6.5 | 170.9 | -126.9 | 14.4 | 0 | 0 | 0 | 116.5 | P409 | P409-N411 PolarHBondContact O-N 2.87Š|
| 412 | A | 78.9 | Confident | 81.1 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | trans | -115.2 | 120.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | P405 Q407 Y408 N410 | P405-A412 HydrophobicContact CB-CB 4.4Å; P405-A412 HydrophobicContact CG-CB 3.76Å; Q407-A412 HydrophobicContact CB-CB 3.72Å; Y408-A412 WeakPolarHBondContact CD2-O 3.26Å; N410-A412 PolarHBondContact O-N 3.14Å | ||
| 413 | A | 83.9 | Confident | 80.7 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 149.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M437 L441 V444 | A413-M437 HydrophobicContact CB-CE 4.4Å; A413-L441 HydrophobicContact CB-CD2 3.73Å; A413-L441 HydrophobicContact CB-CG 4.13Å; A413-V444 HydrophobicContact CB-CG2 4.36Å |
| 414 | P | 87.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 153.8 | 173.6 | 30 | -36.5 | 0 | 0 | 0 | 112.1 | V402 N403 F404 F416 C450 | V402-P414 HydrophobicContact CG1-CB 3.8Å; V402-P414 HydrophobicContact CG1-CG 4.3Å; N403-P414 CarbonylContact O-C 3.53Å; N403-P414 WeakPolarHBondContact O-CA 3.48Å; N403-P414 VanDerWaalsContact O-CB 3.3Å; N403-P414 WeakPolarHBondContact O-CB 3.42Å; F404-P414 HydrophobicContact CD1-CB 3.83Å; F404-P414 HydrophobicContact CD1-CG 4.28Å; F404-P414 HydrophobicContact CE1-CB 4.02Å; F404-P414 HydrophobicContact CE1-CG 4.12Å; F404-P414 HydrophobicContact CG-CB 4.3Å; P414-F416 HydrophobicContact CG-CZ 4.12Å; P414-C450 VanDerWaalsContact CG-SG 3.56Å |
| 415 | S | 88.3 | Confident | 80.5 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 152.4 | 172.6 | 62 | 0 | 0 | 0 | 0 | 111.5 | V402 N403 | V402-S415 WeakPolarHBondContact CA-O 3.38Å; N403-S415 PolarHBondContact N-O 2.8Å; N403-S415 PolarHBondContact O-N 2.87Å |
| 416 | F | 92.1 | Very high | 80.3 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.7 | -172.8 | -61.1 | -78.7 | 0 | 0 | 0 | 110.3 | L400 V402 P414 Q433 L436 M437 C454 | L400-F416 HydrophobicContact CD1-CB 4.26Å; L400-F416 HydrophobicContact CD2-CD1 4.18Å; V402-F416 HydrophobicContact CB-CD1 4.44Å; V402-F416 HydrophobicContact CB-CE1 4.47Å; V402-F416 HydrophobicContact CG1-CD1 4.06Å; V402-F416 HydrophobicContact CG1-CE1 3.73Å; V402-F416 HydrophobicContact CG1-CZ 4.48Å; V402-F416 HydrophobicContact CG2-CD1 3.88Å; V402-F416 HydrophobicContact CG2-CE1 3.99Å; P414-F416 HydrophobicContact CG-CZ 4.12Å; F416-Q433 PolarHBondContact O-NE2 2.75Å; F416-L436 HydrophobicContact CD1-CB 4.18Å; F416-L436 HydrophobicContact CD1-CD1 3.99Å; F416-L436 HydrophobicContact CD2-CB 3.96Å; F416-L436 HydrophobicContact CE1-CB 4.09Å; F416-L436 HydrophobicContact CE1-CD1 4.3Å; F416-L436 HydrophobicContact CE2-CB 3.85Å; F416-L436 HydrophobicContact CG-CB 4.12Å; F416-L436 HydrophobicContact CG-CD1 4.38Å; F416-L436 HydrophobicContact CZ-CB 3.93Å; F416-M437 HydrophobicContact CD2-SD 4.14Å; F416-M437 HydrophobicContact CE2-SD 4.25Å; F416-C454 HydrophobicContact CE1-CB 4.25Å; F416-C454 HydrophobicContact CZ-CB 4.27Å |
| 417 | Q | 89.5 | Confident | 80.5 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 56% | 0.556 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 124.4 | -177.5 | -176.2 | 175.1 | 2.6 | 0 | 0 | 111.7 | V401 | V401-Q417 PolarHBondContact N-O 2.87Å; V401-Q417 PolarHBondContact O-N 3.26Å |
| 418 | F | 88.6 | Confident | 80.9 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.1 | 173.6 | -68.3 | -75.4 | 0 | 0 | 0 | 111.2 | V398 L400 T422 I424 K429 I432 Q433 | V398-F418 HydrophobicContact CG1-CD1 4.09Å; V398-F418 HydrophobicContact CG1-CE1 3.77Å; L400-F418 HydrophobicContact CB-CD1 4.39Å; L400-F418 HydrophobicContact CB-CE1 4.46Å; L400-F418 HydrophobicContact CD1-CD1 3.77Å; L400-F418 HydrophobicContact CD1-CD2 4.35Å; L400-F418 HydrophobicContact CD1-CE1 3.76Å; L400-F418 HydrophobicContact CD1-CE2 4.33Å; L400-F418 HydrophobicContact CD1-CG 4.09Å; L400-F418 HydrophobicContact CD1-CZ 4.05Å; F418-T422 HydrophobicContact CB-CG2 4.17Å; F418-T422 HydrophobicContact CD1-CG2 3.96Å; F418-I424 HydrophobicContact CD1-CD1 4.35Å; F418-I424 HydrophobicContact CE1-CD1 3.84Å; F418-I424 HydrophobicContact CZ-CD1 4.18Å; F418-K429 HydrophobicContact CD2-CB 4Å; F418-K429 HydrophobicContact CD2-CD 4.4Å; F418-K429 HydrophobicContact CD2-CG 4.01Å; F418-K429 HydrophobicContact CE2-CB 3.83Å; F418-K429 HydrophobicContact CE2-CG 4.09Å; F418-K429 WeakPolarHBondContact CE2-O 3.38Å; F418-K429 HydrophobicContact CG-CD 4.47Å; F418-K429 HydrophobicContact CG-CG 4.31Å; F418-K429 HydrophobicContact CZ-CB 4.47Å; F418-K429 HydrophobicContact CZ-CG 4.46Å; F418-I432 HydrophobicContact CZ-CB 4.1Å; F418-I432 HydrophobicContact CZ-CG2 3.8Å; F418-Q433 HydrophobicContact CE2-CB 4.28Å |
| 419 | V | 86.4 | Confident | 81.4 | Confident | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.376 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 159.4 | 180 | -177 | 0 | 0 | 0 | 0 | 109.8 | H399 V401 T422 | H399-V419 PolarHBondContact O-N 2.95Å; V401-V419 HydrophobicContact CB-CG2 4.38Å; V401-V419 HydrophobicContact CG2-CG2 3.56Å; V419-T422 WeakPolarHBondContact O-CB 3.43Å; V419-T422 WeakPolarHBondContact O-CG2 3.34Å; V419-T422 PolarHBondContact O-N 3Å; V419-T422 PolarHBondContact O-OG1 3.06Å |
| 420 | A | 75.4 | Confident | 82.5 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -74.1 | 142.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 421 | P | 65.9 | Low | 83.2 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | S | Bend | cis | -93.1 | 97 | 3.7 | 34.4 | -33.1 | 0 | 0 | 0 | 113.6 | H399 | H399-P421 PolarHBondContact CD2-O 3.03Š|
| 422 | T | 84.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | trans | -99.6 | 105.3 | 172.1 | 34.5 | 0 | 0 | 0 | 0 | 111.3 | R397 V398 H399 F418 V419 K429 | R397-T422 CarbonylContact O-C 3.58Å; R397-T422 WeakPolarHBondContact O-CA 3.29Å; V398-T422 HydrophobicContact CG1-CG2 4.38Å; H399-T422 HydrophobicContact CB-CG2 4.34Å; H399-T422 VanDerWaalsContact O-CG2 3.23Å; H399-T422 WeakPolarHBondContact O-CG2 3.23Å; F418-T422 HydrophobicContact CB-CG2 4.17Å; F418-T422 HydrophobicContact CD1-CG2 3.96Å; V419-T422 WeakPolarHBondContact O-CB 3.43Å; V419-T422 WeakPolarHBondContact O-CG2 3.34Å; V419-T422 PolarHBondContact O-N 3Å; V419-T422 PolarHBondContact O-OG1 3.06Å; T422-K429 PolarHBondContact O-NZ 2.97Å; T422-K429 PolarHBondContact OG1-NZ 2.69Å | ||
| 423 | T | 83 | Confident | 84.5 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | trans | -87.5 | 2.3 | -175.6 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | Q396 R397 | Q396-T423 WeakPolarHBondContact CA-OG1 3.08Å; R397-T423 PolarHBondContact N-OG1 3.02Å; R397-T423 PolarHBondContact O-N 3.47Å | ||
| 424 | I | 85.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -74.2 | 145.4 | 178.2 | 54 | 165.8 | 0 | 0 | 0 | 113.6 | Q396 V398 F418 M428 K429 I432 L462 | Q396-I424 HydrophobicContact CB-CG2 4.14Å; V398-I424 HydrophobicContact CG1-CD1 4.33Å; V398-I424 HydrophobicContact CG2-CD1 3.95Å; V398-I424 HydrophobicContact CG2-CG1 4.16Å; V398-I424 HydrophobicContact CG2-CG2 3.56Å; F418-I424 HydrophobicContact CD1-CD1 4.35Å; F418-I424 HydrophobicContact CE1-CD1 3.84Å; F418-I424 HydrophobicContact CZ-CD1 4.18Å; I424-M428 HydrophobicContact CB-SD 3.89Å; I424-M428 HydrophobicContact CG2-SD 3.76Å; I424-K429 HydrophobicContact CD1-CG 3.62Å; I424-K429 HydrophobicContact CG1-CD 4.35Å; I424-K429 HydrophobicContact CG1-CG 3.72Å; I424-K429 VanDerWaalsContact O-CE 3.27Å; I424-K429 WeakPolarHBondContact O-CE 3.12Å; I424-I432 HydrophobicContact CD1-CD1 4.06Å; I424-L462 HydrophobicContact CG2-CD2 4.17Å |
| 425 | P | 86.1 | Confident | 84.7 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | trans | -60 | 154.4 | 178.7 | -24.9 | 34.6 | 0 | 0 | 0 | 114.5 | A427 M428 K429 | P425-A427 PolarHBondContact O-N 2.88Å; P425-M428 HydrophobicContact CB-CB 4.45Å; P425-M428 WeakPolarHBondContact O-CB 3.48Å; P425-M428 PolarHBondContact O-N 3.01Å; P425-M428 VanDerWaalsContact O-N 3.08Å; P425-K429 PolarHBondContact O-N 3.45Å | ||
| 426 | S | 81.3 | Confident | 84.9 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 67% | 0.671 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.6 | -40 | -180 | 55 | 0 | 0 | 0 | 0 | 113.4 | M428 K429 T430 | S426-M428 VanDerWaalsContact C-N 3.31Å; S426-M428 PolarHBondContact O-N 3.16Å; S426-K429 PolarHBondContact O-N 3.15Å; S426-T430 PolarHBondContact O-N 3.37Å; S426-T430 VanDerWaalsContact O-N 3.09Å; S426-T430 PolarHBondContact O-OG1 3.28Å |
| 427 | A | 80.4 | Confident | 84.7 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 61% | 0.612 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.9 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P425 T430 K431 | P425-A427 PolarHBondContact O-N 2.88Å; A427-T430 PolarHBondContact O-N 2.81Å; A427-K431 WeakPolarHBondContact O-CB 3.35Å; A427-K431 PolarHBondContact O-N 2.78Å |
| 428 | M | 83.5 | Confident | 84.5 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 177.4 | -168.9 | -174.6 | -72.4 | 0 | 0 | 111.4 | I424 P425 S426 T430 K431 I432 L462 D465 | I424-M428 HydrophobicContact CB-SD 3.89Å; I424-M428 HydrophobicContact CG2-SD 3.76Å; P425-M428 HydrophobicContact CB-CB 4.45Å; P425-M428 WeakPolarHBondContact O-CB 3.48Å; P425-M428 PolarHBondContact O-N 3.01Å; P425-M428 VanDerWaalsContact O-N 3.08Å; S426-M428 VanDerWaalsContact C-N 3.31Å; S426-M428 PolarHBondContact O-N 3.16Å; M428-T430 VanDerWaalsContact C-N 3.34Å; M428-T430 PolarHBondContact O-N 3.02Å; M428-K431 PolarHBondContact O-N 2.83Å; M428-I432 HydrophobicContact CG-CD1 3.84Å; M428-I432 HydrophobicContact CG-CG1 4.43Å; M428-I432 WeakPolarHBondContact O-CB 3.35Å; M428-I432 WeakPolarHBondContact O-CG1 3.28Å; M428-I432 PolarHBondContact O-N 2.96Å; M428-I432 HydrophobicContact SD-CD1 4.44Å; M428-L462 HydrophobicContact SD-CD2 3.96Å; M428-D465 HydrophobicContact CE-CB 3.76Å |
| 429 | K | 85.8 | Confident | 84.4 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.7 | -49.7 | 172.5 | -71.9 | 178.5 | 175.3 | 178.2 | 0 | 111.1 | F418 T422 I424 P425 S426 I432 Q433 | F418-K429 HydrophobicContact CD2-CB 4Å; F418-K429 HydrophobicContact CD2-CD 4.4Å; F418-K429 HydrophobicContact CD2-CG 4.01Å; F418-K429 HydrophobicContact CE2-CB 3.83Å; F418-K429 HydrophobicContact CE2-CG 4.09Å; F418-K429 WeakPolarHBondContact CE2-O 3.38Å; F418-K429 HydrophobicContact CG-CD 4.47Å; F418-K429 HydrophobicContact CG-CG 4.31Å; F418-K429 HydrophobicContact CZ-CB 4.47Å; F418-K429 HydrophobicContact CZ-CG 4.46Å; T422-K429 PolarHBondContact O-NZ 2.97Å; T422-K429 PolarHBondContact OG1-NZ 2.69Å; I424-K429 HydrophobicContact CD1-CG 3.62Å; I424-K429 HydrophobicContact CG1-CD 4.35Å; I424-K429 HydrophobicContact CG1-CG 3.72Å; I424-K429 VanDerWaalsContact O-CE 3.27Å; I424-K429 WeakPolarHBondContact O-CE 3.12Å; P425-K429 PolarHBondContact O-N 3.45Å; S426-K429 PolarHBondContact O-N 3.15Å; K429-I432 PolarHBondContact O-N 3.07Å; K429-Q433 VanDerWaalsContact O-CB 3.3Å; K429-Q433 WeakPolarHBondContact O-CB 3.38Å; K429-Q433 PolarHBondContact O-N 3Å |
| 430 | T | 84.6 | Confident | 84.5 | Confident | 95 Ų | 95 | 58.3 Ų | 58.3 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 112.9 | S426 A427 M428 K434 | S426-T430 PolarHBondContact O-N 3.37Å; S426-T430 VanDerWaalsContact O-N 3.09Å; S426-T430 PolarHBondContact O-OG1 3.28Å; A427-T430 PolarHBondContact O-N 2.81Å; M428-T430 VanDerWaalsContact C-N 3.34Å; M428-T430 PolarHBondContact O-N 3.02Å; T430-K434 WeakPolarHBondContact O-CB 3.49Å; T430-K434 PolarHBondContact O-N 2.94Å; T430-K434 VanDerWaalsContact O-N 3.09Å |
| 431 | K | 85.6 | Confident | 85 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 39% | 0.391 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 177.1 | 178.1 | 179.7 | 168.2 | -171.4 | 0 | 111.3 | A427 M428 V435 D465 | A427-K431 WeakPolarHBondContact O-CB 3.35Å; A427-K431 PolarHBondContact O-N 2.78Å; M428-K431 PolarHBondContact O-N 2.83Å; K431-V435 WeakPolarHBondContact O-CG2 3.07Å; K431-V435 PolarHBondContact O-N 3.18Å; K431-D465 IonicContact NZ-OD1 3.94Å; K431-D465 PolarHBondContact NZ-OD1 3.14Å; K431-D465 IonicContact NZ-OD2 3.92Å; K431-D465 PolarHBondContact NZ-OD2 3.23Å |
| 432 | I | 88.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -51.5 | 177.4 | -68.5 | 169.5 | 0 | 0 | 0 | 110.6 | F418 I424 M428 K429 K434 V435 L436 L458 C461 L462 | F418-I432 HydrophobicContact CZ-CB 4.1Å; F418-I432 HydrophobicContact CZ-CG2 3.8Å; I424-I432 HydrophobicContact CD1-CD1 4.06Å; M428-I432 HydrophobicContact CG-CD1 3.84Å; M428-I432 HydrophobicContact CG-CG1 4.43Å; M428-I432 WeakPolarHBondContact O-CB 3.35Å; M428-I432 WeakPolarHBondContact O-CG1 3.28Å; M428-I432 PolarHBondContact O-N 2.96Å; M428-I432 HydrophobicContact SD-CD1 4.44Å; K429-I432 PolarHBondContact O-N 3.07Å; I432-K434 VanDerWaalsContact C-N 3.28Å; I432-K434 PolarHBondContact O-N 2.83Å; I432-V435 PolarHBondContact O-N 3.47Å; I432-V435 VanDerWaalsContact O-N 3.08Å; I432-L436 HydrophobicContact CG2-CD1 3.8Å; I432-L436 HydrophobicContact CG2-CG 4.08Å; I432-L436 WeakPolarHBondContact O-CG 3.41Å; I432-L436 PolarHBondContact O-N 3.34Å; I432-L458 HydrophobicContact CD1-CD1 4.18Å; I432-L458 HydrophobicContact CG2-CD1 3.43Å; I432-L458 VanDerWaalsContact CG2-CD1 3.43Å; I432-C461 HydrophobicContact CG1-CB 3.86Å; I432-L462 HydrophobicContact CD1-CD2 3.74Å; I432-L462 HydrophobicContact CD1-CG 4.24Å |
| 433 | Q | 89.1 | Confident | 85.8 | Confident | 89 Ų | 89 | 62 Ų | 62 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57 | -41.3 | -176.7 | -169.3 | 177.4 | 12.9 | 0 | 0 | 112.3 | F416 F418 K429 M437 | F416-Q433 PolarHBondContact O-NE2 2.75Å; F418-Q433 HydrophobicContact CE2-CB 4.28Å; K429-Q433 VanDerWaalsContact O-CB 3.3Å; K429-Q433 WeakPolarHBondContact O-CB 3.38Å; K429-Q433 PolarHBondContact O-N 3Å; Q433-M437 WeakPolarHBondContact O-CB 3.48Å; Q433-M437 PolarHBondContact O-N 2.99Å |
| 434 | K | 87.8 | Confident | 85.8 | Confident | 140 Ų | 140 | 58.2 Ų | 58.2 | 61% | 0.609 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.8 | -48.6 | 175.3 | -177.9 | 174.8 | 176.4 | 177.2 | 0 | 112.1 | T430 I432 L436 M437 D438 | T430-K434 WeakPolarHBondContact O-CB 3.49Å; T430-K434 PolarHBondContact O-N 2.94Å; T430-K434 VanDerWaalsContact O-N 3.09Å; I432-K434 VanDerWaalsContact C-N 3.28Å; I432-K434 PolarHBondContact O-N 2.83Å; K434-L436 VanDerWaalsContact C-N 3.34Å; K434-L436 PolarHBondContact O-N 2.63Å; K434-M437 PolarHBondContact O-N 2.78Å; K434-D438 PolarHBondContact O-N 3.06Å |
| 435 | V | 88.3 | Confident | 85.5 | Confident | 40 Ų | 40 | 66 Ų | 66 | 24% | 0.242 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | -179.1 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | K431 I432 T439 Q457 | K431-V435 WeakPolarHBondContact O-CG2 3.07Å; K431-V435 PolarHBondContact O-N 3.18Å; I432-V435 PolarHBondContact O-N 3.47Å; I432-V435 VanDerWaalsContact O-N 3.08Å; V435-T439 WeakPolarHBondContact O-CB 3.23Å; V435-T439 PolarHBondContact O-N 3.45Å; V435-T439 PolarHBondContact O-OG1 2.96Å; V435-Q457 HydrophobicContact CG1-CG 3.27Å |
| 436 | L | 90.6 | Very high | 85 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 175.5 | -62.9 | -176 | 0 | 0 | 0 | 112.1 | L400 F416 I432 K434 T439 S440 C454 Q457 L458 | L400-L436 HydrophobicContact CD2-CD1 3.52Å; F416-L436 HydrophobicContact CD1-CB 4.18Å; F416-L436 HydrophobicContact CD1-CD1 3.99Å; F416-L436 HydrophobicContact CD2-CB 3.96Å; F416-L436 HydrophobicContact CE1-CB 4.09Å; F416-L436 HydrophobicContact CE1-CD1 4.3Å; F416-L436 HydrophobicContact CE2-CB 3.85Å; F416-L436 HydrophobicContact CG-CB 4.12Å; F416-L436 HydrophobicContact CG-CD1 4.38Å; F416-L436 HydrophobicContact CZ-CB 3.93Å; I432-L436 HydrophobicContact CG2-CD1 3.8Å; I432-L436 HydrophobicContact CG2-CG 4.08Å; I432-L436 WeakPolarHBondContact O-CG 3.41Å; I432-L436 PolarHBondContact O-N 3.34Å; K434-L436 VanDerWaalsContact C-N 3.34Å; K434-L436 PolarHBondContact O-N 2.63Å; L436-T439 PolarHBondContact O-N 2.86Å; L436-S440 WeakPolarHBondContact O-CB 3.36Å; L436-S440 PolarHBondContact O-N 2.76Å; L436-S440 PolarHBondContact O-OG 3.25Å; L436-C454 HydrophobicContact CD2-CB 4.01Å; L436-C454 WeakPolarHBondContact CD2-O 3.22Å; L436-Q457 HydrophobicContact CD2-CB 4.32Å; L436-L458 HydrophobicContact CD2-CB 4.19Å |
| 437 | M | 88.3 | Confident | 84.7 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 177.6 | -161.2 | 68.7 | -172.9 | 0 | 0 | 112.6 | A413 F416 Q433 K434 T439 S440 L441 | A413-M437 HydrophobicContact CB-CE 4.4Å; F416-M437 HydrophobicContact CD2-SD 4.14Å; F416-M437 HydrophobicContact CE2-SD 4.25Å; Q433-M437 WeakPolarHBondContact O-CB 3.48Å; Q433-M437 PolarHBondContact O-N 2.99Å; K434-M437 PolarHBondContact O-N 2.78Å; M437-T439 VanDerWaalsContact C-N 3.32Å; M437-T439 PolarHBondContact O-N 2.68Å; M437-S440 PolarHBondContact O-N 2.84Å; M437-S440 PolarHBondContact O-OG 2.94Å; M437-L441 HydrophobicContact CE-CD1 4.33Å; M437-L441 HydrophobicContact CE-CG 4.4Å; M437-L441 HydrophobicContact CG-CD1 4.08Å; M437-L441 WeakPolarHBondContact O-CB 3.48Å; M437-L441 WeakPolarHBondContact O-CD1 3.47Å; M437-L441 VanDerWaalsContact O-CG 3.28Å; M437-L441 WeakPolarHBondContact O-CG 3.22Å; M437-L441 PolarHBondContact O-N 3.42Å |
| 438 | D | 85.8 | Confident | 84.4 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.8 | -74.3 | -26.7 | 0 | 0 | 0 | 110.9 | K434 Q442 | K434-D438 PolarHBondContact O-N 3.06Å; D438-Q442 WeakPolarHBondContact O-CB 3.39Å; D438-Q442 PolarHBondContact O-N 2.78Å |
| 439 | T | 87.6 | Confident | 84.2 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 112 | V435 L436 M437 Q442 K443 P453 | V435-T439 WeakPolarHBondContact O-CB 3.23Å; V435-T439 PolarHBondContact O-N 3.45Å; V435-T439 PolarHBondContact O-OG1 2.96Å; L436-T439 PolarHBondContact O-N 2.86Å; M437-T439 VanDerWaalsContact C-N 3.32Å; M437-T439 PolarHBondContact O-N 2.68Å; T439-Q442 PolarHBondContact O-N 2.82Å; T439-K443 WeakPolarHBondContact O-CG 3.42Å; T439-K443 PolarHBondContact O-N 2.78Å; T439-K443 VanDerWaalsContact O-N 3.12Å; T439-P453 HydrophobicContact CG2-CB 4.03Å |
| 440 | S | 88.4 | Confident | 84 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.1 | -44 | -179 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | L436 M437 Q442 K443 V444 | L436-S440 WeakPolarHBondContact O-CB 3.36Å; L436-S440 PolarHBondContact O-N 2.76Å; L436-S440 PolarHBondContact O-OG 3.25Å; M437-S440 PolarHBondContact O-N 2.84Å; M437-S440 PolarHBondContact O-OG 2.94Å; S440-Q442 PolarHBondContact O-N 2.98Å; S440-K443 PolarHBondContact O-N 3.36Å; S440-V444 WeakPolarHBondContact O-CB 3.47Å; S440-V444 WeakPolarHBondContact O-CG2 3.23Å; S440-V444 PolarHBondContact O-N 2.85Å |
| 441 | L | 86 | Confident | 83.9 | Confident | 85 Ų | 85 | 67 Ų | 67 | 45% | 0.445 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.9 | -73.5 | 167.8 | 0 | 0 | 0 | 112.2 | A413 M437 K443 K445 | A413-L441 HydrophobicContact CB-CD2 3.73Å; A413-L441 HydrophobicContact CB-CG 4.13Å; M437-L441 HydrophobicContact CE-CD1 4.33Å; M437-L441 HydrophobicContact CE-CG 4.4Å; M437-L441 HydrophobicContact CG-CD1 4.08Å; M437-L441 WeakPolarHBondContact O-CB 3.48Å; M437-L441 WeakPolarHBondContact O-CD1 3.47Å; M437-L441 VanDerWaalsContact O-CG 3.28Å; M437-L441 WeakPolarHBondContact O-CG 3.22Å; M437-L441 PolarHBondContact O-N 3.42Å; L441-K443 VanDerWaalsContact C-N 3.33Å; L441-K443 PolarHBondContact O-N 3.27Å; L441-K445 WeakPolarHBondContact O-CB 3.22Å; L441-K445 PolarHBondContact O-N 3.49Å |
| 442 | Q | 84.4 | Confident | 83.8 | Confident | 115 Ų | 115 | 65.3 Ų | 65.3 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 177.3 | -171.7 | -179.7 | 15.4 | 0 | 0 | 112.5 | D438 T439 S440 | D438-Q442 WeakPolarHBondContact O-CB 3.39Å; D438-Q442 PolarHBondContact O-N 2.78Å; T439-Q442 PolarHBondContact O-N 2.82Å; S440-Q442 PolarHBondContact O-N 2.98Å |
| 443 | K | 82.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.6 | -47.3 | 178.5 | -78.6 | -74.2 | -178.6 | 166.6 | 0 | 112.5 | T439 S440 L441 K445 R446 N447 Q448 C450 P453 | T439-K443 WeakPolarHBondContact O-CG 3.42Å; T439-K443 PolarHBondContact O-N 2.78Å; T439-K443 VanDerWaalsContact O-N 3.12Å; S440-K443 PolarHBondContact O-N 3.36Å; L441-K443 VanDerWaalsContact C-N 3.33Å; L441-K443 PolarHBondContact O-N 3.27Å; K443-K445 VanDerWaalsContact C-N 3.34Å; K443-K445 PolarHBondContact O-N 3.39Å; K443-R446 CarbonylContact O-C 3.18Å; K443-R446 WeakPolarHBondContact O-CA 3.24Å; K443-R446 PolarHBondContact O-N 2.89Å; K443-N447 PolarHBondContact O-N 2.88Å; K443-Q448 CarbonylContact C-O 3.58Å; K443-Q448 HydrophobicContact CD-CB 3.86Å; K443-Q448 PolarHBondContact O-N 3.15Å; K443-C450 HydrophobicContact CB-CB 3.7Å; K443-C450 HydrophobicContact CG-CB 4.3Å; K443-P453 HydrophobicContact CD-CG 4.29Å; K443-P453 HydrophobicContact CG-CB 4.5Å; K443-P453 HydrophobicContact CG-CG 4.4Å |
| 444 | V | 83.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -40 | 176.8 | 165 | 0 | 0 | 0 | 0 | 111.7 | Y408 A413 S440 R446 N447 | Y408-V444 HydrophobicContact CD2-CG2 3.87Å; Y408-V444 HydrophobicContact CE2-CG2 3.7Å; A413-V444 HydrophobicContact CB-CG2 4.36Å; S440-V444 WeakPolarHBondContact O-CB 3.47Å; S440-V444 WeakPolarHBondContact O-CG2 3.23Å; S440-V444 PolarHBondContact O-N 2.85Å; V444-R446 PolarHBondContact O-N 2.96Å; V444-R446 VanDerWaalsContact O-N 3.07Å; V444-N447 PolarHBondContact O-N 3.26Å; V444-N447 PolarHBondContact O-OD1 2.85Å |
| 445 | K | 78.9 | Confident | 83.1 | Confident | 170 Ų | 170 | 56.1 Ų | 56.1 | 74% | 0.739 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.7 | 173.3 | -175.6 | 170 | -177.8 | 175.8 | 0 | 114.1 | L441 K443 | L441-K445 WeakPolarHBondContact O-CB 3.22Å; L441-K445 PolarHBondContact O-N 3.49Å; K443-K445 VanDerWaalsContact C-N 3.34Å; K443-K445 PolarHBondContact O-N 3.39Å |
| 446 | R | 74.7 | Confident | 83 | Confident | 167 Ų | 167 | 60.4 Ų | 60.4 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 9.5 | 176.1 | -68.1 | 178.9 | 171.3 | -176.7 | -2.6 | 112.7 | K443 V444 Q448 | K443-R446 CarbonylContact O-C 3.18Å; K443-R446 WeakPolarHBondContact O-CA 3.24Å; K443-R446 PolarHBondContact O-N 2.89Å; V444-R446 PolarHBondContact O-N 2.96Å; V444-R446 VanDerWaalsContact O-N 3.07Å; R446-Q448 HydrophobicContact CB-CG 4.16Å; R446-Q448 PolarHBondContact O-N 2.91Å |
| 447 | N | 74.3 | Confident | 82.7 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 61% | 0.61 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 42.2 | -171.3 | -61.7 | -8.3 | 0 | 0 | 0 | 112.3 | K443 V444 | K443-N447 PolarHBondContact O-N 2.88Å; V444-N447 PolarHBondContact O-N 3.26Å; V444-N447 PolarHBondContact O-OD1 2.85Å |
| 448 | Q | 74.7 | Confident | 82.6 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | trans | -113.9 | 147.9 | 177.1 | -66.8 | -174.2 | -10.4 | 0 | 0 | 111.3 | K443 R446 | K443-Q448 CarbonylContact C-O 3.58Å; K443-Q448 HydrophobicContact CD-CB 3.86Å; K443-Q448 PolarHBondContact O-N 3.15Å; R446-Q448 HydrophobicContact CB-CG 4.16Å; R446-Q448 PolarHBondContact O-N 2.91Å | ||
| 449 | N | 79.3 | Confident | 82.5 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | trans | -56 | 146.3 | 168 | 57.9 | 0.9 | 0 | 0 | 0 | 111.8 | E365 | E365-N449 HydrophobicContact CG-CB 4.15Å; E365-N449 WeakPolarHBondContact OE1-CB 3.37Å | ||
| 450 | C | 81.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -125.9 | -15.2 | -171.2 | 74 | 0 | 0 | 0 | 0 | 115.3 | Y408 P414 K443 P453 C454 | Y408-C450 WeakPolarHBondContact CE2-SG 3.37Å; Y408-C450 PolarHBondContact OH-N 2.88Å; Y408-C450 VanDerWaalsContact OH-N 3.1Å; Y408-C450 PolarHBondContact OH-SG 3.03Å; Y408-C450 VanDerWaalsContact OH-SG 3.38Å; P414-C450 VanDerWaalsContact CG-SG 3.56Å; K443-C450 HydrophobicContact CB-CB 3.7Å; K443-C450 HydrophobicContact CG-CB 4.3Å; C450-P453 WeakPolarHBondContact O-CD 3.38Å; C450-C454 WeakPolarHBondContact O-CB 3.09Å; C450-C454 PolarHBondContact O-N 2.86Å; C450-C454 PolarHBondContact O-SG 2.73Å | ||
| 451 | L | 83 | Confident | 82.1 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -56.3 | -175.4 | 177.8 | 55.1 | 0 | 0 | 0 | 112.5 | F366 V369 M380 F404 C454 V455 | F366-L451 HydrophobicContact CD1-CD2 4.17Å; F366-L451 HydrophobicContact CE1-CD2 3.97Å; V369-L451 HydrophobicContact CG1-CD2 4.44Å; M380-L451 HydrophobicContact CE-CD2 4.18Å; M380-L451 HydrophobicContact SD-CD2 4.17Å; F404-L451 HydrophobicContact CZ-CB 4.19Å; F404-L451 HydrophobicContact CZ-CD1 4.25Å; F404-L451 HydrophobicContact CZ-CD2 4.31Å; F404-L451 HydrophobicContact CZ-CG 4.48Å; L451-C454 PolarHBondContact O-N 3.07Å; L451-C454 VanDerWaalsContact O-N 3.14Å; L451-V455 HydrophobicContact CD1-CG2 4.04Å; L451-V455 WeakPolarHBondContact O-CG2 3.38Å; L451-V455 PolarHBondContact O-N 3.33Å |
| 452 | E | 82.2 | Confident | 81.8 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 179.4 | 169.7 | -167.4 | -174 | 0 | 0 | 113.2 | V369 L371 C454 V455 R456 | V369-E452 HydrophobicContact CG1-CB 4.45Å; L371-E452 HydrophobicContact CD2-CB 4.22Å; L371-E452 HydrophobicContact CD2-CG 4.01Å; E452-C454 VanDerWaalsContact C-N 3.32Å; E452-C454 PolarHBondContact O-N 3.2Å; E452-V455 PolarHBondContact O-N 2.83Å; E452-R456 PolarHBondContact O-N 2.86Å; E452-R456 VanDerWaalsContact O-N 3.07Å; E452-R456 IonicContact OE1-CZ 2.74Å; E452-R456 IonicContact OE1-NH1 3.56Å; E452-R456 PolarHBondContact OE1-NH1 2.84Å; E452-R456 IonicContact OE1-NH2 3.33Å; E452-R456 PolarHBondContact OE1-NH2 2.86Å |
| 453 | P | 82.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.7 | -43.2 | 170.3 | -28.9 | 33.9 | 0 | 0 | 0 | 114 | T439 K443 C450 Q457 | T439-P453 HydrophobicContact CG2-CB 4.03Å; K443-P453 HydrophobicContact CD-CG 4.29Å; K443-P453 HydrophobicContact CG-CB 4.5Å; K443-P453 HydrophobicContact CG-CG 4.4Å; C450-P453 WeakPolarHBondContact O-CD 3.38Å; P453-Q457 WeakPolarHBondContact O-CB 3.46Å; P453-Q457 PolarHBondContact O-N 3.38Å |
| 454 | C | 85.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 179.5 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | F416 L436 C450 L451 E452 R456 Q457 L458 | F416-C454 HydrophobicContact CE1-CB 4.25Å; F416-C454 HydrophobicContact CZ-CB 4.27Å; L436-C454 HydrophobicContact CD2-CB 4.01Å; L436-C454 WeakPolarHBondContact CD2-O 3.22Å; C450-C454 WeakPolarHBondContact O-CB 3.09Å; C450-C454 PolarHBondContact O-N 2.86Å; C450-C454 PolarHBondContact O-SG 2.73Å; L451-C454 PolarHBondContact O-N 3.07Å; L451-C454 VanDerWaalsContact O-N 3.14Å; E452-C454 VanDerWaalsContact C-N 3.32Å; E452-C454 PolarHBondContact O-N 3.2Å; C454-R456 PolarHBondContact O-N 3.34Å; C454-Q457 PolarHBondContact O-N 3.27Å; C454-L458 PolarHBondContact O-N 3.45Å |
| 455 | V | 84.3 | Confident | 80.4 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.3 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | L371 I373 V376 V378 V389 L451 E452 Q457 L458 V459 | L371-V455 HydrophobicContact CD1-CB 4.28Å; L371-V455 HydrophobicContact CD1-CG1 4.36Å; L371-V455 HydrophobicContact CD1-CG2 4.08Å; L371-V455 HydrophobicContact CD2-CB 4.27Å; L371-V455 HydrophobicContact CD2-CG1 4.22Å; I373-V455 HydrophobicContact CD1-CG1 3.95Å; V376-V455 HydrophobicContact CG1-CG1 4.03Å; V378-V455 HydrophobicContact CG2-CG1 4.49Å; V389-V455 HydrophobicContact CG1-CG1 4.42Å; V389-V455 HydrophobicContact CG1-CG2 4.38Å; V389-V455 HydrophobicContact CG2-CG2 3.9Å; L451-V455 HydrophobicContact CD1-CG2 4.04Å; L451-V455 WeakPolarHBondContact O-CG2 3.38Å; L451-V455 PolarHBondContact O-N 3.33Å; E452-V455 PolarHBondContact O-N 2.83Å; V455-Q457 VanDerWaalsContact C-N 3.33Å; V455-Q457 PolarHBondContact O-N 3.2Å; V455-L458 WeakPolarHBondContact O-CB 3.41Å; V455-L458 PolarHBondContact O-N 3.14Å; V455-V459 PolarHBondContact O-N 3.21Å |
| 456 | R | 84.4 | Confident | 79.5 | Confident | 131 Ų | 131 | 51.9 Ų | 51.9 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.3 | -71.2 | -163 | -176.7 | 106.6 | 9.3 | 112.6 | I373 E452 C454 V459 S460 | I373-R456 HydrophobicContact CD1-CG 4.03Å; E452-R456 PolarHBondContact O-N 2.86Å; E452-R456 VanDerWaalsContact O-N 3.07Å; E452-R456 IonicContact OE1-CZ 2.74Å; E452-R456 IonicContact OE1-NH1 3.56Å; E452-R456 PolarHBondContact OE1-NH1 2.84Å; E452-R456 IonicContact OE1-NH2 3.33Å; E452-R456 PolarHBondContact OE1-NH2 2.86Å; C454-R456 PolarHBondContact O-N 3.34Å; R456-V459 PolarHBondContact O-N 2.96Å; R456-S460 PolarHBondContact O-N 2.76Å |
| 457 | Q | 84.8 | Confident | 78.5 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 179.6 | -164.6 | 65.7 | 27.5 | 0 | 0 | 112.2 | V435 L436 P453 C454 V455 S460 C461 | V435-Q457 HydrophobicContact CG1-CG 3.27Å; L436-Q457 HydrophobicContact CD2-CB 4.32Å; P453-Q457 WeakPolarHBondContact O-CB 3.46Å; P453-Q457 PolarHBondContact O-N 3.38Å; C454-Q457 PolarHBondContact O-N 3.27Å; V455-Q457 VanDerWaalsContact C-N 3.33Å; V455-Q457 PolarHBondContact O-N 3.2Å; Q457-S460 PolarHBondContact O-N 3.14Å; Q457-C461 PolarHBondContact O-N 2.97Å; Q457-C461 VanDerWaalsContact O-N 3.11Å; Q457-C461 PolarHBondContact O-SG 2.84Å |
| 458 | L | 86.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56 | -50.3 | 170.2 | 172.2 | 65.2 | 0 | 0 | 0 | 111.2 | V389 L400 I432 L436 C454 V455 C461 L462 | V389-L458 HydrophobicContact CG1-CD2 3.74Å; L400-L458 HydrophobicContact CD2-CD2 4.26Å; I432-L458 HydrophobicContact CD1-CD1 4.18Å; I432-L458 HydrophobicContact CG2-CD1 3.43Å; I432-L458 VanDerWaalsContact CG2-CD1 3.43Å; L436-L458 HydrophobicContact CD2-CB 4.19Å; C454-L458 PolarHBondContact O-N 3.45Å; V455-L458 WeakPolarHBondContact O-CB 3.41Å; V455-L458 PolarHBondContact O-N 3.14Å; L458-C461 PolarHBondContact O-N 3.29Å; L458-L462 HydrophobicContact CD1-CD1 4.15Å; L458-L462 HydrophobicContact CG-CD1 4.2Å; L458-L462 WeakPolarHBondContact O-CG 3.18Å; L458-L462 PolarHBondContact O-N 3.31Å; L458-L462 VanDerWaalsContact O-N 3.15Å |
