| 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 | 26.7 | Very low | 29.2 | Very low | 239 Ų | 239 | 156.3 Ų | 156.3 | 100% | 1.177 | 81% | 0.812 | S | S | * | * | 0 | 94.8 | 0 | -80.1 | 179.3 | 166 | 0 | 0 | 108.3 | |||||
| 2 | M | 30.3 | Very low | 29.8 | Very low | 191 Ų | 191 | 156.4 Ų | 156.4 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | trans | -154.3 | 81.1 | 157.6 | -81.5 | -142.8 | 173.2 | 0 | 0 | 105.3 | G4 | M2-G4 PolarHBondContact O-N 2.84Š| ||
| 3 | Y | 31 | Very low | 30.8 | Very low | 234 Ų | 234 | 155.7 Ų | 155.7 | 92% | 0.918 | 81% | 0.81 | S | S | * | * | trans | -72 | 83.3 | 163.3 | -91.8 | -86.4 | 0 | 0 | 0 | 106 | ||||
| 4 | G | 32.4 | Very low | 31.9 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 124.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | M2 K6 | M2-G4 PolarHBondContact O-N 2.84Å; G4-K6 PolarHBondContact O-N 2.84Å | ||
| 5 | D | 30.2 | Very low | 33.4 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -40.8 | 118 | -173.8 | -72.2 | -49.6 | 0 | 0 | 0 | 114.6 | R7 | D5-R7 PolarHBondContact O-N 2.92Å; D5-R7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | K | 27.8 | Very low | 35.4 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -70 | 98.4 | 163.6 | -72.5 | -179.1 | 176.4 | 179.3 | 0 | 107.9 | G4 P8 | G4-K6 PolarHBondContact O-N 2.84Å; K6-P8 WeakPolarHBondContact O-CD 3.36Å | ||
| 7 | R | 26.9 | Very low | 37.7 | Very low | 244 Ų | 244 | 131.9 Ų | 131.9 | 92% | 0.921 | 68% | 0.68 | S | S | * | * | trans | -68.4 | 111.1 | 166.3 | -71 | -179.8 | 177.1 | 173.5 | -1.6 | 109.6 | D5 | D5-R7 PolarHBondContact O-N 2.92Å; D5-R7 VanDerWaalsContact O-N 3.09Å | ||
| 8 | P | 31.1 | Very low | 40.1 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -106.7 | 127.7 | 175.7 | 28.8 | -9.7 | 0 | 0 | 0 | 110.1 | K6 | K6-P8 WeakPolarHBondContact O-CD 3.36Š| ||
| 9 | G | 25.4 | Very low | 42.2 | Very low | 56 Ų | 56 | 125.6 Ų | 125.6 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | trans | 131.2 | 57.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 10 | S | 28 | Very low | 44.2 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -97.1 | 135.1 | 146.7 | 63.4 | 0 | 0 | 0 | 0 | 108.2 | L12 | S10-L12 PolarHBondContact O-N 3.06Š|
| 11 | M | 31.6 | Very low | 45.7 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 66% | 0.655 | 62% | 0.621 | S | S | * | * | trans | -55.5 | 124.7 | -176 | -130.7 | -173.6 | 155.8 | 0 | 0 | 111.1 | L13 Y14 | M11-L13 PolarHBondContact O-N 2.9Å; M11-Y14 PolarHBondContact O-N 3.3Å; M11-Y14 VanDerWaalsContact O-N 3.1Å | ||
| 12 | L | 36.2 | Very low | 47.7 | Very low | 158 Ų | 158 | 111.1 Ų | 111.1 | 83% | 0.827 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 0.4 | -163.9 | -78.4 | 162.7 | 0 | 0 | 0 | 117.5 | S10 | S10-L12 PolarHBondContact O-N 3.06Š|
| 13 | L | 43 | Very low | 49.2 | Very low | 147 Ų | 147 | 105.9 Ų | 105.9 | 77% | 0.77 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -21.7 | 168.7 | -90.2 | 156.1 | 0 | 0 | 0 | 112.3 | M11 | M11-L13 PolarHBondContact O-N 2.9Š|
| 14 | Y | 45.8 | Very low | 50.8 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 33% | 0.333 | 52% | 0.517 | S | S | . | . | trans | -102.8 | 22.9 | -175.1 | -72.9 | -67.9 | 0 | 0 | 0 | 114.7 | M11 Y16 V17 V19 V29 | M11-Y14 PolarHBondContact O-N 3.3Å; M11-Y14 VanDerWaalsContact O-N 3.1Å; Y14-Y16 PolarHBondContact O-N 3.17Å; Y14-V17 PolarHBondContact O-N 3.26Å; Y14-V19 HydrophobicContact CD1-CG2 3.8Å; Y14-V19 HydrophobicContact CE1-CB 4.38Å; Y14-V19 HydrophobicContact CE1-CG2 3.65Å; Y14-V29 HydrophobicContact CE1-CB 3.99Å; Y14-V29 HydrophobicContact CE1-CG1 4.24Å; Y14-V29 PolarHBondContact OH-O 3.09Å | ||
| 15 | S | 54.5 | Low | 52.7 | Low | 53 Ų | 53 | 92.9 Ų | 92.9 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 10.3 | 175.6 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | Q445 | S15-Q445 PolarHBondContact O-NE2 3.29Š|
| 16 | Y | 65.6 | Low | 54.7 | Low | 75 Ų | 75 | 86.2 Ų | 86.2 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -26.3 | -173.8 | -45.1 | -54.8 | 0 | 0 | 0 | 113.9 | Y14 F466 | Y14-Y16 PolarHBondContact O-N 3.17Å; Y16-F466 HydrophobicContact CD1-CB 4.47Å; Y16-F466 AromaticContact CD1-CD1 3.34Å; Y16-F466 HydrophobicContact CD1-CD1 3.34Å; Y16-F466 AromaticContact CD1-CD2 3.5Å; Y16-F466 HydrophobicContact CD1-CD2 3.5Å; Y16-F466 VanDerWaalsContact CD1-CD2 3.5Å; Y16-F466 AromaticContact CD1-CE1 3.27Å; Y16-F466 HydrophobicContact CD1-CE1 3.27Å; Y16-F466 AromaticContact CD1-CE2 3.4Å; Y16-F466 HydrophobicContact CD1-CE2 3.4Å; Y16-F466 AromaticContact CD1-CG 3.47Å; Y16-F466 HydrophobicContact CD1-CG 3.47Å; Y16-F466 VanDerWaalsContact CD1-CG 3.47Å; Y16-F466 AromaticContact CD1-CZ 3.28Å; Y16-F466 HydrophobicContact CD1-CZ 3.28Å; Y16-F466 HydrophobicContact CD2-CD1 4.37Å; Y16-F466 HydrophobicContact CD2-CG 4.37Å; Y16-F466 AromaticContact CE1-CD1 3.22Å; Y16-F466 HydrophobicContact CE1-CD1 3.22Å; Y16-F466 HydrophobicContact CE1-CD2 4.23Å; Y16-F466 AromaticContact CE1-CE1 2.94Å; Y16-F466 HydrophobicContact CE1-CE1 2.94Å; Y16-F466 AromaticContact CE1-CE2 3.99Å; Y16-F466 HydrophobicContact CE1-CE2 3.99Å; Y16-F466 AromaticContact CE1-CG 3.88Å; Y16-F466 HydrophobicContact CE1-CG 3.88Å; Y16-F466 AromaticContact CE1-CZ 3.36Å; Y16-F466 HydrophobicContact CE1-CZ 3.36Å; Y16-F466 HydrophobicContact CE2-CD1 4.25Å; Y16-F466 HydrophobicContact CG-CB 4.3Å; Y16-F466 AromaticContact CG-CD1 3.93Å; Y16-F466 HydrophobicContact CG-CD1 3.93Å; Y16-F466 AromaticContact CG-CD2 3.9Å; Y16-F466 HydrophobicContact CG-CD2 3.9Å; Y16-F466 HydrophobicContact CG-CE1 4.29Å; Y16-F466 HydrophobicContact CG-CE2 4.24Å; Y16-F466 AromaticContact CG-CG 3.73Å; Y16-F466 HydrophobicContact CG-CG 3.73Å; Y16-F466 HydrophobicContact CG-CZ 4.42Å; Y16-F466 AromaticContact CZ-CD1 3.68Å; Y16-F466 AromaticContact CZ-CE1 3.74Å |
| 17 | V | 74.6 | Confident | 57 | Low | 6 Ų | 6 | 78 Ų | 78 | 4% | 0.036 | 42% | 0.417 | C | S | . | . | trans | -150.4 | 128.1 | -174.5 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | Y14 V19 L431 E432 F433 | Y14-V17 PolarHBondContact O-N 3.26Å; V17-V19 HydrophobicContact CB-CG2 4.45Å; V17-V19 HydrophobicContact CG1-CG2 4.1Å; V17-V19 PolarHBondContact O-N 3.1Å; V17-L431 HydrophobicContact CG1-CB 4.01Å; V17-E432 WeakPolarHBondContact CA-O 3.47Å; V17-F433 HydrophobicContact CB-CD1 4.35Å; V17-F433 HydrophobicContact CB-CE1 4.16Å; V17-F433 HydrophobicContact CB-CZ 4.46Å; V17-F433 HydrophobicContact CG1-CD1 4.09Å; V17-F433 HydrophobicContact CG1-CD2 4.12Å; V17-F433 HydrophobicContact CG1-CE1 3.86Å; V17-F433 HydrophobicContact CG1-CE2 3.87Å; V17-F433 HydrophobicContact CG1-CG 4.22Å; V17-F433 HydrophobicContact CG1-CZ 3.73Å; V17-F433 HydrophobicContact CG2-CD1 3.47Å; V17-F433 VanDerWaalsContact CG2-CD1 3.47Å; V17-F433 HydrophobicContact CG2-CE1 3.16Å; V17-F433 HydrophobicContact CG2-CG 4.36Å; V17-F433 HydrophobicContact CG2-CZ 3.84Å | ||
| 18 | N | 80.4 | Confident | 59.2 | Low | 98 Ų | 98 | 69.8 Ų | 69.8 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.1 | 169 | -61.1 | -31.9 | 0 | 0 | 0 | 108.3 | L431 E432 | N18-L431 CarbonylContact O-C 3.48Å; N18-L431 WeakPolarHBondContact O-CA 3.31Å; N18-E432 HydrophobicContact CB-CB 4.15Å; N18-E432 PolarHBondContact N-O 2.68Å; N18-E432 PolarHBondContact ND2-OE2 2.94Å; N18-E432 PolarHBondContact O-N 3.19Å |
| 19 | V | 80.7 | Confident | 61.5 | Low | 46 Ų | 46 | 64.8 Ų | 64.8 | 28% | 0.279 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.7 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | Y14 V17 I21 V29 L431 | Y14-V19 HydrophobicContact CD1-CG2 3.8Å; Y14-V19 HydrophobicContact CE1-CB 4.38Å; Y14-V19 HydrophobicContact CE1-CG2 3.65Å; V17-V19 HydrophobicContact CB-CG2 4.45Å; V17-V19 HydrophobicContact CG1-CG2 4.1Å; V17-V19 PolarHBondContact O-N 3.1Å; V19-I21 HydrophobicContact CG1-CB 4.26Å; V19-I21 HydrophobicContact CG1-CD1 3.65Å; V19-I21 HydrophobicContact CG1-CG1 3.72Å; V19-V29 HydrophobicContact CG1-CG2 4.02Å; V19-V29 HydrophobicContact CG2-CB 4.3Å; V19-V29 HydrophobicContact CG2-CG2 3.91Å; V19-L431 HydrophobicContact CG2-CD2 4.38Å; V19-L431 HydrophobicContact CG2-CG 4.46Å |
| 20 | D | 81.1 | Confident | 63.8 | Low | 101 Ų | 101 | 64.2 Ų | 64.2 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 84 | 173.7 | -168.4 | 15 | 0 | 0 | 0 | 108.4 | G429 K430 | D20-G429 CarbonylContact O-C 3.59Å; D20-G429 WeakPolarHBondContact O-CA 3.29Å; D20-K430 HydrophobicContact CB-CB 4.32Å; D20-K430 PolarHBondContact N-O 2.77Å; D20-K430 PolarHBondContact O-N 3.34Å |
| 21 | I | 77.3 | Confident | 66 | Low | 25 Ų | 25 | 65.5 Ų | 65.5 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.1 | 176.9 | -56.8 | 173.1 | 0 | 0 | 0 | 106.8 | V19 R25 L27 L431 L471 | V19-I21 HydrophobicContact CG1-CB 4.26Å; V19-I21 HydrophobicContact CG1-CD1 3.65Å; V19-I21 HydrophobicContact CG1-CG1 3.72Å; I21-R25 HydrophobicContact CG2-CB 4.03Å; I21-R25 HydrophobicContact CG2-CG 4.35Å; I21-L27 HydrophobicContact CD1-CB 4.42Å; I21-L27 HydrophobicContact CG2-CB 4.17Å; I21-L27 HydrophobicContact CG2-CD1 4.34Å; I21-L431 HydrophobicContact CD1-CD1 4.39Å; I21-L471 HydrophobicContact CD1-CD1 3.88Å |
| 22 | H | 67.3 | Low | 67.9 | Low | 60 Ų | 60 | 61.2 Ų | 61.2 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -66 | 131.5 | 177.6 | -170.2 | -83.6 | 0 | 0 | 0 | 109.8 | S24 R25 R603 | H22-S24 PolarHBondContact CE1-OG 3.18Å; H22-S24 VanDerWaalsContact ND1-CB 3.33Å; H22-S24 WeakPolarHBondContact ND1-CB 3.46Å; H22-S24 PolarHBondContact ND1-N 3.23Å; H22-S24 PolarHBondContact ND1-OG 2.74Å; H22-S24 PolarHBondContact O-N 3.43Å; H22-S24 VanDerWaalsContact O-N 3.13Å; H22-R25 HydrophobicContact CB-CG 4.19Å; H22-R25 VanDerWaalsContact O-CB 3.28Å; H22-R25 WeakPolarHBondContact O-CB 3.46Å; H22-R25 WeakPolarHBondContact O-CG 3.49Å; H22-R25 PolarHBondContact O-N 3.23Å; H22-R603 PolarHBondContact CE1-NH1 3.27Å; H22-R603 PolarHBondContact NE2-NH1 2.75Å | ||
| 23 | P | 62.3 | Low | 69.4 | Low | 81 Ų | 81 | 54.9 Ų | 54.9 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -60.4 | -28.6 | -173.8 | 21 | -32.7 | 0 | 0 | 0 | 113.6 | R25 M26 | P23-R25 PolarHBondContact O-N 3.08Å; P23-R25 VanDerWaalsContact O-N 3.15Å; P23-M26 PolarHBondContact O-N 2.98Å |
| 24 | S | 65 | Low | 70.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -61.1 | -22 | 174.1 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | H22 M26 M602 | H22-S24 PolarHBondContact CE1-OG 3.18Å; H22-S24 VanDerWaalsContact ND1-CB 3.33Å; H22-S24 WeakPolarHBondContact ND1-CB 3.46Å; H22-S24 PolarHBondContact ND1-N 3.23Å; H22-S24 PolarHBondContact ND1-OG 2.74Å; H22-S24 PolarHBondContact O-N 3.43Å; H22-S24 VanDerWaalsContact O-N 3.13Å; S24-M26 PolarHBondContact O-N 3.48Å; S24-M602 VanDerWaalsContact O-CA 3.24Å; S24-M602 WeakPolarHBondContact O-CA 3.29Å |
| 25 | R | 71.9 | Confident | 71.4 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -69.6 | -6.4 | 176.5 | -56 | -61.1 | -168.6 | -177.6 | 5 | 112 | I21 H22 P23 L27 Y402 E426 I428 M602 R603 | I21-R25 HydrophobicContact CG2-CB 4.03Å; I21-R25 HydrophobicContact CG2-CG 4.35Å; H22-R25 HydrophobicContact CB-CG 4.19Å; H22-R25 VanDerWaalsContact O-CB 3.28Å; H22-R25 WeakPolarHBondContact O-CB 3.46Å; H22-R25 WeakPolarHBondContact O-CG 3.49Å; H22-R25 PolarHBondContact O-N 3.23Å; P23-R25 PolarHBondContact O-N 3.08Å; P23-R25 VanDerWaalsContact O-N 3.15Å; R25-L27 HydrophobicContact CB-CD1 4.45Å; R25-L27 PolarHBondContact O-N 3.42Å; R25-L27 VanDerWaalsContact O-N 3.12Å; R25-Y402 WeakPolarHBondContact O-CE2 3.36Å; R25-Y402 PolarHBondContact O-OH 3.46Å; R25-E426 IonicContact NH2-OE1 3.92Å; R25-E426 PolarHBondContact NH2-OE1 2.94Å; R25-I428 HydrophobicContact CB-CG2 4.18Å; R25-I428 HydrophobicContact CG-CG2 3.9Å; R25-M602 WeakPolarHBondContact CD-O 3.44Å; R25-M602 PolarHBondContact NH1-O 3.24Å; R25-M602 VanDerWaalsContact NH1-O 3.08Å; R25-M602 WeakPolarHBondContact O-CE 3.41Å; R25-R603 PolarHBondContact NH1-O 2.83Å |
| 26 | M | 71.2 | Confident | 72.5 | Confident | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | 50 | 42.5 | 178.6 | -61.6 | -171.6 | 78.9 | 0 | 0 | 113.2 | P23 S24 P473 C474 M602 F677 | P23-M26 PolarHBondContact O-N 2.98Å; S24-M26 PolarHBondContact O-N 3.48Å; M26-P473 CarbonylContact O-C 3.6Å; M26-P473 WeakPolarHBondContact O-CA 3.33Å; M26-C474 HydrophobicContact CB-CB 4.14Å; M26-C474 HydrophobicContact CE-CB 4.32Å; M26-C474 PolarHBondContact O-N 3.17Å; M26-M602 HydrophobicContact CB-CE 3.95Å; M26-M602 HydrophobicContact CG-CE 4.29Å; M26-M602 HydrophobicContact CG-CG 4.03Å; M26-M602 HydrophobicContact CG-SD 4.32Å; M26-M602 HydrophobicContact SD-CE 4.25Å; M26-M602 HydrophobicContact SD-CG 3.87Å; M26-M602 HydrophobicContact SD-SD 3.71Å; M26-F677 HydrophobicContact CE-CD2 3.64Å; M26-F677 HydrophobicContact CE-CE2 4.16Å; M26-F677 HydrophobicContact CG-CE2 4.28Å; M26-F677 HydrophobicContact SD-CD2 3.33Å; M26-F677 WeakPolarHBondContact SD-CD2 3.11Å; M26-F677 HydrophobicContact SD-CE2 3.31Å; M26-F677 WeakPolarHBondContact SD-CE2 3.38Å | ||
| 27 | L | 76.9 | Confident | 73.2 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.5 | 172.9 | -69.1 | 171.2 | 0 | 0 | 0 | 107.4 | I21 R25 Y402 L406 I428 L458 L471 | I21-L27 HydrophobicContact CD1-CB 4.42Å; I21-L27 HydrophobicContact CG2-CB 4.17Å; I21-L27 HydrophobicContact CG2-CD1 4.34Å; R25-L27 HydrophobicContact CB-CD1 4.45Å; R25-L27 PolarHBondContact O-N 3.42Å; R25-L27 VanDerWaalsContact O-N 3.12Å; L27-Y402 HydrophobicContact CD2-CD2 3.93Å; L27-Y402 HydrophobicContact CD2-CE2 3.51Å; L27-Y402 HydrophobicContact CG-CE2 3.84Å; L27-L406 HydrophobicContact CD1-CD1 4.1Å; L27-L406 HydrophobicContact CD2-CD1 4.08Å; L27-I428 HydrophobicContact CD1-CG2 3.9Å; L27-L458 HydrophobicContact CD2-CD1 3.65Å; L27-L471 HydrophobicContact CB-CD1 4.18Å; L27-L471 HydrophobicContact CD1-CD2 4.45Å; L27-L471 HydrophobicContact CD2-CD2 4.48Å; L27-L471 HydrophobicContact CD2-CG 4.41Å |
| 28 | Q | 73.2 | Confident | 73.6 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.2 | 174.8 | 61.6 | 179.8 | -6.3 | 0 | 0 | 110.3 | T472 | Q28-T472 VanDerWaalsContact CG-OG1 3.31Å; Q28-T472 WeakPolarHBondContact CG-OG1 3.28Å; Q28-T472 PolarHBondContact N-O 3.08Å; Q28-T472 PolarHBondContact O-N 3.39Å; Q28-T472 PolarHBondContact O-OG1 3.11Å |
| 29 | V | 78.6 | Confident | 73.7 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.9 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | Y14 V19 L431 C469 S470 L471 | Y14-V29 HydrophobicContact CE1-CB 3.99Å; Y14-V29 HydrophobicContact CE1-CG1 4.24Å; Y14-V29 PolarHBondContact OH-O 3.09Å; V19-V29 HydrophobicContact CG1-CG2 4.02Å; V19-V29 HydrophobicContact CG2-CB 4.3Å; V19-V29 HydrophobicContact CG2-CG2 3.91Å; V29-L431 HydrophobicContact CG2-CD2 3.66Å; V29-C469 HydrophobicContact CG1-CB 4.39Å; V29-S470 VanDerWaalsContact CA-O 3.31Å; V29-S470 WeakPolarHBondContact CA-O 3.15Å; V29-L471 HydrophobicContact CG2-CD1 3.67Å |
| 30 | S | 74.4 | Confident | 73.9 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 160.7 | -178.3 | 61 | 0 | 0 | 0 | 0 | 110.8 | C469 S470 | S30-C469 CarbonylContact O-C 3.51Å; S30-C469 VanDerWaalsContact O-CA 3.28Å; S30-C469 WeakPolarHBondContact O-CA 3.41Å; S30-S470 PolarHBondContact N-O 2.88Å; S30-S470 PolarHBondContact O-N 3.46Å; S30-S470 PolarHBondContact O-OG 3.15Å; S30-S470 PolarHBondContact OG-OG 2.97Å |
| 31 | R | 75 | Confident | 74 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.7 | 176.7 | -168.1 | 177.3 | -174.7 | 154.3 | 2.2 | 109.2 | S33 E34 F466 | R31-S33 WeakPolarHBondContact CG-O 3.38Å; R31-S33 PolarHBondContact NE-O 3.1Å; R31-E34 PolarHBondContact NE-O 3.07Å; R31-E34 PolarHBondContact NH2-O 3.41Å; R31-F466 PolarHBondContact NE-O 2.94Å; R31-F466 PolarHBondContact NH2-O 3.35Å |
| 32 | V | 71.3 | Confident | 74.3 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -74.2 | -35.3 | -178.7 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | Y73 I74 L468 S470 | V32-Y73 HydrophobicContact CG1-CD2 4.42Å; V32-I74 HydrophobicContact CG1-CG1 4.33Å; V32-L468 HydrophobicContact CB-CB 4.03Å; V32-L468 HydrophobicContact CG2-CB 4.48Å; V32-L468 PolarHBondContact N-O 3.05Å; V32-S470 VanDerWaalsContact CG2-CB 3.46Å; V32-S470 WeakPolarHBondContact CG2-OG 3.36Å |
| 33 | S | 66.8 | Low | 75.1 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | trans | -143 | 138.3 | -177.2 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | R31 S35 | R31-S33 WeakPolarHBondContact CG-O 3.38Å; R31-S33 PolarHBondContact NE-O 3.1Å; S33-S35 VanDerWaalsContact C-N 3.27Å; S33-S35 PolarHBondContact O-N 2.92Å | ||
| 34 | E | 63.1 | Low | 76 | Confident | 128 Ų | 128 | 50 Ų | 50 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -58.7 | -33.5 | 179.3 | -69.6 | -174.9 | 158.4 | 0 | 0 | 113.7 | R31 | R31-E34 PolarHBondContact NE-O 3.07Å; R31-E34 PolarHBondContact NH2-O 3.41Å |
| 35 | S | 67.9 | Low | 76.6 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | trans | -162.2 | 152.8 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | S33 | S33-S35 VanDerWaalsContact C-N 3.27Å; S33-S35 PolarHBondContact O-N 2.92Å | ||
| 36 | L | 77 | Confident | 76.9 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | trans | -67.7 | 150.9 | 169 | -68.3 | 169 | 0 | 0 | 0 | 110.3 | V38 L41 L44 W71 L462 | L36-V38 PolarHBondContact O-N 2.9Å; L36-L41 HydrophobicContact CB-CB 4.15Å; L36-L41 HydrophobicContact CB-CD1 4.46Å; L36-L41 HydrophobicContact CD1-CD1 4.26Å; L36-L44 HydrophobicContact CD1-CD1 3.95Å; L36-W71 HydrophobicContact CD2-CH2 4.29Å; L36-W71 HydrophobicContact CD2-CZ2 3.73Å; L36-L462 HydrophobicContact CD1-CD1 4.15Å; L36-L462 HydrophobicContact CD2-CD1 3.73Å; L36-L462 HydrophobicContact CG-CD1 4.5Å | ||
| 37 | P | 82.1 | Confident | 77.2 | Confident | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.156 | 31% | 0.308 | C | S | . | . | trans | -55.3 | 142.8 | 171.9 | -19.9 | 30.4 | 0 | 0 | 0 | 111 | F39 P40 L41 W71 C85 | P37-F39 VanDerWaalsContact C-N 3.28Å; P37-F39 PolarHBondContact O-N 3.46Å; P37-F39 VanDerWaalsContact O-N 3.16Å; P37-P40 HydrophobicContact CB-CG 3.98Å; P37-P40 HydrophobicContact CG-CG 4.32Å; P37-P40 WeakPolarHBondContact O-CD 3.37Å; P37-L41 WeakPolarHBondContact O-CB 3.43Å; P37-L41 PolarHBondContact O-N 3.46Å; P37-W71 HydrophobicContact CG-CD2 4.09Å; P37-W71 HydrophobicContact CG-CG 4.14Å; P37-W71 HydrophobicContact CG-CZ2 4.47Å; P37-C85 HydrophobicContact CB-CB 3.84Å; P37-C85 HydrophobicContact CG-CB 4.08Å | ||
| 38 | V | 81.3 | Confident | 77 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 67% | 0.667 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.9 | -41 | -168.7 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | L36 K42 | L36-V38 PolarHBondContact O-N 2.9Å; V38-K42 WeakPolarHBondContact O-CB 3.47Å; V38-K42 PolarHBondContact O-N 3.09Å |
| 39 | F | 83.8 | Confident | 77.2 | Confident | 149 Ų | 149 | 66 Ų | 66 | 65% | 0.654 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.9 | -53.3 | -178.1 | -62.5 | -69.7 | 0 | 0 | 0 | 113.2 | P37 L41 K42 A43 F69 | P37-F39 VanDerWaalsContact C-N 3.28Å; P37-F39 PolarHBondContact O-N 3.46Å; P37-F39 VanDerWaalsContact O-N 3.16Å; F39-L41 VanDerWaalsContact C-N 3.32Å; F39-L41 PolarHBondContact O-N 2.89Å; F39-K42 PolarHBondContact O-N 2.99Å; F39-A43 WeakPolarHBondContact O-CB 3.37Å; F39-A43 PolarHBondContact O-N 3.28Å; F39-F69 HydrophobicContact CB-CD1 4.38Å; F39-F69 HydrophobicContact CB-CE1 3.86Å |
| 40 | P | 83.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -51.9 | -47.3 | 168.9 | -24.6 | 25.2 | 0 | 0 | 0 | 113.2 | P37 K42 A43 L44 F69 W71 C85 | P37-P40 HydrophobicContact CB-CG 3.98Å; P37-P40 HydrophobicContact CG-CG 4.32Å; P37-P40 WeakPolarHBondContact O-CD 3.37Å; P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 2.73Å; P40-A43 PolarHBondContact O-N 3.41Å; P40-A43 VanDerWaalsContact O-N 3.16Å; P40-L44 WeakPolarHBondContact O-CB 3.44Å; P40-L44 WeakPolarHBondContact O-CG 3.46Å; P40-L44 PolarHBondContact O-N 3.28Å; P40-F69 HydrophobicContact CB-CB 4.45Å; P40-F69 HydrophobicContact CB-CG 4.35Å; P40-F69 HydrophobicContact CG-CB 3.88Å; P40-F69 HydrophobicContact CG-CD1 4.08Å; P40-F69 HydrophobicContact CG-CG 3.92Å; P40-W71 HydrophobicContact CB-CH2 3.98Å; P40-W71 HydrophobicContact CB-CZ3 3.98Å; P40-W71 HydrophobicContact CG-CE3 4.14Å; P40-W71 HydrophobicContact CG-CH2 4.07Å; P40-W71 HydrophobicContact CG-CZ3 3.7Å; P40-C85 VanDerWaalsContact CG-SG 3.55Å |
| 41 | L | 82.9 | Confident | 78.1 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | -178.8 | -178.4 | 65.5 | 0 | 0 | 0 | 111.8 | L36 P37 F39 R45 Q465 | L36-L41 HydrophobicContact CB-CB 4.15Å; L36-L41 HydrophobicContact CB-CD1 4.46Å; L36-L41 HydrophobicContact CD1-CD1 4.26Å; P37-L41 WeakPolarHBondContact O-CB 3.43Å; P37-L41 PolarHBondContact O-N 3.46Å; F39-L41 VanDerWaalsContact C-N 3.32Å; F39-L41 PolarHBondContact O-N 2.89Å; L41-R45 VanDerWaalsContact O-CG 3.27Å; L41-R45 WeakPolarHBondContact O-CG 3.43Å; L41-R45 PolarHBondContact O-N 3.38Å; L41-Q465 HydrophobicContact CD1-CB 4.46Å |
| 42 | K | 83.6 | Confident | 78.9 | Confident | 148 Ų | 148 | 60.9 Ų | 60.9 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 176.9 | -171.6 | 176.5 | -179.5 | 179.4 | 0 | 111.3 | V38 F39 P40 R45 T46 | V38-K42 WeakPolarHBondContact O-CB 3.47Å; V38-K42 PolarHBondContact O-N 3.09Å; F39-K42 PolarHBondContact O-N 2.99Å; P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 2.73Å; K42-R45 PolarHBondContact O-N 3.29Å; K42-T46 PolarHBondContact O-N 2.98Å; K42-T46 PolarHBondContact O-OG1 2.98Å |
| 43 | A | 84.2 | Confident | 79.7 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F39 P40 R45 T46 S47 A64 F69 | F39-A43 WeakPolarHBondContact O-CB 3.37Å; F39-A43 PolarHBondContact O-N 3.28Å; P40-A43 PolarHBondContact O-N 3.41Å; P40-A43 VanDerWaalsContact O-N 3.16Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 3.14Å; A43-T46 PolarHBondContact O-N 3.44Å; A43-T46 PolarHBondContact O-OG1 3.32Å; A43-S47 VanDerWaalsContact O-CB 3.24Å; A43-S47 WeakPolarHBondContact O-CB 3.4Å; A43-S47 PolarHBondContact O-N 2.97Å; A43-S47 PolarHBondContact O-OG 2.9Å; A43-A64 HydrophobicContact CB-CB 3.72Å; A43-F69 HydrophobicContact CB-CE2 3.48Å; A43-F69 VanDerWaalsContact CB-CE2 3.48Å; A43-F69 HydrophobicContact CB-CZ 3.76Å |
| 44 | L | 82.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -33.2 | 175.8 | -74 | 173.7 | 0 | 0 | 0 | 112.4 | L36 P40 S50 V62 A64 I448 | L36-L44 HydrophobicContact CD1-CD1 3.95Å; P40-L44 WeakPolarHBondContact O-CB 3.44Å; P40-L44 WeakPolarHBondContact O-CG 3.46Å; P40-L44 PolarHBondContact O-N 3.28Å; L44-S50 VanDerWaalsContact CD2-CB 3.5Å; L44-V62 HydrophobicContact CD1-CG1 4.25Å; L44-V62 HydrophobicContact CD2-CG1 3.66Å; L44-V62 HydrophobicContact CG-CG1 4.04Å; L44-A64 HydrophobicContact CD2-CB 4.48Å; L44-I448 HydrophobicContact CD1-CD1 3.82Å; L44-I448 HydrophobicContact CD2-CD1 3.71Å; L44-I448 HydrophobicContact CG-CD1 4.33Å |
| 45 | R | 76.4 | Confident | 81.7 | Confident | 128 Ų | 128 | 55.5 Ų | 55.5 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.1 | -31.3 | 176.6 | -73.6 | 172.6 | -179.9 | -179.9 | -0.5 | 113.8 | L41 K42 A43 Q465 | L41-R45 VanDerWaalsContact O-CG 3.27Å; L41-R45 WeakPolarHBondContact O-CG 3.43Å; L41-R45 PolarHBondContact O-N 3.38Å; K42-R45 PolarHBondContact O-N 3.29Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 3.14Å; R45-Q465 HydrophobicContact CG-CG 4.11Å |
| 46 | T | 78.5 | Confident | 82 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 64% | 0.644 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -100.7 | -19.8 | -173.3 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | K42 A43 | K42-T46 PolarHBondContact O-N 2.98Å; K42-T46 PolarHBondContact O-OG1 2.98Å; A43-T46 PolarHBondContact O-N 3.44Å; A43-T46 PolarHBondContact O-OG1 3.32Å |
| 47 | S | 77.8 | Confident | 81.7 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.119 | 31% | 0.305 | C | S | . | . | trans | -87 | 129.6 | -172.6 | -56.8 | 0 | 0 | 0 | 0 | 111 | A43 S49 A64 | A43-S47 VanDerWaalsContact O-CB 3.24Å; A43-S47 WeakPolarHBondContact O-CB 3.4Å; A43-S47 PolarHBondContact O-N 2.97Å; A43-S47 PolarHBondContact O-OG 2.9Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-A64 WeakPolarHBondContact OG-CB 3.41Å | ||
| 48 | I | 73.7 | Confident | 81.6 | Confident | 163 Ų | 163 | 57 Ų | 57 | 84% | 0.836 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -70.2 | -34.2 | 175.8 | -57.2 | 166.3 | 0 | 0 | 0 | 110.5 | ||
| 49 | S | 76.5 | Confident | 81.8 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -115.7 | 122 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | S47 G65 | S47-S49 VanDerWaalsContact C-N 3.31Å; S49-G65 PolarHBondContact O-N 3.34Å |
| 50 | S | 84.6 | Confident | 82 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.3 | 172.5 | 65.8 | 0 | 0 | 0 | 0 | 110 | L44 V63 | L44-S50 VanDerWaalsContact CD2-CB 3.5Å; S50-V63 VanDerWaalsContact CA-O 3.25Å; S50-V63 WeakPolarHBondContact CA-O 3.37Å |
| 51 | S | 88.2 | Confident | 82.4 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 155 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 109 | V63 S98 A99 | S51-V63 PolarHBondContact N-O 2.82Å; S51-V63 PolarHBondContact O-N 3.47Å; S51-S98 WeakPolarHBondContact OG-CA 3.41Å; S51-A99 PolarHBondContact OG-N 3.12Å |
| 52 | A | 90.2 | Very high | 82.8 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L60 V61 V62 I448 T449 L462 | A52-L60 HydrophobicContact CB-CD1 4.38Å; A52-V61 CarbonylContact C-O 3.53Å; A52-V61 WeakPolarHBondContact CA-O 3.26Å; A52-V61 WeakPolarHBondContact CB-O 3.46Å; A52-V62 HydrophobicContact CB-CG2 3.9Å; A52-I448 HydrophobicContact CB-CG2 3.88Å; A52-T449 HydrophobicContact CB-CG2 3.51Å; A52-T449 WeakPolarHBondContact O-CB 3.28Å; A52-T449 WeakPolarHBondContact O-CG2 3.32Å; A52-T449 PolarHBondContact O-OG1 3.45Å; A52-T449 VanDerWaalsContact O-OG1 3.12Å; A52-L462 HydrophobicContact CB-CD2 3.43Å; A52-L462 VanDerWaalsContact CB-CD2 3.43Å |
| 53 | R | 89.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 37.5 Ų | 37.5 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.4 | -179.8 | -174.6 | 173.2 | -177.6 | 174 | 5 | 109.7 | F55 V61 A99 S100 L162 E163 | R53-F55 HydrophobicContact CB-CE2 3.99Å; R53-F55 HydrophobicContact CG-CD2 4.42Å; R53-F55 HydrophobicContact CG-CE2 3.89Å; R53-F55 HydrophobicContact CG-CZ 4.11Å; R53-V61 PolarHBondContact N-O 2.94Å; R53-V61 PolarHBondContact O-N 2.94Å; R53-A99 HydrophobicContact CB-CB 3.89Å; R53-S100 PolarHBondContact NH1-O 3.18Å; R53-L162 PolarHBondContact NH1-O 3.39Å; R53-E163 IonicContact CZ-OE2 2.69Å; R53-E163 IonicContact NH2-OE1 2.85Å; R53-E163 IonicContact NH2-OE2 3.7Å; R53-E163 PolarHBondContact NH2-OE2 2.98Å |
| 54 | F | 87 | Confident | 83.4 | Confident | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.9 | 171.3 | -67.6 | -88.5 | 0 | 0 | 0 | 109.8 | L60 Y73 T449 G451 T453 I460 L462 L468 | F54-L60 HydrophobicContact CD1-CD1 3.91Å; F54-L60 HydrophobicContact CD2-CD1 4.4Å; F54-L60 HydrophobicContact CE1-CD1 3.87Å; F54-L60 HydrophobicContact CE1-CD2 4.31Å; F54-L60 HydrophobicContact CE2-CD1 4.4Å; F54-L60 HydrophobicContact CG-CD1 4.19Å; F54-L60 HydrophobicContact CZ-CD1 4.13Å; F54-Y73 HydrophobicContact CD1-CD1 4.24Å; F54-Y73 AromaticContact CD1-CE1 3.71Å; F54-Y73 HydrophobicContact CD1-CE1 3.71Å; F54-Y73 HydrophobicContact CE1-CD1 4.31Å; F54-Y73 HydrophobicContact CE1-CE1 4.09Å; F54-T449 HydrophobicContact CD2-CG2 4.14Å; F54-T449 HydrophobicContact CE2-CG2 3.7Å; F54-G451 VanDerWaalsContact CE2-N 3.31Å; F54-T453 HydrophobicContact CB-CG2 4.36Å; F54-I460 HydrophobicContact CE1-CB 4.26Å; F54-I460 HydrophobicContact CE1-CG2 3.83Å; F54-I460 HydrophobicContact CZ-CB 4.06Å; F54-I460 HydrophobicContact CZ-CG2 3.65Å; F54-L462 HydrophobicContact CZ-CB 4.39Å; F54-L468 HydrophobicContact CE1-CD2 3.93Å; F54-L468 HydrophobicContact CZ-CD2 3.69Å |
| 55 | F | 84 | Confident | 83.6 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | trans | -115.8 | 169.6 | 174.4 | -72.3 | -91.2 | 0 | 0 | 0 | 110 | R53 W59 V61 I102 L104 T453 | R53-F55 HydrophobicContact CB-CE2 3.99Å; R53-F55 HydrophobicContact CG-CD2 4.42Å; R53-F55 HydrophobicContact CG-CE2 3.89Å; R53-F55 HydrophobicContact CG-CZ 4.11Å; F55-W59 HydrophobicContact CB-CB 4.22Å; F55-W59 PolarHBondContact N-O 3.12Å; F55-V61 HydrophobicContact CD2-CB 4.21Å; F55-V61 HydrophobicContact CD2-CG2 3.84Å; F55-V61 HydrophobicContact CE2-CB 3.77Å; F55-V61 HydrophobicContact CE2-CG2 3.55Å; F55-I102 VanDerWaalsContact CZ-O 3.31Å; F55-I102 WeakPolarHBondContact CZ-O 3.18Å; F55-L104 HydrophobicContact CB-CD1 3.73Å; F55-L104 HydrophobicContact CD1-CB 4.34Å; F55-L104 HydrophobicContact CD1-CD1 3.99Å; F55-L104 HydrophobicContact CD1-CG 4Å; F55-L104 HydrophobicContact CD2-CD1 3.81Å; F55-L104 HydrophobicContact CD2-CG 4.21Å; F55-L104 HydrophobicContact CE1-CG 4.17Å; F55-L104 HydrophobicContact CE2-CD1 4.44Å; F55-L104 HydrophobicContact CE2-CG 4.38Å; F55-L104 HydrophobicContact CG-CD1 3.56Å; F55-L104 HydrophobicContact CG-CG 4.02Å; F55-L104 HydrophobicContact CZ-CG 4.36Å; F55-T453 PolarHBondContact O-OG1 3Å; F55-T453 VanDerWaalsContact O-OG1 3.07Å | ||
| 56 | A | 73.7 | Confident | 84.1 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -58.7 | 161.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E58 | A56-E58 VanDerWaalsContact C-N 3.29Å; A56-E58 PolarHBondContact O-N 2.92Å |
| 57 | N | 71.8 | Confident | 84.7 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 34.1 | 178.4 | -54.3 | -19.6 | 0 | 0 | 0 | 114.3 | W59 K72 L115 | N57-W59 VanDerWaalsContact C-N 3.3Å; N57-W59 PolarHBondContact O-N 2.95Å; N57-K72 WeakPolarHBondContact O-CE 3.18Å; N57-L115 PolarHBondContact ND2-O 3.32Å |
| 58 | E | 78.9 | Confident | 85.4 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 28.3 | 171.5 | -47 | 162.3 | 173.8 | 0 | 0 | 113.7 | A56 K72 Y73 I74 K539 | A56-E58 VanDerWaalsContact C-N 3.29Å; A56-E58 PolarHBondContact O-N 2.92Å; E58-K72 HydrophobicContact CB-CG 4.15Å; E58-K72 CarbonylContact O-C 3.57Å; E58-K72 WeakPolarHBondContact O-CA 3.42Å; E58-K72 WeakPolarHBondContact O-CG 3.35Å; E58-K72 WeakPolarHBondContact OE2-CE 3.5Å; E58-K72 IonicContact OE2-NZ 2.68Å; E58-K72 PolarHBondContact OE2-NZ 3.17Å; E58-Y73 VanDerWaalsContact C-CD1 3.41Å; E58-Y73 HydrophobicContact CB-CE1 4.09Å; E58-Y73 WeakPolarHBondContact O-CD1 3.21Å; E58-Y73 VanDerWaalsContact O-CE1 3.28Å; E58-Y73 WeakPolarHBondContact O-CE1 3.41Å; E58-Y73 PolarHBondContact O-N 3.21Å; E58-I74 HydrophobicContact CB-CB 4.34Å; E58-I74 HydrophobicContact CB-CD1 4.38Å; E58-I74 HydrophobicContact CB-CG1 4.31Å; E58-I74 HydrophobicContact CG-CB 4.42Å; E58-I74 HydrophobicContact CG-CD1 3.91Å; E58-I74 HydrophobicContact CG-CG1 4.34Å; E58-K539 IonicContact OE1-NZ 3.77Å; E58-K539 PolarHBondContact OE1-NZ 3.44Å |
| 59 | W | 85.5 | Confident | 86.3 | Confident | 24 Ų | 24 | 29.4 Ų | 29.4 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.5 | 175.5 | -71.6 | 91.4 | 0 | 0 | 0 | 111.8 | F55 N57 L70 K72 L104 P117 | F55-W59 HydrophobicContact CB-CB 4.22Å; F55-W59 PolarHBondContact N-O 3.12Å; N57-W59 VanDerWaalsContact C-N 3.3Å; N57-W59 PolarHBondContact O-N 2.95Å; W59-L70 HydrophobicContact CB-CD1 4.43Å; W59-L70 HydrophobicContact CD2-CD1 4.42Å; W59-L70 HydrophobicContact CE3-CD1 3.62Å; W59-L70 HydrophobicContact CE3-CD2 4.43Å; W59-L70 HydrophobicContact CE3-CG 3.8Å; W59-L70 HydrophobicContact CZ3-CD1 4.32Å; W59-L70 HydrophobicContact CZ3-CD2 4.43Å; W59-L70 HydrophobicContact CZ3-CG 3.98Å; W59-K72 HydrophobicContact CD2-CB 4.44Å; W59-K72 HydrophobicContact CE3-CB 4.39Å; W59-K72 HydrophobicContact CH2-CB 4.42Å; W59-K72 HydrophobicContact CZ2-CB 4.42Å; W59-K72 HydrophobicContact CZ3-CB 4.4Å; W59-L104 HydrophobicContact CB-CD1 4.04Å; W59-P117 HydrophobicContact CD2-CG 3.99Å; W59-P117 HydrophobicContact CE3-CG 4.46Å; W59-P117 HydrophobicContact CG-CG 4.36Å; W59-P117 HydrophobicContact CZ2-CG 4.08Å |
| 60 | L | 88.6 | Confident | 87 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.9 | 175.9 | 177.7 | 58.4 | 0 | 0 | 0 | 109.6 | A52 F54 V62 W71 Y73 L462 L468 | A52-L60 HydrophobicContact CB-CD1 4.38Å; F54-L60 HydrophobicContact CD1-CD1 3.91Å; F54-L60 HydrophobicContact CD2-CD1 4.4Å; F54-L60 HydrophobicContact CE1-CD1 3.87Å; F54-L60 HydrophobicContact CE1-CD2 4.31Å; F54-L60 HydrophobicContact CE2-CD1 4.4Å; F54-L60 HydrophobicContact CG-CD1 4.19Å; F54-L60 HydrophobicContact CZ-CD1 4.13Å; L60-V62 HydrophobicContact CD1-CG2 4.5Å; L60-V62 HydrophobicContact CD2-CG2 4.48Å; L60-V62 HydrophobicContact CG-CG2 4.2Å; L60-W71 HydrophobicContact CB-CZ2 4.45Å; L60-W71 HydrophobicContact CD2-CH2 3.78Å; L60-W71 HydrophobicContact CD2-CZ2 3.38Å; L60-W71 HydrophobicContact CG-CH2 4.06Å; L60-W71 HydrophobicContact CG-CZ2 4.01Å; L60-W71 PolarHBondContact N-O 3.1Å; L60-W71 PolarHBondContact O-N 2.75Å; L60-Y73 HydrophobicContact CB-CD1 3.76Å; L60-Y73 HydrophobicContact CB-CG 4.42Å; L60-L462 HydrophobicContact CD2-CD1 4.44Å; L60-L462 HydrophobicContact CD2-CD2 4.4Å; L60-L468 HydrophobicContact CD2-CD1 4.23Å; L60-L468 HydrophobicContact CD2-CD2 4.05Å |
| 61 | V | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.9 | 171.9 | 161.6 | 0 | 0 | 0 | 0 | 108.8 | A52 R53 F55 V63 L68 F69 L70 A99 I102 L104 | A52-V61 CarbonylContact C-O 3.53Å; A52-V61 WeakPolarHBondContact CA-O 3.26Å; A52-V61 WeakPolarHBondContact CB-O 3.46Å; R53-V61 PolarHBondContact N-O 2.94Å; R53-V61 PolarHBondContact O-N 2.94Å; F55-V61 HydrophobicContact CD2-CB 4.21Å; F55-V61 HydrophobicContact CD2-CG2 3.84Å; F55-V61 HydrophobicContact CE2-CB 3.77Å; F55-V61 HydrophobicContact CE2-CG2 3.55Å; V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-L68 HydrophobicContact CB-CD1 4.37Å; V61-L68 HydrophobicContact CG1-CD1 3.39Å; V61-L68 HydrophobicContact CG2-CD1 4.36Å; V61-F69 WeakPolarHBondContact CA-O 3.25Å; V61-L70 HydrophobicContact CG2-CD1 3.61Å; V61-A99 HydrophobicContact CG1-CB 4.17Å; V61-I102 HydrophobicContact CG1-CB 4.34Å; V61-I102 HydrophobicContact CG1-CD1 3.75Å; V61-I102 HydrophobicContact CG1-CG2 4.17Å; V61-I102 HydrophobicContact CG2-CG2 4.37Å; V61-L104 HydrophobicContact CG2-CD2 4.39Å |
| 62 | V | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.8 | 170.6 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | L44 A52 L60 F69 W71 L462 | L44-V62 HydrophobicContact CD1-CG1 4.25Å; L44-V62 HydrophobicContact CD2-CG1 3.66Å; L44-V62 HydrophobicContact CG-CG1 4.04Å; A52-V62 HydrophobicContact CB-CG2 3.9Å; L60-V62 HydrophobicContact CD1-CG2 4.5Å; L60-V62 HydrophobicContact CD2-CG2 4.48Å; L60-V62 HydrophobicContact CG-CG2 4.2Å; V62-F69 HydrophobicContact CB-CB 4.48Å; V62-F69 PolarHBondContact N-O 2.86Å; V62-F69 PolarHBondContact O-N 3.28Å; V62-W71 HydrophobicContact CB-CH2 4.18Å; V62-W71 HydrophobicContact CB-CZ3 3.98Å; V62-W71 HydrophobicContact CG2-CH2 3.4Å; V62-W71 HydrophobicContact CG2-CZ3 3.65Å; V62-L462 HydrophobicContact CG2-CD2 4.09Å |
| 63 | V | 92.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.4 | 170.8 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | S50 S51 V61 K67 L68 L90 H97 A99 I102 | S50-V63 VanDerWaalsContact CA-O 3.25Å; S50-V63 WeakPolarHBondContact CA-O 3.37Å; S51-V63 PolarHBondContact N-O 2.82Å; S51-V63 PolarHBondContact O-N 3.47Å; V61-V63 HydrophobicContact CG1-CG2 4.42Å; V63-K67 WeakPolarHBondContact CA-O 3.39Å; V63-L68 HydrophobicContact CG2-CD1 4.32Å; V63-L90 HydrophobicContact CG1-CD1 3.73Å; V63-L90 HydrophobicContact CG2-CD1 4.39Å; V63-H97 HydrophobicContact CG1-CB 3.68Å; V63-A99 HydrophobicContact CG2-CB 4.02Å; V63-I102 HydrophobicContact CG2-CD1 3.21Å; V63-I102 HydrophobicContact CG2-CG1 4.38Å |
| 64 | A | 89.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 106.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | A43 L44 S47 N66 K67 F69 | A43-A64 HydrophobicContact CB-CB 3.72Å; L44-A64 HydrophobicContact CD2-CB 4.48Å; S47-A64 WeakPolarHBondContact OG-CB 3.41Å; A64-N66 PolarHBondContact O-N 3.47Å; A64-K67 PolarHBondContact N-O 3.2Å; A64-K67 VanDerWaalsContact N-O 3.08Å; A64-K67 PolarHBondContact O-N 3.16Å; A64-F69 HydrophobicContact CB-CE2 4.37Å |