| 459 | V | 84.3 | Confident | 75.8 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 179 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | I373 V376 F393 V455 R456 C461 L462 E463 | I373-V459 HydrophobicContact CG2-CG2 4.2Å; V376-V459 HydrophobicContact CG2-CG2 3.68Å; F393-V459 HydrophobicContact CE1-CG1 4.19Å; F393-V459 HydrophobicContact CE2-CG2 4.2Å; F393-V459 HydrophobicContact CZ-CB 4.31Å; F393-V459 HydrophobicContact CZ-CG1 3.68Å; F393-V459 HydrophobicContact CZ-CG2 3.99Å; V455-V459 PolarHBondContact O-N 3.21Å; R456-V459 PolarHBondContact O-N 2.96Å; V459-C461 PolarHBondContact O-N 3.07Å; V459-L462 PolarHBondContact O-N 3.5Å; V459-E463 HydrophobicContact CG1-CG 4.21Å; V459-E463 WeakPolarHBondContact O-CG 3.39Å; V459-E463 PolarHBondContact O-N 3.17Å |
| 460 | S | 83.8 | Confident | 73.7 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.1 | -35.8 | 178.6 | -171.8 | 0 | 0 | 0 | 0 | 113.1 | R456 Q457 S464 | R456-S460 PolarHBondContact O-N 2.76Å; Q457-S460 PolarHBondContact O-N 3.14Å; S460-S464 PolarHBondContact O-N 3.1Å |
| 461 | C | 82.9 | Confident | 71.3 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.4 | -32.4 | 174.8 | -71.4 | 0 | 0 | 0 | 0 | 113.8 | I432 Q457 L458 V459 S464 | I432-C461 HydrophobicContact CG1-CB 3.86Å; Q457-C461 PolarHBondContact O-N 2.97Å; Q457-C461 VanDerWaalsContact O-N 3.11Å; Q457-C461 PolarHBondContact O-SG 2.84Å; L458-C461 PolarHBondContact O-N 3.29Å; V459-C461 PolarHBondContact O-N 3.07Å; C461-S464 PolarHBondContact O-OG 3.38Å; C461-S464 VanDerWaalsContact O-OG 3.05Å |
| 462 | L | 80.9 | Confident | 69.3 | Low | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.2 | -39.9 | 176.9 | -67.3 | 169.3 | 0 | 0 | 0 | 111.3 | A391 F393 V398 I424 M428 I432 L458 V459 M466 | A391-L462 HydrophobicContact CB-CD1 4.48Å; F393-L462 HydrophobicContact CD2-CB 4.33Å; F393-L462 HydrophobicContact CD2-CD1 3.87Å; F393-L462 HydrophobicContact CE2-CD1 4.13Å; F393-L462 HydrophobicContact CG-CB 4.5Å; V398-L462 HydrophobicContact CG2-CD1 4.08Å; V398-L462 HydrophobicContact CG2-CD2 3.97Å; I424-L462 HydrophobicContact CG2-CD2 4.17Å; M428-L462 HydrophobicContact SD-CD2 3.96Å; I432-L462 HydrophobicContact CD1-CD2 3.74Å; I432-L462 HydrophobicContact CD1-CG 4.24Å; L458-L462 HydrophobicContact CD1-CD1 4.15Å; L458-L462 HydrophobicContact CG-CD1 4.2Å; L458-L462 WeakPolarHBondContact O-CG 3.18Å; L458-L462 PolarHBondContact O-N 3.31Å; L458-L462 VanDerWaalsContact O-N 3.15Å; V459-L462 PolarHBondContact O-N 3.5Å; L462-M466 WeakPolarHBondContact O-CG 3.39Å |
| 463 | E | 80.6 | Confident | 67.1 | Low | 107 Ų | 107 | 73.7 Ų | 73.7 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 175.7 | -69.9 | 177.9 | 163.4 | 0 | 0 | 112.8 | F393 V459 D465 | F393-E463 HydrophobicContact CE1-CG 4.17Å; V459-E463 HydrophobicContact CG1-CG 4.21Å; V459-E463 WeakPolarHBondContact O-CG 3.39Å; V459-E463 PolarHBondContact O-N 3.17Å; E463-D465 VanDerWaalsContact C-N 3.35Å; E463-D465 PolarHBondContact O-N 3.21Å |
| 464 | S | 74.2 | Confident | 65 | Low | 52 Ų | 52 | 78.3 Ų | 78.3 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | -176 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | S460 C461 T467 | S460-S464 PolarHBondContact O-N 3.1Å; C461-S464 PolarHBondContact O-OG 3.38Å; C461-S464 VanDerWaalsContact O-OG 3.05Å; S464-T467 PolarHBondContact O-OG1 3.37Å |
| 465 | D | 64.8 | Low | 62.4 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 15% | 0.15 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -84 | -19.4 | -171.6 | -66.3 | 7.3 | 0 | 0 | 0 | 112 | M428 K431 E463 T467 Q468 | M428-D465 HydrophobicContact CE-CB 3.76Å; K431-D465 IonicContact NZ-OD1 3.94Å; K431-D465 PolarHBondContact NZ-OD1 3.14Å; K431-D465 IonicContact NZ-OD2 3.92Å; K431-D465 PolarHBondContact NZ-OD2 3.23Å; E463-D465 VanDerWaalsContact C-N 3.35Å; E463-D465 PolarHBondContact O-N 3.21Å; D465-T467 PolarHBondContact O-N 2.82Å; D465-Q468 PolarHBondContact O-N 3.18Å |
| 466 | M | 59.7 | Low | 60.3 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 43% | 0.429 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.5 | 172.1 | -68 | -72.1 | 96.1 | 0 | 0 | 113.7 | L462 Q468 | L462-M466 WeakPolarHBondContact O-CG 3.39Å; M466-Q468 VanDerWaalsContact C-N 3.31Å; M466-Q468 PolarHBondContact O-N 3.34Å |
| 467 | T | 55.1 | Low | 57.5 | Low | 123 Ų | 123 | 90 Ų | 90 | 76% | 0.755 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.3 | -178.8 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | S464 D465 | S464-T467 PolarHBondContact O-OG1 3.37Å; D465-T467 PolarHBondContact O-N 2.82Å |
| 468 | Q | 49.2 | Very low | 54.8 | Low | 159 Ų | 159 | 92.5 Ų | 92.5 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -115.4 | -5.6 | -167.9 | -151.9 | 166.3 | 26.8 | 0 | 0 | 115.4 | D465 M466 | D465-Q468 PolarHBondContact O-N 3.18Å; M466-Q468 VanDerWaalsContact C-N 3.31Å; M466-Q468 PolarHBondContact O-N 3.34Å |
| 469 | E | 42 | Very low | 51.9 | Low | 176 Ų | 176 | 99.8 Ų | 99.8 | 82% | 0.822 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -105.5 | 0.5 | -169.4 | -74.7 | -91.9 | 116.6 | 0 | 0 | 115.7 | ||
| 470 | D | 36.5 | Very low | 49.1 | Very low | 174 Ų | 174 | 104 Ų | 104 | 93% | 0.93 | 63% | 0.629 | S | S | * | * | trans | -106.1 | 104.1 | 178 | -87.8 | -43.2 | 0 | 0 | 0 | 112.7 | ||||
| 471 | G | 31.3 | Very low | 46.4 | Very low | 72 Ų | 72 | 108.6 Ų | 108.6 | 74% | 0.742 | 65% | 0.648 | S | S | * | * | trans | -173.7 | 104 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 472 | P | 40.4 | Very low | 44.5 | Very low | 138 Ų | 138 | 113 Ų | 113 | 90% | 0.896 | 68% | 0.677 | S | S | * | * | trans | -92.9 | 164.5 | 178.2 | 35.1 | -32.9 | 0 | 0 | 0 | 113.9 | ||||
| 473 | A | 35.1 | Very low | 42 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | -94.4 | 173.8 | -167 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 474 | S | 39 | Very low | 39.6 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 87% | 0.867 | 73% | 0.726 | S | S | * | * | trans | -42.1 | 141.8 | -177 | 53.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 475 | G | 30.1 | Very low | 37.4 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -177.1 | 132.2 | 158 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 476 | P | 40.8 | Very low | 35.6 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | trans | -104.8 | 159.3 | -176.8 | 36.6 | -31.3 | 0 | 0 | 0 | 115.7 | ||||
| 477 | F | 26.6 | Very low | 34.1 | Very low | 199 Ų | 199 | 130.6 Ų | 130.6 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | 106.4 | 142.6 | 163.1 | -71.1 | -82.1 | 0 | 0 | 0 | 120.9 | ||||
| 478 | V | 26.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 86.9 | 84.4 | 162.3 | -158.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 479 | L | 25.8 | Very low | 31.8 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | 46 | 130.3 | 118.8 | -68.5 | 173.2 | 0 | 0 | 0 | 125 | |||||
| 480 | S | 25.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | 90 | 92.6 | 132.7 | -65.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 481 | N | 26.8 | Very low | 30.7 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | 60.2 | 160.8 | 123 | -98.4 | 12.8 | 0 | 0 | 0 | 121.8 | |||||
| 482 | P | 44.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | -131.9 | 158.1 | -51.9 | 35.3 | -18.8 | 0 | 0 | 0 | 112.3 | |||||
| 483 | V | 28.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 167.4 | 144 | 148 | 147.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 484 | A | 28.8 | Very low | 29.4 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 63.1 | 110 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S486 | A484-S486 PolarHBondContact O-N 2.94Å; A484-S486 VanDerWaalsContact O-N 3.15Å | ||
| 485 | P | 29.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -70.9 | 111.3 | 171.7 | 29 | -31.8 | 0 | 0 | 0 | 110.2 | ||||
| 486 | S | 26.3 | Very low | 28.8 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.1 | 164.9 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | A484 Q488 | A484-S486 PolarHBondContact O-N 2.94Å; A484-S486 VanDerWaalsContact O-N 3.15Å; S486-Q488 PolarHBondContact O-N 2.99Å |
| 487 | L | 27.9 | Very low | 28.1 | Very low | 177 Ų | 177 | 145 Ų | 145 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.3 | 177.3 | -74.7 | 162 | 0 | 0 | 0 | 110.3 | A489 | L487-A489 PolarHBondContact O-N 3.26Š|
| 488 | Q | 27 | Very low | 28.2 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 127.4 | 168.6 | -76.2 | -173.2 | -27.1 | 0 | 0 | 109.9 | S486 F490 | S486-Q488 PolarHBondContact O-N 2.99Å; Q488-F490 PolarHBondContact O-N 2.8Å; Q488-F490 VanDerWaalsContact O-N 3.14Å |
| 489 | A | 29.5 | Very low | 28.3 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -65.6 | 110.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L487 | L487-A489 PolarHBondContact O-N 3.26Š| ||
| 490 | F | 26.8 | Very low | 28.4 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 77% | 0.768 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 138.2 | 174.6 | -76.7 | -87.6 | 0 | 0 | 0 | 110.7 | Q488 | Q488-F490 PolarHBondContact O-N 2.8Å; Q488-F490 VanDerWaalsContact O-N 3.14Å | ||
| 491 | P | 28.5 | Very low | 28.8 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -61.1 | 147.7 | 167.4 | 27.9 | -34.1 | 0 | 0 | 0 | 109.8 | V493 | P491-V493 WeakPolarHBondContact O-CG2 3.4Å; P491-V493 PolarHBondContact O-N 3.26Å | ||
| 492 | R | 28 | Very low | 29 | Very low | 255 Ų | 255 | 142 Ų | 142 | 96% | 0.962 | 79% | 0.785 | S | S | * | * | trans | -53.6 | 100.4 | -176.1 | -76.9 | 178.9 | 172.8 | 157.8 | -0.7 | 112.3 | ||||
| 493 | V | 25.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 142 Ų | 142 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -82.2 | 119.4 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | P491 | P491-V493 WeakPolarHBondContact O-CG2 3.4Å; P491-V493 PolarHBondContact O-N 3.26Å | ||
| 494 | T | 27.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 126 | 167.7 | 43.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 495 | N | 27.1 | Very low | 28.7 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | 44.5 | 100.1 | 163 | -74.2 | -6.8 | 0 | 0 | 0 | 118.2 | ||||
| 496 | T | 27.9 | Very low | 28.6 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -136.6 | 126.3 | 158.5 | 39.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 497 | Y | 25.9 | Very low | 28.7 | Very low | 251 Ų | 251 | 145.4 Ų | 145.4 | 98% | 0.984 | 78% | 0.778 | S | S | * | * | trans | -128.4 | 128 | 151.4 | -119.6 | -79.5 | 0 | 0 | 0 | 105.7 | ||||
| 498 | G | 28.6 | Very low | 28.9 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 125.7 | 113.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 499 | S | 29.6 | Very low | 29.6 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -83 | 162.3 | -174.8 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 500 | Y | 28.4 | Very low | 30.2 | Very low | 214 Ų | 214 | 139 Ų | 139 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | 60.8 | 95.5 | 175.5 | -66.1 | -82 | 0 | 0 | 0 | 116.3 | ||||
| 501 | Q | 32.3 | Very low | 31.2 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -99.7 | 102 | 153.1 | -68.8 | -174.7 | 9.3 | 0 | 0 | 108.7 | ||||
| 502 | D | 32.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 57% | 0.572 | 70% | 0.7 | S | S | * | * | trans | -73.4 | 121.4 | 154.5 | -102.3 | -49.7 | 0 | 0 | 0 | 107.8 | N504 I505 | D502-N504 PolarHBondContact O-N 2.99Å; D502-I505 HydrophobicContact CB-CB 4.37Å; D502-I505 HydrophobicContact CB-CD1 3.75Å; D502-I505 HydrophobicContact CB-CG1 3.84Å; D502-I505 PolarHBondContact O-N 3.3Å; D502-I505 VanDerWaalsContact O-N 3.14Å | ||
| 503 | A | 34.3 | Very low | 33.8 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -14.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 504 | N | 30.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 3.7 | -177.4 | -64.7 | -37.8 | 0 | 0 | 0 | 114.3 | D502 | D502-N504 PolarHBondContact O-N 2.99Š|
| 505 | I | 30.2 | Very low | 36.7 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 61% | 0.605 | 68% | 0.678 | S | S | * | * | trans | -113.9 | 106.7 | -177.7 | -55.2 | -179.2 | 0 | 0 | 0 | 111.1 | D502 | D502-I505 HydrophobicContact CB-CB 4.37Å; D502-I505 HydrophobicContact CB-CD1 3.75Å; D502-I505 HydrophobicContact CB-CG1 3.84Å; D502-I505 PolarHBondContact O-N 3.3Å; D502-I505 VanDerWaalsContact O-N 3.14Å | ||
| 506 | P | 26.5 | Very low | 38.2 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | trans | -75.5 | 134.9 | -178.7 | 27.4 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 507 | F | 28 | Very low | 39.4 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | trans | -64 | 137.5 | 176.3 | -94.7 | -85.6 | 0 | 0 | 0 | 112.9 | R509 R542 | F507-R509 PolarHBondContact O-N 2.82Å; F507-R509 VanDerWaalsContact O-N 3.13Å; F507-R542 VanDerWaalsContact CD1-NH2 3.35Å | ||
| 508 | P | 33.3 | Very low | 40.9 | Very low | 84 Ų | 84 | 107.9 Ų | 107.9 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | trans | -73.4 | 109.5 | 178.3 | 28.8 | -34 | 0 | 0 | 0 | 111.6 | ||||
| 509 | R | 41 | Very low | 42.6 | Very low | 111 Ų | 111 | 104.7 Ų | 104.7 | 42% | 0.419 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -119.3 | 113.1 | 152.2 | -71.3 | -164.8 | -170.1 | -126.4 | 3.8 | 108.3 | F507 S511 R526 T540 | F507-R509 PolarHBondContact O-N 2.82Å; F507-R509 VanDerWaalsContact O-N 3.13Å; R509-S511 VanDerWaalsContact C-N 3.32Å; R509-S511 PolarHBondContact O-N 2.93Å; R509-R526 PolarHBondContact O-NE 3.33Å; R509-R526 VanDerWaalsContact O-NE 3.14Å; R509-R526 PolarHBondContact O-NH2 2.85Å; R509-T540 PolarHBondContact NH1-O 3.12Å; R509-T540 VanDerWaalsContact NH1-O 3.17Å; R509-T540 PolarHBondContact NH1-OG1 2.95Å |
| 510 | T | 42 | Very low | 44.6 | Very low | 112 Ų | 112 | 100.9 Ų | 100.9 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 61.9 | 24.6 | 178.8 | 75.8 | 0 | 0 | 0 | 0 | 116.6 | R526 | T510-R526 PolarHBondContact OG1-NE 2.9Å; T510-R526 VanDerWaalsContact OG1-NE 3.11Å; T510-R526 PolarHBondContact OG1-NH2 2.85Å |
| 511 | S | 47.9 | Very low | 46.9 | Very low | 42 Ų | 42 | 92.3 Ų | 92.3 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | trans | -126.5 | 91.2 | 166.8 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | R509 A513 F524 | R509-S511 VanDerWaalsContact C-N 3.32Å; R509-S511 PolarHBondContact O-N 2.93Å; S511-A513 PolarHBondContact O-N 3.04Å; S511-F524 WeakPolarHBondContact CB-O 3.39Å | ||
| 512 | G | 51.4 | Low | 48.9 | Very low | 43 Ų | 43 | 85.7 Ų | 85.7 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | trans | -75.3 | 119.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | F524 | G512-F524 VanDerWaalsContact O-CD2 3.25Å; G512-F524 WeakPolarHBondContact O-CD2 3.46Å; G512-F524 WeakPolarHBondContact O-CE2 3.21Å | ||
| 513 | A | 59.4 | Low | 50.7 | Low | 62 Ų | 62 | 83.7 Ų | 83.7 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | trans | -98.5 | 127.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S511 L521 V522 | S511-A513 PolarHBondContact O-N 3.04Å; A513-L521 HydrophobicContact CB-CD1 3.94Å; A513-V522 CarbonylContact C-O 3.5Å; A513-V522 WeakPolarHBondContact CA-O 3.31Å | ||
| 514 | R | 53 | Low | 52.5 | Low | 202 Ų | 202 | 83.3 Ų | 83.3 | 76% | 0.762 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.4 | 178.5 | -79.2 | -77.4 | -178.7 | 132.7 | -1.8 | 109.6 | V522 | R514-V522 PolarHBondContact N-O 2.99Å; R514-V522 PolarHBondContact O-N 2.91Å |
| 515 | F | 61.8 | Low | 53.6 | Low | 142 Ų | 142 | 78.3 Ų | 78.3 | 62% | 0.623 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 125.7 | 162.5 | -56.8 | -66.1 | 0 | 0 | 0 | 108.8 | C520 L521 I642 | F515-C520 CarbonylContact C-O 3.45Å; F515-C520 WeakPolarHBondContact CA-O 3.43Å; F515-L521 HydrophobicContact CD1-CB 4.1Å; F515-L521 HydrophobicContact CD1-CD1 3.74Å; F515-L521 HydrophobicContact CD1-CG 4.43Å; F515-L521 HydrophobicContact CE1-CB 4.14Å; F515-L521 HydrophobicContact CE1-CD1 3.67Å; F515-L521 HydrophobicContact CE1-CD2 4.16Å; F515-L521 HydrophobicContact CE1-CG 4.2Å; F515-L521 HydrophobicContact CG-CD1 4.34Å; F515-L521 HydrophobicContact CZ-CD1 4.23Å; F515-I642 HydrophobicContact CD1-CD1 3.33Å; F515-I642 HydrophobicContact CD1-CG1 3.96Å; F515-I642 HydrophobicContact CE1-CD1 3.51Å; F515-I642 HydrophobicContact CE1-CG1 4.2Å; F515-I642 HydrophobicContact CG-CD1 4.35Å |
| 516 | C | 57.4 | Low | 54.5 | Low | 46 Ų | 46 | 80.3 Ų | 80.3 | 31% | 0.311 | 43% | 0.43 | S | S | . | . | trans | -87.5 | 157.3 | 167.4 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | T518 G519 C520 | C516-T518 PolarHBondContact O-N 3.12Å; C516-T518 PolarHBondContact SG-OG1 3.37Å; C516-G519 PolarHBondContact O-N 2.95Å; C516-C520 PolarHBondContact N-O 3.33Å; C516-C520 WeakPolarHBondContact SG-CB 3.31Å; C516-C520 PolarHBondContact SG-N 3.42Å; C516-C520 PolarHBondContact SG-O 2.93Å | ||
| 517 | G | 54.2 | Low | 55.1 | Low | 43 Ų | 43 | 77.5 Ų | 77.5 | 44% | 0.443 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 7.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 518 | T | 58.1 | Low | 55.7 | Low | 57 Ų | 57 | 77.9 Ų | 77.9 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 5.4 | 176.4 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | C516 R856 | C516-T518 PolarHBondContact O-N 3.12Å; C516-T518 PolarHBondContact SG-OG1 3.37Å; T518-R856 HydrophobicContact CG2-CB 4.4Å; T518-R856 VanDerWaalsContact CG2-O 3.31Å; T518-R856 WeakPolarHBondContact CG2-O 3.23Å |
| 519 | G | 62.4 | Low | 55.9 | Low | 4 Ų | 4 | 79.9 Ų | 79.9 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | S | Bend | trans | 88.7 | 23.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | C516 I642 S643 | C516-G519 PolarHBondContact O-N 2.95Å; G519-I642 CarbonylContact O-C 3.47Å; G519-I642 WeakPolarHBondContact O-CG1 3.1Å; G519-I642 PolarHBondContact O-N 2.83Å; G519-S643 PolarHBondContact O-N 3.35Å |
| 520 | C | 71.7 | Confident | 55.7 | Low | 27 Ų | 27 | 82.5 Ų | 82.5 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.5 | 174.3 | -39.8 | 0 | 0 | 0 | 0 | 111.6 | F515 C516 I639 Q640 | F515-C520 CarbonylContact C-O 3.45Å; F515-C520 WeakPolarHBondContact CA-O 3.43Å; C516-C520 PolarHBondContact N-O 3.33Å; C516-C520 WeakPolarHBondContact SG-CB 3.31Å; C516-C520 PolarHBondContact SG-N 3.42Å; C516-C520 PolarHBondContact SG-O 2.93Å; C520-I639 HydrophobicContact CB-CG2 3.81Å; C520-Q640 CarbonylContact C-O 3.51Å; C520-Q640 WeakPolarHBondContact CA-O 3.5Å |
| 521 | L | 77.1 | Confident | 55.8 | Low | 34 Ų | 34 | 86 Ų | 86 | 18% | 0.178 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 111.9 | 166.6 | -179.6 | 57 | 0 | 0 | 0 | 108.9 | A513 F515 Y523 Q640 I642 | A513-L521 HydrophobicContact CB-CD1 3.94Å; F515-L521 HydrophobicContact CD1-CB 4.1Å; F515-L521 HydrophobicContact CD1-CD1 3.74Å; F515-L521 HydrophobicContact CD1-CG 4.43Å; F515-L521 HydrophobicContact CE1-CB 4.14Å; F515-L521 HydrophobicContact CE1-CD1 3.67Å; F515-L521 HydrophobicContact CE1-CD2 4.16Å; F515-L521 HydrophobicContact CE1-CG 4.2Å; F515-L521 HydrophobicContact CG-CD1 4.34Å; F515-L521 HydrophobicContact CZ-CD1 4.23Å; L521-Y523 HydrophobicContact CD2-CD1 4.5Å; L521-Y523 HydrophobicContact CG-CD1 4.21Å; L521-Q640 PolarHBondContact N-O 2.96Å; L521-Q640 PolarHBondContact O-N 3.45Å; L521-I642 HydrophobicContact CB-CG1 4.45Å; L521-I642 HydrophobicContact CB-CG2 3.67Å; L521-I642 HydrophobicContact CD2-CG2 4.5Å |
| 522 | V | 74.3 | Confident | 55.1 | Low | 40 Ų | 40 | 95 Ų | 95 | 24% | 0.242 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.7 | 172.5 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | A513 R514 V637 I639 | A513-V522 CarbonylContact C-O 3.5Å; A513-V522 WeakPolarHBondContact CA-O 3.31Å; R514-V522 PolarHBondContact N-O 2.99Å; R514-V522 PolarHBondContact O-N 2.91Å; V522-V637 HydrophobicContact CG1-CG1 3.98Å; V522-I639 HydrophobicContact CG1-CG1 4.3Å; V522-I639 HydrophobicContact CG2-CG1 4.22Å; V522-I639 HydrophobicContact CG2-CG2 4.36Å |
| 523 | Y | 70.6 | Confident | 54.6 | Low | 65 Ų | 65 | 98.3 Ų | 98.3 | 26% | 0.255 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.3 | 177.4 | 72 | -80.6 | 0 | 0 | 0 | 112.3 | L521 T525 I638 Q640 | L521-Y523 HydrophobicContact CD2-CD1 4.5Å; L521-Y523 HydrophobicContact CG-CD1 4.21Å; Y523-T525 HydrophobicContact CD2-CG2 4.18Å; Y523-T525 HydrophobicContact CE2-CG2 3.8Å; Y523-I638 HydrophobicContact CD1-CB 4.15Å; Y523-I638 HydrophobicContact CD1-CG2 4.32Å; Y523-I638 HydrophobicContact CD2-CB 4.49Å; Y523-I638 HydrophobicContact CE1-CB 3.75Å; Y523-I638 HydrophobicContact CE1-CG2 3.54Å; Y523-I638 HydrophobicContact CE2-CB 4.14Å; Y523-I638 HydrophobicContact CE2-CD1 4Å; Y523-I638 HydrophobicContact CE2-CG1 4.47Å; Y523-I638 HydrophobicContact CE2-CG2 4.5Å; Y523-I638 PolarHBondContact N-O 3.17Å; Y523-I638 PolarHBondContact O-N 3.24Å; Y523-I638 VanDerWaalsContact O-O 3.06Å; Y523-Q640 HydrophobicContact CE1-CB 4.18Å |
| 524 | F | 72.1 | Confident | 53.1 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 144.6 | -179.1 | -53 | -93.9 | 0 | 0 | 0 | 110.3 | S511 G512 V637 | S511-F524 WeakPolarHBondContact CB-O 3.39Å; G512-F524 VanDerWaalsContact O-CD2 3.25Å; G512-F524 WeakPolarHBondContact O-CD2 3.46Å; G512-F524 WeakPolarHBondContact O-CE2 3.21Å; F524-V637 HydrophobicContact CD1-CB 4.45Å; F524-V637 HydrophobicContact CD1-CG1 4.36Å; F524-V637 HydrophobicContact CD1-CG2 3.86Å; F524-V637 HydrophobicContact CE1-CG1 4.15Å; F524-V637 HydrophobicContact CE1-CG2 3.79Å |
| 525 | T | 54.2 | Low | 52.1 | Low | 48 Ų | 48 | 94.9 Ų | 94.9 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | trans | -113.9 | 142 | 172.3 | 53 | 0 | 0 | 0 | 0 | 111.4 | Y523 K636 I638 | Y523-T525 HydrophobicContact CD2-CG2 4.18Å; Y523-T525 HydrophobicContact CE2-CG2 3.8Å; T525-K636 PolarHBondContact N-O 2.92Å; T525-K636 PolarHBondContact OG1-O 3.01Å; T525-I638 HydrophobicContact CG2-CD1 3.48Å; T525-I638 VanDerWaalsContact CG2-CD1 3.48Å; T525-I638 HydrophobicContact CG2-CG1 4.16Å | ||
| 526 | R | 47.5 | Very low | 50.9 | Low | 159 Ų | 159 | 94.5 Ų | 94.5 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | trans | -76.5 | 141.4 | 172.8 | -73.3 | -177.1 | 171.1 | -144.3 | -12.2 | 109.8 | R509 T510 I528 | R509-R526 PolarHBondContact O-NE 3.33Å; R509-R526 VanDerWaalsContact O-NE 3.14Å; R509-R526 PolarHBondContact O-NH2 2.85Å; T510-R526 PolarHBondContact OG1-NE 2.9Å; T510-R526 VanDerWaalsContact OG1-NE 3.11Å; T510-R526 PolarHBondContact OG1-NH2 2.85Å; R526-I528 PolarHBondContact O-N 2.88Å | ||
| 527 | P | 40 | Very low | 50 | Low | 59 Ų | 59 | 97.7 Ų | 97.7 | 38% | 0.383 | 54% | 0.537 | S | S | . | . | trans | -60.6 | 134.9 | 170.7 | -21.5 | 33.2 | 0 | 0 | 0 | 111.3 | T529 | P527-T529 PolarHBondContact O-N 3.04Å; P527-T529 VanDerWaalsContact O-N 3.15Å | ||
| 528 | I | 40.3 | Very low | 49 | Very low | 160 Ų | 160 | 104.3 Ų | 104.3 | 82% | 0.821 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -11.9 | -169.3 | -145.2 | 159 | 0 | 0 | 0 | 114 | R526 M530 | R526-I528 PolarHBondContact O-N 2.88Å; I528-M530 PolarHBondContact O-N 2.86Å |
| 529 | T | 38.4 | Very low | 48 | Very low | 126 Ų | 126 | 105.9 Ų | 105.9 | 77% | 0.773 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 12.4 | -173.6 | 51.2 | 0 | 0 | 0 | 0 | 115 | P527 | P527-T529 PolarHBondContact O-N 3.04Å; P527-T529 VanDerWaalsContact O-N 3.15Å |
| 530 | M | 36.4 | Very low | 46.4 | Very low | 166 Ų | 166 | 110.3 Ų | 110.3 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -93.8 | 21.6 | 175.7 | -85.8 | -155.7 | 71.2 | 0 | 0 | 115.1 | I528 R532 | I528-M530 PolarHBondContact O-N 2.86Å; M530-R532 PolarHBondContact O-N 3.36Å; M530-R532 VanDerWaalsContact O-N 3.17Å | ||
| 531 | H | 43.3 | Very low | 44.6 | Very low | 185 Ų | 185 | 112.5 Ų | 112.5 | 86% | 0.856 | 61% | 0.608 | S | S | * | * | trans | -78.5 | 90.6 | 164 | -89 | -87.8 | 0 | 0 | 0 | 111.3 | ||||
| 532 | R | 33.9 | Very low | 42.8 | Very low | 232 Ų | 232 | 118.3 Ų | 118.3 | 88% | 0.875 | 63% | 0.628 | S | S | * | * | trans | -150.1 | 115.3 | 152.4 | -140.7 | 177.5 | -176.2 | 172.8 | 2.5 | 113.3 | M530 | M530-R532 PolarHBondContact O-N 3.36Å; M530-R532 VanDerWaalsContact O-N 3.17Å | ||
| 533 | S | 39.7 | Very low | 40.9 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 78% | 0.783 | 64% | 0.639 | S | S | * | * | trans | 13.9 | 105.1 | 157.2 | 59.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 534 | A | 28.9 | Very low | 39.2 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | trans | -116.4 | 140.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 535 | P | 31.7 | Very low | 37.5 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | trans | -67.6 | 158.2 | 175.8 | 28.6 | -33.8 | 0 | 0 | 0 | 111.6 | T537 | P535-T537 VanDerWaalsContact C-N 3.26Å; P535-T537 PolarHBondContact O-N 3.38Å | ||
| 536 | P | 37.2 | Very low | 36.7 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 87% | 0.87 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -82.3 | 33.8 | -157.3 | 34.2 | -38.9 | 0 | 0 | 0 | 115.6 | ||
| 537 | T | 37.7 | Very low | 36 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 69% | 0.693 | 67% | 0.668 | S | S | * | * | trans | -123.5 | 14.2 | -162.6 | 52.6 | 0 | 0 | 0 | 0 | 117 | P535 | P535-T537 VanDerWaalsContact C-N 3.26Å; P535-T537 PolarHBondContact O-N 3.38Å | ||
| 538 | E | 33.8 | Very low | 35.8 | Very low | 183 Ų | 183 | 121.4 Ų | 121.4 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | -132.3 | 117 | 173.7 | -71.2 | -168 | 158.6 | 0 | 0 | 113.5 | ||||
| 539 | P | 36.4 | Very low | 35.6 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 58% | 0.578 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 131.2 | 171.7 | 0.1 | 17.4 | 0 | 0 | 0 | 111.6 | Y550 | P539-Y550 WeakPolarHBondContact CB-OH 3.44Å; P539-Y550 WeakPolarHBondContact CG-OH 3.44Å; P539-Y550 PolarHBondContact O-OH 2.98Å |
| 540 | T | 29.6 | Very low | 35.4 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 60% | 0.595 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 135.6 | 164.7 | 30.4 | 0 | 0 | 0 | 0 | 111.1 | R509 | R509-T540 PolarHBondContact NH1-O 3.12Å; R509-T540 VanDerWaalsContact NH1-O 3.17Å; R509-T540 PolarHBondContact NH1-OG1 2.95Å |
| 541 | P | 33.4 | Very low | 35.2 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 48% | 0.481 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 154.7 | -172 | 28.6 | -35.1 | 0 | 0 | 0 | 113.4 | A546 | P541-A546 HydrophobicContact CB-CB 3.87Š|
| 542 | R | 38.5 | Very low | 34.8 | Very low | 156 Ų | 156 | 113.6 Ų | 113.6 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | trans | -112.7 | -7.8 | -165.7 | -136.3 | 173.9 | -173.1 | 164.6 | -0.8 | 115.5 | F507 | F507-R542 VanDerWaalsContact CD1-NH2 3.35Š| ||
| 543 | S | 34.3 | Very low | 34.7 | Very low | 69 Ų | 69 | 105.8 Ų | 105.8 | 48% | 0.483 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -166.7 | 169.5 | 174 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | S545 A546 | S543-S545 PolarHBondContact O-N 3.45Å; S543-S545 VanDerWaalsContact O-N 3.12Å; S543-A546 WeakPolarHBondContact O-CB 3.43Å; S543-A546 PolarHBondContact O-N 3.36Å |
| 544 | L | 34.9 | Very low | 34.3 | Very low | 153 Ų | 153 | 107.1 Ų | 107.1 | 80% | 0.801 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -59.5 | -20.1 | 175 | -73.5 | 170 | 0 | 0 | 0 | 113.4 | A546 | L544-A546 PolarHBondContact O-N 3.18Š|
| 545 | S | 38 | Very low | 34.3 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -70.6 | -12.1 | 174.6 | -40.4 | 0 | 0 | 0 | 0 | 114.1 | S543 | S543-S545 PolarHBondContact O-N 3.45Å; S543-S545 VanDerWaalsContact O-N 3.12Å |
| 546 | A | 36.1 | Very low | 34.2 | Very low | 30 Ų | 30 | 112.1 Ų | 112.1 | 25% | 0.248 | 66% | 0.66 | C | S | . | * | G | 310 helix | trans | -101.4 | 1.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P541 S543 L544 | P541-A546 HydrophobicContact CB-CB 3.87Å; S543-A546 WeakPolarHBondContact O-CB 3.43Å; S543-A546 PolarHBondContact O-N 3.36Å; L544-A546 PolarHBondContact O-N 3.18Å |
| 547 | L | 33.3 | Very low | 33.8 | Very low | 80 Ų | 80 | 112 Ų | 112 | 42% | 0.419 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -79.6 | -25.5 | 179.4 | -93.8 | 161.1 | 0 | 0 | 0 | 113.8 | A549 Y550 | L547-A549 PolarHBondContact O-N 2.97Å; L547-Y550 PolarHBondContact O-N 3.14Å |
| 548 | S | 36.6 | Very low | 33.2 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -26.5 | 178.7 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | Y550 | S548-Y550 VanDerWaalsContact C-N 3.32Å; S548-Y550 PolarHBondContact O-N 3.43Å |
| 549 | A | 36.1 | Very low | 32.9 | Very low | 78 Ų | 78 | 117 Ų | 117 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -14.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L547 | L547-A549 PolarHBondContact O-N 2.97Š|