| 65 | G | 86.1 | Confident | 84.2 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -124.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S49 | S49-G65 PolarHBondContact O-N 3.34Š|
| 66 | N | 87.9 | Confident | 82.8 | Confident | 109 Ų | 109 | 36.3 Ų | 36.3 | 58% | 0.583 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | 13.4 | -177.7 | -62.7 | -2.7 | 0 | 0 | 0 | 113.4 | A64 L90 | A64-N66 PolarHBondContact O-N 3.47Å; N66-L90 WeakPolarHBondContact O-CB 3.4Å; N66-L90 PolarHBondContact O-N 3.16Å |
| 67 | K | 90.8 | Very high | 81.6 | Confident | 105 Ų | 105 | 36.5 Ų | 36.5 | 46% | 0.457 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.1 | 179.9 | -68.6 | -168.2 | 173.5 | -170.8 | 0 | 111.4 | V63 A64 F69 | V63-K67 WeakPolarHBondContact CA-O 3.39Å; A64-K67 PolarHBondContact N-O 3.2Å; A64-K67 VanDerWaalsContact N-O 3.08Å; A64-K67 PolarHBondContact O-N 3.16Å; K67-F69 HydrophobicContact CB-CE2 3.79Å; K67-F69 HydrophobicContact CB-CZ 3.86Å; K67-F69 HydrophobicContact CD-CZ 4.07Å |
| 68 | L | 92.3 | Very high | 80.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.9 | 171.3 | 165.3 | 59.4 | 0 | 0 | 0 | 108.9 | V61 V63 S87 F88 L90 I102 W133 | V61-L68 HydrophobicContact CB-CD1 4.37Å; V61-L68 HydrophobicContact CG1-CD1 3.39Å; V61-L68 HydrophobicContact CG2-CD1 4.36Å; V63-L68 HydrophobicContact CG2-CD1 4.32Å; L68-S87 CarbonylContact O-C 3.48Å; L68-S87 VanDerWaalsContact O-CA 3.31Å; L68-S87 WeakPolarHBondContact O-CA 3.37Å; L68-F88 HydrophobicContact CB-CB 4.18Å; L68-F88 HydrophobicContact CD2-CB 4.22Å; L68-F88 HydrophobicContact CD2-CD2 4.13Å; L68-F88 HydrophobicContact CD2-CG 4.43Å; L68-F88 HydrophobicContact CG-CB 4.37Å; L68-F88 HydrophobicContact CG-CD2 4.13Å; L68-F88 PolarHBondContact N-O 3.39Å; L68-F88 PolarHBondContact O-N 3.03Å; L68-L90 HydrophobicContact CB-CD1 4.39Å; L68-L90 HydrophobicContact CB-CD2 3.97Å; L68-L90 HydrophobicContact CB-CG 4.05Å; L68-L90 HydrophobicContact CD2-CD2 4.47Å; L68-I102 HydrophobicContact CD1-CD1 3.41Å; L68-I102 VanDerWaalsContact CD1-CD1 3.41Å; L68-I102 HydrophobicContact CD1-CG2 4.49Å; L68-I102 HydrophobicContact CD2-CD1 4.04Å; L68-I102 HydrophobicContact CD2-CG2 4.35Å; L68-I102 HydrophobicContact CG-CD1 4.17Å; L68-W133 HydrophobicContact CD2-CZ3 4.42Å |
| 69 | F | 92.2 | Very high | 79 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.7 | 171.9 | -57.3 | -80.6 | 0 | 0 | 0 | 110.2 | F39 P40 A43 V61 V62 A64 K67 W71 M86 | F39-F69 HydrophobicContact CB-CD1 4.38Å; F39-F69 HydrophobicContact CB-CE1 3.86Å; P40-F69 HydrophobicContact CB-CB 4.45Å; P40-F69 HydrophobicContact CB-CG 4.35Å; P40-F69 HydrophobicContact CG-CB 3.88Å; P40-F69 HydrophobicContact CG-CD1 4.08Å; P40-F69 HydrophobicContact CG-CG 3.92Å; A43-F69 HydrophobicContact CB-CE2 3.48Å; A43-F69 VanDerWaalsContact CB-CE2 3.48Å; A43-F69 HydrophobicContact CB-CZ 3.76Å; V61-F69 WeakPolarHBondContact CA-O 3.25Å; V62-F69 HydrophobicContact CB-CB 4.48Å; V62-F69 PolarHBondContact N-O 2.86Å; V62-F69 PolarHBondContact O-N 3.28Å; A64-F69 HydrophobicContact CB-CE2 4.37Å; K67-F69 HydrophobicContact CB-CE2 3.79Å; K67-F69 HydrophobicContact CB-CZ 3.86Å; K67-F69 HydrophobicContact CD-CZ 4.07Å; F69-W71 HydrophobicContact CB-CE3 4.31Å; F69-W71 HydrophobicContact CB-CZ3 4Å; F69-M86 CarbonylContact C-O 3.53Å; F69-M86 WeakPolarHBondContact CA-O 3.27Å |
| 70 | L | 90.6 | Very high | 77.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.2 | -178.6 | 174.9 | 67.3 | 0 | 0 | 0 | 109.5 | W59 V61 M86 F88 L104 L136 | W59-L70 HydrophobicContact CB-CD1 4.43Å; W59-L70 HydrophobicContact CD2-CD1 4.42Å; W59-L70 HydrophobicContact CE3-CD1 3.62Å; W59-L70 HydrophobicContact CE3-CD2 4.43Å; W59-L70 HydrophobicContact CE3-CG 3.8Å; W59-L70 HydrophobicContact CZ3-CD1 4.32Å; W59-L70 HydrophobicContact CZ3-CD2 4.43Å; W59-L70 HydrophobicContact CZ3-CG 3.98Å; V61-L70 HydrophobicContact CG2-CD1 3.61Å; L70-M86 PolarHBondContact N-O 3.29Å; L70-M86 PolarHBondContact O-N 3.49Å; L70-F88 HydrophobicContact CB-CE2 4.18Å; L70-F88 HydrophobicContact CD2-CE2 4.35Å; L70-L104 HydrophobicContact CD1-CD1 4.07Å; L70-L104 HydrophobicContact CD1-CD2 4.07Å; L70-L104 HydrophobicContact CD2-CD2 4.11Å; L70-L136 HydrophobicContact CD2-CD1 3.83Å; L70-L136 HydrophobicContact CD2-CD2 3.82Å; L70-L136 HydrophobicContact CD2-CG 4.47Å |
| 71 | W | 87 | Confident | 75.1 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 163.9 | 172.5 | 73.1 | 102.2 | 0 | 0 | 0 | 111.5 | L36 P37 P40 L60 V62 F69 C85 | L36-W71 HydrophobicContact CD2-CH2 4.29Å; L36-W71 HydrophobicContact CD2-CZ2 3.73Å; P37-W71 HydrophobicContact CG-CD2 4.09Å; P37-W71 HydrophobicContact CG-CG 4.14Å; P37-W71 HydrophobicContact CG-CZ2 4.47Å; P40-W71 HydrophobicContact CB-CH2 3.98Å; P40-W71 HydrophobicContact CB-CZ3 3.98Å; P40-W71 HydrophobicContact CG-CE3 4.14Å; P40-W71 HydrophobicContact CG-CH2 4.07Å; P40-W71 HydrophobicContact CG-CZ3 3.7Å; L60-W71 HydrophobicContact CB-CZ2 4.45Å; L60-W71 HydrophobicContact CD2-CH2 3.78Å; L60-W71 HydrophobicContact CD2-CZ2 3.38Å; L60-W71 HydrophobicContact CG-CH2 4.06Å; L60-W71 HydrophobicContact CG-CZ2 4.01Å; L60-W71 PolarHBondContact N-O 3.1Å; L60-W71 PolarHBondContact O-N 2.75Å; V62-W71 HydrophobicContact CB-CH2 4.18Å; V62-W71 HydrophobicContact CB-CZ3 3.98Å; V62-W71 HydrophobicContact CG2-CH2 3.4Å; V62-W71 HydrophobicContact CG2-CZ3 3.65Å; F69-W71 HydrophobicContact CB-CE3 4.31Å; F69-W71 HydrophobicContact CB-CZ3 4Å; W71-C85 HydrophobicContact CB-CB 4.03Å |
| 72 | K | 83.2 | Confident | 73 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.3 | 170.7 | -162.8 | -179.9 | -174.4 | -162.1 | 0 | 109.2 | N57 E58 W59 | N57-K72 WeakPolarHBondContact O-CE 3.18Å; E58-K72 HydrophobicContact CB-CG 4.15Å; E58-K72 CarbonylContact O-C 3.57Å; E58-K72 WeakPolarHBondContact O-CA 3.42Å; E58-K72 WeakPolarHBondContact O-CG 3.35Å; E58-K72 WeakPolarHBondContact OE2-CE 3.5Å; E58-K72 IonicContact OE2-NZ 2.68Å; E58-K72 PolarHBondContact OE2-NZ 3.17Å; W59-K72 HydrophobicContact CD2-CB 4.44Å; W59-K72 HydrophobicContact CE3-CB 4.39Å; W59-K72 HydrophobicContact CH2-CB 4.42Å; W59-K72 HydrophobicContact CZ2-CB 4.42Å; W59-K72 HydrophobicContact CZ3-CB 4.4Å |
| 73 | Y | 79.1 | Confident | 71.4 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -84.7 | -18.7 | -169.3 | 64.6 | -94.4 | 0 | 0 | 0 | 114.5 | V32 F54 E58 L60 I460 L468 | V32-Y73 HydrophobicContact CG1-CD2 4.42Å; F54-Y73 HydrophobicContact CD1-CD1 4.24Å; F54-Y73 AromaticContact CD1-CE1 3.71Å; F54-Y73 HydrophobicContact CD1-CE1 3.71Å; F54-Y73 HydrophobicContact CE1-CD1 4.31Å; F54-Y73 HydrophobicContact CE1-CE1 4.09Å; E58-Y73 VanDerWaalsContact C-CD1 3.41Å; E58-Y73 HydrophobicContact CB-CE1 4.09Å; E58-Y73 WeakPolarHBondContact O-CD1 3.21Å; E58-Y73 VanDerWaalsContact O-CE1 3.28Å; E58-Y73 WeakPolarHBondContact O-CE1 3.41Å; E58-Y73 PolarHBondContact O-N 3.21Å; L60-Y73 HydrophobicContact CB-CD1 3.76Å; L60-Y73 HydrophobicContact CB-CG 4.42Å; Y73-I460 HydrophobicContact CE2-CD1 3.51Å; Y73-I460 WeakPolarHBondContact OH-CD1 3.46Å; Y73-L468 HydrophobicContact CD2-CD1 4.04Å; Y73-L468 HydrophobicContact CG-CD1 4.03Å |
| 74 | I | 70 | Confident | 70.3 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -100.4 | 128.9 | 172.2 | -56.9 | -176 | 0 | 0 | 0 | 109.3 | V32 E58 D454 | V32-I74 HydrophobicContact CG1-CG1 4.33Å; E58-I74 HydrophobicContact CB-CB 4.34Å; E58-I74 HydrophobicContact CB-CD1 4.38Å; E58-I74 HydrophobicContact CB-CG1 4.31Å; E58-I74 HydrophobicContact CG-CB 4.42Å; E58-I74 HydrophobicContact CG-CD1 3.91Å; E58-I74 HydrophobicContact CG-CG1 4.34Å; I74-D454 VanDerWaalsContact CD1-OD2 3.23Å; I74-D454 WeakPolarHBondContact CD1-OD2 3.47Å |
| 75 | R | 62.8 | Low | 70.1 | Confident | 120 Ų | 120 | 64.8 Ų | 64.8 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | trans | -77.2 | 130.6 | 177.2 | -66 | -177.1 | -176.3 | 167.9 | 1 | 109.6 | P81 | R75-P81 PolarHBondContact NH2-O 3.11Š| ||
| 76 | S | 54.1 | Low | 70.2 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -93.8 | -10.9 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 114 | ||
| 77 | S | 48.1 | Very low | 70.3 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | trans | -163.4 | 150 | 179.8 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | T79 | S77-T79 PolarHBondContact O-N 3.22Å; S77-T79 PolarHBondContact OG-OG1 3.07Å | ||
| 78 | N | 48.7 | Very low | 70.3 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.6 | 175.5 | -90.9 | 2.5 | 0 | 0 | 0 | 114.4 | Q80 S528 | N78-Q80 VanDerWaalsContact C-N 3.28Å; N78-Q80 PolarHBondContact O-N 3.24Å; N78-S528 VanDerWaalsContact CG-O 3.28Å; N78-S528 PolarHBondContact ND2-O 2.84Å; N78-S528 VanDerWaalsContact OD1-CB 3.31Å; N78-S528 WeakPolarHBondContact OD1-CB 3.2Å; N78-S528 PolarHBondContact OD1-O 2.99Å; N78-S528 PolarHBondContact OD1-OG 3.46Å |
| 79 | T | 47.8 | Very low | 70.2 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8.8 | -168.5 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | S77 | S77-T79 PolarHBondContact O-N 3.22Å; S77-T79 PolarHBondContact OG-OG1 3.07Å |
| 80 | Q | 44.7 | Very low | 70.2 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 35% | 0.35 | S | S | * | . | trans | -127.2 | 108.7 | 172.7 | -78.2 | -177.7 | -11.5 | 0 | 0 | 110.3 | N78 H82 | N78-Q80 VanDerWaalsContact C-N 3.28Å; N78-Q80 PolarHBondContact O-N 3.24Å; Q80-H82 PolarHBondContact O-N 2.61Å; Q80-H82 VanDerWaalsContact O-N 3.12Å | ||
| 81 | P | 47.2 | Very low | 70.1 | Confident | 87 Ų | 87 | 62.9 Ų | 62.9 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -66.9 | -13.7 | -177.8 | 25.1 | -33.1 | 0 | 0 | 0 | 113.5 | R75 | R75-P81 PolarHBondContact NH2-O 3.11Š|
| 82 | H | 48.4 | Very low | 70 | Confident | 149 Ų | 149 | 66.2 Ų | 66.2 | 69% | 0.69 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -130 | 120.5 | -178.3 | -53.3 | -49 | 0 | 0 | 0 | 109.8 | Q80 S84 | Q80-H82 PolarHBondContact O-N 2.61Å; Q80-H82 VanDerWaalsContact O-N 3.12Å; H82-S84 PolarHBondContact O-N 3.28Å |
| 83 | S | 57.6 | Low | 70.1 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | trans | -59.8 | 123.1 | 164.7 | 65.8 | 0 | 0 | 0 | 0 | 107.3 | C85 | S83-C85 PolarHBondContact O-N 3.04Š| ||
| 84 | S | 69.3 | Low | 70.2 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 57% | 0.573 | 41% | 0.413 | S | S | * | . | trans | -61.9 | 98.9 | 176 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | H82 | H82-S84 PolarHBondContact O-N 3.28Š| ||
| 85 | C | 84.2 | Confident | 70.9 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 22% | 0.223 | 42% | 0.419 | C | S | . | . | trans | -82.8 | 120.5 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | P37 P40 W71 S83 | P37-C85 HydrophobicContact CB-CB 3.84Å; P37-C85 HydrophobicContact CG-CB 4.08Å; P40-C85 VanDerWaalsContact CG-SG 3.55Å; W71-C85 HydrophobicContact CB-CB 4.03Å; S83-C85 PolarHBondContact O-N 3.04Å | ||
| 86 | M | 87.5 | Confident | 71.9 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137 | 179.9 | -57.1 | 176.9 | -167.5 | 0 | 0 | 109 | F69 L70 F88 L136 | F69-M86 CarbonylContact C-O 3.53Å; F69-M86 WeakPolarHBondContact CA-O 3.27Å; L70-M86 PolarHBondContact N-O 3.29Å; L70-M86 PolarHBondContact O-N 3.49Å; M86-F88 HydrophobicContact CB-CE2 3.61Å; M86-F88 HydrophobicContact CB-CZ 3.95Å; M86-F88 HydrophobicContact SD-CZ 4.45Å; M86-L136 HydrophobicContact SD-CB 3.77Å; M86-L136 HydrophobicContact SD-CD1 4.48Å |
| 87 | S | 90 | Very high | 73.5 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135 | 177.6 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | L68 N139 | L68-S87 CarbonylContact O-C 3.48Å; L68-S87 VanDerWaalsContact O-CA 3.31Å; L68-S87 WeakPolarHBondContact O-CA 3.37Å; S87-N139 WeakPolarHBondContact O-CB 3.49Å; S87-N139 PolarHBondContact O-ND2 2.91Å |
| 88 | F | 91.4 | Very high | 75.5 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.6 | -179.4 | -53.7 | -93.5 | 0 | 0 | 0 | 110.5 | L68 L70 M86 W133 L136 N139 | L68-F88 HydrophobicContact CB-CB 4.18Å; L68-F88 HydrophobicContact CD2-CB 4.22Å; L68-F88 HydrophobicContact CD2-CD2 4.13Å; L68-F88 HydrophobicContact CD2-CG 4.43Å; L68-F88 HydrophobicContact CG-CB 4.37Å; L68-F88 HydrophobicContact CG-CD2 4.13Å; L68-F88 PolarHBondContact N-O 3.39Å; L68-F88 PolarHBondContact O-N 3.03Å; L70-F88 HydrophobicContact CB-CE2 4.18Å; L70-F88 HydrophobicContact CD2-CE2 4.35Å; M86-F88 HydrophobicContact CB-CE2 3.61Å; M86-F88 HydrophobicContact CB-CZ 3.95Å; M86-F88 HydrophobicContact SD-CZ 4.45Å; F88-W133 HydrophobicContact CB-CH2 4.15Å; F88-W133 HydrophobicContact CB-CZ2 3.75Å; F88-W133 AromaticContact CD1-CD1 3.74Å; F88-W133 AromaticContact CD1-CD2 3.97Å; F88-W133 HydrophobicContact CD1-CD2 3.97Å; F88-W133 AromaticContact CD1-CE2 3.79Å; F88-W133 AromaticContact CD1-CG 3.92Å; F88-W133 HydrophobicContact CD1-CG 3.92Å; F88-W133 HydrophobicContact CD1-CZ2 4.4Å; F88-W133 AromaticContact CD1-NE1 3.64Å; F88-W133 HydrophobicContact CE1-CB 4.49Å; F88-W133 HydrophobicContact CE1-CG 4.16Å; F88-W133 HydrophobicContact CG-CZ2 4.47Å; F88-L136 HydrophobicContact CZ-CB 4.4Å; F88-L136 HydrophobicContact CZ-CD2 3.87Å; F88-N139 HydrophobicContact CD1-CB 3.5Å; F88-N139 VanDerWaalsContact CD1-CB 3.5Å; F88-N139 HydrophobicContact CE1-CB 3.59Å; F88-N139 HydrophobicContact CG-CB 4.35Å; F88-N139 HydrophobicContact CZ-CB 4.5Å |
| 89 | D | 91.1 | Very high | 77.6 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.4 | 175.5 | -65 | -44.5 | 0 | 0 | 0 | 110.2 | R131 W133 | D89-R131 PolarHBondContact O-NH1 2.88Å; D89-W133 VanDerWaalsContact O-CZ2 3.24Å; D89-W133 WeakPolarHBondContact O-CZ2 3.46Å |
| 90 | L | 91.5 | Very high | 79.6 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 155.1 | -177.3 | -70.7 | 167.3 | 0 | 0 | 0 | 111.8 | V63 N66 L68 H97 I102 A122 R131 | V63-L90 HydrophobicContact CG1-CD1 3.73Å; V63-L90 HydrophobicContact CG2-CD1 4.39Å; N66-L90 WeakPolarHBondContact O-CB 3.4Å; N66-L90 PolarHBondContact O-N 3.16Å; L68-L90 HydrophobicContact CB-CD1 4.39Å; L68-L90 HydrophobicContact CB-CD2 3.97Å; L68-L90 HydrophobicContact CB-CG 4.05Å; L68-L90 HydrophobicContact CD2-CD2 4.47Å; L90-H97 HydrophobicContact CD1-CB 3.7Å; L90-I102 HydrophobicContact CD2-CD1 4.38Å; L90-A122 HydrophobicContact CD2-CB 3.53Å; L90-R131 PolarHBondContact O-NH1 3.24Å |
| 91 | P | 88.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 151.9 | 176.5 | 26.5 | -33.8 | 0 | 0 | 0 | 111.3 | S93 H97 N129 R131 | P91-S93 PolarHBondContact O-N 3.37Å; P91-H97 PolarHBondContact O-CE1 2.84Å; P91-H97 PolarHBondContact O-NE2 3.26Å; P91-N129 HydrophobicContact CB-CB 4.04Å; P91-R131 HydrophobicContact CB-CB 4.17Å; P91-R131 HydrophobicContact CG-CB 4.05Å |
| 92 | A | 84.3 | Confident | 84 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 135.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N129 | A92-N129 PolarHBondContact O-ND2 3.45Š|
| 93 | S | 85.2 | Confident | 86 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | trans | -149.8 | 139.8 | -177.7 | -178 | 0 | 0 | 0 | 0 | 109.8 | P91 L95 H97 | P91-S93 PolarHBondContact O-N 3.37Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 WeakPolarHBondContact CB-O 3.43Å; S93-L95 PolarHBondContact OG-N 2.78Å; S93-L95 PolarHBondContact OG-O 3.23Å; S93-H97 VanDerWaalsContact CB-CE1 3.48Å; S93-H97 WeakPolarHBondContact CB-CE1 3.45Å | ||
| 94 | D | 82 | Confident | 87.4 | Confident | 162 Ų | 162 | 39.5 Ų | 39.5 | 87% | 0.866 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -81.6 | -14.4 | 172.6 | -58.9 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 95 | L | 83.7 | Confident | 88.2 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -108.2 | 148.5 | 178.1 | -69.3 | 178 | 0 | 0 | 0 | 110.3 | S93 H97 Q158 | S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 WeakPolarHBondContact CB-O 3.43Å; S93-L95 PolarHBondContact OG-N 2.78Å; S93-L95 PolarHBondContact OG-O 3.23Å; L95-H97 PolarHBondContact O-N 3.32Å; L95-Q158 HydrophobicContact CD1-CG 4Å |
| 96 | P | 84.4 | Confident | 87.8 | Confident | 78 Ų | 78 | 36.8 Ų | 36.8 | 51% | 0.506 | 22% | 0.22 | S | C | . | . | trans | -59.9 | 138.8 | 178.8 | 25.7 | -34 | 0 | 0 | 0 | 110.9 | S125 | P96-S125 WeakPolarHBondContact O-CB 3.4Å; P96-S125 PolarHBondContact O-OG 2.93Å | ||
| 97 | H | 88.9 | Confident | 87 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | trans | -72.5 | 149.8 | 176.6 | -68.9 | -76.2 | 0 | 0 | 0 | 111.8 | V63 L90 P91 S93 L95 | V63-H97 HydrophobicContact CG1-CB 3.68Å; L90-H97 HydrophobicContact CD1-CB 3.7Å; P91-H97 PolarHBondContact O-CE1 2.84Å; P91-H97 PolarHBondContact O-NE2 3.26Å; S93-H97 VanDerWaalsContact CB-CE1 3.48Å; S93-H97 WeakPolarHBondContact CB-CE1 3.45Å; L95-H97 PolarHBondContact O-N 3.32Å | ||
| 98 | S | 90 | Very high | 85.8 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | trans | -127.6 | 142.1 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | S51 S100 L101 | S51-S98 WeakPolarHBondContact OG-CA 3.41Å; S98-S100 WeakPolarHBondContact CB-OG 3.05Å; S98-S100 PolarHBondContact O-N 3.39Å; S98-S100 PolarHBondContact OG-N 2.95Å; S98-S100 VanDerWaalsContact OG-N 3.16Å; S98-S100 PolarHBondContact OG-OG 3.42Å; S98-L101 PolarHBondContact O-N 3.44Å | ||
| 99 | A | 91.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -62.9 | -18.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S51 R53 V61 V63 L101 I102 | S51-A99 PolarHBondContact OG-N 3.12Å; R53-A99 HydrophobicContact CB-CB 3.89Å; V61-A99 HydrophobicContact CG1-CB 4.17Å; V63-A99 HydrophobicContact CG2-CB 4.02Å; A99-L101 PolarHBondContact O-N 3.45Å; A99-I102 PolarHBondContact O-N 2.78Å |
| 100 | S | 89.7 | Confident | 82 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65.7 | -19.4 | 171.5 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | R53 S98 I160 L162 | R53-S100 PolarHBondContact NH1-O 3.18Å; S98-S100 WeakPolarHBondContact CB-OG 3.05Å; S98-S100 PolarHBondContact O-N 3.39Å; S98-S100 PolarHBondContact OG-N 2.95Å; S98-S100 VanDerWaalsContact OG-N 3.16Å; S98-S100 PolarHBondContact OG-OG 3.42Å; S100-I160 WeakPolarHBondContact CB-O 3.21Å; S100-I160 PolarHBondContact OG-O 2.94Å; S100-L162 WeakPolarHBondContact O-CB 3.43Å; S100-L162 PolarHBondContact O-N 2.81Å |
| 101 | L | 92.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -101.1 | 19.7 | -179.5 | -62.2 | 179.4 | 0 | 0 | 0 | 113.3 | S98 A99 L123 S125 A159 L162 | S98-L101 PolarHBondContact O-N 3.44Å; A99-L101 PolarHBondContact O-N 3.45Å; L101-L123 HydrophobicContact CB-CB 4.4Å; L101-L123 PolarHBondContact O-N 3.25Å; L101-S125 WeakPolarHBondContact CD1-OG 3.43Å; L101-A159 HydrophobicContact CD1-CB 4.07Å; L101-A159 HydrophobicContact CD2-CB 3.7Å; L101-L162 HydrophobicContact CD2-CB 4.46Å |
| 102 | I | 92.5 | Very high | 77.6 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.3 | 179.2 | -59.4 | -174.3 | 0 | 0 | 0 | 108.9 | F55 V61 V63 L68 L90 A99 L121 A122 | F55-I102 VanDerWaalsContact CZ-O 3.31Å; F55-I102 WeakPolarHBondContact CZ-O 3.18Å; V61-I102 HydrophobicContact CG1-CB 4.34Å; V61-I102 HydrophobicContact CG1-CD1 3.75Å; V61-I102 HydrophobicContact CG1-CG2 4.17Å; V61-I102 HydrophobicContact CG2-CG2 4.37Å; V63-I102 HydrophobicContact CG2-CD1 3.21Å; V63-I102 HydrophobicContact CG2-CG1 4.38Å; L68-I102 HydrophobicContact CD1-CD1 3.41Å; L68-I102 VanDerWaalsContact CD1-CD1 3.41Å; L68-I102 HydrophobicContact CD1-CG2 4.49Å; L68-I102 HydrophobicContact CD2-CD1 4.04Å; L68-I102 HydrophobicContact CD2-CG2 4.35Å; L68-I102 HydrophobicContact CG-CD1 4.17Å; L90-I102 HydrophobicContact CD2-CD1 4.38Å; A99-I102 PolarHBondContact O-N 2.78Å; I102-L121 CarbonylContact C-O 3.59Å; I102-L121 VanDerWaalsContact CA-O 3.32Å; I102-L121 WeakPolarHBondContact CA-O 3.3Å; I102-A122 HydrophobicContact CG1-CB 4.4Å |
| 103 | G | 89.7 | Confident | 75.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C120 L121 | G103-C120 CarbonylContact O-C 3.6Å; G103-C120 WeakPolarHBondContact O-CA 3.34Å; G103-L121 PolarHBondContact N-O 2.97Å; G103-L121 PolarHBondContact O-N 3.33Å |
| 104 | L | 88.4 | Confident | 74.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.6 | 170.5 | -61.8 | -176.2 | 0 | 0 | 0 | 109.2 | F55 W59 V61 L70 F106 P117 C120 | F55-L104 HydrophobicContact CB-CD1 3.73Å; F55-L104 HydrophobicContact CD1-CB 4.34Å; F55-L104 HydrophobicContact CD1-CD1 3.99Å; F55-L104 HydrophobicContact CD1-CG 4Å; F55-L104 HydrophobicContact CD2-CD1 3.81Å; F55-L104 HydrophobicContact CD2-CG 4.21Å; F55-L104 HydrophobicContact CE1-CG 4.17Å; F55-L104 HydrophobicContact CE2-CD1 4.44Å; F55-L104 HydrophobicContact CE2-CG 4.38Å; F55-L104 HydrophobicContact CG-CD1 3.56Å; F55-L104 HydrophobicContact CG-CG 4.02Å; F55-L104 HydrophobicContact CZ-CG 4.36Å; W59-L104 HydrophobicContact CB-CD1 4.04Å; V61-L104 HydrophobicContact CG2-CD2 4.39Å; L70-L104 HydrophobicContact CD1-CD1 4.07Å; L70-L104 HydrophobicContact CD1-CD2 4.07Å; L70-L104 HydrophobicContact CD2-CD2 4.11Å; L104-F106 HydrophobicContact CB-CD2 4.48Å; L104-F106 HydrophobicContact CB-CE2 3.78Å; L104-F106 HydrophobicContact CB-CZ 4.14Å; L104-F106 HydrophobicContact CD1-CZ 4.31Å; L104-P117 HydrophobicContact CB-CB 4.25Å; L104-P117 HydrophobicContact CD1-CG 4.45Å; L104-C120 HydrophobicContact CD2-CB 3.75Å |
| 105 | L | 84.8 | Confident | 73.2 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.3 | 177.2 | -62.5 | 153.4 | 0 | 0 | 0 | 107.5 | P117 T118 G119 L132 F171 T185 | L105-P117 CarbonylContact O-C 3.46Å; L105-P117 WeakPolarHBondContact O-CA 3.39Å; L105-P117 WeakPolarHBondContact O-CB 3.48Å; L105-T118 PolarHBondContact O-N 3.01Å; L105-T118 PolarHBondContact O-OG1 3.24Å; L105-G119 PolarHBondContact N-O 2.98Å; L105-L132 HydrophobicContact CD1-CD1 3.39Å; L105-F171 HydrophobicContact CD2-CE2 3.72Å; L105-F171 HydrophobicContact CD2-CZ 3.8Å; L105-F171 HydrophobicContact CG-CZ 4.34Å; L105-T185 WeakPolarHBondContact CD2-OG1 3.38Å |
| 106 | F | 77.6 | Confident | 72.8 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 18% | 0.18 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 152.3 | 173.3 | -67.2 | -83.1 | 0 | 0 | 0 | 109.6 | L104 P117 S168 | L104-F106 HydrophobicContact CB-CD2 4.48Å; L104-F106 HydrophobicContact CB-CE2 3.78Å; L104-F106 HydrophobicContact CB-CZ 4.14Å; L104-F106 HydrophobicContact CD1-CZ 4.31Å; F106-P117 HydrophobicContact CD1-CB 4.31Å; F106-P117 HydrophobicContact CE1-CB 4.07Å; F106-P117 HydrophobicContact CE1-CG 4.4Å; F106-P117 HydrophobicContact CZ-CB 4.43Å; F106-S168 PolarHBondContact O-OG 2.9Å; F106-S168 VanDerWaalsContact O-OG 3.06Å |
| 107 | P | 69.9 | Low | 72.7 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -64 | 150.9 | 171 | 27.7 | -30.8 | 0 | 0 | 0 | 110.2 | S114 T118 | P107-S114 WeakPolarHBondContact CG-O 3.39Å; P107-T118 HydrophobicContact CB-CG2 4.16Å; P107-T118 HydrophobicContact CG-CG2 4.4Å |
| 108 | P | 63.9 | Low | 72.4 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -60 | 148.7 | 175.1 | 24.2 | -32.1 | 0 | 0 | 0 | 111.5 | D110 A111 | P108-D110 PolarHBondContact O-N 3.47Å; P108-A111 PolarHBondContact O-N 3.42Å |
| 109 | N | 56.5 | Low | 72.2 | Confident | 135 Ų | 135 | 52.8 Ų | 52.8 | 72% | 0.722 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -18.7 | -166.1 | -74.3 | -15.5 | 0 | 0 | 0 | 116.2 | A111 | N109-A111 PolarHBondContact O-N 3.3Š|
| 110 | D | 47.5 | Very low | 72.1 | Confident | 167 Ų | 167 | 52.8 Ų | 52.8 | 89% | 0.893 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16 | -178.7 | -68.2 | -25.8 | 0 | 0 | 0 | 114.2 | P108 A112 | P108-D110 PolarHBondContact O-N 3.47Å; D110-A112 PolarHBondContact O-N 3.18Å |
| 111 | A | 42.6 | Very low | 72.1 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | trans | -93.8 | 71.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P108 N109 T113 S114 | P108-A111 PolarHBondContact O-N 3.42Å; N109-A111 PolarHBondContact O-N 3.3Å; A111-T113 PolarHBondContact O-N 2.96Å; A111-S114 PolarHBondContact O-N 2.92Å | ||
| 112 | A | 44.9 | Very low | 72.1 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 79% | 0.793 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -1.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D110 | D110-A112 PolarHBondContact O-N 3.18Š|
| 113 | T | 48.3 | Very low | 72 | Confident | 137 Ų | 137 | 51.1 Ų | 51.1 | 84% | 0.84 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -13.9 | -173.5 | 50.2 | 0 | 0 | 0 | 0 | 116 | A111 | A111-T113 PolarHBondContact O-N 2.96Š|
| 114 | S | 49.4 | Very low | 71.9 | Confident | 51 Ų | 51 | 51 Ų | 51 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | trans | -124.9 | 93.5 | -179.5 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | P107 A111 S116 | P107-S114 WeakPolarHBondContact CG-O 3.39Å; A111-S114 PolarHBondContact O-N 2.92Å; S114-S116 PolarHBondContact O-N 3.06Å | ||
| 115 | L | 61.4 | Low | 71.7 | Confident | 121 Ų | 121 | 51 Ų | 51 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | trans | -75.2 | 6 | 176.5 | -71.1 | 137.4 | 0 | 0 | 0 | 114.1 | N57 | N57-L115 PolarHBondContact ND2-O 3.32Š| ||
| 116 | S | 74.8 | Confident | 71.4 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 42% | 0.42 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -89.2 | 138.2 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | S114 T118 | S114-S116 PolarHBondContact O-N 3.06Å; S116-T118 PolarHBondContact O-N 3.49Å |
| 117 | P | 82.3 | Confident | 71 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | trans | -59.6 | 136.1 | 172.6 | 22.9 | -29.6 | 0 | 0 | 0 | 110.6 | W59 L104 L105 F106 L136 | W59-P117 HydrophobicContact CD2-CG 3.99Å; W59-P117 HydrophobicContact CE3-CG 4.46Å; W59-P117 HydrophobicContact CG-CG 4.36Å; W59-P117 HydrophobicContact CZ2-CG 4.08Å; L104-P117 HydrophobicContact CB-CB 4.25Å; L104-P117 HydrophobicContact CD1-CG 4.45Å; L105-P117 CarbonylContact O-C 3.46Å; L105-P117 WeakPolarHBondContact O-CA 3.39Å; L105-P117 WeakPolarHBondContact O-CB 3.48Å; F106-P117 HydrophobicContact CD1-CB 4.31Å; F106-P117 HydrophobicContact CE1-CB 4.07Å; F106-P117 HydrophobicContact CE1-CG 4.4Å; F106-P117 HydrophobicContact CZ-CB 4.43Å; P117-L136 HydrophobicContact CB-CD1 3.88Å; P117-L136 HydrophobicContact CG-CD1 3.6Å; P117-L136 WeakPolarHBondContact O-CD1 3.31Å | ||
| 118 | T | 81.7 | Confident | 71.2 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -79.6 | -32.7 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | L105 P107 S116 R135 L136 | L105-T118 PolarHBondContact O-N 3.01Å; L105-T118 PolarHBondContact O-OG1 3.24Å; P107-T118 HydrophobicContact CB-CG2 4.16Å; P107-T118 HydrophobicContact CG-CG2 4.4Å; S116-T118 PolarHBondContact O-N 3.49Å; T118-R135 WeakPolarHBondContact O-CA 3.34Å; T118-L136 PolarHBondContact O-N 3.25Å |
| 119 | G | 86 | Confident | 72.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L105 W133 | L105-G119 PolarHBondContact N-O 2.98Å; G119-W133 CarbonylContact C-O 3.59Å; G119-W133 WeakPolarHBondContact CA-O 3.21Å |
| 120 | C | 89.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 157.3 | 175.3 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | G103 L104 W133 L136 | G103-C120 CarbonylContact O-C 3.6Å; G103-C120 WeakPolarHBondContact O-CA 3.34Å; L104-C120 HydrophobicContact CD2-CB 3.75Å; C120-W133 PolarHBondContact N-O 3.39Å; C120-W133 PolarHBondContact O-N 2.85Å; C120-L136 HydrophobicContact CB-CD2 3.81Å |
| 121 | L | 90.5 | Very high | 75.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.6 | -176.8 | 178.7 | 69.8 | 0 | 0 | 0 | 108.3 | I102 G103 L130 R131 L132 L162 F171 T185 | I102-L121 CarbonylContact C-O 3.59Å; I102-L121 VanDerWaalsContact CA-O 3.32Å; I102-L121 WeakPolarHBondContact CA-O 3.3Å; G103-L121 PolarHBondContact N-O 2.97Å; G103-L121 PolarHBondContact O-N 3.33Å; L121-L130 HydrophobicContact CD1-CD1 3.89Å; L121-L130 HydrophobicContact CD1-CD2 3.37Å; L121-L130 HydrophobicContact CD1-CG 3.51Å; L121-L130 HydrophobicContact CD2-CD1 4.46Å; L121-L130 HydrophobicContact CG-CG 4.46Å; L121-R131 CarbonylContact C-O 3.37Å; L121-R131 WeakPolarHBondContact CA-O 3.4Å; L121-L132 HydrophobicContact CB-CD1 4.47Å; L121-L132 HydrophobicContact CD1-CB 4.18Å; L121-L132 HydrophobicContact CD1-CD1 4.15Å; L121-L162 HydrophobicContact CD2-CD2 4.05Å; L121-L162 HydrophobicContact CG-CD2 4.47Å; L121-F171 HydrophobicContact CD2-CD1 4.49Å; L121-F171 HydrophobicContact CD2-CD2 3.61Å; L121-F171 HydrophobicContact CD2-CE2 3.72Å; L121-F171 HydrophobicContact CD2-CG 4.04Å; L121-F171 HydrophobicContact CD2-CZ 4.21Å; L121-T185 HydrophobicContact CD1-CG2 4.37Å; L121-T185 HydrophobicContact CD2-CG2 4.22Å |
| 122 | A | 91.7 | Very high | 77.8 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L90 I102 R131 W133 | L90-A122 HydrophobicContact CD2-CB 3.53Å; I102-A122 HydrophobicContact CG1-CB 4.4Å; A122-R131 PolarHBondContact N-O 3.31Å; A122-R131 PolarHBondContact O-N 3.3Å; A122-W133 HydrophobicContact CB-CH2 4.23Å; A122-W133 HydrophobicContact CB-CZ3 3.74Å |
| 123 | L | 89.3 | Confident | 79.9 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.7 | 174 | -177.6 | 64.7 | 0 | 0 | 0 | 109.9 | L101 L130 L147 A159 V173 | L101-L123 HydrophobicContact CB-CB 4.4Å; L101-L123 PolarHBondContact O-N 3.25Å; L123-L130 HydrophobicContact CD1-CB 4.03Å; L123-L147 HydrophobicContact CD1-CD1 3.6Å; L123-A159 HydrophobicContact CD2-CB 3.83Å; L123-V173 HydrophobicContact CD2-CB 4.34Å; L123-V173 HydrophobicContact CD2-CG1 3.79Å; L123-V173 HydrophobicContact CD2-CG2 3.55Å |
| 124 | S | 88.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -66.8 | 145.6 | 171.2 | 70.2 | 0 | 0 | 0 | 0 | 110.7 | C126 G127 G128 N129 | S124-C126 PolarHBondContact O-N 2.89Å; S124-C126 PolarHBondContact OG-SG 3.13Å; S124-G127 VanDerWaalsContact O-CA 3.3Å; S124-G127 WeakPolarHBondContact O-CA 3.33Å; S124-G127 PolarHBondContact O-N 3.37Å; S124-G128 PolarHBondContact OG-N 3.01Å; S124-N129 PolarHBondContact N-O 2.96Å; S124-N129 PolarHBondContact OG-N 3.35Å; S124-N129 VanDerWaalsContact OG-N 3.09Å; S124-N129 PolarHBondContact OG-O 3.39Å | ||
| 125 | S | 83.9 | Confident | 83 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.7 | -178.2 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | P96 L101 G127 Q158 A159 | P96-S125 WeakPolarHBondContact O-CB 3.4Å; P96-S125 PolarHBondContact O-OG 2.93Å; L101-S125 WeakPolarHBondContact CD1-OG 3.43Å; S125-G127 PolarHBondContact O-N 3.45Å; S125-Q158 WeakPolarHBondContact O-CG 3.43Å; S125-A159 PolarHBondContact O-N 2.94Å |
| 126 | C | 79.1 | Confident | 84 | Confident | 36 Ų | 36 | 24.7 Ų | 24.7 | 24% | 0.243 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -4.3 | 169.1 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | S124 G128 | S124-C126 PolarHBondContact O-N 2.89Å; S124-C126 PolarHBondContact OG-SG 3.13Å; C126-G128 PolarHBondContact O-N 3.49Å; C126-G128 VanDerWaalsContact O-N 3.16Å |
| 127 | G | 69.5 | Low | 84 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 67.7 | 7.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S124 S125 L147 | S124-G127 VanDerWaalsContact O-CA 3.3Å; S124-G127 WeakPolarHBondContact O-CA 3.33Å; S124-G127 PolarHBondContact O-N 3.37Å; S125-G127 PolarHBondContact O-N 3.45Å; G127-L147 WeakPolarHBondContact O-CD1 3.5Å |
| 128 | G | 73 | Confident | 83.9 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -81.5 | -39.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | S124 C126 V146 L147 | S124-G128 PolarHBondContact OG-N 3.01Å; C126-G128 PolarHBondContact O-N 3.49Å; C126-G128 VanDerWaalsContact O-N 3.16Å; G128-V146 WeakPolarHBondContact O-CA 3.45Å; G128-L147 PolarHBondContact O-N 2.94Å |
| 129 | N | 83.6 | Confident | 83.6 | Confident | 61 Ų | 61 | 35.7 Ų | 35.7 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.4 | -168.3 | -66.7 | -21.4 | 0 | 0 | 0 | 110.6 | P91 A92 S124 | P91-N129 HydrophobicContact CB-CB 4.04Å; A92-N129 PolarHBondContact O-ND2 3.45Å; S124-N129 PolarHBondContact N-O 2.96Å; S124-N129 PolarHBondContact OG-N 3.35Å; S124-N129 VanDerWaalsContact OG-N 3.09Å; S124-N129 PolarHBondContact OG-O 3.39Å |
| 130 | L | 86.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124 | 174.7 | 176.9 | 153.3 | 0 | 0 | 0 | 108.8 | L121 L123 L132 D144 S145 I183 V192 | L121-L130 HydrophobicContact CD1-CD1 3.89Å; L121-L130 HydrophobicContact CD1-CD2 3.37Å; L121-L130 HydrophobicContact CD1-CG 3.51Å; L121-L130 HydrophobicContact CD2-CD1 4.46Å; L121-L130 HydrophobicContact CG-CG 4.46Å; L123-L130 HydrophobicContact CD1-CB 4.03Å; L130-L132 HydrophobicContact CD2-CB 4.49Å; L130-D144 CarbonylContact O-C 3.53Å; L130-D144 WeakPolarHBondContact O-CA 3.36Å; L130-S145 PolarHBondContact N-O 2.97Å; L130-S145 PolarHBondContact O-N 3.3Å; L130-I183 HydrophobicContact CD1-CD1 3.84Å; L130-I183 HydrophobicContact CD1-CG2 3.93Å; L130-V192 HydrophobicContact CD1-CG1 4.12Å; L130-V192 HydrophobicContact CD2-CB 4.39Å; L130-V192 HydrophobicContact CD2-CG1 4.37Å; L130-V192 HydrophobicContact CD2-CG2 3.81Å |
| 131 | R | 90.3 | Very high | 83 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.6 | 178.1 | -177.5 | 166.5 | -70.4 | 171.4 | -5.6 | 110.5 | D89 L90 P91 L121 A122 W133 H142 D144 | D89-R131 PolarHBondContact O-NH1 2.88Å; L90-R131 PolarHBondContact O-NH1 3.24Å; P91-R131 HydrophobicContact CB-CB 4.17Å; P91-R131 HydrophobicContact CG-CB 4.05Å; L121-R131 CarbonylContact C-O 3.37Å; L121-R131 WeakPolarHBondContact CA-O 3.4Å; A122-R131 PolarHBondContact N-O 3.31Å; A122-R131 PolarHBondContact O-N 3.3Å; R131-W133 HydrophobicContact CB-CH2 4.17Å; R131-W133 HydrophobicContact CB-CZ3 4.25Å; R131-W133 VanDerWaalsContact CD-CH2 3.41Å; R131-W133 HydrophobicContact CG-CD2 4.26Å; R131-W133 HydrophobicContact CG-CE3 4.18Å; R131-W133 HydrophobicContact CG-CH2 3.63Å; R131-W133 HydrophobicContact CG-CZ2 3.67Å; R131-W133 HydrophobicContact CG-CZ3 3.89Å; R131-H142 HydrophobicContact CG-CB 3.86Å; R131-H142 PolarHBondContact NE-CD2 3.44Å; R131-H142 VanDerWaalsContact NE-CD2 3.28Å; R131-D144 WeakPolarHBondContact CB-OD1 3.34Å; R131-D144 WeakPolarHBondContact CG-OD1 3.16Å; R131-D144 IonicContact CZ-OD1 3.6Å; R131-D144 IonicContact CZ-OD2 3.54Å; R131-D144 IonicContact NE-OD1 2.73Å; R131-D144 PolarHBondContact NE-OD1 2.82Å; R131-D144 IonicContact NE-OD2 3.42Å; R131-D144 PolarHBondContact NE-OD2 3.27Å; R131-D144 IonicContact NH2-OD1 3.59Å; R131-D144 IonicContact NH2-OD2 2.78Å; R131-D144 PolarHBondContact NH2-OD2 3.22Å |
| 132 | L | 88.5 | Confident | 82.7 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.7 | 179.9 | 175.8 | 67.9 | 0 | 0 | 0 | 110.2 | L105 L121 L130 P134 H142 V143 P188 | L105-L132 HydrophobicContact CD1-CD1 3.39Å; L121-L132 HydrophobicContact CB-CD1 4.47Å; L121-L132 HydrophobicContact CD1-CB 4.18Å; L121-L132 HydrophobicContact CD1-CD1 4.15Å; L130-L132 HydrophobicContact CD2-CB 4.49Å; L132-P134 VanDerWaalsContact O-CD 3.27Å; L132-P134 WeakPolarHBondContact O-CD 3.43Å; L132-H142 CarbonylContact O-C 3.59Å; L132-H142 VanDerWaalsContact O-CA 3.24Å; L132-H142 WeakPolarHBondContact O-CA 3.32Å; L132-V143 HydrophobicContact CB-CB 4.43Å; L132-V143 PolarHBondContact N-O 3.17Å; L132-V143 PolarHBondContact O-N 3.23Å; L132-P188 HydrophobicContact CD2-CB 3.86Å |
| 133 | W | 90.2 | Very high | 82.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 98.3 | 167.5 | -66.3 | -89.4 | 0 | 0 | 0 | 109.3 | L68 F88 D89 G119 C120 A122 R131 R135 N139 H142 | L68-W133 HydrophobicContact CD2-CZ3 4.42Å; F88-W133 HydrophobicContact CB-CH2 4.15Å; F88-W133 HydrophobicContact CB-CZ2 3.75Å; F88-W133 AromaticContact CD1-CD1 3.74Å; F88-W133 AromaticContact CD1-CD2 3.97Å; F88-W133 HydrophobicContact CD1-CD2 3.97Å; F88-W133 AromaticContact CD1-CE2 3.79Å; F88-W133 AromaticContact CD1-CG 3.92Å; F88-W133 HydrophobicContact CD1-CG 3.92Å; F88-W133 HydrophobicContact CD1-CZ2 4.4Å; F88-W133 AromaticContact CD1-NE1 3.64Å; F88-W133 HydrophobicContact CE1-CB 4.49Å; F88-W133 HydrophobicContact CE1-CG 4.16Å; F88-W133 HydrophobicContact CG-CZ2 4.47Å; D89-W133 VanDerWaalsContact O-CZ2 3.24Å; D89-W133 WeakPolarHBondContact O-CZ2 3.46Å; G119-W133 CarbonylContact C-O 3.59Å; G119-W133 WeakPolarHBondContact CA-O 3.21Å; C120-W133 PolarHBondContact N-O 3.39Å; C120-W133 PolarHBondContact O-N 2.85Å; A122-W133 HydrophobicContact CB-CH2 4.23Å; A122-W133 HydrophobicContact CB-CZ3 3.74Å; R131-W133 HydrophobicContact CB-CH2 4.17Å; R131-W133 HydrophobicContact CB-CZ3 4.25Å; R131-W133 VanDerWaalsContact CD-CH2 3.41Å; R131-W133 HydrophobicContact CG-CD2 4.26Å; R131-W133 HydrophobicContact CG-CE3 4.18Å; R131-W133 HydrophobicContact CG-CH2 3.63Å; R131-W133 HydrophobicContact CG-CZ2 3.67Å; R131-W133 HydrophobicContact CG-CZ3 3.89Å; W133-R135 PolarHBondContact O-N 2.82Å; W133-R135 VanDerWaalsContact O-N 3.17Å; W133-N139 PolarHBondContact NE1-O 3.36Å; W133-H142 HydrophobicContact CD2-CB 4.46Å; W133-H142 HydrophobicContact CG-CB 4.25Å |