| 550 | Y | 33.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 48% | 0.482 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -104.6 | -8 | -172.4 | -78.2 | -89.5 | 0 | 0 | 0 | 114.9 | P539 L547 S548 | P539-Y550 WeakPolarHBondContact CB-OH 3.44Å; P539-Y550 WeakPolarHBondContact CG-OH 3.44Å; P539-Y550 PolarHBondContact O-OH 2.98Å; L547-Y550 PolarHBondContact O-N 3.14Å; S548-Y550 VanDerWaalsContact C-N 3.32Å; S548-Y550 PolarHBondContact O-N 3.43Å |
| 551 | H | 32.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -90.2 | -3.4 | -179.9 | -85.3 | -76 | 0 | 0 | 0 | 114.8 | G553 | H551-G553 VanDerWaalsContact C-N 3.33Å; H551-G553 PolarHBondContact O-N 3.13Å |
| 552 | S | 35.1 | Very low | 31.7 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -91.1 | 55.8 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 553 | G | 31.2 | Very low | 31 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -94.9 | 83.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | H551 | H551-G553 VanDerWaalsContact C-N 3.33Å; H551-G553 PolarHBondContact O-N 3.13Å | ||
| 554 | V | 30.9 | Very low | 30.6 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -84.3 | 121.8 | 162.2 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 555 | L | 30.5 | Very low | 30.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -64.6 | 137 | -177.1 | -69.1 | 153.6 | 0 | 0 | 0 | 112.4 | ||||
| 556 | T | 27.8 | Very low | 29.5 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -123.5 | 137.1 | 156.6 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 557 | P | 28.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 134.4 | -166.5 | 30.7 | -35.3 | 0 | 0 | 0 | 112.8 | ||
| 558 | M | 26.9 | Very low | 28.7 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 96% | 0.961 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144.5 | 167.4 | -93.6 | -171.3 | 142.8 | 0 | 0 | 112 | ||
| 559 | K | 26.6 | Very low | 28.2 | Very low | 206 Ų | 206 | 151.7 Ų | 151.7 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 119.8 | -169.1 | -169.6 | 176.6 | -175.8 | 177.7 | 0 | 110.4 | ||
| 560 | M | 23.5 | Very low | 27.6 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 147.6 | 171.8 | -70 | -74.6 | -78.1 | 0 | 0 | 111.4 | ||
| 561 | R | 26.8 | Very low | 27.1 | Very low | 252 Ų | 252 | 158.5 Ų | 158.5 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | -129.5 | 148.8 | 160.6 | -139.9 | 173.6 | -172.7 | 152.9 | 0.4 | 109.4 | ||||
| 562 | S | 25 | Very low | 26.6 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -87.9 | 142.6 | -159.1 | 170 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 563 | E | 23.2 | Very low | 26 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | 145.4 | 133.8 | 148.5 | -84.1 | 169.4 | -163.6 | 0 | 0 | 108.6 | ||||
| 564 | S | 26 | Very low | 25.6 | Very low | 113 Ų | 113 | 157 Ų | 157 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | cis | -150.8 | 171.9 | -2.5 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 565 | Q | 25.6 | Very low | 26.2 | Very low | 178 Ų | 178 | 155.8 Ų | 155.8 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -32.4 | 139.9 | -178 | -60.9 | 166.5 | -14.1 | 0 | 0 | 115.8 | ||||
| 566 | N | 23.8 | Very low | 25.9 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | -172.2 | 166.1 | 72.7 | -132 | -24.3 | 0 | 0 | 0 | 115.8 | |||||
| 567 | T | 27.4 | Very low | 26.1 | Very low | 126 Ų | 126 | 158.5 Ų | 158.5 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | 63.1 | 89 | 158.3 | 47.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 568 | L | 24.6 | Very low | 25.9 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -9.9 | 141.7 | 139.6 | -65.8 | 158.3 | 0 | 0 | 0 | 121.1 | ||||
| 569 | R | 27.4 | Very low | 26.1 | Very low | 232 Ų | 232 | 154.1 Ų | 154.1 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | 149.8 | 155 | 120.7 | -81.7 | -161.2 | -179.2 | -174.5 | 1.5 | 112.5 | |||||
| 570 | L | 22.9 | Very low | 26.2 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | cis | -175.9 | 129.2 | -36.6 | -108.5 | 175.4 | 0 | 0 | 0 | 106.9 | ||||
| 571 | Y | 23.4 | Very low | 26.4 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 86% | 0.863 | 80% | 0.802 | S | S | * | * | trans | 58.1 | 166.2 | 165.5 | -76.4 | -72 | 0 | 0 | 0 | 117.7 | ||||
| 572 | S | 22.5 | Very low | 26.7 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -159.5 | 164.3 | -22.2 | -173 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 573 | G | 22.6 | Very low | 27 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 125.5 | 107.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 574 | S | 22.1 | Very low | 27.4 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -100.9 | 177.9 | 155.9 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 575 | P | 43.7 | Very low | 27.7 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | -132.5 | 163.1 | -47 | 35.9 | -21.7 | 0 | 0 | 0 | 112.5 | ||||
| 576 | T | 24 | Very low | 28 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | -152.6 | 152.9 | 152 | 37.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 577 | R | 31.3 | Very low | 28.6 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -75.1 | 146.6 | 177 | -69.3 | 178.8 | 62.9 | -173.5 | -3.1 | 112.1 | D579 | R577-D579 IonicContact CZ-OD1 3.38Å; R577-D579 IonicContact NH2-OD1 2.66Å; R577-D579 PolarHBondContact NH2-OD1 3.42Å; R577-D579 IonicContact NH2-OD2 2.86Å; R577-D579 PolarHBondContact NH2-OD2 2.74Å | ||
| 578 | S | 24.7 | Very low | 28.9 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -145.8 | 138.4 | 137.7 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 579 | D | 32.3 | Very low | 29.3 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | trans | -80 | 136.3 | 175 | -50.1 | -61.9 | 0 | 0 | 0 | 109.7 | R577 | R577-D579 IonicContact CZ-OD1 3.38Å; R577-D579 IonicContact NH2-OD1 2.66Å; R577-D579 PolarHBondContact NH2-OD1 3.42Å; R577-D579 IonicContact NH2-OD2 2.86Å; R577-D579 PolarHBondContact NH2-OD2 2.74Å | ||
| 580 | K | 27.4 | Very low | 29.5 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | 172 | 160.8 | 127.7 | -94.2 | 165.8 | -171.8 | -178.6 | 0 | 114.6 | |||||
| 581 | D | 28.6 | Very low | 29.9 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 74.7 | 67.4 | 165 | -60.6 | -3.8 | 0 | 0 | 0 | 118.5 | V583 | D581-V583 PolarHBondContact O-N 3.39Š| ||
| 582 | T | 32.9 | Very low | 30.5 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | trans | -59.9 | 116.9 | 141.9 | 43.8 | 0 | 0 | 0 | 0 | 109.5 | S584 | T582-S584 PolarHBondContact O-N 2.85Š| ||
| 583 | V | 30 | Very low | 30.9 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 104 | -177.3 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | D581 | D581-V583 PolarHBondContact O-N 3.39Š| ||
| 584 | S | 32.2 | Very low | 31.2 | Very low | 67 Ų | 67 | 150.1 Ų | 150.1 | 47% | 0.469 | 75% | 0.754 | S | S | . | * | trans | -70.9 | 138 | 171.8 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | T582 S586 S587 | T582-S584 PolarHBondContact O-N 2.85Å; S584-S586 PolarHBondContact O-N 3.01Å; S584-S586 PolarHBondContact OG-N 3.08Å; S584-S586 PolarHBondContact OG-OG 3.22Å; S584-S587 WeakPolarHBondContact O-CB 3.41Å; S584-S587 PolarHBondContact O-N 2.85Å; S584-S587 PolarHBondContact O-OG 3.41Å | ||
| 585 | I | 32 | Very low | 31.6 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -24.4 | 174.8 | -67.5 | 168.8 | 0 | 0 | 0 | 112.1 | S587 F588 | I585-S587 PolarHBondContact O-N 3.34Å; I585-F588 PolarHBondContact O-N 2.93Å |
| 586 | S | 33.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 152 Ų | 152 | 53% | 0.531 | 75% | 0.753 | S | S | . | * | H | α-helix | trans | -65.1 | -18.3 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | S584 F588 | S584-S586 PolarHBondContact O-N 3.01Å; S584-S586 PolarHBondContact OG-N 3.08Å; S584-S586 PolarHBondContact OG-OG 3.22Å; S586-F588 VanDerWaalsContact C-N 3.31Å; S586-F588 PolarHBondContact O-N 3.18Å |
| 587 | S | 35.1 | Very low | 31.3 | Very low | 55 Ų | 55 | 153.7 Ų | 153.7 | 39% | 0.385 | 75% | 0.753 | S | S | . | * | H | α-helix | trans | -74.6 | -18.3 | 177.4 | 72.5 | 0 | 0 | 0 | 0 | 113.9 | S584 I585 | S584-S587 WeakPolarHBondContact O-CB 3.41Å; S584-S587 PolarHBondContact O-N 2.85Å; S584-S587 PolarHBondContact O-OG 3.41Å; I585-S587 PolarHBondContact O-N 3.34Å |
| 588 | F | 33.3 | Very low | 31.2 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -84.3 | -26.7 | -178.1 | -128.5 | -84.8 | 0 | 0 | 0 | 113 | I585 S586 | I585-F588 PolarHBondContact O-N 2.93Å; S586-F588 VanDerWaalsContact C-N 3.31Å; S586-F588 PolarHBondContact O-N 3.18Å |
| 589 | Y | 33.9 | Very low | 31.4 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -95 | -9.9 | -177.3 | -76.7 | -81.9 | 0 | 0 | 0 | 114.7 | ||
| 590 | Y | 31.6 | Very low | 31.1 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -109.1 | 7.3 | -176.4 | -93.6 | -81.5 | 0 | 0 | 0 | 115.5 | E592 | Y590-E592 PolarHBondContact O-N 3.21Š|
| 591 | K | 32.1 | Very low | 31.4 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93.3 | 37.3 | 179 | -85.7 | -169.9 | 175.8 | 179.2 | 0 | 114.9 | ||
| 592 | E | 34.4 | Very low | 31.2 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -154.2 | 54.7 | 163.4 | -129.4 | 169 | -142.7 | 0 | 0 | 115.5 | Y590 | Y590-E592 PolarHBondContact O-N 3.21Š|
| 593 | R | 32.3 | Very low | 30.7 | Very low | 243 Ų | 243 | 157.4 Ų | 157.4 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -142 | 74.6 | 149.5 | -75.9 | -163.7 | -158.6 | 177.6 | 7.9 | 111.3 | ||||
| 594 | K | 28.3 | Very low | 30.3 | Very low | 210 Ų | 210 | 156 Ų | 156 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | -120.7 | 90 | 153 | -81.3 | -167.5 | 174.6 | -174.9 | 0 | 108.3 | ||||
| 595 | L | 31 | Very low | 30 | Very low | 166 Ų | 166 | 158.4 Ų | 158.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 144.9 | 157.3 | -74.6 | 164.3 | 0 | 0 | 0 | 108.3 | ||||
| 596 | P | 32.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 160 Ų | 160 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | trans | -77.7 | 160 | 173.5 | 33.7 | -34.7 | 0 | 0 | 0 | 111.3 | ||||
| 597 | M | 28 | Very low | 29.4 | Very low | 184 Ų | 184 | 161.4 Ų | 161.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | 70.3 | 146.3 | 172.3 | -47.3 | -164.7 | 93.5 | 0 | 0 | 115.4 | ||||
| 598 | S | 29.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 165.6 Ų | 165.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | cis | -158.2 | 157.7 | -21.7 | 175.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 599 | A | 29.2 | Very low | 28.6 | Very low | 93 Ų | 93 | 164.6 Ų | 164.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -60.2 | 146.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 600 | S | 26.2 | Very low | 28.2 | Very low | 113 Ų | 113 | 162.5 Ų | 162.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -146.8 | 126.1 | 150.4 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 601 | R | 32.1 | Very low | 27.8 | Very low | 239 Ų | 239 | 163.9 Ų | 163.9 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -130.2 | 124.3 | 162.1 | -67.4 | -169 | -162.7 | -157.8 | 7.1 | 106.8 | ||||
| 602 | R | 24.1 | Very low | 28.2 | Very low | 222 Ų | 222 | 160 Ų | 160 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 64.8 | 144.6 | 170.3 | -78.2 | 177.5 | 170.5 | -177.2 | -3.5 | 113.9 | ||||
| 603 | W | 22.5 | Very low | 27.7 | Very low | 225 Ų | 225 | 160.8 Ų | 160.8 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | cis | -141 | 152.7 | 23 | -99.9 | -18.5 | 0 | 0 | 0 | 113.9 | ||||
| 604 | S | 22.4 | Very low | 27.6 | Very low | 95 Ų | 95 | 154.2 Ų | 154.2 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | 25.8 | 111.7 | 126.6 | -167.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 605 | V | 26.2 | Very low | 27.7 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | 71.9 | 135.2 | 123.9 | -179.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 606 | Q | 25.8 | Very low | 27.6 | Very low | 157 Ų | 157 | 157 Ų | 157 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 101.3 | 126.7 | 153.6 | -135.9 | 76.6 | 12.1 | 0 | 0 | 120.8 | ||||
| 607 | T | 26.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 162 Ų | 162 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | 59 | 112.3 | 148.1 | 42 | 0 | 0 | 0 | 0 | 120 | ||||
| 608 | L | 26.1 | Very low | 27.3 | Very low | 142 Ų | 142 | 161.1 Ų | 161.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | 88.3 | 130.9 | 76.8 | -80.4 | 172.2 | 0 | 0 | 0 | 114 | |||||
| 609 | H | 26.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 162.1 Ų | 162.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 26.4 | 124.5 | 162.5 | -58.6 | -72 | 0 | 0 | 0 | 119 | ||||
| 610 | D | 24.9 | Very low | 27.3 | Very low | 156 Ų | 156 | 166.4 Ų | 166.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | -176.9 | 162.2 | 65.1 | -109.9 | -30.4 | 0 | 0 | 0 | 113.7 | |||||
| 611 | W | 23.5 | Very low | 27.4 | Very low | 234 Ų | 234 | 171.2 Ų | 171.2 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -79.9 | 154.6 | 157.9 | -107.8 | -47.7 | 0 | 0 | 0 | 108.9 | ||||
| 612 | P | 40.3 | Very low | 27.3 | Very low | 101 Ų | 101 | 167.7 Ų | 167.7 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | -164.9 | 173.4 | 64.4 | 44.3 | -22.3 | 0 | 0 | 0 | 120.8 | |||||
| 613 | K | 24.8 | Very low | 27.4 | Very low | 203 Ų | 203 | 160.5 Ų | 160.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 71.2 | 143.3 | 138.5 | -78.2 | 159.8 | -167.9 | 170.3 | 0 | 122.7 | ||||
| 614 | S | 30.5 | Very low | 27.7 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -97.7 | 159.3 | -178.5 | 59.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 615 | R | 29.8 | Very low | 28.2 | Very low | 230 Ų | 230 | 159.1 Ų | 159.1 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 160 | 152.8 | 146.5 | -91.5 | 169.6 | -153.6 | -154.7 | 6.4 | 107.3 | ||||
| 616 | R | 27.4 | Very low | 28.5 | Very low | 204 Ų | 204 | 164.6 Ų | 164.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | 178.9 | 137.6 | -1.6 | 162.7 | -161.1 | -148.3 | -173.4 | 7.8 | 106 | ||||
| 617 | F | 26.1 | Very low | 28.7 | Very low | 215 Ų | 215 | 162.2 Ų | 162.2 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -152.2 | 156.2 | 150.5 | -118.2 | -80.1 | 0 | 0 | 0 | 111.9 | ||||
| 618 | K | 28.2 | Very low | 29 | Very low | 166 Ų | 166 | 162.5 Ų | 162.5 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -141.7 | 135.7 | -160.6 | -133.4 | -161.4 | -177.8 | -172.4 | 0 | 111.2 | ||||
| 619 | T | 30.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 166.8 Ų | 166.8 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 64.3 | 155.3 | 152 | 51.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 620 | K | 28.4 | Very low | 29.8 | Very low | 184 Ų | 184 | 164.3 Ų | 164.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | cis | -156.6 | 136.4 | 16.2 | -152.6 | 172.6 | 172.5 | -168 | 0 | 111.7 | ||||
| 621 | R | 29.2 | Very low | 30.5 | Very low | 213 Ų | 213 | 164.5 Ų | 164.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 25.1 | 145.1 | 135.9 | -111.4 | -170.5 | -165.5 | -175.4 | 6.1 | 119.9 | ||||
| 622 | E | 28.8 | Very low | 31.4 | Very low | 166 Ų | 166 | 162.9 Ų | 162.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | cis | -137.5 | 176.6 | 15.7 | -81.2 | 161.5 | -149.9 | 0 | 0 | 110 | ||||
| 623 | G | 27.3 | Very low | 31.7 | Very low | 71 Ų | 71 | 164.9 Ų | 164.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | cis | -174.9 | -153.7 | 6.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 624 | A | 27.9 | Very low | 32.8 | Very low | 102 Ų | 102 | 159.6 Ų | 159.6 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 46.1 | 83.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 625 | E | 34.1 | Very low | 34.1 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 34.5 | 100 | 142.9 | -58.4 | -169.7 | 167 | 0 | 0 | 121.1 | ||||
| 626 | Y | 31.2 | Very low | 35.5 | Very low | 233 Ų | 233 | 152.7 Ų | 152.7 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | -126.2 | 120.2 | 137.1 | -126.9 | -97.4 | 0 | 0 | 0 | 109.2 | ||||
| 627 | S | 30.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -70 | 134.6 | -175.6 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | R629 | S627-R629 PolarHBondContact O-N 3.08Å; S627-R629 VanDerWaalsContact O-N 3.13Å | ||
| 628 | S | 33.1 | Very low | 39.4 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -60.9 | 113.5 | 173.5 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | P630 | S628-P630 WeakPolarHBondContact O-CD 3.33Š| ||
| 629 | R | 33.6 | Very low | 41.7 | Very low | 232 Ų | 232 | 136.2 Ų | 136.2 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | trans | -67 | 115.4 | 167.3 | -71.8 | -174.5 | 177.3 | -173.9 | 0.5 | 107.9 | S627 I631 | S627-R629 PolarHBondContact O-N 3.08Å; S627-R629 VanDerWaalsContact O-N 3.13Å; R629-I631 PolarHBondContact O-N 2.98Å | ||
| 630 | P | 35.4 | Very low | 43.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 137.3 | 178.2 | 28.3 | -33.6 | 0 | 0 | 0 | 109.6 | S628 K632 | S628-P630 WeakPolarHBondContact O-CD 3.33Å; P630-K632 PolarHBondContact O-N 3.14Å; P630-K632 VanDerWaalsContact O-N 3.12Å |
| 631 | I | 39.5 | Very low | 45.9 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 82% | 0.821 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 117.4 | 165.1 | -63.3 | 167.3 | 0 | 0 | 0 | 106.5 | R629 L633 | R629-I631 PolarHBondContact O-N 2.98Å; I631-L633 PolarHBondContact O-N 3.31Å |
| 632 | K | 41.1 | Very low | 48.1 | Very low | 200 Ų | 200 | 123.3 Ų | 123.3 | 87% | 0.87 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.3 | -176 | -73.1 | -174.7 | 176.6 | -179.1 | 0 | 109.4 | P630 A634 | P630-K632 PolarHBondContact O-N 3.14Å; P630-K632 VanDerWaalsContact O-N 3.12Å; K632-A634 PolarHBondContact O-N 3.04Å |
| 633 | L | 46.6 | Very low | 49.9 | Very low | 144 Ų | 144 | 116 Ų | 116 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.2 | -175.4 | -87.9 | 75.8 | 0 | 0 | 0 | 112.6 | I631 | I631-L633 PolarHBondContact O-N 3.31Š|
| 634 | A | 49.9 | Very low | 51.7 | Low | 91 Ų | 91 | 117.7 Ų | 117.7 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K632 | K632-A634 PolarHBondContact O-N 3.04Š|
| 635 | G | 56.1 | Low | 53.6 | Low | 39 Ų | 39 | 119.2 Ų | 119.2 | 40% | 0.402 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 140.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V637 | G635-V637 PolarHBondContact O-N 3.3Š|
| 636 | K | 59.6 | Low | 55.5 | Low | 151 Ų | 151 | 113.3 Ų | 113.3 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 116.1 | -179.9 | -172.4 | 179.5 | -177.4 | -177.1 | 0 | 109.5 | T525 I638 | T525-K636 PolarHBondContact N-O 2.92Å; T525-K636 PolarHBondContact OG1-O 3.01Å; K636-I638 HydrophobicContact CG-CG1 4.41Å |
| 637 | V | 65.5 | Low | 57.6 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.7 | 167.2 | -168.4 | 0 | 0 | 0 | 0 | 107.7 | V522 F524 G635 | V522-V637 HydrophobicContact CG1-CG1 3.98Å; F524-V637 HydrophobicContact CD1-CB 4.45Å; F524-V637 HydrophobicContact CD1-CG1 4.36Å; F524-V637 HydrophobicContact CD1-CG2 3.86Å; F524-V637 HydrophobicContact CE1-CG1 4.15Å; F524-V637 HydrophobicContact CE1-CG2 3.79Å; G635-V637 PolarHBondContact O-N 3.3Å |
| 638 | I | 70.9 | Confident | 60.1 | Low | 44 Ų | 44 | 100.5 Ų | 100.5 | 23% | 0.226 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.7 | 173.8 | -54.3 | -172.8 | 0 | 0 | 0 | 107.6 | Y523 T525 K636 | Y523-I638 HydrophobicContact CD1-CB 4.15Å; Y523-I638 HydrophobicContact CD1-CG2 4.32Å; Y523-I638 HydrophobicContact CD2-CB 4.49Å; Y523-I638 HydrophobicContact CE1-CB 3.75Å; Y523-I638 HydrophobicContact CE1-CG2 3.54Å; Y523-I638 HydrophobicContact CE2-CB 4.14Å; Y523-I638 HydrophobicContact CE2-CD1 4Å; Y523-I638 HydrophobicContact CE2-CG1 4.47Å; Y523-I638 HydrophobicContact CE2-CG2 4.5Å; Y523-I638 PolarHBondContact N-O 3.17Å; Y523-I638 PolarHBondContact O-N 3.24Å; Y523-I638 VanDerWaalsContact O-O 3.06Å; T525-I638 HydrophobicContact CG2-CD1 3.48Å; T525-I638 VanDerWaalsContact CG2-CD1 3.48Å; T525-I638 HydrophobicContact CG2-CG1 4.16Å; K636-I638 HydrophobicContact CG-CG1 4.41Å |
| 639 | I | 75.8 | Confident | 62.6 | Low | 116 Ų | 116 | 97.5 Ų | 97.5 | 60% | 0.595 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.7 | 170.8 | -56 | 178.6 | 0 | 0 | 0 | 104.9 | C520 V522 | C520-I639 HydrophobicContact CB-CG2 3.81Å; V522-I639 HydrophobicContact CG1-CG1 4.3Å; V522-I639 HydrophobicContact CG2-CG1 4.22Å; V522-I639 HydrophobicContact CG2-CG2 4.36Å |
| 640 | Q | 74.7 | Confident | 65 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.2 | 179.1 | -175.1 | 167.9 | 3 | 0 | 0 | 108.9 | C520 L521 Y523 | C520-Q640 CarbonylContact C-O 3.51Å; C520-Q640 WeakPolarHBondContact CA-O 3.5Å; L521-Q640 PolarHBondContact N-O 2.96Å; L521-Q640 PolarHBondContact O-N 3.45Å; Y523-Q640 HydrophobicContact CE1-CB 4.18Å |
| 641 | E | 72.8 | Confident | 67.4 | Low | 134 Ų | 134 | 86.6 Ų | 86.6 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.8 | 173.6 | -169.6 | 171.6 | 179.4 | 0 | 0 | 109.8 | S643 | E641-S643 VanDerWaalsContact CG-OG 3.23Å; E641-S643 WeakPolarHBondContact CG-OG 3.45Å; E641-S643 WeakPolarHBondContact OE1-CB 3.38Å; E641-S643 PolarHBondContact OE1-OG 2.95Å |
| 642 | I | 75.2 | Confident | 69.7 | Low | 11 Ų | 11 | 79 Ų | 79 | 6% | 0.056 | 43% | 0.43 | C | S | . | . | trans | -124.1 | 20.7 | 177.5 | 66.4 | 122.8 | 0 | 0 | 0 | 111.6 | F515 G519 L521 C644 L645 L646 | F515-I642 HydrophobicContact CD1-CD1 3.33Å; F515-I642 HydrophobicContact CD1-CG1 3.96Å; F515-I642 HydrophobicContact CE1-CD1 3.51Å; F515-I642 HydrophobicContact CE1-CG1 4.2Å; F515-I642 HydrophobicContact CG-CD1 4.35Å; G519-I642 CarbonylContact O-C 3.47Å; G519-I642 WeakPolarHBondContact O-CG1 3.1Å; G519-I642 PolarHBondContact O-N 2.83Å; L521-I642 HydrophobicContact CB-CG1 4.45Å; L521-I642 HydrophobicContact CB-CG2 3.67Å; L521-I642 HydrophobicContact CD2-CG2 4.5Å; I642-C644 PolarHBondContact O-N 3.48Å; I642-L645 HydrophobicContact CB-CB 4.48Å; I642-L645 HydrophobicContact CB-CD1 4.23Å; I642-L645 HydrophobicContact CG2-CD1 4.37Å; I642-L645 PolarHBondContact O-N 3.48Å; I642-L646 HydrophobicContact CD1-CD1 4.18Å; I642-L646 HydrophobicContact CD1-CD2 4.07Å; I642-L646 HydrophobicContact CD1-CG 3.95Å | ||
| 643 | S | 66.3 | Low | 71.9 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -52.4 | -27.2 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | G519 E641 L645 | G519-S643 PolarHBondContact O-N 3.35Å; E641-S643 VanDerWaalsContact CG-OG 3.23Å; E641-S643 WeakPolarHBondContact CG-OG 3.45Å; E641-S643 WeakPolarHBondContact OE1-CB 3.38Å; E641-S643 PolarHBondContact OE1-OG 2.95Å; S643-L645 VanDerWaalsContact C-N 3.33Å |
| 644 | C | 65.4 | Low | 74 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 72% | 0.723 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -74.9 | -13 | 174.6 | 59 | 0 | 0 | 0 | 0 | 115.4 | I642 | I642-C644 PolarHBondContact O-N 3.48Š|
| 645 | L | 68.9 | Low | 75.9 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 71% | 0.707 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -101.4 | -3.6 | 178 | -59.6 | -178.8 | 0 | 0 | 0 | 112.9 | I642 S643 | I642-L645 HydrophobicContact CB-CB 4.48Å; I642-L645 HydrophobicContact CB-CD1 4.23Å; I642-L645 HydrophobicContact CG2-CD1 4.37Å; I642-L645 PolarHBondContact O-N 3.48Å; S643-L645 VanDerWaalsContact C-N 3.33Å |
| 646 | L | 73.8 | Confident | 77.6 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.335 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -103.6 | 143.6 | 178.1 | -61.7 | 178.3 | 0 | 0 | 0 | 109.9 | I642 V648 | I642-L646 HydrophobicContact CD1-CD1 4.18Å; I642-L646 HydrophobicContact CD1-CD2 4.07Å; I642-L646 HydrophobicContact CD1-CG 3.95Å; L646-V648 HydrophobicContact CB-CG2 4.3Å; L646-V648 PolarHBondContact O-N 3.43Å |
| 647 | P | 74.8 | Confident | 79 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -58.8 | -34.3 | 173 | -24.9 | 34.3 | 0 | 0 | 0 | 112.7 | R679 D731 | P647-R679 PolarHBondContact O-NH1 2.88Å; P647-D731 HydrophobicContact CB-CB 3.86Å |
| 648 | V | 82.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | trans | -86.7 | 133.2 | -177.8 | -55.5 | 0 | 0 | 0 | 0 | 112 | L646 Q733 I853 W857 | L646-V648 HydrophobicContact CB-CG2 4.3Å; L646-V648 PolarHBondContact O-N 3.43Å; V648-Q733 HydrophobicContact CB-CB 4.12Å; V648-Q733 HydrophobicContact CG1-CB 3.68Å; V648-I853 HydrophobicContact CG1-CD1 4.41Å; V648-W857 HydrophobicContact CB-CH2 4.16Å; V648-W857 HydrophobicContact CG2-CH2 4.21Å; V648-W857 HydrophobicContact CG2-CZ2 4.14Å | ||
| 649 | H | 84.9 | Confident | 80.4 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.222 | 31% | 0.309 | C | S | . | . | trans | -124.2 | 122.4 | -173.2 | -147.3 | -87.7 | 0 | 0 | 0 | 111.8 | A651 L652 G653 V677 Q733 | H649-A651 PolarHBondContact O-N 3.21Å; H649-L652 HydrophobicContact CB-CB 4.27Å; H649-L652 HydrophobicContact CB-CD1 3.88Å; H649-L652 HydrophobicContact CB-CG 3.99Å; H649-L652 PolarHBondContact O-N 3.13Å; H649-L652 VanDerWaalsContact O-N 3.12Å; H649-G653 PolarHBondContact O-N 2.83Å; H649-G653 VanDerWaalsContact O-N 3.16Å; H649-V677 VanDerWaalsContact CE1-CG1 3.4Å; H649-V677 WeakPolarHBondContact CE1-CG1 3.25Å; H649-V677 WeakPolarHBondContact ND1-CG1 3.3Å; H649-Q733 PolarHBondContact O-NE2 3.46Å; H649-Q733 VanDerWaalsContact O-NE2 3.15Å; H649-Q733 PolarHBondContact O-OE1 2.91Å | ||
| 650 | K | 85.3 | Confident | 80 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 32% | 0.317 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | -177 | -174.1 | 175.3 | -176 | -95.7 | 0 | 112.5 | L652 G653 E654 W857 | K650-L652 PolarHBondContact O-N 3.5Å; K650-G653 WeakPolarHBondContact O-CA 3.27Å; K650-G653 PolarHBondContact O-N 2.82Å; K650-E654 WeakPolarHBondContact CE-OE1 3.44Å; K650-E654 IonicContact NZ-OE1 2.65Å; K650-E654 PolarHBondContact NZ-OE1 2.81Å; K650-E654 PolarHBondContact O-N 3.1Å; K650-W857 HydrophobicContact CB-CD2 4.03Å; K650-W857 HydrophobicContact CB-CE3 4.28Å; K650-W857 HydrophobicContact CB-CH2 4.36Å; K650-W857 HydrophobicContact CB-CZ2 4.08Å; K650-W857 HydrophobicContact CB-CZ3 4.45Å; K650-W857 HydrophobicContact CD-CB 4.26Å; K650-W857 HydrophobicContact CD-CD2 4.34Å; K650-W857 HydrophobicContact CD-CG 3.96Å; K650-W857 HydrophobicContact CG-CB 4.35Å; K650-W857 HydrophobicContact CG-CD2 3.84Å; K650-W857 HydrophobicContact CG-CE3 4.12Å; K650-W857 HydrophobicContact CG-CG 3.95Å |
| 651 | A | 85.8 | Confident | 80.1 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -29.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H649 S655 V677 | H649-A651 PolarHBondContact O-N 3.21Å; A651-S655 WeakPolarHBondContact O-CB 3.4Å; A651-S655 PolarHBondContact O-N 2.67Å; A651-S655 VanDerWaalsContact O-N 3.11Å; A651-S655 PolarHBondContact O-OG 3.38Å; A651-V677 HydrophobicContact CB-CG2 3.97Å |
| 652 | L | 87.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.5 | -36.3 | 171.9 | -63.5 | 178 | 0 | 0 | 0 | 111.3 | H649 K650 E654 S655 Y656 A673 V677 R679 L682 | H649-L652 HydrophobicContact CB-CB 4.27Å; H649-L652 HydrophobicContact CB-CD1 3.88Å; H649-L652 HydrophobicContact CB-CG 3.99Å; H649-L652 PolarHBondContact O-N 3.13Å; H649-L652 VanDerWaalsContact O-N 3.12Å; K650-L652 PolarHBondContact O-N 3.5Å; L652-E654 VanDerWaalsContact C-N 3.27Å; L652-E654 PolarHBondContact O-N 2.88Å; L652-S655 WeakPolarHBondContact CA-OG 3.23Å; L652-S655 PolarHBondContact O-N 3.14Å; L652-Y656 HydrophobicContact CB-CD1 4.39Å; L652-Y656 HydrophobicContact CB-CD2 4.35Å; L652-Y656 HydrophobicContact CB-CE1 4.14Å; L652-Y656 HydrophobicContact CB-CE2 4.09Å; L652-Y656 HydrophobicContact CD2-CD1 4.46Å; L652-Y656 HydrophobicContact CD2-CE1 3.77Å; L652-Y656 HydrophobicContact CG-CE1 4.4Å; L652-Y656 WeakPolarHBondContact O-CB 3.43Å; L652-Y656 PolarHBondContact O-N 2.95Å; L652-A673 WeakPolarHBondContact CD2-O 3.44Å; L652-V677 HydrophobicContact CD1-CG1 4.48Å; L652-V677 HydrophobicContact CD2-CB 3.87Å; L652-V677 HydrophobicContact CD2-CG1 4.27Å; L652-V677 HydrophobicContact CD2-CG2 3.64Å; L652-V677 HydrophobicContact CG-CB 4.32Å; L652-V677 HydrophobicContact CG-CG1 4.17Å; L652-V677 HydrophobicContact CG-CG2 4.15Å; L652-R679 HydrophobicContact CD1-CG 4.46Å; L652-L682 HydrophobicContact CD1-CD1 3.77Å |
| 653 | G | 87 | Confident | 80.7 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -30.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H649 K650 Y850 K862 | H649-G653 PolarHBondContact O-N 2.83Å; H649-G653 VanDerWaalsContact O-N 3.16Å; K650-G653 WeakPolarHBondContact O-CA 3.27Å; K650-G653 PolarHBondContact O-N 2.82Å; G653-Y850 WeakPolarHBondContact CA-OH 3.5Å; G653-K862 WeakPolarHBondContact O-CG 3.47Å |
| 654 | E | 90.1 | Very high | 81.5 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.9 | -42.6 | 174.7 | -69.1 | 168.6 | 174.4 | 0 | 0 | 112.1 | K650 L652 L859 K862 | K650-E654 WeakPolarHBondContact CE-OE1 3.44Å; K650-E654 IonicContact NZ-OE1 2.65Å; K650-E654 PolarHBondContact NZ-OE1 2.81Å; K650-E654 PolarHBondContact O-N 3.1Å; L652-E654 VanDerWaalsContact C-N 3.27Å; L652-E654 PolarHBondContact O-N 2.88Å; E654-L859 HydrophobicContact CG-CD1 3.72Å; E654-L859 HydrophobicContact CG-CD2 3.84Å; E654-L859 HydrophobicContact CG-CG 4.45Å; E654-K862 WeakPolarHBondContact O-CE 3.3Å; E654-K862 PolarHBondContact O-NZ 3.35Å |
| 655 | S | 90.1 | Very high | 82.5 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -88 | -26.1 | -174.6 | 53.4 | 0 | 0 | 0 | 0 | 115 | A651 L652 A673 | A651-S655 WeakPolarHBondContact O-CB 3.4Å; A651-S655 PolarHBondContact O-N 2.67Å; A651-S655 VanDerWaalsContact O-N 3.11Å; A651-S655 PolarHBondContact O-OG 3.38Å; L652-S655 WeakPolarHBondContact CA-OG 3.23Å; L652-S655 PolarHBondContact O-N 3.14Å; S655-A673 WeakPolarHBondContact OG-CB 3.34Å |
| 656 | Y | 91.8 | Very high | 83.4 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | trans | -66 | 141.9 | 179.9 | -77.7 | -4.1 | 0 | 0 | 0 | 112.8 | L652 N670 A673 W686 M737 K862 | L652-Y656 HydrophobicContact CB-CD1 4.39Å; L652-Y656 HydrophobicContact CB-CD2 4.35Å; L652-Y656 HydrophobicContact CB-CE1 4.14Å; L652-Y656 HydrophobicContact CB-CE2 4.09Å; L652-Y656 HydrophobicContact CD2-CD1 4.46Å; L652-Y656 HydrophobicContact CD2-CE1 3.77Å; L652-Y656 HydrophobicContact CG-CE1 4.4Å; L652-Y656 WeakPolarHBondContact O-CB 3.43Å; L652-Y656 PolarHBondContact O-N 2.95Å; Y656-N670 WeakPolarHBondContact CA-OD1 3.33Å; Y656-N670 HydrophobicContact CD1-CB 3.99Å; Y656-N670 HydrophobicContact CE1-CB 4.04Å; Y656-N670 WeakPolarHBondContact CE1-O 3.35Å; Y656-A673 HydrophobicContact CD1-CB 4.11Å; Y656-A673 HydrophobicContact CE1-CB 4.15Å; Y656-W686 HydrophobicContact CD2-CZ2 4.45Å; Y656-W686 AromaticContact CE1-NE1 3.88Å; Y656-W686 HydrophobicContact CE2-CZ2 4.11Å; Y656-W686 AromaticContact CZ-NE1 3.39Å; Y656-W686 PolarHBondContact OH-NE1 3.5Å; Y656-M737 HydrophobicContact CD2-CE 3.83Å; Y656-M737 HydrophobicContact CD2-CG 3.83Å; Y656-M737 HydrophobicContact CD2-SD 4.07Å; Y656-M737 HydrophobicContact CE2-CG 4.19Å; Y656-M737 HydrophobicContact CG-CE 4.11Å; Y656-K862 PolarHBondContact O-NZ 2.94Å | ||
| 657 | I | 89.3 | Confident | 84.1 | Confident | 73 Ų | 73 | 47.5 Ų | 47.5 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -122.5 | 145.3 | -177.7 | -60.4 | 168.4 | 0 | 0 | 0 | 108.4 | N659 M666 K669 N670 | I657-N659 HydrophobicContact CG2-CB 4.29Å; I657-M666 WeakPolarHBondContact O-CG 3.32Å; I657-K669 HydrophobicContact CD1-CD 4.21Å; I657-N670 PolarHBondContact N-OD1 3.37Å; I657-N670 PolarHBondContact O-ND2 3.46Å | ||
| 658 | L | 85.2 | Confident | 84.8 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | trans | -121.7 | 97.5 | 168.9 | -70.2 | 171.4 | 0 | 0 | 0 | 107.8 | M666 M737 V741 V866 F869 | L658-M666 HydrophobicContact CD2-SD 4.19Å; L658-M737 HydrophobicContact CD1-CE 4.45Å; L658-M737 HydrophobicContact CD1-SD 4.25Å; L658-M737 HydrophobicContact CD2-CE 3.53Å; L658-M737 HydrophobicContact CD2-SD 4.21Å; L658-M737 HydrophobicContact CG-CE 3.83Å; L658-M737 HydrophobicContact CG-SD 4.28Å; L658-V741 HydrophobicContact CD2-CG2 4.32Å; L658-V866 HydrophobicContact CD1-CG2 3.95Å; L658-F869 HydrophobicContact CB-CE2 3.76Å; L658-F869 HydrophobicContact CB-CZ 4.29Å; L658-F869 HydrophobicContact CD1-CD2 3.78Å; L658-F869 HydrophobicContact CD1-CE2 3.69Å; L658-F869 HydrophobicContact CG-CE2 4.28Å | ||
| 659 | N | 79.8 | Confident | 85.2 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | -112.2 | 122.8 | 176.6 | -176.6 | 9.8 | 0 | 0 | 0 | 109.2 | I657 N661 M666 | I657-N659 HydrophobicContact CG2-CB 4.29Å; N659-N661 PolarHBondContact OD1-N 3.43Å; N659-M666 HydrophobicContact CB-CB 4.44Å; N659-M666 WeakPolarHBondContact O-CE 3.31Å | ||
| 660 | M | 67.6 | Low | 85.6 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -82.9 | -14.7 | 180 | -70.3 | -75.9 | 112.1 | 0 | 0 | 113.2 | F869 | M660-F869 HydrophobicContact CE-CD1 4.16Å; M660-F869 HydrophobicContact CE-CE1 3.49Å; M660-F869 VanDerWaalsContact CE-CE1 3.49Å; M660-F869 HydrophobicContact CE-CZ 3.82Å; M660-F869 HydrophobicContact CG-CE1 3.73Å; M660-F869 HydrophobicContact CG-CZ 3.99Å; M660-F869 HydrophobicContact SD-CD1 4.42Å; M660-F869 HydrophobicContact SD-CE1 3.62Å; M660-F869 HydrophobicContact SD-CZ 4.31Å |
| 661 | N | 76.6 | Confident | 85.9 | Confident | 154 Ų | 154 | 49 Ų | 49 | 82% | 0.824 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -87.1 | -25 | -174.1 | -60.9 | -6.2 | 0 | 0 | 0 | 112.9 | N659 | N659-N661 PolarHBondContact OD1-N 3.43Š|
| 662 | D | 80.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | trans | -146.3 | 102.5 | 176.3 | -170.7 | -24.8 | 0 | 0 | 0 | 109.3 | Q664 E665 M666 | D662-Q664 PolarHBondContact OD1-N 3.27Å; D662-Q664 VanDerWaalsContact OD1-N 3.09Å; D662-E665 HydrophobicContact CB-CB 4.09Å; D662-E665 WeakPolarHBondContact OD1-CB 3.36Å; D662-E665 PolarHBondContact OD1-N 3.43Å; D662-E665 WeakPolarHBondContact OD2-CB 3.47Å; D662-M666 VanDerWaalsContact O-CB 3.28Å; D662-M666 WeakPolarHBondContact O-CB 3.36Å; D662-M666 PolarHBondContact O-N 3.26Å | ||
| 663 | I | 81.4 | Confident | 86.4 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -79.8 | -30.6 | -177.4 | -56.1 | 170.2 | 0 | 0 | 0 | 111 | M666 C667 T693 V741 | I663-M666 HydrophobicContact CG2-CE 4.37Å; I663-C667 WeakPolarHBondContact O-CB 3.42Å; I663-C667 PolarHBondContact O-N 3.48Å; I663-C667 PolarHBondContact O-SG 3.27Å; I663-T693 HydrophobicContact CG2-CG2 3.87Å; I663-V741 HydrophobicContact CG2-CG1 3.69Å |
| 664 | Q | 82.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.8 | -48.3 | 179.4 | -64.4 | -172.1 | 13.4 | 0 | 0 | 110.5 | D662 M666 C667 Q668 | D662-Q664 PolarHBondContact OD1-N 3.27Å; D662-Q664 VanDerWaalsContact OD1-N 3.09Å; Q664-M666 VanDerWaalsContact C-N 3.29Å; Q664-M666 PolarHBondContact O-N 3.38Å; Q664-C667 PolarHBondContact O-N 2.89Å; Q664-Q668 VanDerWaalsContact O-CG 3.3Å; Q664-Q668 WeakPolarHBondContact O-CG 3.35Å; Q664-Q668 PolarHBondContact O-N 2.9Å |
| 665 | E | 86.1 | Confident | 86.6 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 176 | -163.1 | -149.1 | -154.7 | 0 | 0 | 111.2 | D662 Q668 K669 | D662-E665 HydrophobicContact CB-CB 4.09Å; D662-E665 WeakPolarHBondContact OD1-CB 3.36Å; D662-E665 PolarHBondContact OD1-N 3.43Å; D662-E665 WeakPolarHBondContact OD2-CB 3.47Å; E665-Q668 PolarHBondContact O-N 3.14Å; E665-K669 HydrophobicContact CG-CD 4.23Å; E665-K669 WeakPolarHBondContact O-CB 3.2Å; E665-K669 VanDerWaalsContact O-CG 3.3Å; E665-K669 WeakPolarHBondContact O-CG 3.28Å; E665-K669 PolarHBondContact O-N 3.11Å; E665-K669 VanDerWaalsContact OE1-CE 3.24Å; E665-K669 WeakPolarHBondContact OE1-CE 3.16Å; E665-K669 IonicContact OE1-NZ 2.6Å; E665-K669 PolarHBondContact OE1-NZ 3.11Å; E665-K669 WeakPolarHBondContact OE2-CE 3.17Å; E665-K669 IonicContact OE2-NZ 2.78Å; E665-K669 PolarHBondContact OE2-NZ 3.49Å |
| 666 | M | 88.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 172.8 | -172.1 | -127.4 | -60.7 | 0 | 0 | 111.9 | I657 L658 N659 D662 I663 Q664 K669 N670 W686 V741 | I657-M666 WeakPolarHBondContact O-CG 3.32Å; L658-M666 HydrophobicContact CD2-SD 4.19Å; N659-M666 HydrophobicContact CB-CB 4.44Å; N659-M666 WeakPolarHBondContact O-CE 3.31Å; D662-M666 VanDerWaalsContact O-CB 3.28Å; D662-M666 WeakPolarHBondContact O-CB 3.36Å; D662-M666 PolarHBondContact O-N 3.26Å; I663-M666 HydrophobicContact CG2-CE 4.37Å; Q664-M666 VanDerWaalsContact C-N 3.29Å; Q664-M666 PolarHBondContact O-N 3.38Å; M666-K669 PolarHBondContact O-N 3.39Å; M666-N670 WeakPolarHBondContact O-CB 3.22Å; M666-N670 VanDerWaalsContact O-CG 3.22Å; M666-N670 PolarHBondContact O-N 3.4Å; M666-N670 PolarHBondContact O-ND2 2.79Å; M666-W686 HydrophobicContact SD-CZ3 4.49Å; M666-V741 HydrophobicContact CE-CG1 4.49Å; M666-V741 HydrophobicContact CE-CG2 4.09Å; M666-V741 HydrophobicContact SD-CG2 3.79Å |
| 667 | C | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 178.3 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | I663 Q664 N670 A671 W686 | I663-C667 WeakPolarHBondContact O-CB 3.42Å; I663-C667 PolarHBondContact O-N 3.48Å; I663-C667 PolarHBondContact O-SG 3.27Å; Q664-C667 PolarHBondContact O-N 2.89Å; C667-N670 PolarHBondContact O-N 2.86Å; C667-A671 VanDerWaalsContact O-CB 3.31Å; C667-A671 WeakPolarHBondContact O-CB 3.05Å; C667-A671 PolarHBondContact O-N 2.81Å; C667-W686 HydrophobicContact CB-CE3 4.11Å |
| 668 | Q | 89.4 | Confident | 86 | Confident | 119 Ų | 119 | 53.9 Ų | 53.9 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 175.6 | -70.5 | 174.8 | 23.4 | 0 | 0 | 112.2 | Q664 E665 A671 A672 | Q664-Q668 VanDerWaalsContact O-CG 3.3Å; Q664-Q668 WeakPolarHBondContact O-CG 3.35Å; Q664-Q668 PolarHBondContact O-N 2.9Å; E665-Q668 PolarHBondContact O-N 3.14Å; Q668-A671 WeakPolarHBondContact O-CB 3.31Å; Q668-A671 PolarHBondContact O-N 3.31Å; Q668-A672 WeakPolarHBondContact O-CB 3.45Å; Q668-A672 PolarHBondContact O-N 3.36Å |
| 669 | K | 90.6 | Very high | 86 | Confident | 91 Ų | 91 | 55 Ų | 55 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.7 | -74.6 | 171.8 | 179.5 | 171.3 | 0 | 111.8 | I657 E665 M666 A672 A673 | I657-K669 HydrophobicContact CD1-CD 4.21Å; E665-K669 HydrophobicContact CG-CD 4.23Å; E665-K669 WeakPolarHBondContact O-CB 3.2Å; E665-K669 VanDerWaalsContact O-CG 3.3Å; E665-K669 WeakPolarHBondContact O-CG 3.28Å; E665-K669 PolarHBondContact O-N 3.11Å; E665-K669 VanDerWaalsContact OE1-CE 3.24Å; E665-K669 WeakPolarHBondContact OE1-CE 3.16Å; E665-K669 IonicContact OE1-NZ 2.6Å; E665-K669 PolarHBondContact OE1-NZ 3.11Å; E665-K669 WeakPolarHBondContact OE2-CE 3.17Å; E665-K669 IonicContact OE2-NZ 2.78Å; E665-K669 PolarHBondContact OE2-NZ 3.49Å; M666-K669 PolarHBondContact O-N 3.39Å; K669-A672 PolarHBondContact O-N 3.13Å; K669-A673 WeakPolarHBondContact O-CB 3.41Å; K669-A673 PolarHBondContact O-N 3.12Å |
| 670 | N | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.1 | -32.4 | 176.7 | -67.6 | -17.2 | 0 | 0 | 0 | 112.2 | Y656 I657 M666 C667 A674 W686 | Y656-N670 WeakPolarHBondContact CA-OD1 3.33Å; Y656-N670 HydrophobicContact CD1-CB 3.99Å; Y656-N670 HydrophobicContact CE1-CB 4.04Å; Y656-N670 WeakPolarHBondContact CE1-O 3.35Å; I657-N670 PolarHBondContact N-OD1 3.37Å; I657-N670 PolarHBondContact O-ND2 3.46Å; M666-N670 WeakPolarHBondContact O-CB 3.22Å; M666-N670 VanDerWaalsContact O-CG 3.22Å; M666-N670 PolarHBondContact O-N 3.4Å; M666-N670 PolarHBondContact O-ND2 2.79Å; C667-N670 PolarHBondContact O-N 2.86Å; N670-A674 WeakPolarHBondContact O-CB 3.25Å; N670-A674 PolarHBondContact O-N 3.23Å; N670-W686 HydrophobicContact CB-CD2 3.58Å; N670-W686 HydrophobicContact CB-CE3 3.93Å; N670-W686 HydrophobicContact CB-CG 4.02Å; N670-W686 HydrophobicContact CB-CH2 4.16Å; N670-W686 HydrophobicContact CB-CZ2 3.83Å; N670-W686 HydrophobicContact CB-CZ3 4.2Å; N670-W686 VanDerWaalsContact ND2-CH2 3.32Å; N670-W686 WeakPolarHBondContact ND2-CH2 3.46Å |
| 671 | A | 91.9 | Very high | 87.5 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | C667 Q668 A674 L675 W686 | C667-A671 VanDerWaalsContact O-CB 3.31Å; C667-A671 WeakPolarHBondContact O-CB 3.05Å; C667-A671 PolarHBondContact O-N 2.81Å; Q668-A671 WeakPolarHBondContact O-CB 3.31Å; Q668-A671 PolarHBondContact O-N 3.31Å; A671-A674 WeakPolarHBondContact O-CB 3.41Å; A671-A674 PolarHBondContact O-N 3.45Å; A671-L675 WeakPolarHBondContact O-CG 3.28Å; A671-L675 PolarHBondContact O-N 3.08Å; A671-W686 HydrophobicContact CB-CB 3.64Å |
| 672 | A | 92.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q668 K669 L675 A676 | Q668-A672 WeakPolarHBondContact O-CB 3.45Å; Q668-A672 PolarHBondContact O-N 3.36Å; K669-A672 PolarHBondContact O-N 3.13Å; A672-L675 PolarHBondContact O-N 3.35Å; A672-A676 WeakPolarHBondContact O-CB 3.49Å; A672-A676 PolarHBondContact O-N 2.88Å |
| 673 | A | 91.6 | Very high | 88.6 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L652 S655 Y656 K669 A676 V677 | L652-A673 WeakPolarHBondContact CD2-O 3.44Å; S655-A673 WeakPolarHBondContact OG-CB 3.34Å; Y656-A673 HydrophobicContact CD1-CB 4.11Å; Y656-A673 HydrophobicContact CE1-CB 4.15Å; K669-A673 WeakPolarHBondContact O-CB 3.41Å; K669-A673 PolarHBondContact O-N 3.12Å; A673-A676 PolarHBondContact O-N 3.39Å; A673-V677 WeakPolarHBondContact O-CG2 3.2Å; A673-V677 PolarHBondContact O-N 3.34Å |
| 674 | A | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N670 A671 V677 G678 R679 L682 A683 | N670-A674 WeakPolarHBondContact O-CB 3.25Å; N670-A674 PolarHBondContact O-N 3.23Å; A671-A674 WeakPolarHBondContact O-CB 3.41Å; A671-A674 PolarHBondContact O-N 3.45Å; A674-V677 PolarHBondContact O-N 3.43Å; A674-G678 PolarHBondContact O-N 2.92Å; A674-R679 PolarHBondContact O-N 3.4Å; A674-L682 HydrophobicContact CB-CB 3.85Å; A674-A683 HydrophobicContact CB-CB 4.17Å |
| 675 | L | 91.5 | Very high | 89.4 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 174.7 | -71.1 | 175.8 | 0 | 0 | 0 | 112.6 | A671 A672 V677 G678 R680 A683 | A671-L675 WeakPolarHBondContact O-CG 3.28Å; A671-L675 PolarHBondContact O-N 3.08Å; A672-L675 PolarHBondContact O-N 3.35Å; L675-V677 PolarHBondContact O-N 2.99Å; L675-G678 WeakPolarHBondContact O-CA 3.44Å; L675-G678 PolarHBondContact O-N 3.01Å; L675-R680 HydrophobicContact CD2-CG 4.03Å; L675-A683 HydrophobicContact CD1-CB 4.36Å; L675-A683 HydrophobicContact CD2-CB 3.44Å; L675-A683 VanDerWaalsContact CD2-CB 3.44Å; L675-A683 HydrophobicContact CG-CB 3.51Å |
| 676 | A | 88.8 | Confident | 89.6 | Confident | 90 Ų | 90 | 51 Ų | 51 | 74% | 0.744 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62 | -30.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A672 A673 | A672-A676 WeakPolarHBondContact O-CB 3.49Å; A672-A676 PolarHBondContact O-N 2.88Å; A673-A676 PolarHBondContact O-N 3.39Å |
| 677 | V | 86.1 | Confident | 89.6 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.6 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | H649 A651 L652 A673 A674 L675 R679 | H649-V677 VanDerWaalsContact CE1-CG1 3.4Å; H649-V677 WeakPolarHBondContact CE1-CG1 3.25Å; H649-V677 WeakPolarHBondContact ND1-CG1 3.3Å; A651-V677 HydrophobicContact CB-CG2 3.97Å; L652-V677 HydrophobicContact CD1-CG1 4.48Å; L652-V677 HydrophobicContact CD2-CB 3.87Å; L652-V677 HydrophobicContact CD2-CG1 4.27Å; L652-V677 HydrophobicContact CD2-CG2 3.64Å; L652-V677 HydrophobicContact CG-CB 4.32Å; L652-V677 HydrophobicContact CG-CG1 4.17Å; L652-V677 HydrophobicContact CG-CG2 4.15Å; A673-V677 WeakPolarHBondContact O-CG2 3.2Å; A673-V677 PolarHBondContact O-N 3.34Å; A674-V677 PolarHBondContact O-N 3.43Å; L675-V677 PolarHBondContact O-N 2.99Å; V677-R679 HydrophobicContact CG1-CG 4.5Å |
| 678 | G | 83.3 | Confident | 89.4 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 0.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A674 L675 R680 | A674-G678 PolarHBondContact O-N 2.92Å; L675-G678 WeakPolarHBondContact O-CA 3.44Å; L675-G678 PolarHBondContact O-N 3.01Å; G678-R680 VanDerWaalsContact C-N 3.3Å; G678-R680 PolarHBondContact O-N 3.46Å |
| 679 | R | 86.1 | Confident | 89.2 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | -80.2 | 72.9 | 176.8 | -70.1 | -68.4 | -63.6 | -87.7 | 0 | 111.3 | P647 L652 A674 V677 D681 L682 A683 D731 | P647-R679 PolarHBondContact O-NH1 2.88Å; L652-R679 HydrophobicContact CD1-CG 4.46Å; A674-R679 PolarHBondContact O-N 3.4Å; V677-R679 HydrophobicContact CG1-CG 4.5Å; R679-D681 VanDerWaalsContact CA-OD1 3.25Å; R679-D681 WeakPolarHBondContact CA-OD1 3.15Å; R679-D681 WeakPolarHBondContact CB-OD1 3.18Å; R679-D681 WeakPolarHBondContact CD-OD1 3.27Å; R679-D681 IonicContact CZ-OD1 2.66Å; R679-D681 IonicContact CZ-OD2 2.63Å; R679-D681 VanDerWaalsContact CZ-OD2 3.32Å; R679-D681 IonicContact NE-OD1 2.65Å; R679-D681 PolarHBondContact NE-OD1 3.35Å; R679-D681 IonicContact NE-OD2 3.43Å; R679-D681 PolarHBondContact NE-OD2 2.83Å; R679-D681 IonicContact NH2-OD2 2.64Å; R679-D681 PolarHBondContact NH2-OD2 2.87Å; R679-D681 PolarHBondContact O-N 3.5Å; R679-L682 HydrophobicContact CB-CB 4.1Å; R679-L682 HydrophobicContact CB-CD1 3.98Å; R679-L682 HydrophobicContact CB-CG 4.11Å; R679-L682 HydrophobicContact CG-CD1 4.17Å; R679-L682 PolarHBondContact O-N 2.95Å; R679-A683 PolarHBondContact O-N 3.06Å; R679-A683 VanDerWaalsContact O-N 3.07Å; R679-D731 IonicContact NH2-OD2 3.3Å | ||
| 680 | R | 88.6 | Confident | 88.9 | Confident | 195 Ų | 195 | 47.8 Ų | 47.8 | 74% | 0.736 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.3 | -23.2 | 176.1 | -71.7 | -177.9 | 171 | -176.4 | -3.1 | 113.6 | L675 G678 K684 | L675-R680 HydrophobicContact CD2-CG 4.03Å; G678-R680 VanDerWaalsContact C-N 3.3Å; G678-R680 PolarHBondContact O-N 3.46Å; R680-K684 WeakPolarHBondContact O-CG 3.41Å; R680-K684 PolarHBondContact O-N 3.02Å |
| 681 | D | 88.3 | Confident | 88.3 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -56.4 | 170.2 | 59.3 | -46.2 | 0 | 0 | 0 | 111 | R679 A683 K684 V685 | R679-D681 VanDerWaalsContact CA-OD1 3.25Å; R679-D681 WeakPolarHBondContact CA-OD1 3.15Å; R679-D681 WeakPolarHBondContact CB-OD1 3.18Å; R679-D681 WeakPolarHBondContact CD-OD1 3.27Å; R679-D681 IonicContact CZ-OD1 2.66Å; R679-D681 IonicContact CZ-OD2 2.63Å; R679-D681 VanDerWaalsContact CZ-OD2 3.32Å; R679-D681 IonicContact NE-OD1 2.65Å; R679-D681 PolarHBondContact NE-OD1 3.35Å; R679-D681 IonicContact NE-OD2 3.43Å; R679-D681 PolarHBondContact NE-OD2 2.83Å; R679-D681 IonicContact NH2-OD2 2.64Å; R679-D681 PolarHBondContact NH2-OD2 2.87Å; R679-D681 PolarHBondContact O-N 3.5Å; D681-A683 VanDerWaalsContact C-N 3.28Å; D681-A683 PolarHBondContact O-N 3.46Å; D681-K684 WeakPolarHBondContact O-CB 3.44Å; D681-K684 PolarHBondContact O-N 2.81Å; D681-K684 VanDerWaalsContact O-N 3.1Å; D681-V685 PolarHBondContact O-N 3.2Å; D681-V685 VanDerWaalsContact O-N 3.11Å |
| 682 | L | 89.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -34.1 | -179.9 | -64.6 | -179.6 | 0 | 0 | 0 | 111.9 | L652 A674 R679 K684 V685 W686 Y726 T734 | L652-L682 HydrophobicContact CD1-CD1 3.77Å; A674-L682 HydrophobicContact CB-CB 3.85Å; R679-L682 HydrophobicContact CB-CB 4.1Å; R679-L682 HydrophobicContact CB-CD1 3.98Å; R679-L682 HydrophobicContact CB-CG 4.11Å; R679-L682 HydrophobicContact CG-CD1 4.17Å; R679-L682 PolarHBondContact O-N 2.95Å; L682-K684 VanDerWaalsContact C-N 3.31Å; L682-K684 PolarHBondContact O-N 3.09Å; L682-V685 PolarHBondContact O-N 3.25Å; L682-V685 VanDerWaalsContact O-N 3.16Å; L682-W686 PolarHBondContact O-N 3.01Å; L682-Y726 HydrophobicContact CD2-CE1 3.89Å; L682-T734 HydrophobicContact CD2-CG2 3.72Å; L682-T734 WeakPolarHBondContact CD2-OG1 3.42Å |
| 683 | A | 90.7 | Very high | 86.5 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | A674 L675 R679 D681 A687 | A674-A683 HydrophobicContact CB-CB 4.17Å; L675-A683 HydrophobicContact CD1-CB 4.36Å; L675-A683 HydrophobicContact CD2-CB 3.44Å; L675-A683 VanDerWaalsContact CD2-CB 3.44Å; L675-A683 HydrophobicContact CG-CB 3.51Å; R679-A683 PolarHBondContact O-N 3.06Å; R679-A683 VanDerWaalsContact O-N 3.07Å; D681-A683 VanDerWaalsContact C-N 3.28Å; D681-A683 PolarHBondContact O-N 3.46Å; A683-A687 PolarHBondContact O-N 3.11Å |
| 684 | K | 90.3 | Very high | 85.4 | Confident | 150 Ų | 150 | 48.2 Ų | 48.2 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | 173.9 | -70.4 | 177 | 179.2 | -172.9 | 0 | 111.7 | R680 D681 L682 A687 L688 | R680-K684 WeakPolarHBondContact O-CG 3.41Å; R680-K684 PolarHBondContact O-N 3.02Å; D681-K684 WeakPolarHBondContact O-CB 3.44Å; D681-K684 PolarHBondContact O-N 2.81Å; D681-K684 VanDerWaalsContact O-N 3.1Å; L682-K684 VanDerWaalsContact C-N 3.31Å; L682-K684 PolarHBondContact O-N 3.09Å; K684-A687 PolarHBondContact O-N 2.74Å; K684-L688 WeakPolarHBondContact O-CG 3.22Å; K684-L688 PolarHBondContact O-N 3.11Å |
| 685 | V | 90.6 | Very high | 83.9 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 177 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | D681 L682 L688 A689 L722 Y726 L738 | D681-V685 PolarHBondContact O-N 3.2Å; D681-V685 VanDerWaalsContact O-N 3.11Å; L682-V685 PolarHBondContact O-N 3.25Å; L682-V685 VanDerWaalsContact O-N 3.16Å; V685-L688 PolarHBondContact O-N 3.44Å; V685-A689 WeakPolarHBondContact O-CB 3.1Å; V685-A689 PolarHBondContact O-N 3.2Å; V685-L722 HydrophobicContact CG1-CD1 4.48Å; V685-L722 HydrophobicContact CG1-CD2 4.41Å; V685-L722 HydrophobicContact CG2-CD2 4.06Å; V685-Y726 HydrophobicContact CG1-CE2 4.23Å; V685-Y726 HydrophobicContact CG2-CE2 3.99Å; V685-Y726 WeakPolarHBondContact CG2-OH 3.47Å; V685-L738 HydrophobicContact CG1-CD1 4.16Å; V685-L738 HydrophobicContact CG1-CD2 4.23Å |
| 686 | W | 90.8 | Very high | 82.2 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.019 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -35 | 172 | -76.6 | 115.2 | 0 | 0 | 0 | 112.9 | Y656 M666 C667 N670 A671 L682 A689 S690 M737 V741 | Y656-W686 HydrophobicContact CD2-CZ2 4.45Å; Y656-W686 AromaticContact CE1-NE1 3.88Å; Y656-W686 HydrophobicContact CE2-CZ2 4.11Å; Y656-W686 AromaticContact CZ-NE1 3.39Å; Y656-W686 PolarHBondContact OH-NE1 3.5Å; M666-W686 HydrophobicContact SD-CZ3 4.49Å; C667-W686 HydrophobicContact CB-CE3 4.11Å; N670-W686 HydrophobicContact CB-CD2 3.58Å; N670-W686 HydrophobicContact CB-CE3 3.93Å; N670-W686 HydrophobicContact CB-CG 4.02Å; N670-W686 HydrophobicContact CB-CH2 4.16Å; N670-W686 HydrophobicContact CB-CZ2 3.83Å; N670-W686 HydrophobicContact CB-CZ3 4.2Å; N670-W686 VanDerWaalsContact ND2-CH2 3.32Å; N670-W686 WeakPolarHBondContact ND2-CH2 3.46Å; A671-W686 HydrophobicContact CB-CB 3.64Å; L682-W686 PolarHBondContact O-N 3.01Å; W686-A689 HydrophobicContact CE3-CB 4.47Å; W686-A689 PolarHBondContact O-N 3.15Å; W686-S690 WeakPolarHBondContact O-CB 3.4Å; W686-S690 PolarHBondContact O-N 3.25Å; W686-M737 HydrophobicContact CH2-CB 4.01Å; W686-M737 HydrophobicContact CH2-CE 3.95Å; W686-M737 HydrophobicContact CZ2-CB 3.9Å; W686-M737 HydrophobicContact CZ2-CE 4.08Å; W686-V741 HydrophobicContact CH2-CG2 3.85Å; W686-V741 HydrophobicContact CZ3-CG2 3.69Å |
| 687 | A | 87.6 | Confident | 80.5 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A683 K684 S690 A691 | A683-A687 PolarHBondContact O-N 3.11Å; K684-A687 PolarHBondContact O-N 2.74Å; A687-S690 WeakPolarHBondContact O-CB 3.34Å; A687-S690 PolarHBondContact O-N 2.83Å; A687-A691 PolarHBondContact O-N 3.06Å |
| 688 | L | 86.3 | Confident | 79 | Confident | 67 Ų | 67 | 59 Ų | 59 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 173 | -73.1 | 169.6 | 0 | 0 | 0 | 111.8 | K684 V685 A691 A692 | K684-L688 WeakPolarHBondContact O-CG 3.22Å; K684-L688 PolarHBondContact O-N 3.11Å; V685-L688 PolarHBondContact O-N 3.44Å; L688-A691 PolarHBondContact O-N 3.15Å; L688-A692 WeakPolarHBondContact O-CB 3.26Å; L688-A692 PolarHBondContact O-N 2.96Å |
| 689 | A | 84.3 | Confident | 77.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V685 W686 A691 A692 T693 L738 F742 | V685-A689 WeakPolarHBondContact O-CB 3.1Å; V685-A689 PolarHBondContact O-N 3.2Å; W686-A689 HydrophobicContact CE3-CB 4.47Å; W686-A689 PolarHBondContact O-N 3.15Å; A689-A691 VanDerWaalsContact C-N 3.35Å; A689-A691 PolarHBondContact O-N 3.22Å; A689-A692 PolarHBondContact O-N 2.85Å; A689-T693 PolarHBondContact O-N 3.22Å; A689-T693 PolarHBondContact O-OG1 3.41Å; A689-L738 HydrophobicContact CB-CD2 4.32Å; A689-F742 HydrophobicContact CB-CE2 3.93Å; A689-F742 HydrophobicContact CB-CZ 3.8Å |
| 690 | S | 85.1 | Confident | 75.8 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 174.4 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | W686 A687 T693 S694 | W686-S690 WeakPolarHBondContact O-CB 3.4Å; W686-S690 PolarHBondContact O-N 3.25Å; A687-S690 WeakPolarHBondContact O-CB 3.34Å; A687-S690 PolarHBondContact O-N 2.83Å; S690-T693 CarbonylContact O-C 3.57Å; S690-T693 PolarHBondContact O-N 2.69Å; S690-T693 PolarHBondContact O-OG1 3.37Å; S690-S694 PolarHBondContact O-N 3.47Å; S690-S694 VanDerWaalsContact O-N 3.14Å |
| 691 | A | 79.3 | Confident | 73.8 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A687 L688 A689 T693 S694 | A687-A691 PolarHBondContact O-N 3.06Å; L688-A691 PolarHBondContact O-N 3.15Å; A689-A691 VanDerWaalsContact C-N 3.35Å; A689-A691 PolarHBondContact O-N 3.22Å; A691-T693 PolarHBondContact O-N 3.47Å; A691-T693 VanDerWaalsContact O-N 3.15Å; A691-S694 WeakPolarHBondContact O-CB 3.23Å; A691-S694 PolarHBondContact O-N 2.7Å; A691-S694 PolarHBondContact O-OG 3.05Å |
| 692 | A | 76 | Confident | 72.1 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -19 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L688 A689 W709 F742 | L688-A692 WeakPolarHBondContact O-CB 3.26Å; L688-A692 PolarHBondContact O-N 2.96Å; A689-A692 PolarHBondContact O-N 2.85Å; A692-W709 PolarHBondContact O-NE1 3.48Å; A692-F742 HydrophobicContact CB-CE1 4.11Å; A692-F742 HydrophobicContact CB-CZ 4.18Å |
| 693 | T | 72.1 | Confident | 70.2 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 7.8 | 173.8 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | I663 A689 S690 A691 F742 | I663-T693 HydrophobicContact CG2-CG2 3.87Å; A689-T693 PolarHBondContact O-N 3.22Å; A689-T693 PolarHBondContact O-OG1 3.41Å; S690-T693 CarbonylContact O-C 3.57Å; S690-T693 PolarHBondContact O-N 2.69Å; S690-T693 PolarHBondContact O-OG1 3.37Å; A691-T693 PolarHBondContact O-N 3.47Å; A691-T693 VanDerWaalsContact O-N 3.15Å; T693-F742 HydrophobicContact CG2-CD1 4.21Å; T693-F742 HydrophobicContact CG2-CE1 3.47Å; T693-F742 VanDerWaalsContact CG2-CE1 3.47Å; T693-F742 HydrophobicContact CG2-CZ 4.11Å |
| 694 | S | 68.5 | Low | 68.4 | Low | 17 Ų | 17 | 70.6 Ų | 70.6 | 12% | 0.119 | 40% | 0.403 | C | S | . | . | trans | -79.1 | 131.3 | -180 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | S690 A691 D696 L697 S698 | S690-S694 PolarHBondContact O-N 3.47Å; S690-S694 VanDerWaalsContact O-N 3.14Å; A691-S694 WeakPolarHBondContact O-CB 3.23Å; A691-S694 PolarHBondContact O-N 2.7Å; A691-S694 PolarHBondContact O-OG 3.05Å; S694-D696 VanDerWaalsContact C-N 3.26Å; S694-D696 PolarHBondContact O-N 2.86Å; S694-L697 PolarHBondContact O-N 2.85Å; S694-L697 WeakPolarHBondContact OG-CD1 3.46Å; S694-L697 WeakPolarHBondContact OG-CG 3.47Å; S694-S698 PolarHBondContact O-N 2.96Å | ||
| 695 | Q | 58.4 | Low | 66.7 | Low | 160 Ų | 160 | 68.1 Ų | 68.1 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.8 | -177 | -141.2 | 164.1 | -0.6 | 0 | 0 | 111.8 | L697 S698 | Q695-L697 PolarHBondContact O-N 3.05Å; Q695-S698 WeakPolarHBondContact CA-OG 3.4Å; Q695-S698 PolarHBondContact O-N 3.4Å; Q695-S698 PolarHBondContact O-OG 2.86Å |
| 696 | D | 55.5 | Low | 65.2 | Low | 152 Ų | 152 | 73.6 Ų | 73.6 | 81% | 0.813 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.7 | 174.1 | -45.5 | -54.5 | 0 | 0 | 0 | 113.3 | S694 | S694-D696 VanDerWaalsContact C-N 3.26Å; S694-D696 PolarHBondContact O-N 2.86Å |
| 697 | L | 53.9 | Low | 63.7 | Low | 95 Ų | 95 | 77.6 Ų | 77.6 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -111.6 | -8.6 | 175.2 | -64.8 | 178.9 | 0 | 0 | 0 | 113 | S694 Q695 W709 | S694-L697 PolarHBondContact O-N 2.85Å; S694-L697 WeakPolarHBondContact OG-CD1 3.46Å; S694-L697 WeakPolarHBondContact OG-CG 3.47Å; Q695-L697 PolarHBondContact O-N 3.05Å; L697-W709 HydrophobicContact CB-CH2 3.56Å; L697-W709 HydrophobicContact CB-CZ2 4.12Å; L697-W709 HydrophobicContact CB-CZ3 3.96Å; L697-W709 HydrophobicContact CD1-CH2 4.23Å; L697-W709 HydrophobicContact CG-CH2 4.5Å; L697-W709 WeakPolarHBondContact O-CZ3 3.41Å |
| 698 | S | 52.9 | Low | 62.7 | Low | 50 Ų | 50 | 77.1 Ų | 77.1 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -72.8 | 130.2 | 169.8 | 53 | 0 | 0 | 0 | 0 | 109.4 | S694 Q695 | S694-S698 PolarHBondContact O-N 2.96Å; Q695-S698 WeakPolarHBondContact CA-OG 3.4Å; Q695-S698 PolarHBondContact O-N 3.4Å; Q695-S698 PolarHBondContact O-OG 2.86Å |
| 699 | P | 51.3 | Low | 61.8 | Low | 36 Ų | 36 | 75.7 Ų | 75.7 | 23% | 0.234 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 154.5 | 174.5 | -15.8 | 25.1 | 0 | 0 | 0 | 111.2 | E706 T707 | P699-E706 HydrophobicContact CB-CB 3.85Å; P699-E706 WeakPolarHBondContact CB-OE2 3.18Å; P699-T707 WeakPolarHBondContact CG-O 3.42Å |
| 700 | D | 50.8 | Low | 61 | Low | 132 Ų | 132 | 76 Ų | 76 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 162.1 | -178.9 | -148.5 | -20 | 0 | 0 | 0 | 111.9 | D702 | D700-D702 PolarHBondContact O-N 3.04Š|
| 701 | S | 47.8 | Very low | 60.2 | Low | 119 Ų | 119 | 83.2 Ų | 83.2 | 83% | 0.832 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -68.8 | -2.9 | -165.3 | -55.1 | 0 | 0 | 0 | 0 | 115 | ||
| 702 | D | 51.4 | Low | 59.9 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 47% | 0.465 | 46% | 0.458 | S | S | . | . | trans | -91 | 112.9 | -174.6 | -170.1 | -13 | 0 | 0 | 0 | 110.7 | D700 D704 T705 | D700-D702 PolarHBondContact O-N 3.04Å; D702-D704 PolarHBondContact O-N 2.88Å; D702-D704 VanDerWaalsContact O-N 3.11Å; D702-D704 PolarHBondContact OD1-N 2.66Å; D702-T705 PolarHBondContact O-OG1 2.78Å | ||
| 703 | P | 51.3 | Low | 59.7 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.5 | -170 | 28.2 | -36.9 | 0 | 0 | 0 | 115.2 | ||
| 704 | D | 53 | Low | 59.7 | Low | 152 Ų | 152 | 92 Ų | 92 | 81% | 0.813 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -4.8 | -173.5 | -72.1 | -26.2 | 0 | 0 | 0 | 114.3 | D702 | D702-D704 PolarHBondContact O-N 2.88Å; D702-D704 VanDerWaalsContact O-N 3.11Å; D702-D704 PolarHBondContact OD1-N 2.66Å |
| 705 | T | 54.4 | Low | 60 | Low | 98 Ų | 98 | 91.2 Ų | 91.2 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -28.1 | -173.4 | 35.1 | 0 | 0 | 0 | 0 | 116.5 | D702 | D702-T705 PolarHBondContact O-OG1 2.78Š|
| 706 | E | 57.4 | Low | 60.9 | Low | 127 Ų | 127 | 85.9 Ų | 85.9 | 59% | 0.593 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -141.6 | 160.9 | -176.5 | -69.5 | -162 | 158.2 | 0 | 0 | 115.5 | P699 | P699-E706 HydrophobicContact CB-CB 3.85Å; P699-E706 WeakPolarHBondContact CB-OE2 3.18Å |