| 134 | P | 81.8 | Confident | 82.2 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -67.8 | -15.9 | -178.2 | 27 | -34.8 | 0 | 0 | 0 | 113.2 | L132 | L132-P134 VanDerWaalsContact O-CD 3.27Å; L132-P134 WeakPolarHBondContact O-CD 3.43Å |
| 135 | R | 80.3 | Confident | 81.8 | Confident | 161 Ų | 161 | 56 Ų | 56 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | trans | -139.9 | 115.2 | 177.9 | -65.2 | -174.7 | -179.7 | 176.1 | 0.7 | 110.9 | T118 W133 M137 R138 | T118-R135 WeakPolarHBondContact O-CA 3.34Å; W133-R135 PolarHBondContact O-N 2.82Å; W133-R135 VanDerWaalsContact O-N 3.17Å; R135-M137 VanDerWaalsContact C-N 3.33Å; R135-M137 PolarHBondContact O-N 3.48Å; R135-R138 PolarHBondContact O-N 3.16Å | ||
| 136 | L | 82.1 | Confident | 81.4 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -35.7 | -177.5 | -65.5 | -178.8 | 0 | 0 | 0 | 114.6 | L70 M86 F88 P117 T118 C120 R138 | L70-L136 HydrophobicContact CD2-CD1 3.83Å; L70-L136 HydrophobicContact CD2-CD2 3.82Å; L70-L136 HydrophobicContact CD2-CG 4.47Å; M86-L136 HydrophobicContact SD-CB 3.77Å; M86-L136 HydrophobicContact SD-CD1 4.48Å; F88-L136 HydrophobicContact CZ-CB 4.4Å; F88-L136 HydrophobicContact CZ-CD2 3.87Å; P117-L136 HydrophobicContact CB-CD1 3.88Å; P117-L136 HydrophobicContact CG-CD1 3.6Å; P117-L136 WeakPolarHBondContact O-CD1 3.31Å; T118-L136 PolarHBondContact O-N 3.25Å; C120-L136 HydrophobicContact CB-CD2 3.81Å; L136-R138 PolarHBondContact O-N 3.27Å; L136-R138 VanDerWaalsContact O-N 3.14Å |
| 137 | M | 76.4 | Confident | 81 | Confident | 175 Ų | 175 | 59.5 Ų | 59.5 | 86% | 0.862 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.7 | -179.6 | -72.3 | -89.8 | -66.6 | 0 | 0 | 114 | R135 | R135-M137 VanDerWaalsContact C-N 3.33Å; R135-M137 PolarHBondContact O-N 3.48Å |
| 138 | R | 78.5 | Confident | 80.5 | Confident | 121 Ų | 121 | 62.7 Ų | 62.7 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | trans | -122.8 | 74.5 | -179.1 | -66.2 | -173 | -179.5 | -173.2 | -1.8 | 110 | R135 L136 Y140 V141 | R135-R138 PolarHBondContact O-N 3.16Å; L136-R138 PolarHBondContact O-N 3.27Å; L136-R138 VanDerWaalsContact O-N 3.14Å; R138-Y140 HydrophobicContact CB-CE1 4.05Å; R138-Y140 HydrophobicContact CG-CE1 4.24Å; R138-Y140 PolarHBondContact O-N 3.35Å; R138-Y140 VanDerWaalsContact O-N 3.07Å; R138-V141 HydrophobicContact CB-CB 4.13Å; R138-V141 HydrophobicContact CB-CG2 3.88Å; R138-V141 PolarHBondContact O-N 3.19Å | ||
| 139 | N | 75.9 | Confident | 79.4 | Confident | 73 Ų | 73 | 66 Ų | 66 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.8 | -178.4 | 62.7 | -10 | 0 | 0 | 0 | 115.3 | S87 F88 W133 | S87-N139 WeakPolarHBondContact O-CB 3.49Å; S87-N139 PolarHBondContact O-ND2 2.91Å; F88-N139 HydrophobicContact CD1-CB 3.5Å; F88-N139 VanDerWaalsContact CD1-CB 3.5Å; F88-N139 HydrophobicContact CE1-CB 3.59Å; F88-N139 HydrophobicContact CG-CB 4.35Å; F88-N139 HydrophobicContact CZ-CB 4.5Å; W133-N139 PolarHBondContact NE1-O 3.36Å |
| 140 | Y | 80.8 | Confident | 77.9 | Confident | 155 Ų | 155 | 67.5 Ų | 67.5 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20 | 174.4 | 59.7 | -87.7 | 0 | 0 | 0 | 113.7 | R138 H142 | R138-Y140 HydrophobicContact CB-CE1 4.05Å; R138-Y140 HydrophobicContact CG-CE1 4.24Å; R138-Y140 PolarHBondContact O-N 3.35Å; R138-Y140 VanDerWaalsContact O-N 3.07Å; Y140-H142 PolarHBondContact O-N 3.37Å; Y140-H142 PolarHBondContact O-ND1 2.98Å |
| 141 | V | 82.1 | Confident | 76.2 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | trans | -91.4 | 105.4 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | R138 | R138-V141 HydrophobicContact CB-CB 4.13Å; R138-V141 HydrophobicContact CB-CG2 3.88Å; R138-V141 PolarHBondContact O-N 3.19Å | ||
| 142 | H | 85.6 | Confident | 73.9 | Confident | 77 Ų | 77 | 68 Ų | 68 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | trans | -137.3 | 157.8 | 177.4 | 60 | -80.5 | 0 | 0 | 0 | 111.6 | R131 L132 W133 Y140 D144 | R131-H142 HydrophobicContact CG-CB 3.86Å; R131-H142 PolarHBondContact NE-CD2 3.44Å; R131-H142 VanDerWaalsContact NE-CD2 3.28Å; L132-H142 CarbonylContact O-C 3.59Å; L132-H142 VanDerWaalsContact O-CA 3.24Å; L132-H142 WeakPolarHBondContact O-CA 3.32Å; W133-H142 HydrophobicContact CD2-CB 4.46Å; W133-H142 HydrophobicContact CG-CB 4.25Å; Y140-H142 PolarHBondContact O-N 3.37Å; Y140-H142 PolarHBondContact O-ND1 2.98Å; H142-D144 IonicContact CD2-OD1 3.21Å; H142-D144 PolarHBondContact CD2-OD1 3.3Å; H142-D144 IonicContact CD2-OD2 3.46Å; H142-D144 IonicContact NE2-OD2 3.95Å | ||
| 143 | V | 84.6 | Confident | 72.2 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.7 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 107 | L132 | L132-V143 HydrophobicContact CB-CB 4.43Å; L132-V143 PolarHBondContact N-O 3.17Å; L132-V143 PolarHBondContact O-N 3.23Å |
| 144 | D | 85.1 | Confident | 70.5 | Confident | 81 Ų | 81 | 70 Ų | 70 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.4 | 172.1 | -77.8 | -17.3 | 0 | 0 | 0 | 109.1 | L130 R131 H142 | L130-D144 CarbonylContact O-C 3.53Å; L130-D144 WeakPolarHBondContact O-CA 3.36Å; R131-D144 WeakPolarHBondContact CB-OD1 3.34Å; R131-D144 WeakPolarHBondContact CG-OD1 3.16Å; R131-D144 IonicContact CZ-OD1 3.6Å; R131-D144 IonicContact CZ-OD2 3.54Å; R131-D144 IonicContact NE-OD1 2.73Å; R131-D144 PolarHBondContact NE-OD1 2.82Å; R131-D144 IonicContact NE-OD2 3.42Å; R131-D144 PolarHBondContact NE-OD2 3.27Å; R131-D144 IonicContact NH2-OD1 3.59Å; R131-D144 IonicContact NH2-OD2 2.78Å; R131-D144 PolarHBondContact NH2-OD2 3.22Å; H142-D144 IonicContact CD2-OD1 3.21Å; H142-D144 PolarHBondContact CD2-OD1 3.3Å; H142-D144 IonicContact CD2-OD2 3.46Å; H142-D144 IonicContact NE2-OD2 3.95Å |
| 145 | S | 80.7 | Confident | 69.3 | Low | 12 Ų | 12 | 75.3 Ų | 75.3 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.2 | 174.5 | -171 | 0 | 0 | 0 | 0 | 108.7 | L130 | L130-S145 PolarHBondContact N-O 2.97Å; L130-S145 PolarHBondContact O-N 3.3Å |
| 146 | V | 76 | Confident | 68.4 | Low | 103 Ų | 103 | 70.9 Ų | 70.9 | 62% | 0.624 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.9 | 168.4 | -177.2 | 0 | 0 | 0 | 0 | 107.2 | G128 | G128-V146 WeakPolarHBondContact O-CA 3.45Å |
| 147 | L | 70.5 | Confident | 67.9 | Low | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 135.3 | -179.6 | -74 | 159.4 | 0 | 0 | 0 | 109.8 | L123 G127 G128 I151 G152 T194 | L123-L147 HydrophobicContact CD1-CD1 3.6Å; G127-L147 WeakPolarHBondContact O-CD1 3.5Å; G128-L147 PolarHBondContact O-N 2.94Å; L147-I151 HydrophobicContact CB-CG2 4.3Å; L147-G152 WeakPolarHBondContact O-CA 3.45Å; L147-T194 HydrophobicContact CD2-CG2 3.08Å |
| 148 | P | 58.5 | Low | 68.1 | Low | 68 Ų | 68 | 65.6 Ų | 65.6 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 154.3 | -173 | 23.6 | -31.5 | 0 | 0 | 0 | 114.2 | P150 I151 G152 | P148-P150 WeakPolarHBondContact O-CD 3.44Å; P148-P150 VanDerWaalsContact O-N 3.15Å; P148-I151 CarbonylContact O-C 3.51Å; P148-I151 WeakPolarHBondContact O-CA 3.3Å; P148-I151 WeakPolarHBondContact O-CB 3.46Å; P148-I151 PolarHBondContact O-N 3.45Å; P148-G152 PolarHBondContact O-N 3.18Å |
| 149 | A | 50.3 | Low | 68.3 | Low | 80 Ų | 80 | 60 Ų | 60 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 10.2 | -156.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||
| 150 | P | 51.2 | Low | 68.8 | Low | 93 Ų | 93 | 59.3 Ų | 59.3 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -20 | 148.8 | -10.1 | 27.1 | 0 | 0 | 0 | 111.1 | P148 | P148-P150 WeakPolarHBondContact O-CD 3.44Å; P148-P150 VanDerWaalsContact O-N 3.15Å |
| 151 | I | 50.7 | Low | 69.2 | Low | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -15.5 | -170 | -59 | 156.7 | 0 | 0 | 0 | 111.1 | L147 P148 G153 I181 L196 | L147-I151 HydrophobicContact CB-CG2 4.3Å; P148-I151 CarbonylContact O-C 3.51Å; P148-I151 WeakPolarHBondContact O-CA 3.3Å; P148-I151 WeakPolarHBondContact O-CB 3.46Å; P148-I151 PolarHBondContact O-N 3.45Å; I151-G153 CarbonylContact O-C 3.37Å; I151-G153 PolarHBondContact O-N 3.45Å; I151-G153 VanDerWaalsContact O-N 3.13Å; I151-I181 HydrophobicContact CD1-CG2 4.41Å; I151-I181 HydrophobicContact CG2-CD1 3.73Å; I151-I181 HydrophobicContact CG2-CG2 4.37Å; I151-L196 HydrophobicContact CD1-CB 4.49Å |
| 152 | G | 43.3 | Very low | 69.6 | Low | 28 Ų | 28 | 50.3 Ų | 50.3 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -73.2 | 100.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | L147 P148 | L147-G152 WeakPolarHBondContact O-CA 3.45Å; P148-G152 PolarHBondContact O-N 3.18Å |
| 153 | G | 51.6 | Low | 69.7 | Low | 29 Ų | 29 | 47.8 Ų | 47.8 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 72.6 | 116 | -156.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | I151 F155 | I151-G153 CarbonylContact O-C 3.37Å; I151-G153 PolarHBondContact O-N 3.45Å; I151-G153 VanDerWaalsContact O-N 3.13Å; G153-F155 PolarHBondContact O-N 2.94Å |
| 154 | L | 54.5 | Low | 69.7 | Low | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | trans | -59.5 | 21.2 | 179.9 | -78.6 | 172.5 | 0 | 0 | 0 | 113.9 | G156 D157 Q158 A159 T175 I181 | L154-G156 PolarHBondContact O-N 3.5Å; L154-G156 VanDerWaalsContact O-N 3.16Å; L154-D157 VanDerWaalsContact CB-C 3.48Å; L154-D157 HydrophobicContact CB-CB 3.87Å; L154-D157 WeakPolarHBondContact CB-O 3.38Å; L154-D157 WeakPolarHBondContact O-CA 3.33Å; L154-D157 WeakPolarHBondContact O-CB 3.47Å; L154-D157 PolarHBondContact O-N 3.47Å; L154-Q158 VanDerWaalsContact CD1-C 3.48Å; L154-A159 HydrophobicContact CD1-CB 3.96Å; L154-T175 HydrophobicContact CD1-CG2 4.19Å; L154-T175 HydrophobicContact CD2-CG2 3.57Å; L154-I181 HydrophobicContact CD2-CD1 3.95Å | ||
| 155 | F | 56.7 | Low | 69.5 | Low | 159 Ų | 159 | 44.4 Ų | 44.4 | 70% | 0.697 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36.9 | -177.2 | -69.9 | -83.9 | 0 | 0 | 0 | 112.7 | G153 D157 | G153-F155 PolarHBondContact O-N 2.94Å; F155-D157 VanDerWaalsContact C-N 3.34Å |
| 156 | G | 61.2 | Low | 69.1 | Low | 69 Ų | 69 | 48.2 Ų | 48.2 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 1.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L154 R176 | L154-G156 PolarHBondContact O-N 3.5Å; L154-G156 VanDerWaalsContact O-N 3.16Å; G156-R176 PolarHBondContact O-NH2 3.23Å |
| 157 | D | 72.3 | Confident | 69 | Low | 16 Ų | 16 | 44 Ų | 44 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | trans | -78.1 | 164.5 | 162.2 | -169.7 | 17.8 | 0 | 0 | 0 | 110.3 | L154 F155 T175 R176 T177 H179 | L154-D157 VanDerWaalsContact CB-C 3.48Å; L154-D157 HydrophobicContact CB-CB 3.87Å; L154-D157 WeakPolarHBondContact CB-O 3.38Å; L154-D157 WeakPolarHBondContact O-CA 3.33Å; L154-D157 WeakPolarHBondContact O-CB 3.47Å; L154-D157 PolarHBondContact O-N 3.47Å; F155-D157 VanDerWaalsContact C-N 3.34Å; D157-T175 WeakPolarHBondContact OD2-CB 3.34Å; D157-T175 PolarHBondContact OD2-OG1 2.97Å; D157-R176 VanDerWaalsContact OD1-CB 3.29Å; D157-R176 WeakPolarHBondContact OD1-CB 3.34Å; D157-R176 PolarHBondContact OD1-N 3.28Å; D157-T177 HydrophobicContact CB-CG2 4.21Å; D157-T177 WeakPolarHBondContact OD1-CG2 3.48Å; D157-T177 PolarHBondContact OD1-N 2.94Å; D157-T177 PolarHBondContact OD2-N 2.99Å; D157-T177 PolarHBondContact OD2-OG1 2.85Å; D157-H179 IonicContact OD2-ND1 3.43Å | ||
| 158 | Q | 79.3 | Confident | 69.1 | Low | 62 Ų | 62 | 45.7 Ų | 45.7 | 29% | 0.29 | 28% | 0.281 | S | S | . | . | trans | -128.4 | 132.9 | -170.4 | 178 | -178.4 | 1.2 | 0 | 0 | 109 | L95 S125 L154 I160 T175 R176 | L95-Q158 HydrophobicContact CD1-CG 4Å; S125-Q158 WeakPolarHBondContact O-CG 3.43Å; L154-Q158 VanDerWaalsContact CD1-C 3.48Å; Q158-I160 PolarHBondContact O-N 2.73Å; Q158-T175 CarbonylContact O-C 3.49Å; Q158-T175 VanDerWaalsContact O-CA 3.23Å; Q158-T175 WeakPolarHBondContact O-CA 3.46Å; Q158-R176 HydrophobicContact CB-CB 4.18Å; Q158-R176 PolarHBondContact O-N 3.26Å | ||
| 159 | A | 84.5 | Confident | 70.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L101 L123 S125 L154 V173 | L101-A159 HydrophobicContact CD1-CB 4.07Å; L101-A159 HydrophobicContact CD2-CB 3.7Å; L123-A159 HydrophobicContact CD2-CB 3.83Å; S125-A159 PolarHBondContact O-N 2.94Å; L154-A159 HydrophobicContact CD1-CB 3.96Å; A159-V173 HydrophobicContact CB-CG1 3.96Å |
| 160 | I | 85 | Confident | 71.9 | Confident | 60 Ų | 60 | 38.8 Ų | 38.8 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -46.2 | -178.7 | -64.9 | -171.5 | 0 | 0 | 0 | 111 | S100 Q158 A174 R176 F247 | S100-I160 WeakPolarHBondContact CB-O 3.21Å; S100-I160 PolarHBondContact OG-O 2.94Å; Q158-I160 PolarHBondContact O-N 2.73Å; I160-A174 PolarHBondContact N-O 3.1Å; I160-R176 HydrophobicContact CD1-CB 3.61Å; I160-R176 HydrophobicContact CD1-CG 4.05Å; I160-R176 HydrophobicContact CG1-CB 4.04Å; I160-F247 HydrophobicContact CB-CD1 4.42Å; I160-F247 HydrophobicContact CB-CE1 4.36Å; I160-F247 HydrophobicContact CD1-CD1 4.19Å; I160-F247 HydrophobicContact CG2-CD1 4.29Å; I160-F247 HydrophobicContact CG2-CE1 4.08Å |
| 161 | Q | 89.7 | Confident | 73.8 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.7 | -173.3 | -172.9 | -180 | -5.4 | 0 | 0 | 110.7 | E163 V173 A174 F247 L250 | Q161-E163 PolarHBondContact NE2-OE2 3.47Å; Q161-E163 VanDerWaalsContact NE2-OE2 3.12Å; Q161-V173 CarbonylContact O-C 3.57Å; Q161-V173 WeakPolarHBondContact O-CA 3.39Å; Q161-A174 HydrophobicContact CB-CB 4.46Å; Q161-A174 PolarHBondContact N-O 3.45Å; Q161-A174 PolarHBondContact O-N 3.32Å; Q161-F247 HydrophobicContact CB-CE1 4.46Å; Q161-L250 PolarHBondContact NE2-O 3.33Å; Q161-L250 PolarHBondContact OE1-O 2.91Å |
| 162 | L | 90.8 | Very high | 75.6 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.6 | 169.7 | 178.6 | 76 | 0 | 0 | 0 | 107.9 | R53 S100 L101 L121 F171 I172 V173 I183 | R53-L162 PolarHBondContact NH1-O 3.39Å; S100-L162 WeakPolarHBondContact O-CB 3.43Å; S100-L162 PolarHBondContact O-N 2.81Å; L101-L162 HydrophobicContact CD2-CB 4.46Å; L121-L162 HydrophobicContact CD2-CD2 4.05Å; L121-L162 HydrophobicContact CG-CD2 4.47Å; L162-F171 HydrophobicContact CD1-CB 3.62Å; L162-F171 HydrophobicContact CD1-CD1 4.42Å; L162-F171 HydrophobicContact CD1-CG 4.22Å; L162-F171 HydrophobicContact CD2-CD1 4.37Å; L162-F171 HydrophobicContact CG-CB 4.27Å; L162-F171 HydrophobicContact CG-CD1 4.22Å; L162-I172 CarbonylContact C-O 3.58Å; L162-I172 WeakPolarHBondContact CA-O 3.42Å; L162-V173 HydrophobicContact CD1-CG2 3.33Å; L162-I183 HydrophobicContact CD1-CD1 4.37Å |
| 163 | E | 88.2 | Confident | 77.8 | Confident | 25 Ų | 25 | 32.5 Ų | 32.5 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.2 | -178.2 | -164.8 | 63.3 | -168 | 0 | 0 | 110.3 | R53 Q161 F171 I172 L250 | R53-E163 IonicContact CZ-OE2 2.69Å; R53-E163 IonicContact NH2-OE1 2.85Å; R53-E163 IonicContact NH2-OE2 3.7Å; R53-E163 PolarHBondContact NH2-OE2 2.98Å; Q161-E163 PolarHBondContact NE2-OE2 3.47Å; Q161-E163 VanDerWaalsContact NE2-OE2 3.12Å; E163-F171 CarbonylContact O-C 3.51Å; E163-F171 WeakPolarHBondContact O-CA 3.43Å; E163-I172 PolarHBondContact N-O 3.19Å; E163-I172 PolarHBondContact O-N 3.29Å; E163-L250 HydrophobicContact CB-CD2 3.82Å; E163-L250 HydrophobicContact CB-CG 4.29Å |
| 164 | H | 84.2 | Confident | 79.5 | Confident | 58 Ų | 58 | 31.1 Ų | 31.1 | 27% | 0.269 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.6 | 174.4 | 176 | -89 | 0 | 0 | 0 | 109.1 | F171 S252 | H164-F171 HydrophobicContact CB-CD1 3.86Å; H164-F171 HydrophobicContact CB-CE1 3.81Å; H164-F171 AromaticContact CD2-CE1 3.52Å; H164-F171 AromaticContact CD2-CZ 3.8Å; H164-S252 PolarHBondContact O-OG 3.17Å |
| 165 | I | 81 | Confident | 80.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -89.2 | 164.4 | 175 | 57.9 | 166.2 | 0 | 0 | 0 | 110.6 | V167 A170 I172 L182 I279 L283 | I165-V167 HydrophobicContact CD1-CB 4.05Å; I165-V167 HydrophobicContact CD1-CG2 4.08Å; I165-V167 HydrophobicContact CG1-CB 4.22Å; I165-V167 PolarHBondContact O-N 3.41Å; I165-A170 HydrophobicContact CD1-CB 3.57Å; I165-A170 HydrophobicContact CG1-CB 3.66Å; I165-A170 VanDerWaalsContact CG1-O 3.28Å; I165-A170 WeakPolarHBondContact CG1-O 3.49Å; I165-A170 PolarHBondContact N-O 3.31Å; I165-I172 HydrophobicContact CG2-CD1 3.59Å; I165-I172 HydrophobicContact CG2-CG1 3.69Å; I165-L182 HydrophobicContact CD1-CD1 3.8Å; I165-I279 HydrophobicContact CD1-CG2 4.05Å; I165-L283 HydrophobicContact CD1-CD2 3.98Å | ||
| 166 | H | 71.7 | Confident | 81.9 | Confident | 92 Ų | 92 | 28.9 Ų | 28.9 | 43% | 0.426 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -64.7 | -2.9 | -178 | -160.8 | 73 | 0 | 0 | 0 | 115.1 | T254 C264 | H166-T254 HydrophobicContact CB-CG2 3.31Å; H166-T254 WeakPolarHBondContact CD2-CG2 3.11Å; H166-T254 WeakPolarHBondContact ND1-CG2 3.29Å; H166-C264 HydrophobicContact CB-CB 4.28Å |
| 167 | V | 73.5 | Confident | 82.6 | Confident | 14 Ų | 14 | 27 Ų | 27 | 9% | 0.085 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -89.1 | 110.9 | 172.4 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | I165 G169 A170 Q281 L283 | I165-V167 HydrophobicContact CD1-CB 4.05Å; I165-V167 HydrophobicContact CD1-CG2 4.08Å; I165-V167 HydrophobicContact CG1-CB 4.22Å; I165-V167 PolarHBondContact O-N 3.41Å; V167-G169 PolarHBondContact O-N 2.95Å; V167-A170 HydrophobicContact CB-CB 4.1Å; V167-A170 HydrophobicContact CG1-CB 4.29Å; V167-A170 PolarHBondContact O-N 2.97Å; V167-Q281 HydrophobicContact CG2-CG 4.42Å; V167-L283 HydrophobicContact CB-CD2 4.27Å; V167-L283 HydrophobicContact CG1-CD2 4.1Å; V167-L283 HydrophobicContact CG2-CD2 4.29Å |
| 168 | S | 74 | Confident | 82.8 | Confident | 43 Ų | 43 | 26.2 Ų | 26.2 | 30% | 0.301 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 122.4 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | F106 R186 | F106-S168 PolarHBondContact O-OG 2.9Å; F106-S168 VanDerWaalsContact O-OG 3.06Å; S168-R186 WeakPolarHBondContact O-CD 3.38Å; S168-R186 VanDerWaalsContact O-CG 3.25Å; S168-R186 WeakPolarHBondContact O-CG 3.39Å |
| 169 | G | 79.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V167 T185 | V167-G169 PolarHBondContact O-N 2.95Å; G169-T185 WeakPolarHBondContact O-CA 3.44Å; G169-T185 WeakPolarHBondContact O-CB 3.49Å; G169-T185 PolarHBondContact O-N 3.48Å; G169-T185 PolarHBondContact O-OG1 3.31Å |
| 170 | A | 87.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 147.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | I165 V167 I183 L283 | I165-A170 HydrophobicContact CD1-CB 3.57Å; I165-A170 HydrophobicContact CG1-CB 3.66Å; I165-A170 VanDerWaalsContact CG1-O 3.28Å; I165-A170 WeakPolarHBondContact CG1-O 3.49Å; I165-A170 PolarHBondContact N-O 3.31Å; V167-A170 HydrophobicContact CB-CB 4.1Å; V167-A170 HydrophobicContact CG1-CB 4.29Å; V167-A170 PolarHBondContact O-N 2.97Å; A170-I183 CarbonylContact C-O 3.54Å; A170-I183 WeakPolarHBondContact CA-O 3.38Å; A170-L283 HydrophobicContact CB-CD2 3.83Å |
| 171 | F | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 157.3 | -174.5 | -56.8 | -95.7 | 0 | 0 | 0 | 111.2 | L105 L121 L162 E163 H164 L182 I183 T185 | L105-F171 HydrophobicContact CD2-CE2 3.72Å; L105-F171 HydrophobicContact CD2-CZ 3.8Å; L105-F171 HydrophobicContact CG-CZ 4.34Å; L121-F171 HydrophobicContact CD2-CD1 4.49Å; L121-F171 HydrophobicContact CD2-CD2 3.61Å; L121-F171 HydrophobicContact CD2-CE2 3.72Å; L121-F171 HydrophobicContact CD2-CG 4.04Å; L121-F171 HydrophobicContact CD2-CZ 4.21Å; L162-F171 HydrophobicContact CD1-CB 3.62Å; L162-F171 HydrophobicContact CD1-CD1 4.42Å; L162-F171 HydrophobicContact CD1-CG 4.22Å; L162-F171 HydrophobicContact CD2-CD1 4.37Å; L162-F171 HydrophobicContact CG-CB 4.27Å; L162-F171 HydrophobicContact CG-CD1 4.22Å; E163-F171 CarbonylContact O-C 3.51Å; E163-F171 WeakPolarHBondContact O-CA 3.43Å; H164-F171 HydrophobicContact CB-CD1 3.86Å; H164-F171 HydrophobicContact CB-CE1 3.81Å; H164-F171 AromaticContact CD2-CE1 3.52Å; H164-F171 AromaticContact CD2-CZ 3.8Å; F171-L182 CarbonylContact O-C 3.43Å; F171-L182 WeakPolarHBondContact O-CA 3.41Å; F171-I183 HydrophobicContact CB-CB 4.36Å; F171-I183 PolarHBondContact N-O 2.95Å; F171-I183 PolarHBondContact O-N 3.24Å; F171-T185 HydrophobicContact CD2-CG2 4.41Å; F171-T185 HydrophobicContact CE2-CG2 4.41Å |
| 172 | I | 89.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.1 | 169 | -59.2 | 171.3 | 0 | 0 | 0 | 109 | L162 E163 I165 L180 I181 L182 L197 L250 C266 I279 | L162-I172 CarbonylContact C-O 3.58Å; L162-I172 WeakPolarHBondContact CA-O 3.42Å; E163-I172 PolarHBondContact N-O 3.19Å; E163-I172 PolarHBondContact O-N 3.29Å; I165-I172 HydrophobicContact CG2-CD1 3.59Å; I165-I172 HydrophobicContact CG2-CG1 3.69Å; I172-L180 HydrophobicContact CG2-CB 4.06Å; I172-L180 HydrophobicContact CG2-CD2 4.27Å; I172-I181 CarbonylContact C-O 3.59Å; I172-I181 VanDerWaalsContact CA-O 3.29Å; I172-I181 WeakPolarHBondContact CA-O 3.28Å; I172-L182 HydrophobicContact CG1-CD1 4.08Å; I172-L197 HydrophobicContact CD1-CD1 4.46Å; I172-L250 HydrophobicContact CB-CD2 3.87Å; I172-L250 HydrophobicContact CG2-CD2 3.53Å; I172-C266 HydrophobicContact CD1-CB 3.92Å; I172-C266 WeakPolarHBondContact CD1-SG 3.2Å; I172-I279 HydrophobicContact CD1-CD1 3.38Å; I172-I279 HydrophobicContact CG1-CD1 4.12Å |
| 173 | V | 88.2 | Confident | 82.6 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.3 | 169.4 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | L123 A159 Q161 L162 T175 L180 I181 I183 | L123-V173 HydrophobicContact CD2-CB 4.34Å; L123-V173 HydrophobicContact CD2-CG1 3.79Å; L123-V173 HydrophobicContact CD2-CG2 3.55Å; A159-V173 HydrophobicContact CB-CG1 3.96Å; Q161-V173 CarbonylContact O-C 3.57Å; Q161-V173 WeakPolarHBondContact O-CA 3.39Å; L162-V173 HydrophobicContact CD1-CG2 3.33Å; V173-T175 HydrophobicContact CG1-CG2 4.49Å; V173-L180 CarbonylContact O-C 3.58Å; V173-L180 VanDerWaalsContact O-CA 3.3Å; V173-L180 WeakPolarHBondContact O-CA 3.43Å; V173-I181 HydrophobicContact CB-CB 4.28Å; V173-I181 PolarHBondContact N-O 3.19Å; V173-I181 PolarHBondContact O-N 3.34Å; V173-I183 HydrophobicContact CG2-CD1 3.39Å; V173-I183 HydrophobicContact CG2-CG1 4.15Å |
| 174 | A | 87.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I160 Q161 H179 L180 F247 L250 | I160-A174 PolarHBondContact N-O 3.1Å; Q161-A174 HydrophobicContact CB-CB 4.46Å; Q161-A174 PolarHBondContact N-O 3.45Å; Q161-A174 PolarHBondContact O-N 3.32Å; A174-H179 WeakPolarHBondContact CA-O 3.24Å; A174-L180 HydrophobicContact CB-CD2 3.77Å; A174-F247 HydrophobicContact CB-CD1 4.4Å; A174-F247 HydrophobicContact CB-CD2 4.18Å; A174-F247 HydrophobicContact CB-CE1 3.75Å; A174-F247 HydrophobicContact CB-CE2 3.5Å; A174-F247 VanDerWaalsContact CB-CE2 3.5Å; A174-F247 HydrophobicContact CB-CZ 3.23Å; A174-L250 HydrophobicContact CB-CB 4.34Å; A174-L250 HydrophobicContact CB-CD2 4.27Å |
| 175 | T | 83.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 164.5 | -179.8 | 77 | 0 | 0 | 0 | 0 | 111.9 | L154 D157 Q158 V173 T177 G178 H179 I181 | L154-T175 HydrophobicContact CD1-CG2 4.19Å; L154-T175 HydrophobicContact CD2-CG2 3.57Å; D157-T175 WeakPolarHBondContact OD2-CB 3.34Å; D157-T175 PolarHBondContact OD2-OG1 2.97Å; Q158-T175 CarbonylContact O-C 3.49Å; Q158-T175 VanDerWaalsContact O-CA 3.23Å; Q158-T175 WeakPolarHBondContact O-CA 3.46Å; V173-T175 HydrophobicContact CG1-CG2 4.49Å; T175-T177 VanDerWaalsContact C-N 3.26Å; T175-T177 PolarHBondContact O-N 3.48Å; T175-G178 WeakPolarHBondContact O-CA 3.41Å; T175-G178 PolarHBondContact O-N 3.07Å; T175-H179 HydrophobicContact CG2-CB 4.18Å; T175-H179 PolarHBondContact N-O 3.3Å; T175-H179 WeakPolarHBondContact OG1-CB 3.32Å; T175-H179 PolarHBondContact OG1-N 3.47Å; T175-H179 VanDerWaalsContact OG1-N 3.09Å; T175-I181 HydrophobicContact CG2-CD1 4.05Å |
| 176 | R | 78.2 | Confident | 82.3 | Confident | 134 Ų | 134 | 24.4 Ų | 24.4 | 51% | 0.506 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.8 | 179.3 | -177.1 | -179.2 | 66.2 | 160.3 | -1.5 | 112.8 | G156 D157 Q158 I160 G178 | G156-R176 PolarHBondContact O-NH2 3.23Å; D157-R176 VanDerWaalsContact OD1-CB 3.29Å; D157-R176 WeakPolarHBondContact OD1-CB 3.34Å; D157-R176 PolarHBondContact OD1-N 3.28Å; Q158-R176 HydrophobicContact CB-CB 4.18Å; Q158-R176 PolarHBondContact O-N 3.26Å; I160-R176 HydrophobicContact CD1-CB 3.61Å; I160-R176 HydrophobicContact CD1-CG 4.05Å; I160-R176 HydrophobicContact CG1-CB 4.04Å; R176-G178 PolarHBondContact O-N 3.31Å |
| 177 | T | 75.4 | Confident | 82.3 | Confident | 28 Ų | 28 | 24.9 Ų | 24.9 | 17% | 0.172 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 8.5 | 175.2 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | D157 T175 H179 | D157-T177 HydrophobicContact CB-CG2 4.21Å; D157-T177 WeakPolarHBondContact OD1-CG2 3.48Å; D157-T177 PolarHBondContact OD1-N 2.94Å; D157-T177 PolarHBondContact OD2-N 2.99Å; D157-T177 PolarHBondContact OD2-OG1 2.85Å; T175-T177 VanDerWaalsContact C-N 3.26Å; T175-T177 PolarHBondContact O-N 3.48Å; T177-H179 PolarHBondContact OG1-CE1 3.16Å; T177-H179 PolarHBondContact OG1-ND1 2.97Å |
| 178 | G | 76.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | 85.7 | 14.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T175 R176 Y270 | T175-G178 WeakPolarHBondContact O-CA 3.41Å; T175-G178 PolarHBondContact O-N 3.07Å; R176-G178 PolarHBondContact O-N 3.31Å; G178-Y270 PolarHBondContact O-OH 3.35Å | ||
| 179 | H | 80.3 | Confident | 81.5 | Confident | 35 Ų | 35 | 32.7 Ų | 32.7 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | trans | -76.7 | 143.6 | 173 | -60.7 | 95.1 | 0 | 0 | 0 | 110.7 | D157 A174 T175 T177 L196 | D157-H179 IonicContact OD2-ND1 3.43Å; A174-H179 WeakPolarHBondContact CA-O 3.24Å; T175-H179 HydrophobicContact CG2-CB 4.18Å; T175-H179 PolarHBondContact N-O 3.3Å; T175-H179 WeakPolarHBondContact OG1-CB 3.32Å; T175-H179 PolarHBondContact OG1-N 3.47Å; T175-H179 VanDerWaalsContact OG1-N 3.09Å; T177-H179 PolarHBondContact OG1-CE1 3.16Å; T177-H179 PolarHBondContact OG1-ND1 2.97Å; H179-L196 HydrophobicContact CB-CD1 3.96Å | ||
| 180 | L | 84.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.1 | 174.8 | -58.3 | 179 | 0 | 0 | 0 | 109.4 | I172 V173 A174 L197 L250 A268 W277 | I172-L180 HydrophobicContact CG2-CB 4.06Å; I172-L180 HydrophobicContact CG2-CD2 4.27Å; V173-L180 CarbonylContact O-C 3.58Å; V173-L180 VanDerWaalsContact O-CA 3.3Å; V173-L180 WeakPolarHBondContact O-CA 3.43Å; A174-L180 HydrophobicContact CB-CD2 3.77Å; L180-L197 HydrophobicContact CB-CB 4.15Å; L180-L197 HydrophobicContact CB-CD1 3.88Å; L180-L197 HydrophobicContact CB-CG 4.28Å; L180-L197 WeakPolarHBondContact O-CB 3.31Å; L180-L197 PolarHBondContact O-N 2.8Å; L180-L250 HydrophobicContact CD1-CD1 4.48Å; L180-L250 HydrophobicContact CD2-CD1 4.14Å; L180-L250 HydrophobicContact CD2-CD2 4.21Å; L180-A268 HydrophobicContact CD1-CB 3.85Å; L180-A268 HydrophobicContact CD2-CB 4.42Å; L180-W277 HydrophobicContact CD1-CG 4.46Å |
| 181 | I | 85.1 | Confident | 79.7 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117 | -176.2 | -54.8 | 161 | 0 | 0 | 0 | 108.4 | I151 L154 I172 V173 T175 I183 R195 L196 | I151-I181 HydrophobicContact CD1-CG2 4.41Å; I151-I181 HydrophobicContact CG2-CD1 3.73Å; I151-I181 HydrophobicContact CG2-CG2 4.37Å; L154-I181 HydrophobicContact CD2-CD1 3.95Å; I172-I181 CarbonylContact C-O 3.59Å; I172-I181 VanDerWaalsContact CA-O 3.29Å; I172-I181 WeakPolarHBondContact CA-O 3.28Å; V173-I181 HydrophobicContact CB-CB 4.28Å; V173-I181 PolarHBondContact N-O 3.19Å; V173-I181 PolarHBondContact O-N 3.34Å; T175-I181 HydrophobicContact CG2-CD1 4.05Å; I181-I183 HydrophobicContact CG2-CG1 4.45Å; I181-R195 CarbonylContact C-O 3.51Å; I181-L196 HydrophobicContact CG1-CD1 4.02Å |
| 182 | L | 87.9 | Confident | 79 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.3 | 172.2 | -176 | 64.9 | 0 | 0 | 0 | 109.9 | I165 F171 I172 T194 R195 L197 I279 L283 | I165-L182 HydrophobicContact CD1-CD1 3.8Å; F171-L182 CarbonylContact O-C 3.43Å; F171-L182 WeakPolarHBondContact O-CA 3.41Å; I172-L182 HydrophobicContact CG1-CD1 4.08Å; L182-T194 CarbonylContact O-C 3.54Å; L182-T194 VanDerWaalsContact O-CA 3.23Å; L182-T194 WeakPolarHBondContact O-CA 3.39Å; L182-R195 HydrophobicContact CB-CB 4.47Å; L182-R195 PolarHBondContact N-O 3.46Å; L182-R195 PolarHBondContact O-N 2.86Å; L182-L197 HydrophobicContact CB-CD2 4.04Å; L182-L197 HydrophobicContact CB-CG 4.46Å; L182-I279 HydrophobicContact CD1-CD1 4.44Å; L182-L283 HydrophobicContact CD1-CD2 4.46Å; L182-L283 HydrophobicContact CD2-CB 3.92Å; L182-L283 HydrophobicContact CD2-CD2 4.34Å; L182-L283 HydrophobicContact CD2-CG 4.5Å |
| 183 | I | 87.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.8 | -179.7 | -56.7 | -167.2 | 0 | 0 | 0 | 108.3 | L130 L162 A170 F171 V173 I181 T185 V192 T194 | L130-I183 HydrophobicContact CD1-CD1 3.84Å; L130-I183 HydrophobicContact CD1-CG2 3.93Å; L162-I183 HydrophobicContact CD1-CD1 4.37Å; A170-I183 CarbonylContact C-O 3.54Å; A170-I183 WeakPolarHBondContact CA-O 3.38Å; F171-I183 HydrophobicContact CB-CB 4.36Å; F171-I183 PolarHBondContact N-O 2.95Å; F171-I183 PolarHBondContact O-N 3.24Å; V173-I183 HydrophobicContact CG2-CD1 3.39Å; V173-I183 HydrophobicContact CG2-CG1 4.15Å; I181-I183 HydrophobicContact CG2-CG1 4.45Å; I183-T185 HydrophobicContact CG2-CG2 3.9Å; I183-V192 HydrophobicContact CG2-CG1 3.38Å; I183-T194 HydrophobicContact CB-CG2 4.29Å; I183-T194 HydrophobicContact CD1-CG2 4.44Å; I183-T194 HydrophobicContact CG1-CG2 3.87Å; I183-T194 HydrophobicContact CG2-CG2 4.2Å |
| 184 | D | 86.8 | Confident | 78 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.7 | 175 | -173.5 | -0.9 | 0 | 0 | 0 | 110 | R186 V193 L283 | D184-R186 VanDerWaalsContact OD1-CB 3.28Å; D184-R186 WeakPolarHBondContact OD1-CB 3.33Å; D184-R186 VanDerWaalsContact OD1-CG 3.22Å; D184-R186 WeakPolarHBondContact OD1-CG 3.3Å; D184-R186 IonicContact OD1-CZ 2.96Å; D184-R186 PolarHBondContact OD1-N 2.93Å; D184-R186 IonicContact OD1-NE 2.81Å; D184-R186 PolarHBondContact OD1-NE 3.4Å; D184-R186 IonicContact OD1-NH2 3.67Å; D184-R186 IonicContact OD2-CZ 3.25Å; D184-R186 IonicContact OD2-NE 3.91Å; D184-R186 PolarHBondContact OD2-NE 3.49Å; D184-R186 IonicContact OD2-NH2 2.68Å; D184-R186 PolarHBondContact OD2-NH2 3.37Å; D184-V193 HydrophobicContact CB-CB 4.29Å; D184-V193 PolarHBondContact N-O 3.44Å; D184-V193 PolarHBondContact O-N 2.91Å; D184-V193 VanDerWaalsContact O-N 3.14Å; D184-L283 HydrophobicContact CB-CD1 3.59Å; D184-L283 VanDerWaalsContact CG-CD1 3.45Å; D184-L283 WeakPolarHBondContact OD2-CD1 3.3Å |
| 185 | T | 83.7 | Confident | 77.7 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | trans | -109.1 | 8.5 | 179.5 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | L105 L121 G169 F171 I183 N187 V192 | L105-T185 WeakPolarHBondContact CD2-OG1 3.38Å; L121-T185 HydrophobicContact CD1-CG2 4.37Å; L121-T185 HydrophobicContact CD2-CG2 4.22Å; G169-T185 WeakPolarHBondContact O-CA 3.44Å; G169-T185 WeakPolarHBondContact O-CB 3.49Å; G169-T185 PolarHBondContact O-N 3.48Å; G169-T185 PolarHBondContact O-OG1 3.31Å; F171-T185 HydrophobicContact CD2-CG2 4.41Å; F171-T185 HydrophobicContact CE2-CG2 4.41Å; I183-T185 HydrophobicContact CG2-CG2 3.9Å; T185-N187 VanDerWaalsContact C-N 3.28Å; T185-N187 PolarHBondContact O-N 3.29Å; T185-V192 HydrophobicContact CG2-CG1 4.03Å; T185-V192 HydrophobicContact CG2-CG2 4.21Å | ||
| 186 | R | 76.3 | Confident | 77.6 | Confident | 105 Ų | 105 | 55 Ų | 55 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -62.7 | -32.8 | -174.3 | -67.2 | 175.9 | -62.5 | 174 | 5.5 | 113.2 | S168 D184 P188 Q281 | S168-R186 WeakPolarHBondContact O-CD 3.38Å; S168-R186 VanDerWaalsContact O-CG 3.25Å; S168-R186 WeakPolarHBondContact O-CG 3.39Å; D184-R186 VanDerWaalsContact OD1-CB 3.28Å; D184-R186 WeakPolarHBondContact OD1-CB 3.33Å; D184-R186 VanDerWaalsContact OD1-CG 3.22Å; D184-R186 WeakPolarHBondContact OD1-CG 3.3Å; D184-R186 IonicContact OD1-CZ 2.96Å; D184-R186 PolarHBondContact OD1-N 2.93Å; D184-R186 IonicContact OD1-NE 2.81Å; D184-R186 PolarHBondContact OD1-NE 3.4Å; D184-R186 IonicContact OD1-NH2 3.67Å; D184-R186 IonicContact OD2-CZ 3.25Å; D184-R186 IonicContact OD2-NE 3.91Å; D184-R186 PolarHBondContact OD2-NE 3.49Å; D184-R186 IonicContact OD2-NH2 2.68Å; D184-R186 PolarHBondContact OD2-NH2 3.37Å; R186-P188 VanDerWaalsContact O-CD 3.23Å; R186-P188 WeakPolarHBondContact O-CD 3.26Å; R186-Q281 PolarHBondContact NH1-O 2.96Å |
| 187 | N | 73.4 | Confident | 77.7 | Confident | 103 Ų | 103 | 49.1 Ų | 49.1 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | trans | -111.8 | 81.6 | 176.4 | -73.5 | -8.3 | 0 | 0 | 0 | 111.2 | T185 Q189 D190 | T185-N187 VanDerWaalsContact C-N 3.28Å; T185-N187 PolarHBondContact O-N 3.29Å; N187-Q189 PolarHBondContact O-N 3.11Å; N187-Q189 VanDerWaalsContact O-N 3.12Å; N187-D190 HydrophobicContact CB-CB 4.33Å; N187-D190 PolarHBondContact O-N 3.46Å | ||
| 188 | P | 64.8 | Low | 77.6 | Confident | 44 Ų | 44 | 50 Ų | 50 | 29% | 0.286 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -64.3 | -19.6 | -177.6 | 25.8 | -34.9 | 0 | 0 | 0 | 113.9 | L132 R186 | L132-P188 HydrophobicContact CD2-CB 3.86Å; R186-P188 VanDerWaalsContact O-CD 3.23Å; R186-P188 WeakPolarHBondContact O-CD 3.26Å |
| 189 | Q | 66.2 | Low | 77 | Confident | 176 Ų | 176 | 54.5 Ų | 54.5 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -75.1 | -27.3 | 179 | -61.4 | -66.6 | -15.9 | 0 | 0 | 113 | N187 | N187-Q189 PolarHBondContact O-N 3.11Å; N187-Q189 VanDerWaalsContact O-N 3.12Å |
| 190 | D | 59.8 | Low | 75.7 | Confident | 118 Ų | 118 | 56.6 Ų | 56.6 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -98 | 16.8 | -173.8 | -69.2 | -27.2 | 0 | 0 | 0 | 113 | N187 | N187-D190 HydrophobicContact CB-CB 4.33Å; N187-D190 PolarHBondContact O-N 3.46Å |
| 191 | N | 67.6 | Low | 73.7 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 57% | 0.572 | 33% | 0.327 | S | S | * | . | trans | 64.7 | 159.6 | -164.8 | -58.8 | -44.9 | 0 | 0 | 0 | 114 | V193 | N191-V193 PolarHBondContact O-N 2.94Š| ||
| 192 | V | 75.7 | Confident | 71.3 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | trans | -74 | 123 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | L130 I183 T185 T194 | L130-V192 HydrophobicContact CD1-CG1 4.12Å; L130-V192 HydrophobicContact CD2-CB 4.39Å; L130-V192 HydrophobicContact CD2-CG1 4.37Å; L130-V192 HydrophobicContact CD2-CG2 3.81Å; I183-V192 HydrophobicContact CG2-CG1 3.38Å; T185-V192 HydrophobicContact CG2-CG1 4.03Å; T185-V192 HydrophobicContact CG2-CG2 4.21Å; V192-T194 HydrophobicContact CG1-CG2 4.26Å | ||
| 193 | V | 78.7 | Confident | 69.1 | Low | 83 Ų | 83 | 73.1 Ų | 73.1 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.3 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | D184 N191 | D184-V193 HydrophobicContact CB-CB 4.29Å; D184-V193 PolarHBondContact N-O 3.44Å; D184-V193 PolarHBondContact O-N 2.91Å; D184-V193 VanDerWaalsContact O-N 3.14Å; N191-V193 PolarHBondContact O-N 2.94Å |
| 194 | T | 78.9 | Confident | 66.5 | Low | 21 Ų | 21 | 76.8 Ų | 76.8 | 13% | 0.129 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 113 | L147 L182 I183 V192 | L147-T194 HydrophobicContact CD2-CG2 3.08Å; L182-T194 CarbonylContact O-C 3.54Å; L182-T194 VanDerWaalsContact O-CA 3.23Å; L182-T194 WeakPolarHBondContact O-CA 3.39Å; I183-T194 HydrophobicContact CB-CG2 4.29Å; I183-T194 HydrophobicContact CD1-CG2 4.44Å; I183-T194 HydrophobicContact CG1-CG2 3.87Å; I183-T194 HydrophobicContact CG2-CG2 4.2Å; V192-T194 HydrophobicContact CG1-CG2 4.26Å |
| 195 | R | 80.6 | Confident | 64 | Low | 102 Ų | 102 | 83.2 Ų | 83.2 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128 | -178.2 | -167.7 | 179.5 | -63.1 | 145.6 | -5.7 | 110.2 | I181 L182 L283 Y285 | I181-R195 CarbonylContact C-O 3.51Å; L182-R195 HydrophobicContact CB-CB 4.47Å; L182-R195 PolarHBondContact N-O 3.46Å; L182-R195 PolarHBondContact O-N 2.86Å; R195-L283 PolarHBondContact NH1-O 2.83Å; R195-Y285 VanDerWaalsContact CD-CE1 3.41Å; R195-Y285 HydrophobicContact CG-CE1 4.28Å |