| 707 | T | 60.8 | Low | 62.1 | Low | 89 Ų | 89 | 84.3 Ų | 84.3 | 55% | 0.546 | 45% | 0.45 | S | S | . | . | trans | -62.4 | 125.9 | 178.3 | 1.4 | 0 | 0 | 0 | 0 | 112 | P699 W709 | P699-T707 WeakPolarHBondContact CG-O 3.42Å; T707-W709 PolarHBondContact O-N 3.47Å | ||
| 708 | P | 65.3 | Low | 63.6 | Low | 45 Ų | 45 | 81.4 Ų | 81.4 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | trans | -55.9 | 138.2 | 179.5 | -26.9 | 33.5 | 0 | 0 | 0 | 113.2 | A710 R711 H712 N831 | P708-A710 VanDerWaalsContact C-N 3.25Å; P708-A710 PolarHBondContact O-N 2.67Å; P708-A710 VanDerWaalsContact O-N 3.09Å; P708-R711 WeakPolarHBondContact O-CA 3.25Å; P708-R711 WeakPolarHBondContact O-CB 3.49Å; P708-R711 PolarHBondContact O-N 3.3Å; P708-H712 PolarHBondContact O-N 3.21Å; P708-N831 HydrophobicContact CB-CB 3.86Å; P708-N831 HydrophobicContact CG-CB 4.16Å | ||
| 709 | W | 69 | Low | 65 | Low | 38 Ų | 38 | 79.2 Ų | 79.2 | 14% | 0.144 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -52.7 | -37.9 | -173.8 | -173.7 | -128.6 | 0 | 0 | 0 | 114 | A692 L697 T707 R711 H712 F714 | A692-W709 PolarHBondContact O-NE1 3.48Å; L697-W709 HydrophobicContact CB-CH2 3.56Å; L697-W709 HydrophobicContact CB-CZ2 4.12Å; L697-W709 HydrophobicContact CB-CZ3 3.96Å; L697-W709 HydrophobicContact CD1-CH2 4.23Å; L697-W709 HydrophobicContact CG-CH2 4.5Å; L697-W709 WeakPolarHBondContact O-CZ3 3.41Å; T707-W709 PolarHBondContact O-N 3.47Å; W709-R711 PolarHBondContact O-N 3.1Å; W709-H712 HydrophobicContact CE3-CB 3.87Å; W709-H712 AromaticContact CE3-ND1 3.71Å; W709-H712 AromaticContact CH2-ND1 3.63Å; W709-H712 HydrophobicContact CZ3-CB 4.14Å; W709-H712 AromaticContact CZ3-CE1 3.69Å; W709-H712 AromaticContact CZ3-CG 3.77Å; W709-H712 AromaticContact CZ3-ND1 3.04Å; W709-H712 WeakPolarHBondContact CZ3-ND1 3.36Å; W709-H712 VanDerWaalsContact O-CB 3.31Å; W709-H712 WeakPolarHBondContact O-CB 3.04Å; W709-H712 PolarHBondContact O-N 3.47Å; W709-H712 VanDerWaalsContact O-N 3.13Å; W709-F714 HydrophobicContact CH2-CB 4.27Å |
| 710 | A | 67.3 | Low | 66.6 | Low | 7 Ų | 7 | 81 Ų | 81 | 6% | 0.058 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -64.1 | -25.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P708 R716 N831 | P708-A710 VanDerWaalsContact C-N 3.25Å; P708-A710 PolarHBondContact O-N 2.67Å; P708-A710 VanDerWaalsContact O-N 3.09Å; A710-R716 WeakPolarHBondContact O-CB 3.5Å; A710-R716 PolarHBondContact O-N 3.42Å; A710-N831 WeakPolarHBondContact CB-O 3.38Å |
| 711 | R | 68.6 | Low | 68.3 | Low | 171 Ų | 171 | 78.3 Ų | 78.3 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -88.2 | -11.1 | 176.7 | -63.8 | -177.7 | 65.5 | -175.4 | 0.2 | 113.4 | P708 W709 N831 | P708-R711 WeakPolarHBondContact O-CA 3.25Å; P708-R711 WeakPolarHBondContact O-CB 3.49Å; P708-R711 PolarHBondContact O-N 3.3Å; W709-R711 PolarHBondContact O-N 3.1Å; R711-N831 WeakPolarHBondContact CD-OD1 3.04Å |
| 712 | H | 72.4 | Confident | 70.1 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 31% | 0.31 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -68.2 | 145.1 | 173.4 | -170.6 | -122.2 | 0 | 0 | 0 | 110.1 | P708 W709 F714 G715 | P708-H712 PolarHBondContact O-N 3.21Å; W709-H712 HydrophobicContact CE3-CB 3.87Å; W709-H712 AromaticContact CE3-ND1 3.71Å; W709-H712 AromaticContact CH2-ND1 3.63Å; W709-H712 HydrophobicContact CZ3-CB 4.14Å; W709-H712 AromaticContact CZ3-CE1 3.69Å; W709-H712 AromaticContact CZ3-CG 3.77Å; W709-H712 AromaticContact CZ3-ND1 3.04Å; W709-H712 WeakPolarHBondContact CZ3-ND1 3.36Å; W709-H712 VanDerWaalsContact O-CB 3.31Å; W709-H712 WeakPolarHBondContact O-CB 3.04Å; W709-H712 PolarHBondContact O-N 3.47Å; W709-H712 VanDerWaalsContact O-N 3.13Å; H712-F714 AromaticContact CE1-CD2 3.51Å; H712-F714 AromaticContact ND1-CD2 3.92Å; H712-F714 PolarHBondContact O-N 3.16Å; H712-F714 VanDerWaalsContact O-N 3.12Å; H712-G715 WeakPolarHBondContact O-CA 3.4Å; H712-G715 PolarHBondContact O-N 3.13Å |
| 713 | P | 71.8 | Confident | 71.9 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -57.6 | -29.5 | -178.7 | -28.3 | 37.1 | 0 | 0 | 0 | 114.3 | G715 L718 | P713-G715 VanDerWaalsContact C-N 3.35Å; P713-L718 WeakPolarHBondContact O-CB 3.49Å; P713-L718 PolarHBondContact O-N 3.15Å |
| 714 | F | 71.6 | Confident | 73.6 | Confident | 117 Ų | 117 | 70.7 Ų | 70.7 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -85.9 | -2.3 | 176.3 | -64.1 | -91.7 | 0 | 0 | 0 | 114.2 | W709 H712 L718 | W709-F714 HydrophobicContact CH2-CB 4.27Å; H712-F714 AromaticContact CE1-CD2 3.51Å; H712-F714 AromaticContact ND1-CD2 3.92Å; H712-F714 PolarHBondContact O-N 3.16Å; H712-F714 VanDerWaalsContact O-N 3.12Å; F714-L718 HydrophobicContact CB-CD2 4.36Å; F714-L718 HydrophobicContact CD1-CD2 4.14Å |
| 715 | G | 74.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -86.6 | -118.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H712 P713 H717 L719 | H712-G715 WeakPolarHBondContact O-CA 3.4Å; H712-G715 PolarHBondContact O-N 3.13Å; P713-G715 VanDerWaalsContact C-N 3.35Å; G715-H717 PolarHBondContact O-N 3.47Å; G715-L719 PolarHBondContact O-N 2.87Å |
| 716 | R | 79.1 | Confident | 77 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 18% | 0.181 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -58.8 | -45.3 | -175.7 | 179.6 | 178.4 | -64.8 | 167.5 | 0.3 | 112.6 | A710 L718 L719 E720 M830 R833 | A710-R716 WeakPolarHBondContact O-CB 3.5Å; A710-R716 PolarHBondContact O-N 3.42Å; R716-L718 VanDerWaalsContact C-N 3.34Å; R716-L718 PolarHBondContact O-N 3.29Å; R716-L719 PolarHBondContact O-N 3.03Å; R716-L719 VanDerWaalsContact O-N 3.08Å; R716-E720 VanDerWaalsContact CD-OE1 3.23Å; R716-E720 WeakPolarHBondContact CD-OE1 3.48Å; R716-E720 VanDerWaalsContact CG-CD 3.48Å; R716-E720 HydrophobicContact CG-CG 4.01Å; R716-E720 VanDerWaalsContact CG-OE1 3.27Å; R716-E720 WeakPolarHBondContact CG-OE1 3.19Å; R716-E720 WeakPolarHBondContact O-CG 3.26Å; R716-E720 PolarHBondContact O-N 3.37Å; R716-M830 PolarHBondContact NH2-O 2.73Å; R716-R833 PolarHBondContact NE-O 3.17Å; R716-R833 PolarHBondContact NH2-O 3.3Å |
| 717 | H | 80.4 | Confident | 78.5 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -63.2 | -38.2 | -172.7 | -172.6 | 52.5 | 0 | 0 | 0 | 113 | G715 T721 | G715-H717 PolarHBondContact O-N 3.47Å; H717-T721 WeakPolarHBondContact O-CB 3.22Å; H717-T721 PolarHBondContact O-N 2.75Å; H717-T721 PolarHBondContact O-OG1 3.24Å |
| 718 | L | 84.1 | Confident | 79.8 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 172.6 | 175.8 | 62.7 | 0 | 0 | 0 | 111.7 | P713 F714 R716 T721 L722 | P713-L718 WeakPolarHBondContact O-CB 3.49Å; P713-L718 PolarHBondContact O-N 3.15Å; F714-L718 HydrophobicContact CB-CD2 4.36Å; F714-L718 HydrophobicContact CD1-CD2 4.14Å; R716-L718 VanDerWaalsContact C-N 3.34Å; R716-L718 PolarHBondContact O-N 3.29Å; L718-T721 PolarHBondContact O-N 3.05Å; L718-L722 HydrophobicContact CD1-CD1 4.11Å; L718-L722 HydrophobicContact CD1-CG 4.28Å; L718-L722 HydrophobicContact CG-CD1 4.03Å; L718-L722 WeakPolarHBondContact O-CB 3.08Å; L718-L722 VanDerWaalsContact O-CG 3.28Å; L718-L722 WeakPolarHBondContact O-CG 3.48Å; L718-L722 PolarHBondContact O-N 2.94Å |
| 719 | L | 83.1 | Confident | 80.7 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -41.6 | -179.2 | -65.6 | 173.6 | 0 | 0 | 0 | 112.2 | G715 R716 L722 L723 F742 L834 L835 | G715-L719 PolarHBondContact O-N 2.87Å; R716-L719 PolarHBondContact O-N 3.03Å; R716-L719 VanDerWaalsContact O-N 3.08Å; L719-L722 PolarHBondContact O-N 2.9Å; L719-L723 WeakPolarHBondContact O-CB 3.42Å; L719-L723 VanDerWaalsContact O-CG 3.25Å; L719-L723 WeakPolarHBondContact O-CG 3.39Å; L719-L723 PolarHBondContact O-N 2.69Å; L719-F742 HydrophobicContact CD1-CD1 3.71Å; L719-F742 HydrophobicContact CD1-CD2 4.18Å; L719-F742 HydrophobicContact CD1-CE1 3.86Å; L719-F742 HydrophobicContact CD1-CE2 4.35Å; L719-F742 HydrophobicContact CD1-CG 3.88Å; L719-F742 HydrophobicContact CD1-CZ 4.2Å; L719-F742 HydrophobicContact CD2-CD2 3.88Å; L719-F742 HydrophobicContact CD2-CE1 4.15Å; L719-F742 HydrophobicContact CD2-CE2 3.47Å; L719-F742 VanDerWaalsContact CD2-CE2 3.47Å; L719-F742 HydrophobicContact CD2-CG 4.41Å; L719-F742 HydrophobicContact CD2-CZ 3.63Å; L719-L834 HydrophobicContact CD1-CB 3.78Å; L719-L834 HydrophobicContact CD1-CD1 4.32Å; L719-L834 HydrophobicContact CD1-CD2 4.39Å; L719-L834 HydrophobicContact CD1-CG 4.39Å; L719-L835 HydrophobicContact CB-CD2 4.36Å |
| 720 | E | 84.3 | Confident | 81.5 | Confident | 74 Ų | 74 | 67 Ų | 67 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 171.9 | -72.8 | 171.7 | 165.4 | 0 | 0 | 110.9 | R716 L722 L723 D724 | R716-E720 VanDerWaalsContact CD-OE1 3.23Å; R716-E720 WeakPolarHBondContact CD-OE1 3.48Å; R716-E720 VanDerWaalsContact CG-CD 3.48Å; R716-E720 HydrophobicContact CG-CG 4.01Å; R716-E720 VanDerWaalsContact CG-OE1 3.27Å; R716-E720 WeakPolarHBondContact CG-OE1 3.19Å; R716-E720 WeakPolarHBondContact O-CG 3.26Å; R716-E720 PolarHBondContact O-N 3.37Å; E720-L722 VanDerWaalsContact C-N 3.34Å; E720-L722 PolarHBondContact O-N 3.06Å; E720-L723 PolarHBondContact O-N 3.33Å; E720-D724 WeakPolarHBondContact O-CB 3.38Å; E720-D724 PolarHBondContact O-N 3.26Å |
| 721 | T | 86.4 | Confident | 82.5 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | H717 L718 H725 | H717-T721 WeakPolarHBondContact O-CB 3.22Å; H717-T721 PolarHBondContact O-N 2.75Å; H717-T721 PolarHBondContact O-OG1 3.24Å; L718-T721 PolarHBondContact O-N 3.05Å; T721-H725 WeakPolarHBondContact O-CB 3.44Å; T721-H725 PolarHBondContact O-N 3.22Å |
| 722 | L | 86.6 | Confident | 83.6 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 174.9 | -74.6 | 169.6 | 0 | 0 | 0 | 111.8 | V685 L718 L719 E720 H725 Y726 | V685-L722 HydrophobicContact CG1-CD1 4.48Å; V685-L722 HydrophobicContact CG1-CD2 4.41Å; V685-L722 HydrophobicContact CG2-CD2 4.06Å; L718-L722 HydrophobicContact CD1-CD1 4.11Å; L718-L722 HydrophobicContact CD1-CG 4.28Å; L718-L722 HydrophobicContact CG-CD1 4.03Å; L718-L722 WeakPolarHBondContact O-CB 3.08Å; L718-L722 VanDerWaalsContact O-CG 3.28Å; L718-L722 WeakPolarHBondContact O-CG 3.48Å; L718-L722 PolarHBondContact O-N 2.94Å; L719-L722 PolarHBondContact O-N 2.9Å; E720-L722 VanDerWaalsContact C-N 3.34Å; E720-L722 PolarHBondContact O-N 3.06Å; L722-H725 PolarHBondContact O-N 2.92Å; L722-Y726 HydrophobicContact CD2-CE2 4.49Å; L722-Y726 VanDerWaalsContact O-CD2 3.25Å; L722-Y726 WeakPolarHBondContact O-CD2 3.38Å; L722-Y726 PolarHBondContact O-N 2.94Å |
| 723 | L | 88 | Confident | 84.5 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.4 | -70.4 | 174.2 | 0 | 0 | 0 | 111.3 | L719 E720 H725 Y726 S727 L735 L738 L835 F843 | L719-L723 WeakPolarHBondContact O-CB 3.42Å; L719-L723 VanDerWaalsContact O-CG 3.25Å; L719-L723 WeakPolarHBondContact O-CG 3.39Å; L719-L723 PolarHBondContact O-N 2.69Å; E720-L723 PolarHBondContact O-N 3.33Å; L723-H725 PolarHBondContact O-N 3.19Å; L723-Y726 PolarHBondContact O-N 3.41Å; L723-S727 WeakPolarHBondContact O-CB 3.45Å; L723-S727 PolarHBondContact O-N 2.85Å; L723-L735 HydrophobicContact CB-CD2 4.33Å; L723-L735 HydrophobicContact CD2-CD2 3.72Å; L723-L735 VanDerWaalsContact O-CD2 3.3Å; L723-L735 WeakPolarHBondContact O-CD2 3.39Å; L723-L738 HydrophobicContact CD2-CB 4.12Å; L723-L738 HydrophobicContact CD2-CD1 4.44Å; L723-L835 HydrophobicContact CD1-CD2 3.81Å; L723-F843 HydrophobicContact CD1-CE1 3.94Å; L723-F843 HydrophobicContact CD1-CZ 4.3Å |
| 724 | D | 87.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 53.4 Ų | 53.4 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175 | -87 | -14.8 | 0 | 0 | 0 | 112.3 | E720 S727 Q728 | E720-D724 WeakPolarHBondContact O-CB 3.38Å; E720-D724 PolarHBondContact O-N 3.26Å; D724-S727 WeakPolarHBondContact O-CB 3.38Å; D724-S727 PolarHBondContact O-N 2.87Å; D724-Q728 WeakPolarHBondContact O-CG 3.47Å; D724-Q728 PolarHBondContact O-N 3.33Å |
| 725 | H | 90 | Very high | 86.3 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -49.9 | 175.8 | 179.5 | 63.2 | 0 | 0 | 0 | 112.1 | T721 L722 L723 S727 Q728 M729 | T721-H725 WeakPolarHBondContact O-CB 3.44Å; T721-H725 PolarHBondContact O-N 3.22Å; L722-H725 PolarHBondContact O-N 2.92Å; L723-H725 PolarHBondContact O-N 3.19Å; H725-S727 VanDerWaalsContact C-N 3.32Å; H725-S727 PolarHBondContact O-N 3.22Å; H725-Q728 PolarHBondContact O-N 3.15Å; H725-M729 WeakPolarHBondContact NE2-CE 3.47Å; H725-M729 PolarHBondContact O-N 3.38Å; H725-M729 VanDerWaalsContact O-N 3.11Å |
| 726 | Y | 89.6 | Confident | 87 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.1 | -24.5 | 178 | -74.5 | -69.7 | 0 | 0 | 0 | 113.2 | L682 V685 L722 L723 M729 S730 D731 T734 L738 | L682-Y726 HydrophobicContact CD2-CE1 3.89Å; V685-Y726 HydrophobicContact CG1-CE2 4.23Å; V685-Y726 HydrophobicContact CG2-CE2 3.99Å; V685-Y726 WeakPolarHBondContact CG2-OH 3.47Å; L722-Y726 HydrophobicContact CD2-CE2 4.49Å; L722-Y726 VanDerWaalsContact O-CD2 3.25Å; L722-Y726 WeakPolarHBondContact O-CD2 3.38Å; L722-Y726 PolarHBondContact O-N 2.94Å; L723-Y726 PolarHBondContact O-N 3.41Å; Y726-M729 HydrophobicContact CD1-CE 3.34Å; Y726-M729 HydrophobicContact CE1-CE 3.31Å; Y726-M729 HydrophobicContact CG-CE 4.21Å; Y726-M729 CarbonylContact O-C 3.59Å; Y726-M729 PolarHBondContact O-N 3.39Å; Y726-S730 PolarHBondContact O-N 3.43Å; Y726-D731 HydrophobicContact CD1-CB 3.8Å; Y726-D731 PolarHBondContact O-N 2.94Å; Y726-T734 HydrophobicContact CD1-CG2 3.92Å; Y726-T734 HydrophobicContact CD2-CG2 3.8Å; Y726-T734 HydrophobicContact CE1-CG2 4Å; Y726-T734 HydrophobicContact CE2-CG2 3.9Å; Y726-T734 HydrophobicContact CG-CG2 3.84Å; Y726-L738 HydrophobicContact CD2-CD1 4.5Å |
| 727 | S | 88.4 | Confident | 87.6 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 170 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | L723 D724 H725 M729 S730 | L723-S727 WeakPolarHBondContact O-CB 3.45Å; L723-S727 PolarHBondContact O-N 2.85Å; D724-S727 WeakPolarHBondContact O-CB 3.38Å; D724-S727 PolarHBondContact O-N 2.87Å; H725-S727 VanDerWaalsContact C-N 3.32Å; H725-S727 PolarHBondContact O-N 3.22Å; S727-M729 VanDerWaalsContact C-N 3.31Å; S727-M729 PolarHBondContact O-N 3.01Å; S727-S730 PolarHBondContact O-N 3Å |
| 728 | Q | 88.3 | Confident | 88 | Confident | 161 Ų | 161 | 40.4 Ų | 40.4 | 75% | 0.752 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61.1 | -38.9 | 174.2 | -70.2 | 174 | 28.2 | 0 | 0 | 112.2 | D724 H725 S730 | D724-Q728 WeakPolarHBondContact O-CG 3.47Å; D724-Q728 PolarHBondContact O-N 3.33Å; H725-Q728 PolarHBondContact O-N 3.15Å; Q728-S730 VanDerWaalsContact C-N 3.26Å; Q728-S730 PolarHBondContact O-N 3.1Å |
| 729 | M | 83.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 41% | 0.414 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.1 | 174.3 | -64.6 | -164.8 | -59.9 | 0 | 0 | 114.5 | H725 Y726 S727 D731 | H725-M729 WeakPolarHBondContact NE2-CE 3.47Å; H725-M729 PolarHBondContact O-N 3.38Å; H725-M729 VanDerWaalsContact O-N 3.11Å; Y726-M729 HydrophobicContact CD1-CE 3.34Å; Y726-M729 HydrophobicContact CE1-CE 3.31Å; Y726-M729 HydrophobicContact CG-CE 4.21Å; Y726-M729 CarbonylContact O-C 3.59Å; Y726-M729 PolarHBondContact O-N 3.39Å; S727-M729 VanDerWaalsContact C-N 3.31Å; S727-M729 PolarHBondContact O-N 3.01Å; M729-D731 PolarHBondContact O-N 3.39Å |
| 730 | S | 85.9 | Confident | 88.3 | Confident | 85 Ų | 85 | 38.6 Ų | 38.6 | 59% | 0.594 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.7 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 114.6 | Y726 S727 Q728 V732 | Y726-S730 PolarHBondContact O-N 3.43Å; S727-S730 PolarHBondContact O-N 3Å; Q728-S730 VanDerWaalsContact C-N 3.26Å; Q728-S730 PolarHBondContact O-N 3.1Å; S730-V732 PolarHBondContact O-N 3.48Å |
| 731 | D | 88.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | trans | -83.4 | 79.2 | 176.9 | -171.2 | -11.3 | 0 | 0 | 0 | 111.3 | P647 R679 Y726 M729 Q733 T734 L735 | P647-D731 HydrophobicContact CB-CB 3.86Å; R679-D731 IonicContact NH2-OD2 3.3Å; Y726-D731 HydrophobicContact CD1-CB 3.8Å; Y726-D731 PolarHBondContact O-N 2.94Å; M729-D731 PolarHBondContact O-N 3.39Å; D731-Q733 PolarHBondContact O-N 3.28Å; D731-Q733 PolarHBondContact OD1-N 3.18Å; D731-T734 PolarHBondContact O-N 2.67Å; D731-T734 PolarHBondContact OD1-N 3.27Å; D731-T734 PolarHBondContact OD1-OG1 3.27Å; D731-T734 WeakPolarHBondContact OD2-CB 3.32Å; D731-T734 PolarHBondContact OD2-OG1 2.85Å; D731-L735 WeakPolarHBondContact O-CB 3.25Å; D731-L735 WeakPolarHBondContact O-CD1 3.38Å; D731-L735 VanDerWaalsContact O-CG 3.22Å; D731-L735 WeakPolarHBondContact O-CG 3.5Å; D731-L735 PolarHBondContact O-N 3.49Å | ||
| 732 | V | 90.6 | Very high | 87.8 | Confident | 34 Ų | 34 | 32.6 Ų | 32.6 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -28.5 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | S730 A736 | S730-V732 PolarHBondContact O-N 3.48Å; V732-A736 WeakPolarHBondContact O-CB 3.36Å; V732-A736 PolarHBondContact O-N 3.34Å |
| 733 | Q | 91.1 | Very high | 87 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -52.2 | 178.4 | 173.1 | 170.5 | 39.9 | 0 | 0 | 110.7 | V648 H649 D731 L735 A736 M737 Y850 | V648-Q733 HydrophobicContact CB-CB 4.12Å; V648-Q733 HydrophobicContact CG1-CB 3.68Å; H649-Q733 PolarHBondContact O-NE2 3.46Å; H649-Q733 VanDerWaalsContact O-NE2 3.15Å; H649-Q733 PolarHBondContact O-OE1 2.91Å; D731-Q733 PolarHBondContact O-N 3.28Å; D731-Q733 PolarHBondContact OD1-N 3.18Å; Q733-L735 VanDerWaalsContact C-N 3.35Å; Q733-L735 PolarHBondContact O-N 3.2Å; Q733-A736 PolarHBondContact O-N 3.44Å; Q733-M737 VanDerWaalsContact O-CG 3.27Å; Q733-M737 WeakPolarHBondContact O-CG 3.43Å; Q733-M737 PolarHBondContact O-N 3.31Å; Q733-M737 VanDerWaalsContact O-N 3.07Å; Q733-Y850 HydrophobicContact CB-CD2 3.99Å; Q733-Y850 HydrophobicContact CB-CE2 3.79Å; Q733-Y850 HydrophobicContact CG-CD2 4.25Å; Q733-Y850 HydrophobicContact CG-CE1 4.38Å; Q733-Y850 HydrophobicContact CG-CE2 3.57Å; Q733-Y850 PolarHBondContact NE2-OH 3.49Å |
| 734 | T | 90.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 179.8 | -59 | 0 | 0 | 0 | 0 | 111.1 | L682 Y726 D731 M737 L738 | L682-T734 HydrophobicContact CD2-CG2 3.72Å; L682-T734 WeakPolarHBondContact CD2-OG1 3.42Å; Y726-T734 HydrophobicContact CD1-CG2 3.92Å; Y726-T734 HydrophobicContact CD2-CG2 3.8Å; Y726-T734 HydrophobicContact CE1-CG2 4Å; Y726-T734 HydrophobicContact CE2-CG2 3.9Å; Y726-T734 HydrophobicContact CG-CG2 3.84Å; D731-T734 PolarHBondContact O-N 2.67Å; D731-T734 PolarHBondContact OD1-N 3.27Å; D731-T734 PolarHBondContact OD1-OG1 3.27Å; D731-T734 WeakPolarHBondContact OD2-CB 3.32Å; D731-T734 PolarHBondContact OD2-OG1 2.85Å; T734-M737 PolarHBondContact O-N 2.91Å; T734-L738 HydrophobicContact CG2-CD1 3.97Å; T734-L738 HydrophobicContact CG2-CG 4.42Å; T734-L738 WeakPolarHBondContact O-CG 3.47Å; T734-L738 PolarHBondContact O-N 3.37Å |
| 735 | L | 90.9 | Very high | 83.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -51.6 | 174.4 | -69.6 | 168.3 | 0 | 0 | 0 | 112.6 | L723 D731 Q733 M737 L738 C739 F846 | L723-L735 HydrophobicContact CB-CD2 4.33Å; L723-L735 HydrophobicContact CD2-CD2 3.72Å; L723-L735 VanDerWaalsContact O-CD2 3.3Å; L723-L735 WeakPolarHBondContact O-CD2 3.39Å; D731-L735 WeakPolarHBondContact O-CB 3.25Å; D731-L735 WeakPolarHBondContact O-CD1 3.38Å; D731-L735 VanDerWaalsContact O-CG 3.22Å; D731-L735 WeakPolarHBondContact O-CG 3.5Å; D731-L735 PolarHBondContact O-N 3.49Å; Q733-L735 VanDerWaalsContact C-N 3.35Å; Q733-L735 PolarHBondContact O-N 3.2Å; L735-M737 VanDerWaalsContact C-N 3.3Å; L735-M737 PolarHBondContact O-N 3.45Å; L735-L738 PolarHBondContact O-N 3.21Å; L735-C739 VanDerWaalsContact O-CB 3.26Å; L735-C739 WeakPolarHBondContact O-CB 3.34Å; L735-C739 PolarHBondContact O-N 2.77Å; L735-C739 PolarHBondContact O-SG 3.49Å; L735-F846 HydrophobicContact CB-CB 4.35Å; L735-F846 HydrophobicContact CB-CD2 4.05Å; L735-F846 HydrophobicContact CB-CE2 4.47Å; L735-F846 HydrophobicContact CB-CG 4.1Å; L735-F846 HydrophobicContact CD1-CD1 4.13Å; L735-F846 HydrophobicContact CD1-CE1 3.91Å; L735-F846 HydrophobicContact CD1-CE2 4.32Å; L735-F846 HydrophobicContact CD1-CG 4.45Å; L735-F846 HydrophobicContact CD1-CZ 4Å; L735-F846 HydrophobicContact CD2-CE2 4.39Å |
| 736 | A | 90.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V732 Q733 S740 F846 K847 Y850 | V732-A736 WeakPolarHBondContact O-CB 3.36Å; V732-A736 PolarHBondContact O-N 3.34Å; Q733-A736 PolarHBondContact O-N 3.44Å; A736-S740 WeakPolarHBondContact O-CB 3.32Å; A736-S740 PolarHBondContact O-N 3.04Å; A736-S740 PolarHBondContact O-OG 3.01Å; A736-F846 HydrophobicContact CB-CB 4.47Å; A736-K847 HydrophobicContact CB-CG 4.45Å; A736-Y850 HydrophobicContact CB-CD1 3.71Å; A736-Y850 HydrophobicContact CB-CG 3.96Å |
| 737 | M | 91.1 | Very high | 77.8 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.9 | -51.1 | 177.3 | -70.1 | -64.1 | -58.6 | 0 | 0 | 111.8 | Y656 L658 W686 Q733 T734 L735 C739 S740 V741 Y850 | Y656-M737 HydrophobicContact CD2-CE 3.83Å; Y656-M737 HydrophobicContact CD2-CG 3.83Å; Y656-M737 HydrophobicContact CD2-SD 4.07Å; Y656-M737 HydrophobicContact CE2-CG 4.19Å; Y656-M737 HydrophobicContact CG-CE 4.11Å; L658-M737 HydrophobicContact CD1-CE 4.45Å; L658-M737 HydrophobicContact CD1-SD 4.25Å; L658-M737 HydrophobicContact CD2-CE 3.53Å; L658-M737 HydrophobicContact CD2-SD 4.21Å; L658-M737 HydrophobicContact CG-CE 3.83Å; L658-M737 HydrophobicContact CG-SD 4.28Å; W686-M737 HydrophobicContact CH2-CB 4.01Å; W686-M737 HydrophobicContact CH2-CE 3.95Å; W686-M737 HydrophobicContact CZ2-CB 3.9Å; W686-M737 HydrophobicContact CZ2-CE 4.08Å; Q733-M737 VanDerWaalsContact O-CG 3.27Å; Q733-M737 WeakPolarHBondContact O-CG 3.43Å; Q733-M737 PolarHBondContact O-N 3.31Å; Q733-M737 VanDerWaalsContact O-N 3.07Å; T734-M737 PolarHBondContact O-N 2.91Å; L735-M737 VanDerWaalsContact C-N 3.3Å; L735-M737 PolarHBondContact O-N 3.45Å; M737-C739 VanDerWaalsContact C-N 3.35Å; M737-C739 PolarHBondContact O-N 3.02Å; M737-S740 WeakPolarHBondContact O-CB 3.48Å; M737-S740 PolarHBondContact O-N 3.01Å; M737-V741 VanDerWaalsContact O-CG2 3.28Å; M737-V741 WeakPolarHBondContact O-CG2 3.48Å; M737-V741 PolarHBondContact O-N 3.4Å; M737-Y850 HydrophobicContact CG-CE1 4.25Å; M737-Y850 HydrophobicContact SD-CE1 4.04Å |
| 738 | L | 88.6 | Confident | 74.9 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.3 | -68.1 | 173.3 | 0 | 0 | 0 | 111.5 | V685 A689 L723 Y726 T734 L735 S740 V741 F742 | V685-L738 HydrophobicContact CG1-CD1 4.16Å; V685-L738 HydrophobicContact CG1-CD2 4.23Å; A689-L738 HydrophobicContact CB-CD2 4.32Å; L723-L738 HydrophobicContact CD2-CB 4.12Å; L723-L738 HydrophobicContact CD2-CD1 4.44Å; Y726-L738 HydrophobicContact CD2-CD1 4.5Å; T734-L738 HydrophobicContact CG2-CD1 3.97Å; T734-L738 HydrophobicContact CG2-CG 4.42Å; T734-L738 WeakPolarHBondContact O-CG 3.47Å; T734-L738 PolarHBondContact O-N 3.37Å; L735-L738 PolarHBondContact O-N 3.21Å; L738-S740 PolarHBondContact O-N 2.85Å; L738-S740 VanDerWaalsContact O-N 3.15Å; L738-V741 PolarHBondContact O-N 2.84Å; L738-F742 HydrophobicContact CD2-CE2 4.3Å; L738-F742 WeakPolarHBondContact O-CD2 3.34Å; L738-F742 PolarHBondContact O-N 2.76Å |
| 739 | C | 87.7 | Confident | 72.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -12.6 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 114.5 | L735 M737 F843 K847 | L735-C739 VanDerWaalsContact O-CB 3.26Å; L735-C739 WeakPolarHBondContact O-CB 3.34Å; L735-C739 PolarHBondContact O-N 2.77Å; L735-C739 PolarHBondContact O-SG 3.49Å; M737-C739 VanDerWaalsContact C-N 3.35Å; M737-C739 PolarHBondContact O-N 3.02Å; C739-F843 HydrophobicContact CB-CB 4Å; C739-F843 HydrophobicContact CB-CD1 4.44Å; C739-F843 HydrophobicContact CB-CG 4.28Å; C739-F843 WeakPolarHBondContact SG-CD1 3.43Å; C739-K847 VanDerWaalsContact C-CE 3.5Å; C739-K847 WeakPolarHBondContact O-CE 3.5Å; C739-K847 PolarHBondContact O-NZ 3.32Å |
| 740 | S | 86.4 | Confident | 69.6 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -94.7 | -32.3 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | A736 M737 L738 K847 | A736-S740 WeakPolarHBondContact O-CB 3.32Å; A736-S740 PolarHBondContact O-N 3.04Å; A736-S740 PolarHBondContact O-OG 3.01Å; M737-S740 WeakPolarHBondContact O-CB 3.48Å; M737-S740 PolarHBondContact O-N 3.01Å; L738-S740 PolarHBondContact O-N 2.85Å; L738-S740 VanDerWaalsContact O-N 3.15Å; S740-K847 WeakPolarHBondContact OG-CE 3.31Å |
| 741 | V | 83.7 | Confident | 66.7 | Low | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -49.6 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | L658 I663 M666 W686 M737 L738 R743 | L658-V741 HydrophobicContact CD2-CG2 4.32Å; I663-V741 HydrophobicContact CG2-CG1 3.69Å; M666-V741 HydrophobicContact CE-CG1 4.49Å; M666-V741 HydrophobicContact CE-CG2 4.09Å; M666-V741 HydrophobicContact SD-CG2 3.79Å; W686-V741 HydrophobicContact CH2-CG2 3.85Å; W686-V741 HydrophobicContact CZ3-CG2 3.69Å; M737-V741 VanDerWaalsContact O-CG2 3.28Å; M737-V741 WeakPolarHBondContact O-CG2 3.48Å; M737-V741 PolarHBondContact O-N 3.4Å; L738-V741 PolarHBondContact O-N 2.84Å; V741-R743 VanDerWaalsContact C-N 3.28Å; V741-R743 PolarHBondContact O-N 3.48Å |
| 742 | F | 76.5 | Confident | 63.7 | Low | 16 Ų | 16 | 55 Ų | 55 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 21 | -173.8 | -64.8 | -78.4 | 0 | 0 | 0 | 114.2 | A689 A692 T693 L719 L738 T744 L834 L835 | A689-F742 HydrophobicContact CB-CE2 3.93Å; A689-F742 HydrophobicContact CB-CZ 3.8Å; A692-F742 HydrophobicContact CB-CE1 4.11Å; A692-F742 HydrophobicContact CB-CZ 4.18Å; T693-F742 HydrophobicContact CG2-CD1 4.21Å; T693-F742 HydrophobicContact CG2-CE1 3.47Å; T693-F742 VanDerWaalsContact CG2-CE1 3.47Å; T693-F742 HydrophobicContact CG2-CZ 4.11Å; L719-F742 HydrophobicContact CD1-CD1 3.71Å; L719-F742 HydrophobicContact CD1-CD2 4.18Å; L719-F742 HydrophobicContact CD1-CE1 3.86Å; L719-F742 HydrophobicContact CD1-CE2 4.35Å; L719-F742 HydrophobicContact CD1-CG 3.88Å; L719-F742 HydrophobicContact CD1-CZ 4.2Å; L719-F742 HydrophobicContact CD2-CD2 3.88Å; L719-F742 HydrophobicContact CD2-CE1 4.15Å; L719-F742 HydrophobicContact CD2-CE2 3.47Å; L719-F742 VanDerWaalsContact CD2-CE2 3.47Å; L719-F742 HydrophobicContact CD2-CG 4.41Å; L719-F742 HydrophobicContact CD2-CZ 3.63Å; L738-F742 HydrophobicContact CD2-CE2 4.3Å; L738-F742 WeakPolarHBondContact O-CD2 3.34Å; L738-F742 PolarHBondContact O-N 2.76Å; F742-T744 PolarHBondContact O-N 3.21Å; F742-L834 HydrophobicContact CD1-CB 4.4Å; F742-L834 HydrophobicContact CD1-CD1 3.81Å; F742-L834 HydrophobicContact CE1-CD1 4.05Å; F742-L835 HydrophobicContact CB-CD1 3.76Å; F742-L835 HydrophobicContact CB-CD2 4.43Å; F742-L835 HydrophobicContact CB-CG 3.8Å |
| 743 | R | 68.9 | Low | 60.5 | Low | 83 Ų | 83 | 59.5 Ų | 59.5 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 122.2 | 175.6 | 177.2 | 173.2 | 177.4 | 178.8 | -4.3 | 109.9 | V741 Q745 F869 T870 | V741-R743 VanDerWaalsContact C-N 3.28Å; V741-R743 PolarHBondContact O-N 3.48Å; R743-Q745 PolarHBondContact O-N 3.5Å; R743-F869 PolarHBondContact NH1-O 3.49Å; R743-T870 PolarHBondContact NH1-O 3.14Å |
| 744 | T | 54.7 | Low | 58 | Low | 79 Ų | 79 | 66.4 Ų | 66.4 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 123.7 | 162 | 41.6 | 0 | 0 | 0 | 0 | 110.1 | F742 A746 R833 | F742-T744 PolarHBondContact O-N 3.21Å; T744-A746 PolarHBondContact O-N 3.41Å; T744-R833 HydrophobicContact CG2-CG 4.12Å |
| 745 | Q | 43 | Very low | 55 | Low | 138 Ų | 138 | 77.3 Ų | 77.3 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 129.7 | 166.6 | -62.8 | -175.1 | 18.5 | 0 | 0 | 108.2 | R743 | R743-Q745 PolarHBondContact O-N 3.5Š|
| 746 | A | 37.2 | Very low | 52 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 60% | 0.595 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 139.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | T744 | T744-A746 PolarHBondContact O-N 3.41Š|
| 747 | P | 28 | Very low | 49 | Very low | 113 Ų | 113 | 90 Ų | 90 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 144 | 173.9 | 24.4 | -33.4 | 0 | 0 | 0 | 109.2 | ||
| 748 | P | 27.6 | Very low | 46.1 | Very low | 94 Ų | 94 | 99.5 Ų | 99.5 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 144.5 | 176.1 | 26 | -34 | 0 | 0 | 0 | 109.2 | D750 | P748-D750 PolarHBondContact O-N 3.34Š|
| 749 | P | 33.9 | Very low | 43.2 | Very low | 131 Ų | 131 | 102.6 Ų | 102.6 | 85% | 0.851 | 60% | 0.596 | S | S | * | * | trans | -66.5 | 101.1 | 174.3 | 27.5 | -32.7 | 0 | 0 | 0 | 108.6 | C751 | P749-C751 PolarHBondContact O-N 3.29Š| ||
| 750 | D | 26.8 | Very low | 40.3 | Very low | 154 Ų | 154 | 108.1 Ų | 108.1 | 82% | 0.824 | 63% | 0.634 | S | S | * | * | trans | -57 | 134.3 | 178.3 | -83.8 | -39.1 | 0 | 0 | 0 | 110.8 | P748 C752 | P748-D750 PolarHBondContact O-N 3.34Å; D750-C752 PolarHBondContact O-N 3.16Å | ||
| 751 | C | 24.9 | Very low | 37.5 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | trans | -76.6 | 122.2 | -173.9 | -164 | 0 | 0 | 0 | 0 | 110.1 | P749 | P749-C751 PolarHBondContact O-N 3.29Š| ||
| 752 | C | 25.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 126 Ų | 126 | 69% | 0.689 | 71% | 0.712 | S | S | * | * | trans | 58.2 | 104.8 | 168.1 | -70 | 0 | 0 | 0 | 0 | 117.8 | D750 | D750-C752 PolarHBondContact O-N 3.16Š| ||
| 753 | S | 24.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -111.2 | 107.6 | 133.7 | -80.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 754 | L | 36.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -73.9 | 161.7 | 160.1 | -79.5 | 157 | 0 | 0 | 0 | 109 | ||||