| 196 | L | 81.6 | Confident | 61.6 | Low | 37 Ų | 37 | 93.4 Ų | 93.4 | 19% | 0.194 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.7 | 172.4 | -179.1 | 70.8 | 0 | 0 | 0 | 109.6 | I151 H179 I181 T198 L237 | I151-L196 HydrophobicContact CD1-CB 4.49Å; H179-L196 HydrophobicContact CB-CD1 3.96Å; I181-L196 HydrophobicContact CG1-CD1 4.02Å; L196-T198 HydrophobicContact CD2-CG2 3.9Å; L196-T198 HydrophobicContact CG-CG2 4.01Å; L196-T198 PolarHBondContact O-N 3.14Å; L196-L237 HydrophobicContact CD2-CD2 3.25Å |
| 197 | L | 80.3 | Confident | 59.6 | Low | 10 Ų | 10 | 94 Ų | 94 | 5% | 0.052 | 51% | 0.513 | C | S | . | . | trans | -79.4 | 118.7 | 174 | -56.1 | -177.6 | 0 | 0 | 0 | 109.1 | I172 L180 L182 W277 I279 Y285 | I172-L197 HydrophobicContact CD1-CD1 4.46Å; L180-L197 HydrophobicContact CB-CB 4.15Å; L180-L197 HydrophobicContact CB-CD1 3.88Å; L180-L197 HydrophobicContact CB-CG 4.28Å; L180-L197 WeakPolarHBondContact O-CB 3.31Å; L180-L197 PolarHBondContact O-N 2.8Å; L182-L197 HydrophobicContact CB-CD2 4.04Å; L182-L197 HydrophobicContact CB-CG 4.46Å; L197-W277 HydrophobicContact CB-CE3 4.44Å; L197-W277 HydrophobicContact CB-CH2 4.31Å; L197-W277 HydrophobicContact CB-CZ3 4.19Å; L197-I279 HydrophobicContact CD1-CD1 4.31Å; L197-Y285 HydrophobicContact CB-CD2 4.48Å; L197-Y285 HydrophobicContact CD2-CD1 3.68Å; L197-Y285 HydrophobicContact CD2-CD2 3.65Å; L197-Y285 HydrophobicContact CD2-CE1 4.11Å; L197-Y285 HydrophobicContact CD2-CE2 4.05Å; L197-Y285 HydrophobicContact CD2-CG 3.44Å; L197-Y285 VanDerWaalsContact CD2-CG 3.44Å | ||
| 198 | T | 75 | Confident | 57.6 | Low | 47 Ų | 47 | 97.3 Ų | 97.3 | 29% | 0.288 | 53% | 0.526 | S | S | . | . | trans | -125.1 | 151.6 | 177.4 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | L196 T200 | L196-T198 HydrophobicContact CD2-CG2 3.9Å; L196-T198 HydrophobicContact CG-CG2 4.01Å; L196-T198 PolarHBondContact O-N 3.14Å; T198-T200 PolarHBondContact O-N 3.15Å; T198-T200 VanDerWaalsContact O-N 3.15Å; T198-T200 PolarHBondContact OG1-OG1 2.9Å | ||
| 199 | N | 62.6 | Low | 56.2 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -72.5 | 1.3 | 177.5 | -167 | 11.2 | 0 | 0 | 0 | 113 | N201 I287 | N199-N201 PolarHBondContact O-N 2.83Å; N199-I287 VanDerWaalsContact OD1-CG2 3.26Å; N199-I287 WeakPolarHBondContact OD1-CG2 3.35Å |
| 200 | T | 53.1 | Low | 55.3 | Low | 79 Ų | 79 | 98.5 Ų | 98.5 | 49% | 0.485 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -85.1 | 107.1 | -177.9 | 54.4 | 0 | 0 | 0 | 0 | 109.3 | T198 D202 | T198-T200 PolarHBondContact O-N 3.15Å; T198-T200 VanDerWaalsContact O-N 3.15Å; T198-T200 PolarHBondContact OG1-OG1 2.9Å; T200-D202 PolarHBondContact O-N 2.81Å; T200-D202 VanDerWaalsContact O-N 3.16Å |
| 201 | N | 42.2 | Very low | 54.4 | Low | 141 Ų | 141 | 101 Ų | 101 | 75% | 0.754 | 56% | 0.562 | S | S | * | * | trans | -48.4 | 122 | 168 | -74.9 | -15.4 | 0 | 0 | 0 | 109.4 | N199 G203 | N199-N201 PolarHBondContact O-N 2.83Å; N201-G203 PolarHBondContact O-N 2.95Å | ||
| 202 | D | 36.2 | Very low | 53 | Low | 156 Ų | 156 | 101.5 Ų | 101.5 | 83% | 0.834 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | 111.8 | -177 | -107.1 | -29.4 | 0 | 0 | 0 | 111 | T200 | T200-D202 PolarHBondContact O-N 2.81Å; T200-D202 VanDerWaalsContact O-N 3.16Å |
| 203 | G | 40.2 | Very low | 51.4 | Low | 65 Ų | 65 | 103.9 Ų | 103.9 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.5 | -34 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N201 | N201-G203 PolarHBondContact O-N 2.95Š|
| 204 | S | 32.4 | Very low | 49.7 | Very low | 78 Ų | 78 | 108 Ų | 108 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | 4.9 | -169.3 | -172.7 | 0 | 0 | 0 | 0 | 116.3 | R206 | S204-R206 VanDerWaalsContact C-N 3.29Š|
| 205 | L | 35.2 | Very low | 47.7 | Very low | 164 Ų | 164 | 110.5 Ų | 110.5 | 86% | 0.859 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 2.2 | 172 | -77.6 | 170.9 | 0 | 0 | 0 | 113.7 | ||
| 206 | R | 32.1 | Very low | 45.8 | Very low | 221 Ų | 221 | 116 Ų | 116 | 83% | 0.834 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -102 | 123.8 | 163.4 | -67 | -171.3 | 177.5 | -167.2 | 0.6 | 108.2 | S204 | S204-R206 VanDerWaalsContact C-N 3.29Š|
| 207 | S | 34.6 | Very low | 43.9 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | 65 | 76.7 | 178.1 | 70 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 208 | Q | 32.7 | Very low | 41.7 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | -106.8 | 123.3 | 143.8 | -75.5 | -167.8 | -16.5 | 0 | 0 | 108.5 | ||||
| 209 | G | 34.7 | Very low | 39.8 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | -61.6 | 156.9 | -157.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L211 | G209-L211 PolarHBondContact O-N 3.47Š| ||
| 210 | L | 46.2 | Very low | 38.4 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 14 | -177.7 | -84.2 | 160.3 | 0 | 0 | 0 | 116.6 | ||
| 211 | L | 42.1 | Very low | 37.6 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 14.2 | -172.9 | -63.2 | 178 | 0 | 0 | 0 | 116 | G209 G213 | G209-L211 PolarHBondContact O-N 3.47Å; L211-G213 PolarHBondContact O-N 3Å |
| 212 | S | 38.6 | Very low | 37.3 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -82.8 | 10.4 | 169 | -161.9 | 0 | 0 | 0 | 0 | 113.8 | L214 | S212-L214 PolarHBondContact O-N 3.1Š| ||
| 213 | G | 41.7 | Very low | 37.2 | Very low | 61 Ų | 61 | 139.5 Ų | 139.5 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -4.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | L211 | L211-G213 PolarHBondContact O-N 3Š|
| 214 | L | 42.2 | Very low | 36.7 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -17.8 | -172.2 | -108 | 78.9 | 0 | 0 | 0 | 115.9 | S212 | S212-L214 PolarHBondContact O-N 3.1Š|
| 215 | G | 36.9 | Very low | 36.6 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -12.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 216 | R | 41.8 | Very low | 36.2 | Very low | 216 Ų | 216 | 143.9 Ų | 143.9 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 11.1 | -165.4 | -74.5 | -170.4 | 177.8 | -168.3 | -0.3 | 116.7 | V218 | R216-V218 PolarHBondContact O-N 3.44Å; R216-V218 VanDerWaalsContact O-N 3.17Å |
| 217 | R | 40.8 | Very low | 36.1 | Very low | 232 Ų | 232 | 138.9 Ų | 138.9 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 12.5 | -177.3 | -75.7 | -166.9 | 177.2 | -163.2 | 0.2 | 116.3 | ||
| 218 | V | 34.9 | Very low | 35.7 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 16.5 | 179.7 | -135.8 | 0 | 0 | 0 | 0 | 115.9 | R216 | R216-V218 PolarHBondContact O-N 3.44Å; R216-V218 VanDerWaalsContact O-N 3.17Å |
| 219 | S | 34.5 | Very low | 35.6 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | trans | -116.4 | 28.9 | 175.9 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 220 | N | 33.2 | Very low | 35.4 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | trans | -96.2 | 4 | -179.8 | -84.1 | 6.4 | 0 | 0 | 0 | 115.2 | ||||
| 221 | F | 36.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -92 | -9.4 | -176.7 | -102.6 | -81.3 | 0 | 0 | 0 | 116 | ||
| 222 | F | 35.2 | Very low | 34 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -121.2 | 16.5 | 178.7 | -75.3 | -72.8 | 0 | 0 | 0 | 115.5 | ||
| 223 | S | 35.6 | Very low | 33.6 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 52% | 0.524 | 80% | 0.796 | S | S | . | * | trans | -108.3 | 23.9 | 175.8 | 85.2 | 0 | 0 | 0 | 0 | 114.8 | V225 | S223-V225 VanDerWaalsContact C-N 3.26Å; S223-V225 PolarHBondContact O-N 3.06Å | ||
| 224 | L | 29 | Very low | 33.3 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 10.4 | -172.1 | -99.2 | 164.8 | 0 | 0 | 0 | 116.1 | ||
| 225 | V | 29.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 32.2 | 172.1 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | S223 | S223-V225 VanDerWaalsContact C-N 3.26Å; S223-V225 PolarHBondContact O-N 3.06Å |
| 226 | S | 27.7 | Very low | 33.2 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -138.3 | 116.2 | 165.9 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 227 | S | 29.4 | Very low | 33.4 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 70.4 | 92.6 | 159.7 | 62.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 228 | T | 27.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 102.7 | 144.2 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 229 | A | 29.6 | Very low | 34.1 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -160.2 | 137 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 230 | T | 29.7 | Very low | 35 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -54.5 | 133.5 | -171.4 | 46.5 | 0 | 0 | 0 | 0 | 116.6 | G232 | T230-G232 PolarHBondContact O-N 3.14Š| ||
| 231 | S | 28.5 | Very low | 35.5 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 92% | 0.923 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 30.9 | 72.1 | 140.3 | 178.5 | 0 | 0 | 0 | 0 | 117.2 | ||
| 232 | G | 31.3 | Very low | 36.2 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | -153.5 | 126.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | T230 G234 | T230-G232 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact C-N 3.25Å; G232-G234 PolarHBondContact O-N 3.42Å | ||
| 233 | Q | 30.3 | Very low | 37.1 | Very low | 212 Ų | 212 | 113.5 Ų | 113.5 | 99% | 0.991 | 72% | 0.715 | S | S | * | * | trans | -66 | 78 | -177.8 | -69.3 | -177.9 | -6.5 | 0 | 0 | 111.5 | ||||
| 234 | G | 34.4 | Very low | 38.1 | Very low | 70 Ų | 70 | 115.1 Ų | 115.1 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -106.9 | 111.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G232 S236 | G232-G234 VanDerWaalsContact C-N 3.25Å; G232-G234 PolarHBondContact O-N 3.42Å; G234-S236 PolarHBondContact O-N 3.29Å | ||
| 235 | K | 39 | Very low | 39.9 | Very low | 203 Ų | 203 | 110.5 Ų | 110.5 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 118.9 | 173.6 | -67.7 | 172.8 | 179 | 175.1 | 0 | 108.5 | ||
| 236 | S | 39.3 | Very low | 42.1 | Very low | 107 Ų | 107 | 107 Ų | 107 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -66 | 130.6 | 170.1 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | G234 | G234-S236 PolarHBondContact O-N 3.29Š|
| 237 | L | 44.9 | Very low | 44.8 | Very low | 95 Ų | 95 | 102.9 Ų | 102.9 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 134.9 | 167.8 | -97.3 | 83.3 | 0 | 0 | 0 | 108.9 | L196 A239 | L196-L237 HydrophobicContact CD2-CD2 3.25Å; L237-A239 PolarHBondContact O-N 3.18Å |
| 238 | P | 44.4 | Very low | 47.5 | Very low | 114 Ų | 114 | 99.5 Ų | 99.5 | 74% | 0.74 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.5 | 171.7 | 27.6 | -31.3 | 0 | 0 | 0 | 109 | R240 | P238-R240 PolarHBondContact O-N 2.93Š|
| 239 | A | 46.2 | Very low | 50.5 | Low | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 133 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L237 G241 | L237-A239 PolarHBondContact O-N 3.18Å; A239-G241 PolarHBondContact O-N 3.28Å |
| 240 | R | 53.2 | Low | 53.4 | Low | 78 Ų | 78 | 90.5 Ų | 90.5 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -59.5 | -20.4 | 166.3 | -116.9 | -179.7 | 167.8 | -168.9 | -9.9 | 111.5 | P238 G242 F245 Y270 D275 | P238-R240 PolarHBondContact O-N 2.93Å; R240-G242 PolarHBondContact O-N 3.11Å; R240-G242 VanDerWaalsContact O-N 3.1Å; R240-F245 WeakPolarHBondContact O-CB 3.34Å; R240-F245 WeakPolarHBondContact O-CD2 3.45Å; R240-Y270 PolarHBondContact NH1-OH 3.49Å; R240-D275 IonicContact CZ-OD2 2.84Å; R240-D275 IonicContact NH1-OD2 3.86Å; R240-D275 PolarHBondContact NH1-OD2 3.18Å; R240-D275 VanDerWaalsContact NH1-OD2 3.1Å; R240-D275 IonicContact NH2-OD2 3.05Å; R240-D275 PolarHBondContact NH2-OD2 2.82Å |
| 241 | G | 44.7 | Very low | 56.2 | Low | 39 Ų | 39 | 85.3 Ų | 85.3 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | trans | -72.1 | 90 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | A239 | A239-G241 PolarHBondContact O-N 3.28Š| ||
| 242 | G | 51.6 | Low | 58.9 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -92.4 | 175.4 | 141 | 0 | 0 | 0 | 0 | 0 | 109.9 | R240 N244 F245 | R240-G242 PolarHBondContact O-N 3.11Å; R240-G242 VanDerWaalsContact O-N 3.1Å; G242-N244 PolarHBondContact O-N 3.2Å; G242-F245 PolarHBondContact O-N 3.4Å |
| 243 | E | 53.1 | Low | 61.2 | Low | 188 Ų | 188 | 77.9 Ų | 77.9 | 88% | 0.879 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -20 | 176.9 | -69.2 | -178 | 157.5 | 0 | 0 | 113.6 | ||
| 244 | N | 56.8 | Low | 63.2 | Low | 109 Ų | 109 | 69.5 Ų | 69.5 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -12.8 | 179.2 | -66.9 | -12.4 | 0 | 0 | 0 | 115.8 | G242 | G242-N244 PolarHBondContact O-N 3.2Š|
| 245 | F | 66.8 | Low | 64.7 | Low | 55 Ų | 55 | 66.7 Ų | 66.7 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | trans | -117.1 | 58.4 | -175.5 | -78.9 | -80 | 0 | 0 | 0 | 112 | R240 G242 Y270 | R240-F245 WeakPolarHBondContact O-CB 3.34Å; R240-F245 WeakPolarHBondContact O-CD2 3.45Å; G242-F245 PolarHBondContact O-N 3.4Å; F245-Y270 HydrophobicContact CD1-CD1 4.42Å; F245-Y270 HydrophobicContact CD1-CG 4.44Å | ||
| 246 | V | 77.3 | Confident | 65.5 | Low | 73 Ų | 73 | 59.1 Ų | 59.1 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | trans | -82.5 | 115.4 | 170.8 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | Y270 K271 | V246-Y270 CarbonylContact O-C 3.6Å; V246-Y270 VanDerWaalsContact O-CA 3.27Å; V246-Y270 WeakPolarHBondContact O-CA 3.36Å; V246-K271 HydrophobicContact CB-CB 4.08Å; V246-K271 HydrophobicContact CB-CD 4.44Å; V246-K271 PolarHBondContact O-N 2.87Å | ||
| 247 | F | 83.6 | Confident | 66.1 | Low | 14 Ų | 14 | 54.5 Ų | 54.5 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 135.8 | 175 | 174.2 | -98.4 | 0 | 0 | 0 | 110.8 | I160 Q161 A174 L250 Y270 | I160-F247 HydrophobicContact CB-CD1 4.42Å; I160-F247 HydrophobicContact CB-CE1 4.36Å; I160-F247 HydrophobicContact CD1-CD1 4.19Å; I160-F247 HydrophobicContact CG2-CD1 4.29Å; I160-F247 HydrophobicContact CG2-CE1 4.08Å; Q161-F247 HydrophobicContact CB-CE1 4.46Å; A174-F247 HydrophobicContact CB-CD1 4.4Å; A174-F247 HydrophobicContact CB-CD2 4.18Å; A174-F247 HydrophobicContact CB-CE1 3.75Å; A174-F247 HydrophobicContact CB-CE2 3.5Å; A174-F247 VanDerWaalsContact CB-CE2 3.5Å; A174-F247 HydrophobicContact CB-CZ 3.23Å; F247-L250 HydrophobicContact CE2-CB 4.05Å; F247-L250 HydrophobicContact CZ-CB 3.83Å; F247-Y270 HydrophobicContact CB-CD1 4.29Å; F247-Y270 HydrophobicContact CB-CE1 4.41Å; F247-Y270 HydrophobicContact CD2-CD1 4.42Å; F247-Y270 HydrophobicContact CD2-CE1 4.12Å |
| 248 | I | 85.9 | Confident | 66.4 | Low | 44 Ų | 44 | 54.8 Ų | 54.8 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -63.4 | 178.1 | -65.8 | 177.5 | 0 | 0 | 0 | 110.1 | L269 K271 A312 V313 | I248-L269 HydrophobicContact CB-CB 4.47Å; I248-L269 HydrophobicContact CB-CD2 4.23Å; I248-L269 HydrophobicContact CB-CG 4.22Å; I248-L269 WeakPolarHBondContact CB-O 3.35Å; I248-L269 HydrophobicContact CD1-CD2 4.22Å; I248-L269 HydrophobicContact CD1-CG 4.23Å; I248-L269 HydrophobicContact CG2-CD2 3.95Å; I248-L269 HydrophobicContact CG2-CG 4.48Å; I248-L269 PolarHBondContact N-O 3.34Å; I248-K271 HydrophobicContact CD1-CB 4.34Å; I248-A312 HydrophobicContact CD1-CB 3.92Å; I248-A312 WeakPolarHBondContact CD1-O 3.32Å; I248-V313 WeakPolarHBondContact CG2-O 3.4Å |
| 249 | R | 89.7 | Confident | 66.7 | Low | 57 Ų | 57 | 54.7 Ų | 54.7 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 149.6 | -172 | -171.1 | 171.9 | -173.1 | 174.8 | -1.7 | 112.1 | I251 L269 D314 F315 F391 | R249-I251 HydrophobicContact CG-CD1 4.47Å; R249-I251 HydrophobicContact CG-CG1 4.08Å; R249-L269 PolarHBondContact N-O 3.18Å; R249-L269 PolarHBondContact O-N 3.34Å; R249-D314 WeakPolarHBondContact CD-OD1 3.35Å; R249-D314 IonicContact CZ-OD1 2.74Å; R249-D314 IonicContact NE-OD1 2.83Å; R249-D314 VanDerWaalsContact NH1-CG 3.33Å; R249-D314 IonicContact NH1-OD1 3.12Å; R249-D314 PolarHBondContact NH1-OD1 3.46Å; R249-D314 IonicContact NH1-OD2 3.78Å; R249-D314 PolarHBondContact NH1-OD2 3.47Å; R249-F315 HydrophobicContact CB-CD1 4.23Å; R249-F315 HydrophobicContact CB-CE1 3.84Å; R249-F315 HydrophobicContact CG-CE1 4.12Å; R249-F391 PolarHBondContact NH1-O 3.37Å |
| 250 | L | 90.1 | Very high | 67 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.2 | 173.1 | -180 | 71.6 | 0 | 0 | 0 | 108.8 | Q161 E163 I172 A174 L180 F247 C266 F267 A268 | Q161-L250 PolarHBondContact NE2-O 3.33Å; Q161-L250 PolarHBondContact OE1-O 2.91Å; E163-L250 HydrophobicContact CB-CD2 3.82Å; E163-L250 HydrophobicContact CB-CG 4.29Å; I172-L250 HydrophobicContact CB-CD2 3.87Å; I172-L250 HydrophobicContact CG2-CD2 3.53Å; A174-L250 HydrophobicContact CB-CB 4.34Å; A174-L250 HydrophobicContact CB-CD2 4.27Å; L180-L250 HydrophobicContact CD1-CD1 4.48Å; L180-L250 HydrophobicContact CD2-CD1 4.14Å; L180-L250 HydrophobicContact CD2-CD2 4.21Å; F247-L250 HydrophobicContact CE2-CB 4.05Å; F247-L250 HydrophobicContact CZ-CB 3.83Å; L250-C266 HydrophobicContact CD1-CB 4.43Å; L250-F267 CarbonylContact C-O 3.57Å; L250-F267 WeakPolarHBondContact CA-O 3.46Å; L250-A268 HydrophobicContact CD1-CB 3.82Å |
| 251 | I | 88.7 | Confident | 67.3 | Low | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.138 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.9 | 173 | -52.3 | 179.2 | 0 | 0 | 0 | 108.2 | R249 F267 F315 L317 | R249-I251 HydrophobicContact CG-CD1 4.47Å; R249-I251 HydrophobicContact CG-CG1 4.08Å; I251-F267 PolarHBondContact N-O 3.44Å; I251-F267 PolarHBondContact O-N 3.12Å; I251-F315 HydrophobicContact CB-CE2 4.14Å; I251-F315 HydrophobicContact CB-CZ 3.87Å; I251-F315 HydrophobicContact CD1-CD1 4.41Å; I251-F315 HydrophobicContact CD1-CD2 4.21Å; I251-F315 HydrophobicContact CD1-CE1 4.06Å; I251-F315 HydrophobicContact CD1-CE2 3.84Å; I251-F315 HydrophobicContact CD1-CZ 3.77Å; I251-F315 WeakPolarHBondContact CD1-O 3.2Å; I251-F315 HydrophobicContact CG1-CE1 4.03Å; I251-F315 HydrophobicContact CG1-CE2 4.08Å; I251-F315 HydrophobicContact CG1-CZ 3.6Å; I251-L317 HydrophobicContact CB-CD1 3.77Å; I251-L317 HydrophobicContact CB-CG 4.26Å; I251-L317 HydrophobicContact CD1-CG 4.46Å; I251-L317 HydrophobicContact CG2-CD1 3.48Å; I251-L317 VanDerWaalsContact CG2-CD1 3.48Å; I251-L317 HydrophobicContact CG2-CG 4.01Å |