| 755 | Y | 29.7 | Very low | 29 | Very low | 233 Ų | 233 | 142.4 Ų | 142.4 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | 73.4 | 117.8 | -168.6 | -57 | -81.4 | 0 | 0 | 0 | 113.4 | ||||
| 756 | G | 26.6 | Very low | 28.1 | Very low | 67 Ų | 67 | 146.1 Ų | 146.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -117.5 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 757 | H | 28.3 | Very low | 27.7 | Very low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -149.6 | 143.3 | 144.2 | -100.9 | -73.8 | 0 | 0 | 0 | 108.9 | G759 | H757-G759 PolarHBondContact O-N 3.48Š| ||
| 758 | H | 30.1 | Very low | 27.7 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | trans | -73.5 | 117.3 | -174.7 | -90.3 | -64.7 | 0 | 0 | 0 | 112.5 | ||||
| 759 | G | 26.3 | Very low | 27.6 | Very low | 71 Ų | 71 | 154.4 Ų | 154.4 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | -107.7 | 140.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110 | H757 | H757-G759 PolarHBondContact O-N 3.48Š| ||
| 760 | S | 27.6 | Very low | 27.3 | Very low | 116 Ų | 116 | 154 Ų | 154 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -94.5 | 128.4 | -166.1 | -172.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 761 | R | 26.6 | Very low | 27.2 | Very low | 220 Ų | 220 | 150.3 Ų | 150.3 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | 170.8 | 150.9 | 119.4 | -94.8 | 171.5 | 179.7 | -175.6 | 1.2 | 115.7 | |||||
| 762 | L | 27.4 | Very low | 27.3 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 60.5 | 82.3 | 147.2 | -67.5 | 162 | 0 | 0 | 0 | 119.5 | ||||
| 763 | H | 26.8 | Very low | 27.3 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -96.9 | 118 | 151.7 | -101.2 | -67.8 | 0 | 0 | 0 | 112 | R765 | H763-R765 PolarHBondContact O-N 3.15Š| ||
| 764 | S | 25.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -55.6 | 127.4 | 159.8 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 765 | R | 25.8 | Very low | 26.9 | Very low | 230 Ų | 230 | 148.6 Ų | 148.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -105 | 114.2 | 169.1 | -75.3 | -170.3 | -171.7 | -177.4 | 4.4 | 110.4 | H763 | H763-R765 PolarHBondContact O-N 3.15Š| ||
| 766 | Y | 25.4 | Very low | 26.7 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 136.5 | 146 | -79.6 | -91.4 | 0 | 0 | 0 | 109.4 | ||||
| 767 | P | 29.1 | Very low | 26.5 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -105 | 129 | 157.6 | 7.2 | 13.2 | 0 | 0 | 0 | 110.7 | ||||
| 768 | S | 26.3 | Very low | 26.3 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 156.2 | 168.5 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 769 | Y | 27.4 | Very low | 26 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 171.6 | -174.9 | -84.5 | -91.4 | 0 | 0 | 0 | 114.9 | ||||
| 770 | T | 26.1 | Very low | 25.9 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 87.6 | 135.8 | 171.2 | 75.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 771 | S | 25.6 | Very low | 25.8 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 53% | 0.531 | 78% | 0.778 | S | S | . | * | cis | -161.8 | 155.6 | -10.7 | -89.2 | 0 | 0 | 0 | 0 | 111.1 | R894 | S771-R894 PolarHBondContact OG-NH1 3.27Š| ||
| 772 | S | 26.1 | Very low | 25.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 64.4 | 131.3 | 148.9 | 51.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 773 | S | 26.6 | Very low | 25.5 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -55.7 | 171.6 | 163.7 | 45.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 774 | V | 26.6 | Very low | 25.4 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -159.8 | 147.8 | 38.2 | -139.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 775 | T | 25.2 | Very low | 25.4 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 21.3 | 133.2 | 149.9 | 55.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 776 | S | 25.4 | Very low | 25.3 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | 134.2 | 123.8 | 111 | 75 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 777 | G | 22.4 | Very low | 25.3 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 64.8 | 148.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 778 | S | 25.1 | Very low | 25.3 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | cis | -164.5 | 163 | -2.3 | -72.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 779 | C | 22.3 | Very low | 25.2 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 52.4 | 159.5 | 150.1 | 65.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 780 | S | 23.9 | Very low | 25.2 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | cis | -173.6 | 130 | -28.7 | -85.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 781 | S | 25.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -169.4 | 113.1 | 155.7 | 39.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 782 | T | 22.9 | Very low | 25.2 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | 52.6 | 123.5 | 83 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 783 | S | 25.6 | Very low | 25.2 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -169.7 | 161.9 | 17.6 | -118.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 784 | D | 24 | Very low | 25.1 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 48.4 | 155.5 | 138.2 | -62.7 | -59.8 | 0 | 0 | 0 | 122.6 | ||||
| 785 | S | 24.8 | Very low | 25 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -169 | 146.6 | -26.6 | -101.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 786 | I | 25 | Very low | 26.5 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | 27.6 | 119.3 | 145.6 | -50.9 | 171.5 | 0 | 0 | 0 | 120.4 | ||||
| 787 | A | 26 | Very low | 26.5 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 175.5 | 132.4 | 128.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 788 | A | 27.2 | Very low | 26.9 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | 63.2 | 127.2 | 55.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 789 | T | 26.2 | Very low | 26.9 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | cis | -170.5 | 163.1 | 24.1 | -5.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 790 | W | 26 | Very low | 27.4 | Very low | 227 Ų | 227 | 131.4 Ų | 131.4 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 92.8 | 100.1 | 147 | -71.1 | 18.3 | 0 | 0 | 0 | 124 | ||||
| 791 | T | 26.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 131 Ų | 131 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | 38.2 | 131.7 | 118.9 | 59.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 792 | T | 26 | Very low | 28.5 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | -148.1 | 154.6 | 125.2 | -19.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 793 | V | 26 | Very low | 28.9 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -111 | 143.2 | -174.1 | 167.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 794 | R | 24.9 | Very low | 28.9 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -165.4 | 140 | 141.7 | -113 | 177.3 | -164 | -146.8 | 2.3 | 114.1 | ||||
| 795 | D | 24.4 | Very low | 29.1 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -136 | 178.4 | 169.2 | -127.3 | -19.8 | 0 | 0 | 0 | 104.8 | ||||
| 796 | P | 56.4 | Low | 29.3 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | -131 | -168.9 | -22.5 | 37.6 | -18.8 | 0 | 0 | 0 | 111.7 | ||||
| 797 | E | 26.3 | Very low | 30.5 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | 159.1 | 115.1 | 131.4 | -88.5 | -174.8 | 159.3 | 0 | 0 | 114 | ||||
| 798 | H | 29.4 | Very low | 30.6 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | 159 | 103.5 | 120.9 | -90.7 | -62.9 | 0 | 0 | 0 | 115.8 | |||||
| 799 | S | 26.6 | Very low | 31 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 30.8 | 130.1 | 135.1 | 48.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 800 | A | 31.4 | Very low | 31.3 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -76.4 | -166.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 801 | P | 42.8 | Very low | 32.2 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -122.1 | 179.8 | 22 | 41.8 | -22.6 | 0 | 0 | 0 | 112.5 | ||||
| 802 | W | 31.1 | Very low | 32.6 | Very low | 247 Ų | 247 | 155.2 Ų | 155.2 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | -147.3 | 151.7 | 57.8 | -74.7 | 77.2 | 0 | 0 | 0 | 111.2 | |||||
| 803 | G | 29.9 | Very low | 33 | Very low | 70 Ų | 70 | 151.1 Ų | 151.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -122.8 | 150.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 804 | E | 26.4 | Very low | 33.4 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -145.8 | 147.7 | 147.9 | -123.9 | 174.7 | -153.5 | 0 | 0 | 108.6 | ||||
| 805 | S | 28 | Very low | 33.9 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -111.5 | 138.9 | -164.6 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 806 | S | 29.6 | Very low | 34.5 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -161 | 136.3 | 139.6 | -158.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 807 | P | 49.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 154 Ų | 154 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -86 | 151.6 | 171.8 | 36.1 | -33 | 0 | 0 | 0 | 110.9 | ||||
| 808 | D | 29 | Very low | 35 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | -171.6 | 162.4 | 109.8 | -99.1 | -22.2 | 0 | 0 | 0 | 112.7 | |||||
| 809 | E | 34.5 | Very low | 36.5 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -63.1 | 137.5 | -170.5 | -54 | 175.9 | 104.5 | 0 | 0 | 113.9 | ||||
| 810 | Y | 33.4 | Very low | 38.1 | Very low | 229 Ų | 229 | 144.4 Ų | 144.4 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -152.1 | 120.7 | 130.1 | -96.4 | -67.4 | 0 | 0 | 0 | 111 | Y812 | Y810-Y812 PolarHBondContact O-N 3.4Š| ||
| 811 | R | 44.5 | Very low | 39.5 | Very low | 238 Ų | 238 | 148.1 Ų | 148.1 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 118.8 | 172.7 | -71.6 | 178 | 174.4 | 130.9 | -0.5 | 110 | ||||
| 812 | Y | 35.3 | Very low | 40.6 | Very low | 214 Ų | 214 | 147.7 Ų | 147.7 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -109.3 | 133.2 | 157.4 | -101.7 | -92.2 | 0 | 0 | 0 | 110.4 | Y810 | Y810-Y812 PolarHBondContact O-N 3.4Š| ||
| 813 | G | 33.3 | Very low | 42.2 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -72.9 | 162.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q815 | G813-Q815 PolarHBondContact O-N 2.95Š| ||
| 814 | N | 35.4 | Very low | 43.8 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 96% | 0.963 | 73% | 0.725 | S | S | * | * | trans | -50.2 | 97.4 | 178 | -73.8 | -22.3 | 0 | 0 | 0 | 112.7 | ||||
| 815 | Q | 33.6 | Very low | 45.8 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | -89.9 | 119.2 | 152.8 | -84.6 | 178.3 | -15.4 | 0 | 0 | 107.9 | G813 Y817 | G813-Q815 PolarHBondContact O-N 2.95Å; Q815-Y817 PolarHBondContact O-N 3.37Å; Q815-Y817 VanDerWaalsContact O-N 3.12Å | ||
| 816 | S | 38 | Very low | 47.5 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -61.7 | 110.8 | 166 | 49 | 0 | 0 | 0 | 0 | 108.7 | T818 | S816-T818 VanDerWaalsContact C-N 3.33Å; S816-T818 PolarHBondContact O-N 2.99Å | ||
| 817 | Y | 40 | Very low | 49.2 | Very low | 227 Ų | 227 | 142.3 Ų | 142.3 | 89% | 0.89 | 68% | 0.676 | S | S | * | * | trans | -63.9 | 95.8 | 164.1 | -95.2 | -99.2 | 0 | 0 | 0 | 108.3 | Q815 | Q815-Y817 PolarHBondContact O-N 3.37Å; Q815-Y817 VanDerWaalsContact O-N 3.12Å | ||
| 818 | T | 52.8 | Low | 50 | Low | 73 Ų | 73 | 141.7 Ų | 141.7 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | trans | -68.8 | 134.9 | 155.9 | 20.9 | 0 | 0 | 0 | 0 | 108.1 | S816 | S816-T818 VanDerWaalsContact C-N 3.33Å; S816-T818 PolarHBondContact O-N 2.99Å | ||
| 819 | D | 60.5 | Low | 51.7 | Low | 67 Ų | 67 | 137.3 Ų | 137.3 | 36% | 0.358 | 64% | 0.641 | S | S | . | * | trans | -56.4 | 129 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | R821 E822 R823 R825 | D819-R821 PolarHBondContact O-N 3.05Å; D819-R821 WeakPolarHBondContact OD1-CB 3.28Å; D819-R821 PolarHBondContact OD1-N 3.16Å; D819-E822 HydrophobicContact CB-CB 4.15Å; D819-E822 HydrophobicContact CB-CG 3.95Å; D819-E822 WeakPolarHBondContact O-CA 3.27Å; D819-E822 WeakPolarHBondContact O-CB 3.47Å; D819-E822 PolarHBondContact O-N 3.1Å; D819-R823 PolarHBondContact O-N 3.33Å; D819-R825 IonicContact OD2-NH2 2.75Å | ||
| 820 | P | 60.9 | Low | 53.2 | Low | 86 Ų | 86 | 132.2 Ų | 132.2 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -47.4 | -34.6 | 173.2 | -30.2 | 36.4 | 0 | 0 | 0 | 113.2 | R823 E824 | P820-R823 PolarHBondContact O-N 2.86Å; P820-E824 WeakPolarHBondContact O-CB 3.47Å; P820-E824 VanDerWaalsContact O-CG 3.31Å; P820-E824 WeakPolarHBondContact O-CG 3.47Å; P820-E824 PolarHBondContact O-N 3.26Å |
| 821 | R | 61.9 | Low | 54.8 | Low | 174 Ų | 174 | 123.2 Ų | 123.2 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.9 | -27.9 | 176.4 | -64.6 | 174.9 | 154.8 | -170.6 | -7.5 | 114 | D819 R825 | D819-R821 PolarHBondContact O-N 3.05Å; D819-R821 WeakPolarHBondContact OD1-CB 3.28Å; D819-R821 PolarHBondContact OD1-N 3.16Å; R821-R825 WeakPolarHBondContact O-CB 3.48Å; R821-R825 VanDerWaalsContact O-CG 3.31Å; R821-R825 WeakPolarHBondContact O-CG 3.32Å; R821-R825 PolarHBondContact O-N 3.11Å; R821-R825 VanDerWaalsContact O-N 3.14Å; R821-R825 PolarHBondContact O-NE 3.41Å |
| 822 | E | 64.4 | Low | 55.8 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.3 | -45.6 | 168.5 | -72.8 | -179.7 | 152.2 | 0 | 0 | 110 | D819 E824 R825 E826 | D819-E822 HydrophobicContact CB-CB 4.15Å; D819-E822 HydrophobicContact CB-CG 3.95Å; D819-E822 WeakPolarHBondContact O-CA 3.27Å; D819-E822 WeakPolarHBondContact O-CB 3.47Å; D819-E822 PolarHBondContact O-N 3.1Å; E822-E824 VanDerWaalsContact C-N 3.33Å; E822-E824 PolarHBondContact O-N 2.86Å; E822-R825 CarbonylContact O-C 3.57Å; E822-R825 PolarHBondContact O-N 3.2Å; E822-R825 VanDerWaalsContact O-N 3.1Å; E822-E826 WeakPolarHBondContact O-CG 3.35Å; E822-E826 PolarHBondContact O-N 3.03Å |
| 823 | R | 65.6 | Low | 57.5 | Low | 163 Ų | 163 | 111.4 Ų | 111.4 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | 176.3 | -169.6 | 179 | -176.6 | -179.8 | 0.7 | 112.6 | D819 P820 L827 | D819-R823 PolarHBondContact O-N 3.33Å; P820-R823 PolarHBondContact O-N 2.86Å; R823-L827 HydrophobicContact CG-CD1 4.16Å; R823-L827 VanDerWaalsContact O-CB 3.31Å; R823-L827 WeakPolarHBondContact O-CB 3.42Å; R823-L827 WeakPolarHBondContact O-CD1 3.26Å; R823-L827 VanDerWaalsContact O-CG 3.23Å; R823-L827 WeakPolarHBondContact O-CG 3.48Å; R823-L827 PolarHBondContact O-N 3.07Å |
| 824 | E | 64.3 | Low | 59.5 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 173.3 | -77.3 | 168.5 | 177.2 | 0 | 0 | 112.1 | P820 E822 L827 H828 | P820-E824 WeakPolarHBondContact O-CB 3.47Å; P820-E824 VanDerWaalsContact O-CG 3.31Å; P820-E824 WeakPolarHBondContact O-CG 3.47Å; P820-E824 PolarHBondContact O-N 3.26Å; E822-E824 VanDerWaalsContact C-N 3.33Å; E822-E824 PolarHBondContact O-N 2.86Å; E824-L827 PolarHBondContact O-N 3.05Å; E824-H828 WeakPolarHBondContact O-CB 3.31Å; E824-H828 PolarHBondContact O-N 2.8Å |
| 825 | R | 66.7 | Low | 61.5 | Low | 147 Ų | 147 | 102.3 Ų | 102.3 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.6 | -41.9 | 174.6 | -80.1 | 176.4 | -71.9 | -152.8 | 3.1 | 112.5 | D819 R821 E822 H828 D829 | D819-R825 IonicContact OD2-NH2 2.75Å; R821-R825 WeakPolarHBondContact O-CB 3.48Å; R821-R825 VanDerWaalsContact O-CG 3.31Å; R821-R825 WeakPolarHBondContact O-CG 3.32Å; R821-R825 PolarHBondContact O-N 3.11Å; R821-R825 VanDerWaalsContact O-N 3.14Å; R821-R825 PolarHBondContact O-NE 3.41Å; E822-R825 CarbonylContact O-C 3.57Å; E822-R825 PolarHBondContact O-N 3.2Å; E822-R825 VanDerWaalsContact O-N 3.1Å; R825-H828 PolarHBondContact O-N 2.76Å; R825-D829 WeakPolarHBondContact O-CB 3.48Å; R825-D829 PolarHBondContact O-N 3.23Å |
| 826 | E | 65 | Low | 63.6 | Low | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.542 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 173.8 | -72.5 | 177.9 | 166.6 | 0 | 0 | 111.4 | E822 H828 D829 M830 | E822-E826 WeakPolarHBondContact O-CG 3.35Å; E822-E826 PolarHBondContact O-N 3.03Å; E826-H828 VanDerWaalsContact C-N 3.35Å; E826-H828 PolarHBondContact O-N 2.94Å; E826-D829 PolarHBondContact O-N 3Å; E826-M830 WeakPolarHBondContact O-CB 3.46Å; E826-M830 VanDerWaalsContact O-CG 3.28Å; E826-M830 WeakPolarHBondContact O-CG 3.35Å; E826-M830 PolarHBondContact O-N 2.85Å |
| 827 | L | 64.8 | Low | 65.2 | Low | 92 Ų | 92 | 93.6 Ų | 93.6 | 48% | 0.482 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 174.5 | -77.6 | 164.7 | 0 | 0 | 0 | 111.9 | R823 E824 M830 N831 | R823-L827 HydrophobicContact CG-CD1 4.16Å; R823-L827 VanDerWaalsContact O-CB 3.31Å; R823-L827 WeakPolarHBondContact O-CB 3.42Å; R823-L827 WeakPolarHBondContact O-CD1 3.26Å; R823-L827 VanDerWaalsContact O-CG 3.23Å; R823-L827 WeakPolarHBondContact O-CG 3.48Å; R823-L827 PolarHBondContact O-N 3.07Å; E824-L827 PolarHBondContact O-N 3.05Å; L827-M830 PolarHBondContact O-N 3.31Å; L827-N831 VanDerWaalsContact O-CB 3.27Å; L827-N831 WeakPolarHBondContact O-CB 3.04Å; L827-N831 PolarHBondContact O-N 3Å; L827-N831 PolarHBondContact O-ND2 2.87Å; L827-N831 VanDerWaalsContact O-ND2 3.08Å |
| 828 | H | 65.9 | Low | 67 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 178.2 | -179.2 | 85.1 | 0 | 0 | 0 | 112.2 | E824 R825 E826 N831 K832 | E824-H828 WeakPolarHBondContact O-CB 3.31Å; E824-H828 PolarHBondContact O-N 2.8Å; R825-H828 PolarHBondContact O-N 2.76Å; E826-H828 VanDerWaalsContact C-N 3.35Å; E826-H828 PolarHBondContact O-N 2.94Å; H828-N831 PolarHBondContact O-N 3.15Å; H828-K832 WeakPolarHBondContact NE2-CE 3.23Å; H828-K832 PolarHBondContact NE2-NZ 2.81Å; H828-K832 PolarHBondContact O-N 3.46Å |
| 829 | D | 65.6 | Low | 68.3 | Low | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.1 | -178.4 | 22.6 | 0 | 0 | 0 | 111.2 | R825 E826 N831 K832 R833 | R825-D829 WeakPolarHBondContact O-CB 3.48Å; R825-D829 PolarHBondContact O-N 3.23Å; E826-D829 PolarHBondContact O-N 3Å; D829-N831 VanDerWaalsContact C-N 3.32Å; D829-N831 PolarHBondContact O-N 3.26Å; D829-K832 PolarHBondContact O-N 3.33Å; D829-K832 VanDerWaalsContact O-N 3.15Å; D829-R833 VanDerWaalsContact CG-NH2 3.25Å; D829-R833 WeakPolarHBondContact O-CG 3.26Å; D829-R833 PolarHBondContact O-N 3.34Å; D829-R833 IonicContact OD1-CZ 3.85Å; D829-R833 IonicContact OD1-NE 2.76Å; D829-R833 PolarHBondContact OD1-NE 3.49Å; D829-R833 IonicContact OD1-NH2 3.67Å; D829-R833 PolarHBondContact OD1-NH2 3.33Å; D829-R833 IonicContact OD2-CZ 3.75Å; D829-R833 IonicContact OD2-NE 3.46Å; D829-R833 IonicContact OD2-NH2 3.96Å; D829-R833 PolarHBondContact OD2-NH2 3.32Å |
| 830 | M | 66.1 | Low | 69.3 | Low | 56 Ų | 56 | 85.2 Ų | 85.2 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 171.6 | -72.7 | -48.4 | 97.9 | 0 | 0 | 111.9 | R716 E826 L827 K832 R833 P837 | R716-M830 PolarHBondContact NH2-O 2.73Å; E826-M830 WeakPolarHBondContact O-CB 3.46Å; E826-M830 VanDerWaalsContact O-CG 3.28Å; E826-M830 WeakPolarHBondContact O-CG 3.35Å; E826-M830 PolarHBondContact O-N 2.85Å; L827-M830 PolarHBondContact O-N 3.31Å; M830-K832 PolarHBondContact O-N 2.97Å; M830-R833 PolarHBondContact O-N 2.91Å; M830-R833 VanDerWaalsContact O-N 3.11Å; M830-P837 HydrophobicContact CE-CG 4.02Å; M830-P837 HydrophobicContact SD-CG 4.03Å |
| 831 | N | 67.3 | Low | 70.3 | Confident | 39 Ų | 39 | 87.5 Ų | 87.5 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.2 | -11 | 178.5 | -73.6 | -27.2 | 0 | 0 | 0 | 113.9 | P708 A710 R711 L827 H828 D829 | P708-N831 HydrophobicContact CB-CB 3.86Å; P708-N831 HydrophobicContact CG-CB 4.16Å; A710-N831 WeakPolarHBondContact CB-O 3.38Å; R711-N831 WeakPolarHBondContact CD-OD1 3.04Å; L827-N831 VanDerWaalsContact O-CB 3.27Å; L827-N831 WeakPolarHBondContact O-CB 3.04Å; L827-N831 PolarHBondContact O-N 3Å; L827-N831 PolarHBondContact O-ND2 2.87Å; L827-N831 VanDerWaalsContact O-ND2 3.08Å; H828-N831 PolarHBondContact O-N 3.15Å; D829-N831 VanDerWaalsContact C-N 3.32Å; D829-N831 PolarHBondContact O-N 3.26Å |
| 832 | K | 64.9 | Low | 71.4 | Confident | 141 Ų | 141 | 83.6 Ų | 83.6 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -90.5 | -18.9 | 170.9 | -72.1 | 176.4 | 176.5 | 175.4 | 0 | 113.9 | H828 D829 M830 | H828-K832 WeakPolarHBondContact NE2-CE 3.23Å; H828-K832 PolarHBondContact NE2-NZ 2.81Å; H828-K832 PolarHBondContact O-N 3.46Å; D829-K832 PolarHBondContact O-N 3.33Å; D829-K832 VanDerWaalsContact O-N 3.15Å; M830-K832 PolarHBondContact O-N 2.97Å |
| 833 | R | 71.1 | Confident | 72.5 | Confident | 64 Ų | 64 | 80 Ų | 80 | 24% | 0.242 | 39% | 0.391 | C | S | . | . | trans | -95.1 | 122 | -172.5 | -64.6 | 177 | -168.5 | -149.5 | 4.7 | 111.8 | R716 T744 D829 M830 | R716-R833 PolarHBondContact NE-O 3.17Å; R716-R833 PolarHBondContact NH2-O 3.3Å; T744-R833 HydrophobicContact CG2-CG 4.12Å; D829-R833 VanDerWaalsContact CG-NH2 3.25Å; D829-R833 WeakPolarHBondContact O-CG 3.26Å; D829-R833 PolarHBondContact O-N 3.34Å; D829-R833 IonicContact OD1-CZ 3.85Å; D829-R833 IonicContact OD1-NE 2.76Å; D829-R833 PolarHBondContact OD1-NE 3.49Å; D829-R833 IonicContact OD1-NH2 3.67Å; D829-R833 PolarHBondContact OD1-NH2 3.33Å; D829-R833 IonicContact OD2-CZ 3.75Å; D829-R833 IonicContact OD2-NE 3.46Å; D829-R833 IonicContact OD2-NH2 3.96Å; D829-R833 PolarHBondContact OD2-NH2 3.32Å; M830-R833 PolarHBondContact O-N 2.91Å; M830-R833 VanDerWaalsContact O-N 3.11Å | ||
| 834 | L | 74.7 | Confident | 73.5 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -74 | -26.8 | 177.7 | -77.3 | 176.7 | 0 | 0 | 0 | 113.8 | L719 F742 | L719-L834 HydrophobicContact CD1-CB 3.78Å; L719-L834 HydrophobicContact CD1-CD1 4.32Å; L719-L834 HydrophobicContact CD1-CD2 4.39Å; L719-L834 HydrophobicContact CD1-CG 4.39Å; F742-L834 HydrophobicContact CD1-CB 4.4Å; F742-L834 HydrophobicContact CD1-CD1 3.81Å; F742-L834 HydrophobicContact CE1-CD1 4.05Å |
| 835 | L | 78.4 | Confident | 74.6 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -111.2 | 142.7 | 171.4 | -63.8 | -178.3 | 0 | 0 | 0 | 111 | L719 L723 F742 P837 F843 | L719-L835 HydrophobicContact CB-CD2 4.36Å; L723-L835 HydrophobicContact CD1-CD2 3.81Å; F742-L835 HydrophobicContact CB-CD1 3.76Å; F742-L835 HydrophobicContact CB-CD2 4.43Å; F742-L835 HydrophobicContact CB-CG 3.8Å; L835-P837 WeakPolarHBondContact O-CD 3.42Å; L835-F843 HydrophobicContact CB-CE2 4Å; L835-F843 HydrophobicContact CB-CZ 4.49Å; L835-F843 HydrophobicContact CD1-CD2 4.35Å; L835-F843 HydrophobicContact CD1-CE2 4.12Å; L835-F843 HydrophobicContact CD2-CZ 4.46Å; L835-F843 HydrophobicContact CG-CE2 4.5Å |
| 836 | D | 75.9 | Confident | 75.7 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -70.8 | 121.5 | 175.2 | -174.5 | -10.9 | 0 | 0 | 0 | 111.4 | A838 N839 | D836-A838 PolarHBondContact O-N 3.19Å; D836-A838 VanDerWaalsContact OD1-CB 3.3Å; D836-A838 WeakPolarHBondContact OD1-CB 3.28Å; D836-A838 PolarHBondContact OD1-N 3.45Å; D836-N839 PolarHBondContact O-N 2.82Å | ||
| 837 | P | 72 | Confident | 76.9 | Confident | 44 Ų | 44 | 60 Ų | 60 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.5 | 174.6 | -25.2 | 36.4 | 0 | 0 | 0 | 114.8 | M830 L835 N839 T840 | M830-P837 HydrophobicContact CE-CG 4.02Å; M830-P837 HydrophobicContact SD-CG 4.03Å; L835-P837 WeakPolarHBondContact O-CD 3.42Å; P837-N839 PolarHBondContact O-N 3.3Å; P837-T840 VanDerWaalsContact O-CB 3.32Å; P837-T840 WeakPolarHBondContact O-CB 3.41Å; P837-T840 PolarHBondContact O-N 3Å; P837-T840 VanDerWaalsContact O-N 3.13Å; P837-T840 PolarHBondContact O-OG1 3.46Å |
| 838 | A | 77.6 | Confident | 78.1 | Confident | 77 Ų | 77 | 60 Ų | 60 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -58.2 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D836 | D836-A838 PolarHBondContact O-N 3.19Å; D836-A838 VanDerWaalsContact OD1-CB 3.3Å; D836-A838 WeakPolarHBondContact OD1-CB 3.28Å; D836-A838 PolarHBondContact OD1-N 3.45Å |
| 839 | N | 81 | Confident | 79.1 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -91.3 | 5.1 | -177.3 | -64.6 | -35.8 | 0 | 0 | 0 | 113.8 | D836 P837 L841 Q842 F843 | D836-N839 PolarHBondContact O-N 2.82Å; P837-N839 PolarHBondContact O-N 3.3Å; N839-L841 VanDerWaalsContact C-N 3.26Å; N839-L841 PolarHBondContact O-N 3.21Å; N839-L841 VanDerWaalsContact O-N 3.14Å; N839-Q842 WeakPolarHBondContact O-CB 3.07Å; N839-Q842 PolarHBondContact O-N 3.05Å; N839-F843 HydrophobicContact CB-CD2 4.4Å; N839-F843 HydrophobicContact CB-CE1 3.89Å; N839-F843 HydrophobicContact CB-CE2 3.7Å; N839-F843 HydrophobicContact CB-CZ 3.42Å; N839-F843 VanDerWaalsContact CB-CZ 3.42Å; N839-F843 WeakPolarHBondContact O-CD2 3.38Å; N839-F843 WeakPolarHBondContact O-CG 3.29Å; N839-F843 PolarHBondContact O-N 2.82Å; N839-F843 VanDerWaalsContact O-N 3.08Å |
| 840 | T | 80.8 | Confident | 80.4 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.2 | -38.8 | -177 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | P837 Q842 F843 D844 A871 | P837-T840 VanDerWaalsContact O-CB 3.32Å; P837-T840 WeakPolarHBondContact O-CB 3.41Å; P837-T840 PolarHBondContact O-N 3Å; P837-T840 VanDerWaalsContact O-N 3.13Å; P837-T840 PolarHBondContact O-OG1 3.46Å; T840-Q842 PolarHBondContact O-N 3.37Å; T840-F843 PolarHBondContact O-N 3.02Å; T840-D844 PolarHBondContact O-N 3.07Å; T840-A871 HydrophobicContact CG2-CB 3.56Å |
| 841 | L | 82.3 | Confident | 81.5 | Confident | 134 Ų | 134 | 53.1 Ų | 53.1 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 178.2 | -67.3 | 175 | 0 | 0 | 0 | 112.5 | N839 D844 D845 | N839-L841 VanDerWaalsContact C-N 3.26Å; N839-L841 PolarHBondContact O-N 3.21Å; N839-L841 VanDerWaalsContact O-N 3.14Å; L841-D844 PolarHBondContact O-N 2.99Å; L841-D845 PolarHBondContact O-N 3.41Å |
| 842 | Q | 84.9 | Confident | 82.4 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 176.9 | -172.3 | -178 | 4.4 | 0 | 0 | 110.9 | N839 T840 D844 D845 F846 | N839-Q842 WeakPolarHBondContact O-CB 3.07Å; N839-Q842 PolarHBondContact O-N 3.05Å; T840-Q842 PolarHBondContact O-N 3.37Å; Q842-D844 VanDerWaalsContact C-N 3.32Å; Q842-D844 PolarHBondContact O-N 3.44Å; Q842-D845 PolarHBondContact O-N 3.47Å; Q842-F846 HydrophobicContact CG-CE2 3.89Å; Q842-F846 HydrophobicContact CG-CZ 3.84Å; Q842-F846 WeakPolarHBondContact O-CD2 3.21Å; Q842-F846 WeakPolarHBondContact O-CG 3.5Å; Q842-F846 PolarHBondContact O-N 3.27Å |
| 843 | F | 87.4 | Confident | 83.5 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.8 | -57.2 | -26.9 | 0 | 0 | 0 | 112.2 | L723 C739 L835 N839 T840 F846 K847 | L723-F843 HydrophobicContact CD1-CE1 3.94Å; L723-F843 HydrophobicContact CD1-CZ 4.3Å; C739-F843 HydrophobicContact CB-CB 4Å; C739-F843 HydrophobicContact CB-CD1 4.44Å; C739-F843 HydrophobicContact CB-CG 4.28Å; C739-F843 WeakPolarHBondContact SG-CD1 3.43Å; L835-F843 HydrophobicContact CB-CE2 4Å; L835-F843 HydrophobicContact CB-CZ 4.49Å; L835-F843 HydrophobicContact CD1-CD2 4.35Å; L835-F843 HydrophobicContact CD1-CE2 4.12Å; L835-F843 HydrophobicContact CD2-CZ 4.46Å; L835-F843 HydrophobicContact CG-CE2 4.5Å; N839-F843 HydrophobicContact CB-CD2 4.4Å; N839-F843 HydrophobicContact CB-CE1 3.89Å; N839-F843 HydrophobicContact CB-CE2 3.7Å; N839-F843 HydrophobicContact CB-CZ 3.42Å; N839-F843 VanDerWaalsContact CB-CZ 3.42Å; N839-F843 WeakPolarHBondContact O-CD2 3.38Å; N839-F843 WeakPolarHBondContact O-CG 3.29Å; N839-F843 PolarHBondContact O-N 2.82Å; N839-F843 VanDerWaalsContact O-N 3.08Å; T840-F843 PolarHBondContact O-N 3.02Å; F843-F846 HydrophobicContact CD1-CD2 4.42Å; F843-F846 HydrophobicContact CD1-CE2 4.44Å; F843-F846 PolarHBondContact O-N 3.45Å; F843-K847 WeakPolarHBondContact O-CG 2.75Å; F843-K847 PolarHBondContact O-N 3.05Å; F843-K847 VanDerWaalsContact O-N 3.15Å |
| 844 | D | 86.3 | Confident | 84.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 173.3 | -89.6 | 15.4 | 0 | 0 | 0 | 112.7 | T840 L841 Q842 K847 K848 T870 A871 | T840-D844 PolarHBondContact O-N 3.07Å; L841-D844 PolarHBondContact O-N 2.99Å; Q842-D844 VanDerWaalsContact C-N 3.32Å; Q842-D844 PolarHBondContact O-N 3.44Å; D844-K847 PolarHBondContact O-N 3.14Å; D844-K848 VanDerWaalsContact O-CG 3.26Å; D844-K848 WeakPolarHBondContact O-CG 3.17Å; D844-K848 PolarHBondContact O-N 2.9Å; D844-T870 HydrophobicContact CB-CG2 4.48Å; D844-T870 VanDerWaalsContact OD1-CA 3.23Å; D844-T870 WeakPolarHBondContact OD1-CA 3.47Å; D844-A871 VanDerWaalsContact CG-N 3.29Å; D844-A871 PolarHBondContact OD1-N 3.03Å; D844-A871 WeakPolarHBondContact OD2-CB 3.48Å; D844-A871 PolarHBondContact OD2-N 3.25Å |
| 845 | D | 87.7 | Confident | 84.8 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70 | -32.1 | 177.6 | -75.2 | -8 | 0 | 0 | 0 | 112.5 | L841 Q842 K848 S849 | L841-D845 PolarHBondContact O-N 3.41Å; Q842-D845 PolarHBondContact O-N 3.47Å; D845-K848 IonicContact OD1-NZ 2.74Å; D845-K848 PolarHBondContact OD1-NZ 3.02Å; D845-S849 WeakPolarHBondContact O-CB 3.45Å; D845-S849 PolarHBondContact O-N 3.13Å; D845-S849 PolarHBondContact O-OG 3.12Å |
| 846 | F | 90.7 | Very high | 84.9 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 167.7 | -61.6 | -38.4 | 0 | 0 | 0 | 111.7 | L735 A736 Q842 F843 S849 Y850 | L735-F846 HydrophobicContact CB-CB 4.35Å; L735-F846 HydrophobicContact CB-CD2 4.05Å; L735-F846 HydrophobicContact CB-CE2 4.47Å; L735-F846 HydrophobicContact CB-CG 4.1Å; L735-F846 HydrophobicContact CD1-CD1 4.13Å; L735-F846 HydrophobicContact CD1-CE1 3.91Å; L735-F846 HydrophobicContact CD1-CE2 4.32Å; L735-F846 HydrophobicContact CD1-CG 4.45Å; L735-F846 HydrophobicContact CD1-CZ 4Å; L735-F846 HydrophobicContact CD2-CE2 4.39Å; A736-F846 HydrophobicContact CB-CB 4.47Å; Q842-F846 HydrophobicContact CG-CE2 3.89Å; Q842-F846 HydrophobicContact CG-CZ 3.84Å; Q842-F846 WeakPolarHBondContact O-CD2 3.21Å; Q842-F846 WeakPolarHBondContact O-CG 3.5Å; Q842-F846 PolarHBondContact O-N 3.27Å; F843-F846 HydrophobicContact CD1-CD2 4.42Å; F843-F846 HydrophobicContact CD1-CE2 4.44Å; F843-F846 PolarHBondContact O-N 3.45Å; F846-S849 PolarHBondContact O-N 3.39Å; F846-Y850 PolarHBondContact O-N 2.96Å |
| 847 | K | 89.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 177.9 | -69 | 164.2 | -171.7 | 167 | 0 | 112.5 | A736 C739 S740 F843 D844 Y850 G851 V866 F869 T870 | A736-K847 HydrophobicContact CB-CG 4.45Å; C739-K847 VanDerWaalsContact C-CE 3.5Å; C739-K847 WeakPolarHBondContact O-CE 3.5Å; C739-K847 PolarHBondContact O-NZ 3.32Å; S740-K847 WeakPolarHBondContact OG-CE 3.31Å; F843-K847 WeakPolarHBondContact O-CG 2.75Å; F843-K847 PolarHBondContact O-N 3.05Å; F843-K847 VanDerWaalsContact O-N 3.15Å; D844-K847 PolarHBondContact O-N 3.14Å; K847-Y850 PolarHBondContact O-N 3.43Å; K847-G851 PolarHBondContact O-N 3.35Å; K847-V866 HydrophobicContact CB-CG1 4.13Å; K847-V866 HydrophobicContact CG-CG1 4.39Å; K847-F869 HydrophobicContact CD-CB 4.35Å; K847-F869 WeakPolarHBondContact CD-O 3.45Å; K847-F869 PolarHBondContact NZ-O 2.85Å; K847-T870 HydrophobicContact CB-CG2 3.92Å; K847-T870 HydrophobicContact CD-CG2 4.26Å |
| 848 | K | 89.1 | Confident | 85.9 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 41% | 0.409 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.4 | -68.6 | 166.4 | -157.6 | 155.8 | 0 | 111.4 | D844 D845 Y850 G851 E852 L867 T870 | D844-K848 VanDerWaalsContact O-CG 3.26Å; D844-K848 WeakPolarHBondContact O-CG 3.17Å; D844-K848 PolarHBondContact O-N 2.9Å; D845-K848 IonicContact OD1-NZ 2.74Å; D845-K848 PolarHBondContact OD1-NZ 3.02Å; K848-Y850 PolarHBondContact O-N 3.49Å; K848-G851 PolarHBondContact O-N 2.99Å; K848-E852 PolarHBondContact O-N 3.5Å; K848-L867 HydrophobicContact CG-CD2 4.5Å; K848-T870 HydrophobicContact CG-CG2 4.39Å |
| 849 | S | 88.6 | Confident | 86.4 | Confident | 60 Ų | 60 | 56 Ų | 56 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | D845 F846 E852 I853 | D845-S849 WeakPolarHBondContact O-CB 3.45Å; D845-S849 PolarHBondContact O-N 3.13Å; D845-S849 PolarHBondContact O-OG 3.12Å; F846-S849 PolarHBondContact O-N 3.39Å; S849-E852 PolarHBondContact O-N 3.3Å; S849-I853 WeakPolarHBondContact O-CG1 3.42Å; S849-I853 PolarHBondContact O-N 3.15Å |
| 850 | Y | 91.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 172.8 | -177.1 | -136.8 | 0 | 0 | 0 | 112.3 | G653 Q733 A736 M737 F846 K847 K848 E852 I853 L854 W857 V866 | G653-Y850 WeakPolarHBondContact CA-OH 3.5Å; Q733-Y850 HydrophobicContact CB-CD2 3.99Å; Q733-Y850 HydrophobicContact CB-CE2 3.79Å; Q733-Y850 HydrophobicContact CG-CD2 4.25Å; Q733-Y850 HydrophobicContact CG-CE1 4.38Å; Q733-Y850 HydrophobicContact CG-CE2 3.57Å; Q733-Y850 PolarHBondContact NE2-OH 3.49Å; A736-Y850 HydrophobicContact CB-CD1 3.71Å; A736-Y850 HydrophobicContact CB-CG 3.96Å; M737-Y850 HydrophobicContact CG-CE1 4.25Å; M737-Y850 HydrophobicContact SD-CE1 4.04Å; F846-Y850 PolarHBondContact O-N 2.96Å; K847-Y850 PolarHBondContact O-N 3.43Å; K848-Y850 PolarHBondContact O-N 3.49Å; Y850-E852 VanDerWaalsContact C-N 3.27Å; Y850-E852 PolarHBondContact O-N 2.9Å; Y850-I853 HydrophobicContact CD2-CB 4.41Å; Y850-I853 WeakPolarHBondContact O-CA 3.42Å; Y850-I853 WeakPolarHBondContact O-CB 3.4Å; Y850-I853 PolarHBondContact O-N 3.42Å; Y850-L854 HydrophobicContact CD1-CD1 4.03Å; Y850-L854 HydrophobicContact CD2-CG 4.24Å; Y850-L854 HydrophobicContact CE1-CD1 3.76Å; Y850-L854 HydrophobicContact CE1-CG 4.27Å; Y850-L854 HydrophobicContact CE2-CD1 4.31Å; Y850-L854 HydrophobicContact CE2-CD2 3.99Å; Y850-L854 HydrophobicContact CE2-CG 3.91Å; Y850-L854 HydrophobicContact CG-CD1 4.42Å; Y850-L854 WeakPolarHBondContact O-CG 3.38Å; Y850-L854 PolarHBondContact O-N 3.04Å; Y850-W857 HydrophobicContact CE2-CZ3 4.24Å; Y850-V866 HydrophobicContact CD1-CG1 4.05Å; Y850-V866 HydrophobicContact CD1-CG2 3.9Å; Y850-V866 HydrophobicContact CE1-CG2 3.82Å |
| 851 | G | 89 | Confident | 86.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -34.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K847 K848 Y855 R863 | K847-G851 PolarHBondContact O-N 3.35Å; K848-G851 PolarHBondContact O-N 2.99Å; G851-Y855 WeakPolarHBondContact O-CB 3.4Å; G851-Y855 PolarHBondContact O-N 3.07Å; G851-R863 VanDerWaalsContact O-CD 3.23Å; G851-R863 WeakPolarHBondContact O-CD 3.23Å; G851-R863 WeakPolarHBondContact O-CG 3.36Å; G851-R863 PolarHBondContact O-NE 3.46Å; G851-R863 VanDerWaalsContact O-NE 3.14Å |
| 852 | E | 87.4 | Confident | 87.3 | Confident | 75 Ų | 75 | 55.4 Ų | 55.4 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.8 | -28.9 | 172.8 | -74 | -58.2 | 112.1 | 0 | 0 | 113.5 | K848 S849 Y850 R856 R863 | K848-E852 PolarHBondContact O-N 3.5Å; S849-E852 PolarHBondContact O-N 3.3Å; Y850-E852 VanDerWaalsContact C-N 3.27Å; Y850-E852 PolarHBondContact O-N 2.9Å; E852-R856 WeakPolarHBondContact O-CD 3.49Å; E852-R856 VanDerWaalsContact O-CG 3.26Å; E852-R856 WeakPolarHBondContact O-CG 3.44Å; E852-R856 PolarHBondContact O-N 3.38Å; E852-R863 IonicContact OE1-CZ 2.95Å; E852-R863 IonicContact OE1-NE 3.03Å; E852-R863 IonicContact OE1-NH2 3.32Å; E852-R863 PolarHBondContact OE1-NH2 3.41Å |
| 853 | I | 87.3 | Confident | 87.6 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.2 | -47.5 | 171.7 | -63.3 | 168.3 | 0 | 0 | 0 | 109.8 | V648 S849 Y850 Y855 R856 W857 | V648-I853 HydrophobicContact CG1-CD1 4.41Å; S849-I853 WeakPolarHBondContact O-CG1 3.42Å; S849-I853 PolarHBondContact O-N 3.15Å; Y850-I853 HydrophobicContact CD2-CB 4.41Å; Y850-I853 WeakPolarHBondContact O-CA 3.42Å; Y850-I853 WeakPolarHBondContact O-CB 3.4Å; Y850-I853 PolarHBondContact O-N 3.42Å; I853-Y855 VanDerWaalsContact C-N 3.32Å; I853-Y855 PolarHBondContact O-N 3.21Å; I853-R856 PolarHBondContact O-N 2.97Å; I853-R856 VanDerWaalsContact O-N 3.13Å; I853-W857 HydrophobicContact CG2-CD2 3.89Å; I853-W857 HydrophobicContact CG2-CE3 3.91Å; I853-W857 HydrophobicContact CG2-CH2 3.58Å; I853-W857 HydrophobicContact CG2-CZ2 3.56Å; I853-W857 HydrophobicContact CG2-CZ3 3.76Å; I853-W857 PolarHBondContact O-N 3.41Å |
| 854 | L | 87.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 175.6 | -69.4 | 173.1 | 0 | 0 | 0 | 112.1 | Y850 R856 W857 G858 L859 K862 R863 V866 | Y850-L854 HydrophobicContact CD1-CD1 4.03Å; Y850-L854 HydrophobicContact CD2-CG 4.24Å; Y850-L854 HydrophobicContact CE1-CD1 3.76Å; Y850-L854 HydrophobicContact CE1-CG 4.27Å; Y850-L854 HydrophobicContact CE2-CD1 4.31Å; Y850-L854 HydrophobicContact CE2-CD2 3.99Å; Y850-L854 HydrophobicContact CE2-CG 3.91Å; Y850-L854 HydrophobicContact CG-CD1 4.42Å; Y850-L854 WeakPolarHBondContact O-CG 3.38Å; Y850-L854 PolarHBondContact O-N 3.04Å; L854-R856 PolarHBondContact O-N 3.11Å; L854-W857 HydrophobicContact CD2-CE3 4.04Å; L854-W857 HydrophobicContact CD2-CZ3 4.3Å; L854-W857 PolarHBondContact O-N 3.45Å; L854-G858 PolarHBondContact O-N 2.86Å; L854-L859 HydrophobicContact CB-CB 4.47Å; L854-L859 HydrophobicContact CD2-CB 4.21Å; L854-L859 HydrophobicContact CD2-CD1 3.93Å; L854-L859 PolarHBondContact O-N 2.93Å; L854-K862 HydrophobicContact CD1-CB 4.19Å; L854-K862 HydrophobicContact CD2-CB 4.19Å; L854-R863 HydrophobicContact CB-CB 3.9Å; L854-R863 HydrophobicContact CD1-CB 4.48Å; L854-V866 HydrophobicContact CD1-CB 4.35Å; L854-V866 HydrophobicContact CD1-CG2 3.8Å |
| 855 | Y | 85.8 | Confident | 87.6 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.9 | -48.2 | 173.2 | -175 | -116.9 | 0 | 0 | 0 | 112.1 | G851 I853 W857 G858 | G851-Y855 WeakPolarHBondContact O-CB 3.4Å; G851-Y855 PolarHBondContact O-N 3.07Å; I853-Y855 VanDerWaalsContact C-N 3.32Å; I853-Y855 PolarHBondContact O-N 3.21Å; Y855-W857 VanDerWaalsContact C-N 3.29Å; Y855-W857 PolarHBondContact O-N 2.91Å; Y855-G858 PolarHBondContact O-N 2.78Å |
| 856 | R | 80.9 | Confident | 87.6 | Confident | 145 Ų | 145 | 54.6 Ų | 54.6 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.3 | -28 | -179.2 | -69 | 166.8 | -173.9 | -169.6 | 2.2 | 112.9 | T518 E852 I853 L854 G858 | T518-R856 HydrophobicContact CG2-CB 4.4Å; T518-R856 VanDerWaalsContact CG2-O 3.31Å; T518-R856 WeakPolarHBondContact CG2-O 3.23Å; E852-R856 WeakPolarHBondContact O-CD 3.49Å; E852-R856 VanDerWaalsContact O-CG 3.26Å; E852-R856 WeakPolarHBondContact O-CG 3.44Å; E852-R856 PolarHBondContact O-N 3.38Å; I853-R856 PolarHBondContact O-N 2.97Å; I853-R856 VanDerWaalsContact O-N 3.13Å; L854-R856 PolarHBondContact O-N 3.11Å; R856-G858 VanDerWaalsContact C-N 3.25Å |
| 857 | W | 84.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -4.3 | 171.3 | -70.3 | -25.3 | 0 | 0 | 0 | 114.1 | V648 K650 Y850 I853 L854 Y855 L859 | V648-W857 HydrophobicContact CB-CH2 4.16Å; V648-W857 HydrophobicContact CG2-CH2 4.21Å; V648-W857 HydrophobicContact CG2-CZ2 4.14Å; K650-W857 HydrophobicContact CB-CD2 4.03Å; K650-W857 HydrophobicContact CB-CE3 4.28Å; K650-W857 HydrophobicContact CB-CH2 4.36Å; K650-W857 HydrophobicContact CB-CZ2 4.08Å; K650-W857 HydrophobicContact CB-CZ3 4.45Å; K650-W857 HydrophobicContact CD-CB 4.26Å; K650-W857 HydrophobicContact CD-CD2 4.34Å; K650-W857 HydrophobicContact CD-CG 3.96Å; K650-W857 HydrophobicContact CG-CB 4.35Å; K650-W857 HydrophobicContact CG-CD2 3.84Å; K650-W857 HydrophobicContact CG-CE3 4.12Å; K650-W857 HydrophobicContact CG-CG 3.95Å; Y850-W857 HydrophobicContact CE2-CZ3 4.24Å; I853-W857 HydrophobicContact CG2-CD2 3.89Å; I853-W857 HydrophobicContact CG2-CE3 3.91Å; I853-W857 HydrophobicContact CG2-CH2 3.58Å; I853-W857 HydrophobicContact CG2-CZ2 3.56Å; I853-W857 HydrophobicContact CG2-CZ3 3.76Å; I853-W857 PolarHBondContact O-N 3.41Å; L854-W857 HydrophobicContact CD2-CE3 4.04Å; L854-W857 HydrophobicContact CD2-CZ3 4.3Å; L854-W857 PolarHBondContact O-N 3.45Å; Y855-W857 VanDerWaalsContact C-N 3.29Å; Y855-W857 PolarHBondContact O-N 2.91Å; W857-L859 VanDerWaalsContact C-N 3.3Å; W857-L859 HydrophobicContact CB-CD1 4.14Å; W857-L859 HydrophobicContact CB-CG 4.05Å; W857-L859 HydrophobicContact CE3-CD1 4.18Å |
| 858 | G | 83.8 | Confident | 87.2 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 8.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L854 Y855 R856 G860 | L854-G858 PolarHBondContact O-N 2.86Å; Y855-G858 PolarHBondContact O-N 2.78Å; R856-G858 VanDerWaalsContact C-N 3.25Å; G858-G860 VanDerWaalsContact C-N 3.29Å; G858-G860 PolarHBondContact O-N 3.39Å |
| 859 | L | 87.4 | Confident | 86.8 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | trans | -88.4 | 65.8 | -175.3 | -57.1 | 177.6 | 0 | 0 | 0 | 110.5 | E654 L854 W857 D861 K862 R863 | E654-L859 HydrophobicContact CG-CD1 3.72Å; E654-L859 HydrophobicContact CG-CD2 3.84Å; E654-L859 HydrophobicContact CG-CG 4.45Å; L854-L859 HydrophobicContact CB-CB 4.47Å; L854-L859 HydrophobicContact CD2-CB 4.21Å; L854-L859 HydrophobicContact CD2-CD1 3.93Å; L854-L859 PolarHBondContact O-N 2.93Å; W857-L859 VanDerWaalsContact C-N 3.3Å; W857-L859 HydrophobicContact CB-CD1 4.14Å; W857-L859 HydrophobicContact CB-CG 4.05Å; W857-L859 HydrophobicContact CE3-CD1 4.18Å; L859-D861 PolarHBondContact O-N 3.26Å; L859-K862 HydrophobicContact CB-CB 4.1Å; L859-K862 HydrophobicContact CB-CG 4.27Å; L859-K862 PolarHBondContact O-N 2.93Å; L859-R863 WeakPolarHBondContact O-CB 3.18Å; L859-R863 PolarHBondContact O-N 2.74Å | ||
| 860 | G | 84.4 | Confident | 86.5 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G858 R863 A864 | G858-G860 VanDerWaalsContact C-N 3.29Å; G858-G860 PolarHBondContact O-N 3.39Å; G860-R863 WeakPolarHBondContact O-CB 3.35Å; G860-R863 PolarHBondContact O-N 3.47Å; G860-A864 PolarHBondContact O-N 3.04Å |
| 861 | D | 89 | Confident | 85.5 | Confident | 138 Ų | 138 | 58.9 Ų | 58.9 | 74% | 0.738 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.4 | -47.4 | -178.2 | -51.4 | -41.4 | 0 | 0 | 0 | 111.2 | L859 R863 A864 D865 | L859-D861 PolarHBondContact O-N 3.26Å; D861-R863 VanDerWaalsContact C-N 3.28Å; D861-R863 PolarHBondContact O-N 2.88Å; D861-A864 WeakPolarHBondContact O-CA 3.12Å; D861-A864 WeakPolarHBondContact O-CB 3.28Å; D861-A864 PolarHBondContact O-N 2.98Å; D861-D865 PolarHBondContact O-N 2.89Å |
| 862 | K | 90.2 | Very high | 84.3 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -37.6 | 174.8 | -60.4 | -68.2 | -170 | 169.6 | 0 | 112.1 | G653 E654 Y656 L854 L859 D865 V866 | G653-K862 WeakPolarHBondContact O-CG 3.47Å; E654-K862 WeakPolarHBondContact O-CE 3.3Å; E654-K862 PolarHBondContact O-NZ 3.35Å; Y656-K862 PolarHBondContact O-NZ 2.94Å; L854-K862 HydrophobicContact CD1-CB 4.19Å; L854-K862 HydrophobicContact CD2-CB 4.19Å; L859-K862 HydrophobicContact CB-CB 4.1Å; L859-K862 HydrophobicContact CB-CG 4.27Å; L859-K862 PolarHBondContact O-N 2.93Å; K862-D865 PolarHBondContact O-N 2.99Å; K862-V866 WeakPolarHBondContact O-CG2 3.41Å; K862-V866 PolarHBondContact O-N 3.48Å |
| 863 | R | 90.9 | Very high | 82.9 | Confident | 76 Ų | 76 | 63 Ų | 63 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 173.2 | 176.2 | -176.7 | -166.1 | -95.8 | 6.8 | 110.8 | G851 E852 L854 L859 G860 D861 D865 V866 L867 | G851-R863 VanDerWaalsContact O-CD 3.23Å; G851-R863 WeakPolarHBondContact O-CD 3.23Å; G851-R863 WeakPolarHBondContact O-CG 3.36Å; G851-R863 PolarHBondContact O-NE 3.46Å; G851-R863 VanDerWaalsContact O-NE 3.14Å; E852-R863 IonicContact OE1-CZ 2.95Å; E852-R863 IonicContact OE1-NE 3.03Å; E852-R863 IonicContact OE1-NH2 3.32Å; E852-R863 PolarHBondContact OE1-NH2 3.41Å; L854-R863 HydrophobicContact CB-CB 3.9Å; L854-R863 HydrophobicContact CD1-CB 4.48Å; L859-R863 WeakPolarHBondContact O-CB 3.18Å; L859-R863 PolarHBondContact O-N 2.74Å; G860-R863 WeakPolarHBondContact O-CB 3.35Å; G860-R863 PolarHBondContact O-N 3.47Å; D861-R863 VanDerWaalsContact C-N 3.28Å; D861-R863 PolarHBondContact O-N 2.88Å; R863-D865 VanDerWaalsContact C-N 3.31Å; R863-D865 PolarHBondContact O-N 2.8Å; R863-V866 PolarHBondContact O-N 3.21Å; R863-L867 HydrophobicContact CG-CD1 3.73Å; R863-L867 HydrophobicContact CG-CG 4.3Å; R863-L867 WeakPolarHBondContact O-CB 3.42Å; R863-L867 VanDerWaalsContact O-CG 3.26Å; R863-L867 WeakPolarHBondContact O-CG 3.1Å; R863-L867 PolarHBondContact O-N 2.94Å |
| 864 | A | 86.4 | Confident | 81.5 | Confident | 47 Ų | 47 | 67 Ų | 67 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | G860 D861 L867 K868 | G860-A864 PolarHBondContact O-N 3.04Å; D861-A864 WeakPolarHBondContact O-CA 3.12Å; D861-A864 WeakPolarHBondContact O-CB 3.28Å; D861-A864 PolarHBondContact O-N 2.98Å; A864-L867 PolarHBondContact O-N 3.29Å; A864-K868 VanDerWaalsContact O-CG 3.26Å; A864-K868 WeakPolarHBondContact O-CG 3.47Å; A864-K868 PolarHBondContact O-N 3.41Å |
| 865 | D | 87.4 | Confident | 79.9 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 176.7 | -67.7 | -25 | 0 | 0 | 0 | 112.6 | D861 K862 R863 L867 K868 F869 | D861-D865 PolarHBondContact O-N 2.89Å; K862-D865 PolarHBondContact O-N 2.99Å; R863-D865 VanDerWaalsContact C-N 3.31Å; R863-D865 PolarHBondContact O-N 2.8Å; D865-L867 PolarHBondContact O-N 3.22Å; D865-K868 PolarHBondContact O-N 2.96Å; D865-K868 IonicContact OD1-NZ 2.68Å; D865-K868 PolarHBondContact OD1-NZ 2.94Å; D865-F869 WeakPolarHBondContact O-CD2 3.1Å; D865-F869 WeakPolarHBondContact O-CE2 3.26Å |
| 866 | V | 87.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.03 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 112 | L658 K847 Y850 L854 K862 R863 K868 F869 | L658-V866 HydrophobicContact CD1-CG2 3.95Å; K847-V866 HydrophobicContact CB-CG1 4.13Å; K847-V866 HydrophobicContact CG-CG1 4.39Å; Y850-V866 HydrophobicContact CD1-CG1 4.05Å; Y850-V866 HydrophobicContact CD1-CG2 3.9Å; Y850-V866 HydrophobicContact CE1-CG2 3.82Å; L854-V866 HydrophobicContact CD1-CB 4.35Å; L854-V866 HydrophobicContact CD1-CG2 3.8Å; K862-V866 WeakPolarHBondContact O-CG2 3.41Å; K862-V866 PolarHBondContact O-N 3.48Å; R863-V866 PolarHBondContact O-N 3.21Å; V866-K868 VanDerWaalsContact C-N 3.34Å; V866-K868 PolarHBondContact O-N 2.64Å; V866-F869 PolarHBondContact O-N 3.18Å; V866-F869 VanDerWaalsContact O-N 3.12Å |
| 867 | L | 87 | Confident | 76.7 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.6 | -20.6 | -175.6 | -67.1 | 179.4 | 0 | 0 | 0 | 113.7 | K848 R863 A864 D865 F869 T870 | K848-L867 HydrophobicContact CG-CD2 4.5Å; R863-L867 HydrophobicContact CG-CD1 3.73Å; R863-L867 HydrophobicContact CG-CG 4.3Å; R863-L867 WeakPolarHBondContact O-CB 3.42Å; R863-L867 VanDerWaalsContact O-CG 3.26Å; R863-L867 WeakPolarHBondContact O-CG 3.1Å; R863-L867 PolarHBondContact O-N 2.94Å; A864-L867 PolarHBondContact O-N 3.29Å; D865-L867 PolarHBondContact O-N 3.22Å; L867-F869 PolarHBondContact O-N 3.12Å; L867-F869 VanDerWaalsContact O-N 3.15Å; L867-T870 HydrophobicContact CD2-CG2 4.31Å; L867-T870 PolarHBondContact O-N 3.19Å; L867-T870 PolarHBondContact O-OG1 3.4Å |
| 868 | K | 84.6 | Confident | 74.8 | Confident | 139 Ų | 139 | 81.1 Ų | 81.1 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.4 | 167.3 | -71.1 | 160.9 | -161.4 | 171 | 0 | 112.2 | A864 D865 V866 | A864-K868 VanDerWaalsContact O-CG 3.26Å; A864-K868 WeakPolarHBondContact O-CG 3.47Å; A864-K868 PolarHBondContact O-N 3.41Å; D865-K868 PolarHBondContact O-N 2.96Å; D865-K868 IonicContact OD1-NZ 2.68Å; D865-K868 PolarHBondContact OD1-NZ 2.94Å; V866-K868 VanDerWaalsContact C-N 3.34Å; V866-K868 PolarHBondContact O-N 2.64Å |
| 869 | F | 80.8 | Confident | 73 | Confident | 29 Ų | 29 | 80.8 Ų | 80.8 | 13% | 0.127 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.6 | -178.2 | -57.8 | -69 | 0 | 0 | 0 | 114.8 | L658 M660 R743 K847 D865 V866 L867 | L658-F869 HydrophobicContact CB-CE2 3.76Å; L658-F869 HydrophobicContact CB-CZ 4.29Å; L658-F869 HydrophobicContact CD1-CD2 3.78Å; L658-F869 HydrophobicContact CD1-CE2 3.69Å; L658-F869 HydrophobicContact CG-CE2 4.28Å; M660-F869 HydrophobicContact CE-CD1 4.16Å; M660-F869 HydrophobicContact CE-CE1 3.49Å; M660-F869 VanDerWaalsContact CE-CE1 3.49Å; M660-F869 HydrophobicContact CE-CZ 3.82Å; M660-F869 HydrophobicContact CG-CE1 3.73Å; M660-F869 HydrophobicContact CG-CZ 3.99Å; M660-F869 HydrophobicContact SD-CD1 4.42Å; M660-F869 HydrophobicContact SD-CE1 3.62Å; M660-F869 HydrophobicContact SD-CZ 4.31Å; R743-F869 PolarHBondContact NH1-O 3.49Å; K847-F869 HydrophobicContact CD-CB 4.35Å; K847-F869 WeakPolarHBondContact CD-O 3.45Å; K847-F869 PolarHBondContact NZ-O 2.85Å; D865-F869 WeakPolarHBondContact O-CD2 3.1Å; D865-F869 WeakPolarHBondContact O-CE2 3.26Å; V866-F869 PolarHBondContact O-N 3.18Å; V866-F869 VanDerWaalsContact O-N 3.12Å; L867-F869 PolarHBondContact O-N 3.12Å; L867-F869 VanDerWaalsContact O-N 3.15Å |
| 870 | T | 83 | Confident | 71.1 | Confident | 29 Ų | 29 | 86 Ų | 86 | 18% | 0.178 | 49% | 0.489 | C | S | . | . | trans | -78.2 | 151.3 | 167.2 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | R743 D844 K847 K848 L867 | R743-T870 PolarHBondContact NH1-O 3.14Å; D844-T870 HydrophobicContact CB-CG2 4.48Å; D844-T870 VanDerWaalsContact OD1-CA 3.23Å; D844-T870 WeakPolarHBondContact OD1-CA 3.47Å; K847-T870 HydrophobicContact CB-CG2 3.92Å; K847-T870 HydrophobicContact CD-CG2 4.26Å; K848-T870 HydrophobicContact CG-CG2 4.39Å; L867-T870 HydrophobicContact CD2-CG2 4.31Å; L867-T870 PolarHBondContact O-N 3.19Å; L867-T870 PolarHBondContact O-OG1 3.4Å | ||
| 871 | A | 69.6 | Low | 69.3 | Low | 49 Ų | 49 | 93 Ų | 93 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -80.4 | -27.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T840 D844 | T840-A871 HydrophobicContact CG2-CB 3.56Å; D844-A871 VanDerWaalsContact CG-N 3.29Å; D844-A871 PolarHBondContact OD1-N 3.03Å; D844-A871 WeakPolarHBondContact OD2-CB 3.48Å; D844-A871 PolarHBondContact OD2-N 3.25Å |
| 872 | G | 65.7 | Low | 67.7 | Low | 42 Ų | 42 | 92.7 Ų | 92.7 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -81.2 | 145.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 873 | P | 56.3 | Low | 66.2 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 78% | 0.779 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 149.1 | 167.7 | 29.1 | -34.4 | 0 | 0 | 0 | 110.4 | ||
| 874 | P | 58.6 | Low | 65.1 | Low | 118 Ų | 118 | 92.3 Ų | 92.3 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 142.2 | 176.2 | 25.9 | -34 | 0 | 0 | 0 | 110.7 | ||
| 875 | E | 53.1 | Low | 64.3 | Low | 162 Ų | 162 | 97.4 Ų | 97.4 | 76% | 0.757 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 129 | 178.8 | -73.4 | -159.5 | 160.2 | 0 | 0 | 110.5 | H877 | E875-H877 PolarHBondContact O-N 3.31Š|
| 876 | P | 50.1 | Low | 63.5 | Low | 116 Ų | 116 | 94.7 Ų | 94.7 | 75% | 0.753 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 129.3 | 176.9 | 25.7 | -33.1 | 0 | 0 | 0 | 109.8 | K878 | P876-K878 PolarHBondContact O-N 2.82Š|
| 877 | H | 49.3 | Very low | 62.4 | Low | 171 Ų | 171 | 99.2 Ų | 99.2 | 79% | 0.792 | 55% | 0.547 | S | S | * | . | trans | -57.7 | 110.2 | -174.7 | -177.5 | -70.1 | 0 | 0 | 0 | 111.5 | E875 G879 | E875-H877 PolarHBondContact O-N 3.31Å; H877-G879 PolarHBondContact O-N 3.12Å | ||
| 878 | K | 45.7 | Very low | 61.4 | Low | 169 Ų | 169 | 102.6 Ų | 102.6 | 74% | 0.735 | 56% | 0.561 | S | S | * | * | trans | -67.3 | 115.1 | 174.2 | -67.5 | 169.2 | -175.4 | 156.4 | 0 | 108.8 | P876 | P876-K878 PolarHBondContact O-N 2.82Š| ||
| 879 | G | 46.5 | Very low | 61.1 | Low | 58 Ų | 58 | 98.2 Ų | 98.2 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | trans | -68.6 | 177.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | H877 | H877-G879 PolarHBondContact O-N 3.12Š| ||
| 880 | I | 47.4 | Very low | 60.8 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | trans | -80.2 | 123.5 | 179.3 | -58.4 | 170.7 | 0 | 0 | 0 | 109.8 | F882 | I880-F882 HydrophobicContact CB-CE2 4.3Å; I880-F882 HydrophobicContact CG2-CD2 4.33Å; I880-F882 HydrophobicContact CG2-CE1 4.42Å; I880-F882 HydrophobicContact CG2-CE2 3.79Å; I880-F882 HydrophobicContact CG2-CZ 3.84Å | ||
| 881 | E | 46.9 | Very low | 60.4 | Low | 187 Ų | 187 | 107.1 Ų | 107.1 | 87% | 0.874 | 58% | 0.582 | S | S | * | * | trans | -91.7 | 128.6 | 174.2 | -68.8 | -171.3 | 175.1 | 0 | 0 | 112 | ||||
| 882 | F | 55.5 | Low | 60.6 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | trans | -106.5 | 133.7 | 175.2 | -67.1 | -85.8 | 0 | 0 | 0 | 111.5 | I880 F921 L923 | I880-F882 HydrophobicContact CB-CE2 4.3Å; I880-F882 HydrophobicContact CG2-CD2 4.33Å; I880-F882 HydrophobicContact CG2-CE1 4.42Å; I880-F882 HydrophobicContact CG2-CE2 3.79Å; I880-F882 HydrophobicContact CG2-CZ 3.84Å; F882-F921 HydrophobicContact CB-CZ 4.49Å; F882-F921 HydrophobicContact CD1-CZ 4.45Å; F882-F921 HydrophobicContact CG-CZ 4.27Å; F882-L923 HydrophobicContact CE1-CD2 3.74Å; F882-L923 HydrophobicContact CZ-CD2 4.19Å | ||
| 883 | G | 57.5 | Low | 60.7 | Low | 45 Ų | 45 | 108.5 Ų | 108.5 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | trans | -110.8 | 127.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 884 | L | 68.2 | Low | 61.1 | Low | 80 Ų | 80 | 110.6 Ų | 110.6 | 42% | 0.419 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 143.5 | 173.4 | -65.2 | 172.5 | 0 | 0 | 0 | 111.1 | A893 F906 | L884-A893 HydrophobicContact CB-CB 4.39Å; L884-A893 PolarHBondContact O-N 2.75Å; L884-F906 HydrophobicContact CD1-CB 4.46Å |
| 885 | Y | 69.4 | Low | 61.5 | Low | 155 Ų | 155 | 107.5 Ų | 107.5 | 61% | 0.608 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.2 | 172.7 | -67.4 | -89.6 | 0 | 0 | 0 | 110 | C887 Q892 | Y885-C887 PolarHBondContact O-N 3.16Å; Y885-Q892 HydrophobicContact CD1-CB 4.28Å; Y885-Q892 HydrophobicContact CE1-CB 4.1Å; Y885-Q892 HydrophobicContact CE1-CG 4.38Å |
| 886 | C | 70.6 | Confident | 62.1 | Low | 1 Ų | 1 | 101.9 Ų | 101.9 | 1% | 0.007 | 53% | 0.529 | C | S | . | . | trans | -70 | 120.7 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | H888 C889 R890 S891 C898 C901 | C886-H888 PolarHBondContact O-N 3.22Å; C886-H888 VanDerWaalsContact O-N 3.1Å; C886-C889 PolarHBondContact O-N 2.92Å; C886-C889 VanDerWaalsContact SG-SG 3.69Å; C886-R890 WeakPolarHBondContact O-CA 3.39Å; C886-R890 PolarHBondContact O-N 3.2Å; C886-S891 PolarHBondContact N-O 2.93Å; C886-C898 HydrophobicContact CB-CB 4.11Å; C886-C901 PolarHBondContact SG-SG 3.42Å | ||
| 887 | C | 64.9 | Low | 63.2 | Low | 99 Ų | 99 | 101 Ų | 101 | 67% | 0.669 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.5 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | Y885 | Y885-C887 PolarHBondContact O-N 3.16Š|
| 888 | H | 66.8 | Low | 64.4 | Low | 113 Ų | 113 | 93 Ų | 93 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -35.7 | -175.8 | -69.3 | -58.2 | 0 | 0 | 0 | 115.3 | C886 R903 | C886-H888 PolarHBondContact O-N 3.22Å; C886-H888 VanDerWaalsContact O-N 3.1Å; H888-R903 WeakPolarHBondContact CD2-CD 3.26Å; H888-R903 PolarHBondContact CE1-NH1 3.09Å; H888-R903 PolarHBondContact ND1-NH1 3.15Å; H888-R903 PolarHBondContact NE2-NH1 3.15Å; H888-R903 VanDerWaalsContact NE2-NH1 3.16Å |
| 889 | C | 77.6 | Confident | 65.9 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 32% | 0.324 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 1.1 | -177.7 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | C886 S891 C898 C901 | C886-C889 PolarHBondContact O-N 2.92Å; C886-C889 VanDerWaalsContact SG-SG 3.69Å; C889-S891 PolarHBondContact O-N 3.41Å; C889-S891 PolarHBondContact SG-OG 2.99Å; C889-C898 PolarHBondContact SG-SG 3.36Å; C889-C901 HydrophobicContact CB-CB 4.36Å |
| 890 | R | 74.4 | Confident | 67.4 | Low | 215 Ų | 215 | 91 Ų | 91 | 81% | 0.811 | 48% | 0.477 | S | S | * | . | trans | 56.9 | 6.6 | 179.7 | -57.6 | -175.4 | 179.8 | -174.1 | -0.1 | 115.9 | C886 | C886-R890 WeakPolarHBondContact O-CA 3.39Å; C886-R890 PolarHBondContact O-N 3.2Å | ||
| 891 | S | 73.9 | Confident | 68.9 | Low | 29 Ų | 29 | 86.4 Ų | 86.4 | 20% | 0.203 | 46% | 0.456 | C | S | . | . | trans | -65.8 | 142.8 | 170.9 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | C886 C889 A893 C898 | C886-S891 PolarHBondContact N-O 2.93Å; C889-S891 PolarHBondContact O-N 3.41Å; C889-S891 PolarHBondContact SG-OG 2.99Å; S891-A893 PolarHBondContact O-N 2.81Å; S891-C898 PolarHBondContact OG-SG 3.01Å | ||
| 892 | Q | 74.6 | Confident | 70.3 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 130.6 | 169.8 | -166.9 | 179.1 | 21.7 | 0 | 0 | 109.7 | Y885 | Y885-Q892 HydrophobicContact CD1-CB 4.28Å; Y885-Q892 HydrophobicContact CE1-CB 4.1Å; Y885-Q892 HydrophobicContact CE1-CG 4.38Å |
| 893 | A | 67.8 | Low | 71 | Confident | 7 Ų | 7 | 84.8 Ų | 84.8 | 6% | 0.058 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L884 S891 T905 | L884-A893 HydrophobicContact CB-CB 4.39Å; L884-A893 PolarHBondContact O-N 2.75Å; S891-A893 PolarHBondContact O-N 2.81Å; A893-T905 HydrophobicContact CB-CG2 3.44Å; A893-T905 VanDerWaalsContact CB-CG2 3.44Å |
| 894 | R | 63.9 | Low | 71.5 | Confident | 163 Ų | 163 | 85.4 Ų | 85.4 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | trans | -120.7 | 119.1 | 167.4 | -68.2 | -178.2 | 173.7 | -172.3 | -5.3 | 107.4 | S771 | S771-R894 PolarHBondContact OG-NH1 3.27Š| ||
| 895 | G | 66.5 | Low | 71.6 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 94.5 | -177.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q897 T905 | G895-Q897 PolarHBondContact O-N 3.39Å; G895-T905 PolarHBondContact O-OG1 3.38Å |
| 896 | T | 67.3 | Low | 71.9 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 27% | 0.27 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -79 | -13.9 | -165.9 | 60.2 | 0 | 0 | 0 | 0 | 115.6 | L904 T905 R916 | T896-L904 WeakPolarHBondContact O-CA 3.45Å; T896-T905 WeakPolarHBondContact CA-OG1 3.38Å; T896-T905 PolarHBondContact O-N 2.66Å; T896-T905 VanDerWaalsContact O-N 3.15Å; T896-T905 PolarHBondContact O-OG1 3.05Å; T896-R916 HydrophobicContact CG2-CG 3.64Å |
| 897 | Q | 73.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -131.4 | 146 | 178.7 | -77.1 | 177.4 | 6.8 | 0 | 0 | 109.6 | G895 A899 L904 | G895-Q897 PolarHBondContact O-N 3.39Å; Q897-A899 PolarHBondContact O-N 3.46Å; Q897-L904 HydrophobicContact CG-CD2 3.84Å |
| 898 | C | 74.4 | Confident | 73.5 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | trans | -73.5 | 126.2 | 178.6 | 176 | 0 | 0 | 0 | 0 | 109.1 | C886 C889 S891 V900 C901 K902 R903 T905 | C886-C898 HydrophobicContact CB-CB 4.11Å; C889-C898 PolarHBondContact SG-SG 3.36Å; S891-C898 PolarHBondContact OG-SG 3.01Å; C898-V900 PolarHBondContact O-N 3.43Å; C898-V900 PolarHBondContact SG-N 2.94Å; C898-V900 VanDerWaalsContact SG-N 3.43Å; C898-C901 VanDerWaalsContact CB-SG 3.59Å; C898-C901 PolarHBondContact SG-N 2.97Å; C898-C901 VanDerWaalsContact SG-N 3.43Å; C898-C901 VanDerWaalsContact SG-SG 3.67Å; C898-K902 WeakPolarHBondContact O-CA 3.47Å; C898-K902 PolarHBondContact O-N 2.93Å; C898-R903 PolarHBondContact N-O 2.99Å; C898-T905 HydrophobicContact CB-CG2 3.93Å | ||
| 899 | A | 76.7 | Confident | 74.4 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q897 | Q897-A899 PolarHBondContact O-N 3.46Š|
| 900 | V | 78.1 | Confident | 74.7 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -60.1 | -177.2 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | C898 | C898-V900 PolarHBondContact O-N 3.43Å; C898-V900 PolarHBondContact SG-N 2.94Å; C898-V900 VanDerWaalsContact SG-N 3.43Å |
| 901 | C | 78 | Confident | 75.3 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 28% | 0.284 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.8 | -172.2 | 73.5 | 0 | 0 | 0 | 0 | 115.1 | C886 C889 C898 R903 | C886-C901 PolarHBondContact SG-SG 3.42Å; C889-C901 HydrophobicContact CB-CB 4.36Å; C898-C901 VanDerWaalsContact CB-SG 3.59Å; C898-C901 PolarHBondContact SG-N 2.97Å; C898-C901 VanDerWaalsContact SG-N 3.43Å; C898-C901 VanDerWaalsContact SG-SG 3.67Å; C901-R903 PolarHBondContact O-N 3.24Å |
| 902 | K | 77.4 | Confident | 75.8 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | trans | 57 | -6.4 | -178.1 | -55.5 | -61.7 | -176 | 178.9 | 0 | 116.9 | C898 | C898-K902 WeakPolarHBondContact O-CA 3.47Å; C898-K902 PolarHBondContact O-N 2.93Å | ||
| 903 | R | 69 | Low | 76.2 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 54% | 0.536 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -65.1 | 152.1 | 173.7 | -63.1 | -176.4 | 179.6 | -155.8 | -1 | 111.3 | H888 C898 C901 T905 | H888-R903 WeakPolarHBondContact CD2-CD 3.26Å; H888-R903 PolarHBondContact CE1-NH1 3.09Å; H888-R903 PolarHBondContact ND1-NH1 3.15Å; H888-R903 PolarHBondContact NE2-NH1 3.15Å; H888-R903 VanDerWaalsContact NE2-NH1 3.16Å; C898-R903 PolarHBondContact N-O 2.99Å; C901-R903 PolarHBondContact O-N 3.24Å; R903-T905 PolarHBondContact O-N 2.88Å |
| 904 | L | 69.8 | Low | 76.8 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -60.9 | 133.5 | 178 | -54.9 | 176.6 | 0 | 0 | 0 | 109.9 | T896 Q897 Q907 A914 | T896-L904 WeakPolarHBondContact O-CA 3.45Å; Q897-L904 HydrophobicContact CG-CD2 3.84Å; L904-Q907 HydrophobicContact CB-CG 3.98Å; L904-Q907 HydrophobicContact CD1-CG 4.17Å; L904-A914 HydrophobicContact CB-CB 4.36Å; L904-A914 HydrophobicContact CD1-CB 3.94Å; L904-A914 HydrophobicContact CD2-CB 3.83Å; L904-A914 HydrophobicContact CG-CB 4.23Å |
| 905 | T | 68.4 | Low | 77.5 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.129 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -86.4 | -31.4 | -171.6 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | A893 G895 T896 C898 R903 | A893-T905 HydrophobicContact CB-CG2 3.44Å; A893-T905 VanDerWaalsContact CB-CG2 3.44Å; G895-T905 PolarHBondContact O-OG1 3.38Å; T896-T905 WeakPolarHBondContact CA-OG1 3.38Å; T896-T905 PolarHBondContact O-N 2.66Å; T896-T905 VanDerWaalsContact O-N 3.15Å; T896-T905 PolarHBondContact O-OG1 3.05Å; C898-T905 HydrophobicContact CB-CG2 3.93Å; R903-T905 PolarHBondContact O-N 2.88Å |
| 906 | F | 76.9 | Confident | 77.8 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | trans | -147.2 | 117.3 | 178.1 | 179.8 | -119.7 | 0 | 0 | 0 | 108.8 | L884 A914 V915 F921 G928 | L884-F906 HydrophobicContact CD1-CB 4.46Å; F906-A914 WeakPolarHBondContact O-CA 3.42Å; F906-V915 HydrophobicContact CD1-CB 3.72Å; F906-V915 HydrophobicContact CD1-CG2 3.7Å; F906-V915 HydrophobicContact CE1-CB 3.86Å; F906-V915 HydrophobicContact CE1-CG1 4.29Å; F906-V915 HydrophobicContact CE1-CG2 3.56Å; F906-V915 PolarHBondContact O-N 3.11Å; F906-F921 HydrophobicContact CE2-CB 4.46Å; F906-F921 HydrophobicContact CZ-CB 4.28Å; F906-G928 VanDerWaalsContact CZ-C 3.49Å | ||
| 907 | Q | 82.4 | Confident | 77.9 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -107.5 | 142.4 | 178.2 | -68.6 | 175.9 | -10.1 | 0 | 0 | 108.9 | L904 A909 | L904-Q907 HydrophobicContact CB-CG 3.98Å; L904-Q907 HydrophobicContact CD1-CG 4.17Å; Q907-A909 PolarHBondContact O-N 3.33Å |
| 908 | C | 85.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -68.8 | 125.3 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | V910 C911 H912 V913 V915 H930 | C908-V910 PolarHBondContact O-N 3.33Å; C908-C911 VanDerWaalsContact CB-SG 3.51Å; C908-C911 VanDerWaalsContact SG-SG 3.67Å; C908-H912 WeakPolarHBondContact O-CA 3.47Å; C908-H912 PolarHBondContact O-N 3.37Å; C908-V913 PolarHBondContact N-O 2.97Å; C908-V915 HydrophobicContact CB-CG2 3.82Å; C908-H930 WeakPolarHBondContact CB-CE1 3.3Å; C908-H930 WeakPolarHBondContact CB-ND1 3.43Å; C908-H930 PolarHBondContact SG-CE1 3.41Å | ||
| 909 | A | 85.7 | Confident | 78.4 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -10.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q907 G928 P945 A946 | Q907-A909 PolarHBondContact O-N 3.33Å; A909-G928 PolarHBondContact N-O 3.2Å; A909-P945 HydrophobicContact CB-CB 4.26Å; A909-P945 HydrophobicContact CB-CG 3.9Å; A909-A946 HydrophobicContact CB-CB 4.17Å |
| 910 | V | 85.2 | Confident | 78.6 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -46.4 | -180 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | C908 H933 M934 W937 P945 | C908-V910 PolarHBondContact O-N 3.33Å; V910-H933 HydrophobicContact CB-CB 4.02Å; V910-H933 HydrophobicContact CG1-CB 4.24Å; V910-H933 HydrophobicContact CG2-CB 4.21Å; V910-M934 HydrophobicContact CG2-SD 4.34Å; V910-W937 HydrophobicContact CG2-CB 4.45Å; V910-P945 HydrophobicContact CG2-CB 3.78Å; V910-P945 HydrophobicContact CG2-CG 4Å |
| 911 | C | 87 | Confident | 78.6 | Confident | 46 Ų | 46 | 69 Ų | 69 | 31% | 0.311 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -4.2 | -177.4 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | C908 V913 H930 H933 | C908-C911 VanDerWaalsContact CB-SG 3.51Å; C908-C911 VanDerWaalsContact SG-SG 3.67Å; C911-V913 PolarHBondContact O-N 2.88Å; C911-H930 PolarHBondContact SG-CE1 3.45Å; C911-H930 PolarHBondContact SG-NE2 2.95Å; C911-H933 PolarHBondContact SG-CE1 3.36Å; C911-H933 PolarHBondContact SG-ND1 3.43Å |
| 912 | H | 83.6 | Confident | 78.6 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 60% | 0.597 | 36% | 0.356 | S | S | * | . | trans | 57.1 | 0.4 | -176.7 | -56.4 | -69.1 | 0 | 0 | 0 | 116.9 | C908 | C908-H912 WeakPolarHBondContact O-CA 3.47Å; C908-H912 PolarHBondContact O-N 3.37Å | ||
| 913 | V | 83.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -76.1 | 149.5 | 171.1 | -174 | 0 | 0 | 0 | 0 | 110.6 | C908 C911 V915 H930 | C908-V913 PolarHBondContact N-O 2.97Å; C911-V913 PolarHBondContact O-N 2.88Å; V913-V915 PolarHBondContact O-N 3.16Å; V913-H930 WeakPolarHBondContact CB-NE2 3.5Å; V913-H930 PolarHBondContact O-NE2 2.9Å; V913-H930 VanDerWaalsContact O-NE2 3.16Å |
| 914 | A | 80.5 | Confident | 78.7 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 134.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L904 F906 R916 H930 | L904-A914 HydrophobicContact CB-CB 4.36Å; L904-A914 HydrophobicContact CD1-CB 3.94Å; L904-A914 HydrophobicContact CD2-CB 3.83Å; L904-A914 HydrophobicContact CG-CB 4.23Å; F906-A914 WeakPolarHBondContact O-CA 3.42Å; A914-R916 PolarHBondContact O-N 2.93Å; A914-H930 PolarHBondContact O-NE2 3.34Å |
| 915 | V | 78.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 121.7 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | F906 C908 V913 | F906-V915 HydrophobicContact CD1-CB 3.72Å; F906-V915 HydrophobicContact CD1-CG2 3.7Å; F906-V915 HydrophobicContact CE1-CB 3.86Å; F906-V915 HydrophobicContact CE1-CG1 4.29Å; F906-V915 HydrophobicContact CE1-CG2 3.56Å; F906-V915 PolarHBondContact O-N 3.11Å; C908-V915 HydrophobicContact CB-CG2 3.82Å; V913-V915 PolarHBondContact O-N 3.16Å |
| 916 | R | 72.5 | Confident | 79.4 | Confident | 187 Ų | 187 | 62 Ų | 62 | 71% | 0.706 | 36% | 0.364 | S | S | * | . | trans | -118.2 | 118.9 | 172.7 | -71.7 | 179.5 | 174.1 | 179.6 | -2 | 108.1 | T896 A914 | T896-R916 HydrophobicContact CG2-CG 3.64Å; A914-R916 PolarHBondContact O-N 2.93Å | ||
| 917 | G | 70.9 | Confident | 79.8 | Confident | 70 Ų | 70 | 64 Ų | 64 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 95.7 | -145.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S919 | G917-S919 PolarHBondContact O-N 3.36Š|
| 918 | S | 76.2 | Confident | 79.8 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | trans | -62.5 | 130.8 | -173 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | T931 | S918-T931 WeakPolarHBondContact CB-OG1 3.49Å; S918-T931 PolarHBondContact O-N 3.03Å; S918-T931 VanDerWaalsContact O-N 3.11Å; S918-T931 PolarHBondContact O-OG1 3.11Å | ||
| 919 | S | 80.3 | Confident | 79.9 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.1 | -176.5 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | G917 G929 T931 | G917-S919 PolarHBondContact O-N 3.36Å; S919-G929 VanDerWaalsContact CA-O 3.29Å; S919-G929 WeakPolarHBondContact CA-O 3.3Å; S919-T931 PolarHBondContact N-OG1 2.84Å |
| 920 | N | 81 | Confident | 80 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.4 | 170.2 | -65.2 | 11 | 0 | 0 | 0 | 108.3 | G928 G929 T931 M934 | N920-G928 CarbonylContact O-C 3.55Å; N920-G928 WeakPolarHBondContact O-CA 3.33Å; N920-G929 PolarHBondContact N-O 3.29Å; N920-G929 PolarHBondContact O-N 3.05Å; N920-T931 WeakPolarHBondContact OD1-CG2 3.44Å; N920-T931 PolarHBondContact OD1-OG1 3.4Å; N920-M934 HydrophobicContact CB-CB 4.19Å; N920-M934 HydrophobicContact CB-CG 4.18Å |
| 921 | F | 79 | Confident | 80.1 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.8 | 175.2 | 59.1 | -88.4 | 0 | 0 | 0 | 110.7 | F882 F906 L923 H927 | F882-F921 HydrophobicContact CB-CZ 4.49Å; F882-F921 HydrophobicContact CD1-CZ 4.45Å; F882-F921 HydrophobicContact CG-CZ 4.27Å; F906-F921 HydrophobicContact CE2-CB 4.46Å; F906-F921 HydrophobicContact CZ-CB 4.28Å; F921-L923 HydrophobicContact CD2-CD2 4.39Å; F921-L923 HydrophobicContact CE2-CD2 3.85Å; F921-H927 WeakPolarHBondContact CA-O 3.43Å |
| 922 | C | 78.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | trans | -84.9 | 128.8 | 178.5 | 177 | 0 | 0 | 0 | 0 | 110.4 | S924 C925 G926 H927 C952 | C922-S924 VanDerWaalsContact C-N 3.26Å; C922-S924 PolarHBondContact O-N 3.3Å; C922-S924 PolarHBondContact SG-N 3.13Å; C922-S924 VanDerWaalsContact SG-N 3.43Å; C922-C925 VanDerWaalsContact CB-SG 3.54Å; C922-G926 VanDerWaalsContact O-CA 3.28Å; C922-G926 WeakPolarHBondContact O-CA 3.42Å; C922-G926 PolarHBondContact O-N 2.92Å; C922-H927 PolarHBondContact N-O 3.24Å; C922-C952 HydrophobicContact CB-CB 3.82Å; C922-C952 VanDerWaalsContact CB-SG 3.56Å | ||
| 923 | L | 73.4 | Confident | 80.3 | Confident | 100 Ų | 100 | 56.1 Ų | 56.1 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.6 | 178.2 | -62.6 | 177.5 | 0 | 0 | 0 | 113 | F882 F921 | F882-L923 HydrophobicContact CE1-CD2 3.74Å; F882-L923 HydrophobicContact CZ-CD2 4.19Å; F921-L923 HydrophobicContact CD2-CD2 4.39Å; F921-L923 HydrophobicContact CE2-CD2 3.85Å |
| 924 | S | 73.4 | Confident | 80.4 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 49% | 0.49 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -32.8 | -176.1 | -44.1 | 0 | 0 | 0 | 0 | 114.1 | C922 Q955 | C922-S924 VanDerWaalsContact C-N 3.26Å; C922-S924 PolarHBondContact O-N 3.3Å; C922-S924 PolarHBondContact SG-N 3.13Å; C922-S924 VanDerWaalsContact SG-N 3.43Å; S924-Q955 WeakPolarHBondContact OG-CB 3.49Å; S924-Q955 PolarHBondContact OG-O 2.92Å |
| 925 | C | 79.9 | Confident | 80.7 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -8 | -179.2 | 70.4 | 0 | 0 | 0 | 0 | 114.7 | C922 H927 C950 | C922-C925 VanDerWaalsContact CB-SG 3.54Å; C925-H927 PolarHBondContact O-N 3.37Å; C925-C950 HydrophobicContact CB-CB 4.02Å |
| 926 | G | 74.5 | Confident | 81.1 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 54% | 0.536 | 35% | 0.346 | S | S | . | . | trans | 71.2 | -8.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C922 | C922-G926 VanDerWaalsContact O-CA 3.28Å; C922-G926 WeakPolarHBondContact O-CA 3.42Å; C922-G926 PolarHBondContact O-N 2.92Å | ||
| 927 | H | 83.8 | Confident | 81.9 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | trans | -77.5 | 149.1 | 178 | -57.8 | 130.4 | 0 | 0 | 0 | 112 | F921 C922 C925 A946 C948 | F921-H927 WeakPolarHBondContact CA-O 3.43Å; C922-H927 PolarHBondContact N-O 3.24Å; C925-H927 PolarHBondContact O-N 3.37Å; H927-A946 HydrophobicContact CB-CB 4.11Å; H927-C948 PolarHBondContact ND1-SG 3.08Å | ||
| 928 | G | 83.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | -167.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F906 A909 N920 | F906-G928 VanDerWaalsContact CZ-C 3.49Å; A909-G928 PolarHBondContact N-O 3.2Å; N920-G928 CarbonylContact O-C 3.55Å; N920-G928 WeakPolarHBondContact O-CA 3.33Å |
| 929 | G | 87.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | -169.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S919 N920 T931 M934 | S919-G929 VanDerWaalsContact CA-O 3.29Å; S919-G929 WeakPolarHBondContact CA-O 3.3Å; N920-G929 PolarHBondContact N-O 3.29Å; N920-G929 PolarHBondContact O-N 3.05Å; G929-T931 PolarHBondContact O-N 2.92Å; G929-M934 PolarHBondContact N-SD 3.35Å |
| 930 | H | 88.1 | Confident | 83.3 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 132 | 171.4 | -61 | 95.1 | 0 | 0 | 0 | 110 | C908 C911 V913 A914 G932 H933 M934 | C908-H930 WeakPolarHBondContact CB-CE1 3.3Å; C908-H930 WeakPolarHBondContact CB-ND1 3.43Å; C908-H930 PolarHBondContact SG-CE1 3.41Å; C911-H930 PolarHBondContact SG-CE1 3.45Å; C911-H930 PolarHBondContact SG-NE2 2.95Å; V913-H930 WeakPolarHBondContact CB-NE2 3.5Å; V913-H930 PolarHBondContact O-NE2 2.9Å; V913-H930 VanDerWaalsContact O-NE2 3.16Å; A914-H930 PolarHBondContact O-NE2 3.34Å; H930-G932 VanDerWaalsContact C-N 3.25Å; H930-G932 PolarHBondContact O-N 3.26Å; H930-G932 VanDerWaalsContact O-N 3.16Å; H930-H933 HydrophobicContact CB-CB 4.43Å; H930-H933 AromaticContact CE1-CE1 3.59Å; H930-H933 AromaticContact CE1-ND1 2.99Å; H930-H933 PolarHBondContact CE1-ND1 2.87Å; H930-H933 AromaticContact ND1-ND1 3.64Å; H930-H933 PolarHBondContact O-N 2.91Å; H930-H933 VanDerWaalsContact O-N 3.11Å; H930-M934 WeakPolarHBondContact O-CG 3.48Å; H930-M934 PolarHBondContact O-N 2.65Å |
| 931 | T | 87 | Confident | 83.4 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 17% | 0.172 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.4 | -43.2 | -176.1 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | S918 S919 N920 G929 M934 M935 | S918-T931 WeakPolarHBondContact CB-OG1 3.49Å; S918-T931 PolarHBondContact O-N 3.03Å; S918-T931 VanDerWaalsContact O-N 3.11Å; S918-T931 PolarHBondContact O-OG1 3.11Å; S919-T931 PolarHBondContact N-OG1 2.84Å; N920-T931 WeakPolarHBondContact OD1-CG2 3.44Å; N920-T931 PolarHBondContact OD1-OG1 3.4Å; G929-T931 PolarHBondContact O-N 2.92Å; T931-M934 PolarHBondContact O-N 2.93Å; T931-M935 HydrophobicContact CG2-CG 4.35Å; T931-M935 HydrophobicContact CG2-SD 3.73Å; T931-M935 WeakPolarHBondContact O-CB 3.38Å; T931-M935 VanDerWaalsContact O-CG 3.26Å; T931-M935 WeakPolarHBondContact O-CG 3.02Å; T931-M935 PolarHBondContact O-N 2.66Å |
| 932 | G | 87.1 | Confident | 83.5 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.2 | -55.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H930 M934 M935 D936 | H930-G932 VanDerWaalsContact C-N 3.25Å; H930-G932 PolarHBondContact O-N 3.26Å; H930-G932 VanDerWaalsContact O-N 3.16Å; G932-M934 VanDerWaalsContact C-N 3.29Å; G932-M934 PolarHBondContact O-N 3.06Å; G932-M935 PolarHBondContact O-N 3.07Å; G932-M935 VanDerWaalsContact O-N 3.08Å; G932-D936 PolarHBondContact O-N 3.25Å |
| 933 | H | 86.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 178.3 | -64.6 | 159.9 | 0 | 0 | 0 | 112.9 | V910 C911 H930 D936 W937 | V910-H933 HydrophobicContact CB-CB 4.02Å; V910-H933 HydrophobicContact CG1-CB 4.24Å; V910-H933 HydrophobicContact CG2-CB 4.21Å; C911-H933 PolarHBondContact SG-CE1 3.36Å; C911-H933 PolarHBondContact SG-ND1 3.43Å; H930-H933 HydrophobicContact CB-CB 4.43Å; H930-H933 AromaticContact CE1-CE1 3.59Å; H930-H933 AromaticContact CE1-ND1 2.99Å; H930-H933 PolarHBondContact CE1-ND1 2.87Å; H930-H933 AromaticContact ND1-ND1 3.64Å; H930-H933 PolarHBondContact O-N 2.91Å; H930-H933 VanDerWaalsContact O-N 3.11Å; H933-D936 PolarHBondContact O-N 2.97Å; H933-W937 VanDerWaalsContact O-CB 3.31Å; H933-W937 WeakPolarHBondContact O-CB 3.43Å; H933-W937 PolarHBondContact O-N 3.36Å |
| 934 | M | 86.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 176.8 | -58.8 | -54.6 | -61.4 | 0 | 0 | 111.2 | V910 N920 G929 H930 T931 G932 F938 P945 | V910-M934 HydrophobicContact CG2-SD 4.34Å; N920-M934 HydrophobicContact CB-CB 4.19Å; N920-M934 HydrophobicContact CB-CG 4.18Å; G929-M934 PolarHBondContact N-SD 3.35Å; H930-M934 WeakPolarHBondContact O-CG 3.48Å; H930-M934 PolarHBondContact O-N 2.65Å; T931-M934 PolarHBondContact O-N 2.93Å; G932-M934 VanDerWaalsContact C-N 3.29Å; G932-M934 PolarHBondContact O-N 3.06Å; M934-F938 HydrophobicContact CB-CD2 4.41Å; M934-F938 HydrophobicContact CB-CE2 4.43Å; M934-F938 HydrophobicContact CE-CD2 4.41Å; M934-F938 HydrophobicContact CE-CE2 3.48Å; M934-F938 VanDerWaalsContact CE-CE2 3.48Å; M934-F938 HydrophobicContact CE-CZ 3.89Å; M934-F938 WeakPolarHBondContact O-CB 3.42Å; M934-F938 WeakPolarHBondContact O-CD2 3.31Å; M934-F938 PolarHBondContact O-N 3.12Å; M934-P945 HydrophobicContact CE-CG 3.73Å; M934-P945 HydrophobicContact SD-CG 4.15Å |
| 935 | M | 85.6 | Confident | 85 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 51% | 0.507 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.2 | -30.6 | 176.1 | -70.8 | 176.2 | 75.4 | 0 | 0 | 113.7 | T931 G932 R939 | T931-M935 HydrophobicContact CG2-CG 4.35Å; T931-M935 HydrophobicContact CG2-SD 3.73Å; T931-M935 WeakPolarHBondContact O-CB 3.38Å; T931-M935 VanDerWaalsContact O-CG 3.26Å; T931-M935 WeakPolarHBondContact O-CG 3.02Å; T931-M935 PolarHBondContact O-N 2.66Å; G932-M935 PolarHBondContact O-N 3.07Å; G932-M935 VanDerWaalsContact O-N 3.08Å; M935-R939 WeakPolarHBondContact O-CB 3.13Å; M935-R939 PolarHBondContact O-N 3.2Å; M935-R939 PolarHBondContact O-NE 3.36Å; M935-R939 VanDerWaalsContact O-NE 3.11Å |
| 936 | D | 88 | Confident | 85.1 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.9 | -28.5 | 175.9 | -71.9 | -32.2 | 0 | 0 | 0 | 112.9 | G932 H933 R939 R940 | G932-D936 PolarHBondContact O-N 3.25Å; H933-D936 PolarHBondContact O-N 2.97Å; D936-R939 IonicContact OD1-CZ 3.9Å; D936-R939 VanDerWaalsContact OD1-CZ 3.22Å; D936-R939 IonicContact OD1-NH1 3.22Å; D936-R939 PolarHBondContact OD1-NH1 3.24Å; D936-R939 IonicContact OD1-NH2 2.69Å; D936-R939 PolarHBondContact OD1-NH2 2.92Å; D936-R940 PolarHBondContact O-NE 3.33Å; D936-R940 PolarHBondContact O-NH2 3.28Å |
| 937 | W | 88.6 | Confident | 85.5 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.9 | -54.6 | 172.7 | -177.7 | -89.9 | 0 | 0 | 0 | 111 | V910 H933 R939 R940 Q941 E943 P945 | V910-W937 HydrophobicContact CG2-CB 4.45Å; H933-W937 VanDerWaalsContact O-CB 3.31Å; H933-W937 WeakPolarHBondContact O-CB 3.43Å; H933-W937 PolarHBondContact O-N 3.36Å; W937-R939 PolarHBondContact O-N 3.49Å; W937-R939 VanDerWaalsContact O-N 3.13Å; W937-R940 PolarHBondContact O-N 3.12Å; W937-Q941 HydrophobicContact CZ2-CB 4.19Å; W937-Q941 HydrophobicContact CZ2-CG 4.12Å; W937-Q941 PolarHBondContact O-N 3.06Å; W937-E943 PolarHBondContact NE1-O 2.63Å; W937-P945 HydrophobicContact CD2-CB 3.81Å; W937-P945 HydrophobicContact CE3-CB 4.33Å; W937-P945 HydrophobicContact CG-CB 4.1Å; W937-P945 HydrophobicContact CG-CG 4.34Å; W937-P945 HydrophobicContact CZ2-CB 4.09Å |
| 938 | F | 86.2 | Confident | 85.4 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.6 | -178.9 | -68.8 | -53.4 | 0 | 0 | 0 | 114.5 | M934 Q941 C952 L953 | M934-F938 HydrophobicContact CB-CD2 4.41Å; M934-F938 HydrophobicContact CB-CE2 4.43Å; M934-F938 HydrophobicContact CE-CD2 4.41Å; M934-F938 HydrophobicContact CE-CE2 3.48Å; M934-F938 VanDerWaalsContact CE-CE2 3.48Å; M934-F938 HydrophobicContact CE-CZ 3.89Å; M934-F938 WeakPolarHBondContact O-CB 3.42Å; M934-F938 WeakPolarHBondContact O-CD2 3.31Å; M934-F938 PolarHBondContact O-N 3.12Å; F938-Q941 WeakPolarHBondContact CA-O 3.34Å; F938-Q941 WeakPolarHBondContact CD1-O 3.45Å; F938-C952 HydrophobicContact CE1-CB 3.99Å; F938-C952 HydrophobicContact CE2-CB 4.26Å; F938-C952 HydrophobicContact CZ-CB 3.48Å; F938-C952 VanDerWaalsContact CZ-CB 3.48Å; F938-L953 HydrophobicContact CB-CD1 3.84Å; F938-L953 HydrophobicContact CB-CD2 4.5Å; F938-L953 HydrophobicContact CB-CG 4.18Å; F938-L953 HydrophobicContact CD1-CD1 4.37Å; F938-L953 HydrophobicContact CD1-CG 4.14Å; F938-L953 HydrophobicContact CD2-CD2 4.32Å; F938-L953 HydrophobicContact CD2-CG 4.32Å; F938-L953 HydrophobicContact CG-CD1 4.16Å; F938-L953 HydrophobicContact CG-CD2 4.38Å; F938-L953 HydrophobicContact CG-CG 3.98Å |
| 939 | R | 86.6 | Confident | 85.2 | Confident | 172 Ų | 172 | 66.5 Ų | 66.5 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.2 | 165 | -105.8 | 179 | -76.4 | 156.2 | -2.9 | 114 | M935 D936 W937 | M935-R939 WeakPolarHBondContact O-CB 3.13Å; M935-R939 PolarHBondContact O-N 3.2Å; M935-R939 PolarHBondContact O-NE 3.36Å; M935-R939 VanDerWaalsContact O-NE 3.11Å; D936-R939 IonicContact OD1-CZ 3.9Å; D936-R939 VanDerWaalsContact OD1-CZ 3.22Å; D936-R939 IonicContact OD1-NH1 3.22Å; D936-R939 PolarHBondContact OD1-NH1 3.24Å; D936-R939 IonicContact OD1-NH2 2.69Å; D936-R939 PolarHBondContact OD1-NH2 2.92Å; W937-R939 PolarHBondContact O-N 3.49Å; W937-R939 VanDerWaalsContact O-N 3.13Å |
| 940 | R | 84.3 | Confident | 84.9 | Confident | 190 Ų | 190 | 67.9 Ų | 67.9 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | -19 | -173.2 | -73.8 | 179.4 | -81.9 | -168.8 | -8.2 | 114.5 | D936 W937 | D936-R940 PolarHBondContact O-NE 3.33Å; D936-R940 PolarHBondContact O-NH2 3.28Å; W937-R940 PolarHBondContact O-N 3.12Å |
| 941 | Q | 82 | Confident | 84.7 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | trans | -145.7 | 130.8 | -174.1 | -65.5 | -61.7 | -30.3 | 0 | 0 | 110.4 | W937 F938 | W937-Q941 HydrophobicContact CZ2-CB 4.19Å; W937-Q941 HydrophobicContact CZ2-CG 4.12Å; W937-Q941 PolarHBondContact O-N 3.06Å; F938-Q941 WeakPolarHBondContact CA-O 3.34Å; F938-Q941 WeakPolarHBondContact CD1-O 3.45Å | ||
| 942 | D | 82.6 | Confident | 84.3 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -83.8 | -10.8 | 179.8 | -70.6 | -26.4 | 0 | 0 | 0 | 113.8 | R951 | D942-R951 WeakPolarHBondContact O-CA 3.24Š|
| 943 | E | 85.6 | Confident | 83.7 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -99.6 | 153.1 | -175.7 | -61 | -163.2 | 170.4 | 0 | 0 | 112.9 | W937 | W937-E943 PolarHBondContact NE1-O 2.63Š|
| 944 | C | 85.9 | Confident | 83 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | trans | -57.4 | 128.5 | -179 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | A946 G947 C948 C950 C952 | C944-A946 PolarHBondContact O-N 3.47Å; C944-G947 PolarHBondContact O-N 3.11Å; C944-C948 VanDerWaalsContact CB-SG 3.54Å; C944-C950 HydrophobicContact CB-CB 4.37Å; C944-C950 WeakPolarHBondContact CB-O 3.49Å; C944-C950 PolarHBondContact N-O 2.84Å; C944-C952 VanDerWaalsContact CB-SG 3.56Å | ||
| 945 | P | 85.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 14% | 0.143 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23 | 179.8 | 19.9 | -30.7 | 0 | 0 | 0 | 114.2 | A909 V910 M934 W937 G947 | A909-P945 HydrophobicContact CB-CB 4.26Å; A909-P945 HydrophobicContact CB-CG 3.9Å; V910-P945 HydrophobicContact CG2-CB 3.78Å; V910-P945 HydrophobicContact CG2-CG 4Å; M934-P945 HydrophobicContact CE-CG 3.73Å; M934-P945 HydrophobicContact SD-CG 4.15Å; W937-P945 HydrophobicContact CD2-CB 3.81Å; W937-P945 HydrophobicContact CE3-CB 4.33Å; W937-P945 HydrophobicContact CG-CB 4.1Å; W937-P945 HydrophobicContact CG-CG 4.34Å; W937-P945 HydrophobicContact CZ2-CB 4.09Å; P945-G947 PolarHBondContact O-N 2.87Å |
| 946 | A | 82.1 | Confident | 80.6 | Confident | 48 Ų | 48 | 77.2 Ų | 77.2 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 5.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A909 H927 C944 C948 | A909-A946 HydrophobicContact CB-CB 4.17Å; H927-A946 HydrophobicContact CB-CB 4.11Å; C944-A946 PolarHBondContact O-N 3.47Å; A946-C948 VanDerWaalsContact C-N 3.28Å; A946-C948 PolarHBondContact O-N 3.34Å |
| 947 | G | 81.6 | Confident | 78.7 | Confident | 70 Ų | 70 | 79 Ų | 79 | 72% | 0.722 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 71.6 | 13.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C944 P945 G949 | C944-G947 PolarHBondContact O-N 3.11Å; P945-G947 PolarHBondContact O-N 2.87Å; G947-G949 VanDerWaalsContact C-N 3.29Å; G947-G949 PolarHBondContact O-N 2.96Å |
| 948 | C | 82.1 | Confident | 76.4 | Confident | 51 Ų | 51 | 86.6 Ų | 86.6 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -85.3 | 11.3 | -173.8 | 75.7 | 0 | 0 | 0 | 0 | 115.1 | H927 C944 A946 C950 | H927-C948 PolarHBondContact ND1-SG 3.08Å; C944-C948 VanDerWaalsContact CB-SG 3.54Å; A946-C948 VanDerWaalsContact C-N 3.28Å; A946-C948 PolarHBondContact O-N 3.34Å; C948-C950 PolarHBondContact O-N 3Å; C948-C950 VanDerWaalsContact O-N 3.12Å; C948-C950 PolarHBondContact O-SG 2.92Å |
| 949 | G | 80.3 | Confident | 75.9 | Confident | 50 Ų | 50 | 89.2 Ų | 89.2 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | trans | 65.6 | 9.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G947 | G947-G949 VanDerWaalsContact C-N 3.29Å; G947-G949 PolarHBondContact O-N 2.96Å | ||
| 950 | C | 81.6 | Confident | 75.3 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | trans | -88.3 | 129.8 | -178.9 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | C925 C944 C948 C952 | C925-C950 HydrophobicContact CB-CB 4.02Å; C944-C950 HydrophobicContact CB-CB 4.37Å; C944-C950 WeakPolarHBondContact CB-O 3.49Å; C944-C950 PolarHBondContact N-O 2.84Å; C948-C950 PolarHBondContact O-N 3Å; C948-C950 VanDerWaalsContact O-N 3.12Å; C948-C950 PolarHBondContact O-SG 2.92Å; C950-C952 VanDerWaalsContact C-N 3.32Å; C950-C952 PolarHBondContact O-N 2.68Å | ||
| 951 | R | 83.8 | Confident | 74.8 | Confident | 136 Ų | 136 | 79 Ų | 79 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | trans | -81.9 | 76.7 | 173 | -65.3 | -172.5 | -177.2 | -171.5 | -1.9 | 110.6 | D942 L953 L954 Q955 | D942-R951 WeakPolarHBondContact O-CA 3.24Å; R951-L953 VanDerWaalsContact C-N 3.33Å; R951-L953 PolarHBondContact O-N 3.45Å; R951-L954 HydrophobicContact CB-CB 4.47Å; R951-L954 HydrophobicContact CB-CD1 4.34Å; R951-L954 PolarHBondContact O-N 3.43Å; R951-L954 VanDerWaalsContact O-N 3.12Å; R951-Q955 PolarHBondContact O-N 2.89Å | ||
| 952 | C | 78.3 | Confident | 74.4 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.034 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -54.4 | -43.3 | -167.7 | -65.3 | 0 | 0 | 0 | 0 | 113.9 | C922 F938 C944 C950 L954 Q955 S956 | C922-C952 HydrophobicContact CB-CB 3.82Å; C922-C952 VanDerWaalsContact CB-SG 3.56Å; F938-C952 HydrophobicContact CE1-CB 3.99Å; F938-C952 HydrophobicContact CE2-CB 4.26Å; F938-C952 HydrophobicContact CZ-CB 3.48Å; F938-C952 VanDerWaalsContact CZ-CB 3.48Å; C944-C952 VanDerWaalsContact CB-SG 3.56Å; C950-C952 VanDerWaalsContact C-N 3.32Å; C950-C952 PolarHBondContact O-N 2.68Å; C952-L954 VanDerWaalsContact C-N 3.32Å; C952-L954 PolarHBondContact O-N 2.65Å; C952-Q955 PolarHBondContact O-N 3.13Å; C952-S956 WeakPolarHBondContact O-CB 3.46Å; C952-S956 PolarHBondContact O-N 2.99Å; C952-S956 PolarHBondContact O-OG 3.28Å |
| 953 | L | 74.4 | Confident | 73.9 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | -179.9 | -76.6 | -178.4 | 0 | 0 | 0 | 113.8 | F938 R951 T957 | F938-L953 HydrophobicContact CB-CD1 3.84Å; F938-L953 HydrophobicContact CB-CD2 4.5Å; F938-L953 HydrophobicContact CB-CG 4.18Å; F938-L953 HydrophobicContact CD1-CD1 4.37Å; F938-L953 HydrophobicContact CD1-CG 4.14Å; F938-L953 HydrophobicContact CD2-CD2 4.32Å; F938-L953 HydrophobicContact CD2-CG 4.32Å; F938-L953 HydrophobicContact CG-CD1 4.16Å; F938-L953 HydrophobicContact CG-CD2 4.38Å; F938-L953 HydrophobicContact CG-CG 3.98Å; R951-L953 VanDerWaalsContact C-N 3.33Å; R951-L953 PolarHBondContact O-N 3.45Å; L953-T957 WeakPolarHBondContact O-CG2 3.45Å |
| 954 | L | 70.9 | Confident | 73.1 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -85.9 | -19.9 | -176.5 | -67.5 | 171.4 | 0 | 0 | 0 | 113.1 | R951 C952 T957 | R951-L954 HydrophobicContact CB-CB 4.47Å; R951-L954 HydrophobicContact CB-CD1 4.34Å; R951-L954 PolarHBondContact O-N 3.43Å; R951-L954 VanDerWaalsContact O-N 3.12Å; C952-L954 VanDerWaalsContact C-N 3.32Å; C952-L954 PolarHBondContact O-N 2.65Å; L954-T957 PolarHBondContact O-OG1 3.17Å |
| 955 | Q | 64.1 | Low | 72.2 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -101.6 | -6.3 | -176.6 | -64.4 | -175 | -28.7 | 0 | 0 | 113.4 | S924 R951 C952 | S924-Q955 WeakPolarHBondContact OG-CB 3.49Å; S924-Q955 PolarHBondContact OG-O 2.92Å; R951-Q955 PolarHBondContact O-N 2.89Å; C952-Q955 PolarHBondContact O-N 3.13Å |
| 956 | S | 58.5 | Low | 71.2 | Confident | 51 Ų | 51 | 83.3 Ų | 83.3 | 36% | 0.357 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -102.7 | 7.6 | 176.6 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | C952 | C952-S956 WeakPolarHBondContact O-CB 3.46Å; C952-S956 PolarHBondContact O-N 2.99Å; C952-S956 PolarHBondContact O-OG 3.28Å |
| 957 | T | 48.5 | Very low | 70.2 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | trans | -106.3 | 25.7 | -176.3 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | L953 L954 | L953-T957 WeakPolarHBondContact O-CG2 3.45Å; L954-T957 PolarHBondContact O-OG1 3.17Å | ||
| 958 | F | 39 | Very low | 69.2 | Low | 249 Ų | 249 | 87.7 Ų | 87.7 | 100% | 1.092 | 47% | 0.468 | S | S | * | . | trans | -128.6 | 0 | 177.2 | -79.4 | -79.3 | 0 | 0 | 0 | 111 |
Retrieved 958 of 958 residues in 821.9 ms
(Link to these results)