| 252 | S | 85.3 | Confident | 68.4 | Low | 23 Ų | 23 | 54 Ų | 54 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.3 | 175.2 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | H164 L265 | H164-S252 PolarHBondContact O-OG 3.17Å; S252-L265 CarbonylContact C-O 3.56Å; S252-L265 VanDerWaalsContact CA-O 3.27Å; S252-L265 WeakPolarHBondContact CA-O 3.39Å |
| 253 | C | 79.5 | Confident | 69.4 | Low | 21 Ų | 21 | 54.3 Ų | 54.3 | 14% | 0.142 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 161 | 174 | 69.4 | 0 | 0 | 0 | 0 | 111 | L265 L317 | C253-L265 PolarHBondContact N-O 3.06Å; C253-L265 PolarHBondContact O-N 3.05Å; C253-L265 VanDerWaalsContact O-O 3.1Å; C253-L317 HydrophobicContact CB-CD1 4.33Å |
| 254 | T | 73 | Confident | 70.7 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | trans | -95 | 136.6 | 166.6 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | H166 | H166-T254 HydrophobicContact CB-CG2 3.31Å; H166-T254 WeakPolarHBondContact CD2-CG2 3.11Å; H166-T254 WeakPolarHBondContact ND1-CG2 3.29Å | ||
| 255 | P | 65.1 | Low | 72.1 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.071 | 25% | 0.246 | C | C | . | . | trans | -60.7 | 146.5 | 165.2 | 28 | -28.7 | 0 | 0 | 0 | 109.3 | S257 K263 L265 | P255-S257 VanDerWaalsContact C-N 3.26Å; P255-S257 PolarHBondContact O-N 2.9Å; P255-K263 WeakPolarHBondContact CD-O 3.46Å; P255-L265 HydrophobicContact CB-CD1 4.48Å | ||
| 256 | S | 55.7 | Low | 73.1 | Confident | 44 Ų | 44 | 38 Ų | 38 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | trans | -72.9 | -15.3 | -177.3 | 46.1 | 0 | 0 | 0 | 0 | 114 | A258 D326 | S256-A258 PolarHBondContact O-N 3.16Å; S256-D326 WeakPolarHBondContact OG-CA 3.42Å; S256-D326 PolarHBondContact OG-OD1 3.29Å | ||
| 257 | S | 53.5 | Low | 73.7 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | trans | -67.7 | 126.9 | -169.6 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | P255 S259 D260 S261 D326 | P255-S257 VanDerWaalsContact C-N 3.26Å; P255-S257 PolarHBondContact O-N 2.9Å; S257-S259 PolarHBondContact O-N 3.32Å; S257-S259 VanDerWaalsContact O-N 3.12Å; S257-D260 PolarHBondContact O-N 3.46Å; S257-D260 VanDerWaalsContact O-N 3.17Å; S257-D260 WeakPolarHBondContact OG-CB 3.44Å; S257-D260 PolarHBondContact OG-N 3.48Å; S257-S261 PolarHBondContact O-N 3.05Å; S257-D326 VanDerWaalsContact CA-OD1 3.3Å; S257-D326 WeakPolarHBondContact CA-OD1 3.49Å; S257-D326 VanDerWaalsContact CB-CG 3.46Å; S257-D326 WeakPolarHBondContact CB-OD2 3.4Å; S257-D326 PolarHBondContact N-OD1 3.41Å; S257-D326 VanDerWaalsContact N-OD1 3.14Å | ||
| 258 | A | 49.9 | Very low | 74 | Confident | 101 Ų | 101 | 33.8 Ų | 33.8 | 84% | 0.835 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S256 | S256-A258 PolarHBondContact O-N 3.16Š|
| 259 | S | 50.6 | Low | 74.3 | Confident | 112 Ų | 112 | 31.7 Ų | 31.7 | 78% | 0.783 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -20.6 | 179 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | S257 | S257-S259 PolarHBondContact O-N 3.32Å; S257-S259 VanDerWaalsContact O-N 3.12Å |
| 260 | D | 52.1 | Low | 74.2 | Confident | 32 Ų | 32 | 29 Ų | 29 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | trans | -124 | 22 | -172.9 | -131 | 17.6 | 0 | 0 | 0 | 112.1 | S257 D262 K263 Q357 | S257-D260 PolarHBondContact O-N 3.46Å; S257-D260 VanDerWaalsContact O-N 3.17Å; S257-D260 WeakPolarHBondContact OG-CB 3.44Å; S257-D260 PolarHBondContact OG-N 3.48Å; D260-D262 PolarHBondContact O-N 3.46Å; D260-K263 VanDerWaalsContact CG-NZ 3.3Å; D260-K263 PolarHBondContact O-N 3.25Å; D260-K263 VanDerWaalsContact OD1-CE 3.28Å; D260-K263 WeakPolarHBondContact OD1-CE 3.34Å; D260-K263 IonicContact OD1-NZ 3.4Å; D260-K263 PolarHBondContact OD1-NZ 2.91Å; D260-K263 IonicContact OD2-NZ 3.13Å; D260-K263 PolarHBondContact OD2-NZ 3.14Å; D260-Q357 PolarHBondContact OD2-NE2 3.08Å | ||
| 261 | S | 59.5 | Low | 73.9 | Confident | 62 Ų | 62 | 32.1 Ų | 32.1 | 43% | 0.434 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -13.2 | 176.5 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | S257 K263 Q281 | S257-S261 PolarHBondContact O-N 3.05Å; S261-K263 VanDerWaalsContact C-N 3.31Å; S261-Q281 PolarHBondContact O-NE2 3.21Å |
| 262 | D | 67.6 | Low | 73.7 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.9 | 179.3 | -68.3 | -1.8 | 0 | 0 | 0 | 113.7 | D260 H280 Q281 | D260-D262 PolarHBondContact O-N 3.46Å; D262-H280 CarbonylContact O-C 3.58Å; D262-H280 VanDerWaalsContact O-CA 3.3Å; D262-H280 WeakPolarHBondContact O-CA 3.46Å; D262-Q281 HydrophobicContact CB-CG 4.32Å; D262-Q281 WeakPolarHBondContact O-CG 3.18Å; D262-Q281 PolarHBondContact O-N 2.98Å; D262-Q281 PolarHBondContact OD1-NE2 3.28Å |
| 263 | K | 73.8 | Confident | 73.8 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.6 | 179.5 | -61.9 | 179.6 | -167.5 | 142.1 | 0 | 112 | P255 D260 S261 I279 | P255-K263 WeakPolarHBondContact CD-O 3.46Å; D260-K263 VanDerWaalsContact CG-NZ 3.3Å; D260-K263 PolarHBondContact O-N 3.25Å; D260-K263 VanDerWaalsContact OD1-CE 3.28Å; D260-K263 WeakPolarHBondContact OD1-CE 3.34Å; D260-K263 IonicContact OD1-NZ 3.4Å; D260-K263 PolarHBondContact OD1-NZ 2.91Å; D260-K263 IonicContact OD2-NZ 3.13Å; D260-K263 PolarHBondContact OD2-NZ 3.14Å; S261-K263 VanDerWaalsContact C-N 3.31Å; K263-I279 CarbonylContact C-O 3.56Å; K263-I279 WeakPolarHBondContact CA-O 3.37Å |
| 264 | C | 81.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.3 | 171.7 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | H166 S278 I279 | H166-C264 HydrophobicContact CB-CB 4.28Å; C264-S278 CarbonylContact O-C 3.47Å; C264-S278 WeakPolarHBondContact O-CA 3.36Å; C264-I279 PolarHBondContact N-O 2.98Å; C264-I279 PolarHBondContact O-N 3.1Å |
| 265 | L | 84.7 | Confident | 74.9 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 135.1 | 172.7 | -63 | 177.1 | 0 | 0 | 0 | 109.6 | S252 C253 P255 F267 I276 W277 | S252-L265 CarbonylContact C-O 3.56Å; S252-L265 VanDerWaalsContact CA-O 3.27Å; S252-L265 WeakPolarHBondContact CA-O 3.39Å; C253-L265 PolarHBondContact N-O 3.06Å; C253-L265 PolarHBondContact O-N 3.05Å; C253-L265 VanDerWaalsContact O-O 3.1Å; P255-L265 HydrophobicContact CB-CD1 4.48Å; L265-F267 HydrophobicContact CB-CD2 4.47Å; L265-F267 HydrophobicContact CB-CE2 3.78Å; L265-F267 HydrophobicContact CD1-CE2 4.49Å; L265-I276 HydrophobicContact CD2-CG2 4.49Å; L265-W277 CarbonylContact C-O 3.56Å; L265-W277 VanDerWaalsContact CA-O 3.31Å; L265-W277 WeakPolarHBondContact CA-O 3.4Å |
| 266 | C | 88 | Confident | 76 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.2 | 178.7 | -60 | 0 | 0 | 0 | 0 | 109.2 | I172 L250 W277 | I172-C266 HydrophobicContact CD1-CB 3.92Å; I172-C266 WeakPolarHBondContact CD1-SG 3.2Å; L250-C266 HydrophobicContact CD1-CB 4.43Å; C266-W277 HydrophobicContact CB-CB 4.23Å; C266-W277 PolarHBondContact N-O 3.16Å; C266-W277 PolarHBondContact O-N 3.41Å |
| 267 | F | 90 | Very high | 77.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.6 | -178.1 | -67.2 | -104 | 0 | 0 | 0 | 108.5 | L250 I251 L265 L274 I276 F315 L317 T328 V330 F355 | L250-F267 CarbonylContact C-O 3.57Å; L250-F267 WeakPolarHBondContact CA-O 3.46Å; I251-F267 PolarHBondContact N-O 3.44Å; I251-F267 PolarHBondContact O-N 3.12Å; L265-F267 HydrophobicContact CB-CD2 4.47Å; L265-F267 HydrophobicContact CB-CE2 3.78Å; L265-F267 HydrophobicContact CD1-CE2 4.49Å; F267-L274 HydrophobicContact CB-CD1 4.31Å; F267-L274 HydrophobicContact CD1-CD1 4.43Å; F267-I276 HydrophobicContact CD1-CD1 3.88Å; F267-I276 HydrophobicContact CD1-CG1 3.72Å; F267-I276 HydrophobicContact CD1-CG2 4.39Å; F267-I276 HydrophobicContact CE1-CD1 3.44Å; F267-I276 VanDerWaalsContact CE1-CD1 3.44Å; F267-I276 HydrophobicContact CE1-CG1 3.79Å; F267-I276 HydrophobicContact CE1-CG2 4.15Å; F267-I276 HydrophobicContact CE2-CG2 4.46Å; F267-I276 HydrophobicContact CZ-CD1 4.24Å; F267-I276 HydrophobicContact CZ-CG2 4.17Å; F267-F315 HydrophobicContact CB-CE2 3.64Å; F267-F315 HydrophobicContact CB-CZ 3.77Å; F267-F315 HydrophobicContact CG-CE2 4.43Å; F267-F315 WeakPolarHBondContact O-CZ 3.19Å; F267-L317 HydrophobicContact CB-CD1 4.47Å; F267-L317 HydrophobicContact CD1-CD2 4.33Å; F267-L317 HydrophobicContact CD2-CD1 3.66Å; F267-L317 HydrophobicContact CD2-CD2 4.27Å; F267-L317 HydrophobicContact CE2-CD1 4.15Å; F267-L317 HydrophobicContact CE2-CD2 4.49Å; F267-L317 HydrophobicContact CG-CD1 4.17Å; F267-L317 HydrophobicContact CG-CD2 4.2Å; F267-T328 HydrophobicContact CE2-CG2 4.28Å; F267-T328 HydrophobicContact CZ-CG2 3.97Å; F267-V330 HydrophobicContact CD1-CG2 4.03Å; F267-V330 HydrophobicContact CE1-CG2 3.67Å; F267-V330 HydrophobicContact CZ-CG2 4.38Å; F267-F355 HydrophobicContact CE1-CD2 4.3Å; F267-F355 HydrophobicContact CE1-CE2 4.43Å |
| 268 | A | 90.2 | Very high | 79 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 107.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L180 L250 Y270 D275 | L180-A268 HydrophobicContact CD1-CB 3.85Å; L180-A268 HydrophobicContact CD2-CB 4.42Å; L250-A268 HydrophobicContact CD1-CB 3.82Å; A268-Y270 HydrophobicContact CB-CE2 4.05Å; A268-D275 HydrophobicContact CB-CB 4.31Å; A268-D275 PolarHBondContact N-O 2.89Å; A268-D275 PolarHBondContact O-N 3.25Å |
| 269 | L | 91.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.8 | 176.9 | -177 | 68.2 | 0 | 0 | 0 | 110.3 | I248 R249 L274 A312 F315 L332 | I248-L269 HydrophobicContact CB-CB 4.47Å; I248-L269 HydrophobicContact CB-CD2 4.23Å; I248-L269 HydrophobicContact CB-CG 4.22Å; I248-L269 WeakPolarHBondContact CB-O 3.35Å; I248-L269 HydrophobicContact CD1-CD2 4.22Å; I248-L269 HydrophobicContact CD1-CG 4.23Å; I248-L269 HydrophobicContact CG2-CD2 3.95Å; I248-L269 HydrophobicContact CG2-CG 4.48Å; I248-L269 PolarHBondContact N-O 3.34Å; R249-L269 PolarHBondContact N-O 3.18Å; R249-L269 PolarHBondContact O-N 3.34Å; L269-L274 HydrophobicContact CB-CD1 4.23Å; L269-L274 HydrophobicContact CD1-CB 4.28Å; L269-L274 HydrophobicContact CD1-CD1 4.19Å; L269-A312 HydrophobicContact CD1-CB 3.92Å; L269-A312 HydrophobicContact CD2-CB 4.11Å; L269-A312 HydrophobicContact CG-CB 4.25Å; L269-F315 HydrophobicContact CB-CD1 3.52Å; L269-F315 HydrophobicContact CB-CE1 3.43Å; L269-F315 VanDerWaalsContact CB-CE1 3.43Å; L269-F315 HydrophobicContact CB-CG 4.42Å; L269-F315 HydrophobicContact CB-CZ 4.3Å; L269-F315 HydrophobicContact CD2-CB 4Å; L269-F315 HydrophobicContact CD2-CD1 3.41Å; L269-F315 VanDerWaalsContact CD2-CD1 3.41Å; L269-F315 HydrophobicContact CD2-CE1 4.22Å; L269-F315 HydrophobicContact CD2-CG 4.01Å; L269-F315 HydrophobicContact CG-CD1 4.07Å; L269-F315 HydrophobicContact CG-CE1 4.47Å; L269-L332 HydrophobicContact CD1-CD1 3.68Å; L269-L332 HydrophobicContact CD2-CD1 3.77Å; L269-L332 HydrophobicContact CG-CD1 4.4Å |
| 270 | Y | 87.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 162.8 | 168.9 | -51.8 | -86.3 | 0 | 0 | 0 | 108.7 | G178 R240 F245 V246 F247 A268 N272 Q273 D275 | G178-Y270 PolarHBondContact O-OH 3.35Å; R240-Y270 PolarHBondContact NH1-OH 3.49Å; F245-Y270 HydrophobicContact CD1-CD1 4.42Å; F245-Y270 HydrophobicContact CD1-CG 4.44Å; V246-Y270 CarbonylContact O-C 3.6Å; V246-Y270 VanDerWaalsContact O-CA 3.27Å; V246-Y270 WeakPolarHBondContact O-CA 3.36Å; F247-Y270 HydrophobicContact CB-CD1 4.29Å; F247-Y270 HydrophobicContact CB-CE1 4.41Å; F247-Y270 HydrophobicContact CD2-CD1 4.42Å; F247-Y270 HydrophobicContact CD2-CE1 4.12Å; A268-Y270 HydrophobicContact CB-CE2 4.05Å; Y270-N272 PolarHBondContact O-N 2.91Å; Y270-Q273 CarbonylContact C-O 3.52Å; Y270-Q273 WeakPolarHBondContact CA-O 3.31Å; Y270-Q273 WeakPolarHBondContact CB-O 3.2Å; Y270-Q273 HydrophobicContact CD2-CB 4.48Å; Y270-Q273 WeakPolarHBondContact CD2-O 3.33Å; Y270-Q273 PolarHBondContact N-O 2.97Å; Y270-Q273 PolarHBondContact O-N 2.95Å; Y270-D275 HydrophobicContact CE2-CB 3.98Å |
| 271 | K | 84.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 24.4 Ų | 24.4 | 29% | 0.287 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -39.5 | -178.3 | -165.7 | 176.3 | -176.4 | -174.5 | 0 | 114.8 | V246 I248 E311 A312 | V246-K271 HydrophobicContact CB-CB 4.08Å; V246-K271 HydrophobicContact CB-CD 4.44Å; V246-K271 PolarHBondContact O-N 2.87Å; I248-K271 HydrophobicContact CD1-CB 4.34Å; K271-E311 WeakPolarHBondContact CE-OE2 3.41Å; K271-E311 HydrophobicContact CG-CB 4.07Å; K271-E311 IonicContact NZ-OE1 3.62Å; K271-E311 IonicContact NZ-OE2 3.66Å; K271-E311 PolarHBondContact NZ-OE2 3.42Å; K271-A312 WeakPolarHBondContact O-CB 3.34Å; K271-A312 PolarHBondContact O-N 2.96Å |
| 272 | N | 85 | Confident | 84.5 | Confident | 64 Ų | 64 | 25.4 Ų | 25.4 | 34% | 0.342 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 5.7 | -176.5 | -62.9 | -8 | 0 | 0 | 0 | 113.5 | Y270 T292 V293 | Y270-N272 PolarHBondContact O-N 2.91Å; N272-T292 CarbonylContact O-C 3.55Å; N272-T292 WeakPolarHBondContact O-CA 3.29Å; N272-V293 PolarHBondContact O-N 3.38Å |
| 273 | Q | 86.4 | Confident | 85.3 | Confident | 28 Ų | 28 | 22.4 Ų | 22.4 | 13% | 0.131 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 146.1 | -169.7 | -176.4 | 175.7 | -33.7 | 0 | 0 | 112.5 | Y270 D275 V290 Y291 | Y270-Q273 CarbonylContact C-O 3.52Å; Y270-Q273 WeakPolarHBondContact CA-O 3.31Å; Y270-Q273 WeakPolarHBondContact CB-O 3.2Å; Y270-Q273 HydrophobicContact CD2-CB 4.48Å; Y270-Q273 WeakPolarHBondContact CD2-O 3.33Å; Y270-Q273 PolarHBondContact N-O 2.97Å; Y270-Q273 PolarHBondContact O-N 2.95Å; Q273-D275 PolarHBondContact NE2-OD1 3.37Å; Q273-V290 HydrophobicContact CG-CG1 3.88Å; Q273-Y291 CarbonylContact C-O 3.51Å; Q273-Y291 WeakPolarHBondContact CA-O 3.22Å |
| 274 | L | 88.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116 | 171.7 | 177.5 | 64.3 | 0 | 0 | 0 | 109.2 | F267 L269 I276 Y291 F355 | F267-L274 HydrophobicContact CB-CD1 4.31Å; F267-L274 HydrophobicContact CD1-CD1 4.43Å; L269-L274 HydrophobicContact CB-CD1 4.23Å; L269-L274 HydrophobicContact CD1-CB 4.28Å; L269-L274 HydrophobicContact CD1-CD1 4.19Å; L274-I276 HydrophobicContact CG-CG1 4.48Å; L274-Y291 PolarHBondContact N-O 3.36Å; L274-Y291 PolarHBondContact O-N 3.22Å; L274-F355 HydrophobicContact CD2-CE2 4.49Å; L274-F355 HydrophobicContact CD2-CZ 4.17Å |
| 275 | D | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.1 | 172.7 | -74.2 | 1.2 | 0 | 0 | 0 | 109.5 | R240 A268 Y270 Q273 | R240-D275 IonicContact CZ-OD2 2.84Å; R240-D275 IonicContact NH1-OD2 3.86Å; R240-D275 PolarHBondContact NH1-OD2 3.18Å; R240-D275 VanDerWaalsContact NH1-OD2 3.1Å; R240-D275 IonicContact NH2-OD2 3.05Å; R240-D275 PolarHBondContact NH2-OD2 2.82Å; A268-D275 HydrophobicContact CB-CB 4.31Å; A268-D275 PolarHBondContact N-O 2.89Å; A268-D275 PolarHBondContact O-N 3.25Å; Y270-D275 HydrophobicContact CE2-CB 3.98Å; Q273-D275 PolarHBondContact NE2-OD1 3.37Å |
| 276 | I | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.6 | 173.3 | -51.1 | -179.9 | 0 | 0 | 0 | 108.6 | L265 F267 L274 I287 G288 G289 Y291 F355 L362 | L265-I276 HydrophobicContact CD2-CG2 4.49Å; F267-I276 HydrophobicContact CD1-CD1 3.88Å; F267-I276 HydrophobicContact CD1-CG1 3.72Å; F267-I276 HydrophobicContact CD1-CG2 4.39Å; F267-I276 HydrophobicContact CE1-CD1 3.44Å; F267-I276 VanDerWaalsContact CE1-CD1 3.44Å; F267-I276 HydrophobicContact CE1-CG1 3.79Å; F267-I276 HydrophobicContact CE1-CG2 4.15Å; F267-I276 HydrophobicContact CE2-CG2 4.46Å; F267-I276 HydrophobicContact CZ-CD1 4.24Å; F267-I276 HydrophobicContact CZ-CG2 4.17Å; L274-I276 HydrophobicContact CG-CG1 4.48Å; I276-I287 WeakPolarHBondContact O-CG1 3.23Å; I276-G288 PolarHBondContact O-N 3.47Å; I276-G289 PolarHBondContact N-O 2.96Å; I276-G289 PolarHBondContact O-N 3.13Å; I276-Y291 HydrophobicContact CD1-CD2 4.26Å; I276-Y291 HydrophobicContact CD1-CE2 3.73Å; I276-Y291 HydrophobicContact CG1-CE2 4.28Å; I276-F355 HydrophobicContact CD1-CD1 3.79Å; I276-F355 HydrophobicContact CD1-CE1 3.48Å; I276-F355 VanDerWaalsContact CD1-CE1 3.48Å; I276-F355 HydrophobicContact CD1-CE2 4.47Å; I276-F355 HydrophobicContact CD1-CG 4.41Å; I276-F355 HydrophobicContact CD1-CZ 3.86Å; I276-L362 HydrophobicContact CB-CD1 4.15Å; I276-L362 HydrophobicContact CD1-CD1 4.1Å; I276-L362 HydrophobicContact CG2-CD1 3.68Å |
| 277 | W | 86.7 | Confident | 85.5 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.4 | 176.6 | -62.4 | 81.9 | 0 | 0 | 0 | 109.8 | L180 L197 L265 C266 Y285 I287 | L180-W277 HydrophobicContact CD1-CG 4.46Å; L197-W277 HydrophobicContact CB-CE3 4.44Å; L197-W277 HydrophobicContact CB-CH2 4.31Å; L197-W277 HydrophobicContact CB-CZ3 4.19Å; L265-W277 CarbonylContact C-O 3.56Å; L265-W277 VanDerWaalsContact CA-O 3.31Å; L265-W277 WeakPolarHBondContact CA-O 3.4Å; C266-W277 HydrophobicContact CB-CB 4.23Å; C266-W277 PolarHBondContact N-O 3.16Å; C266-W277 PolarHBondContact O-N 3.41Å; W277-Y285 HydrophobicContact CE3-CD2 4.36Å; W277-Y285 HydrophobicContact CZ3-CD2 4.1Å; W277-I287 HydrophobicContact CD2-CB 4.49Å; W277-I287 HydrophobicContact CD2-CG1 4.25Å; W277-I287 HydrophobicContact CE3-CB 4.13Å; W277-I287 HydrophobicContact CE3-CG1 4.38Å; W277-I287 HydrophobicContact CH2-CB 4.42Å; W277-I287 HydrophobicContact CH2-CD1 4.04Å; W277-I287 HydrophobicContact CH2-CG1 4.48Å; W277-I287 HydrophobicContact CZ2-CD1 3.76Å; W277-I287 HydrophobicContact CZ2-CG1 4.34Å; W277-I287 HydrophobicContact CZ3-CB 4.09Å; W277-I287 HydrophobicContact CZ3-CG1 4.5Å |
| 278 | S | 84.7 | Confident | 84.8 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.8 | 168.1 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | C264 Y285 Q286 | C264-S278 CarbonylContact O-C 3.47Å; C264-S278 WeakPolarHBondContact O-CA 3.36Å; S278-Y285 WeakPolarHBondContact O-CA 3.41Å; S278-Q286 PolarHBondContact N-O 2.96Å; S278-Q286 PolarHBondContact O-N 3.35Å; S278-Q286 WeakPolarHBondContact OG-CG 3.27Å; S278-Q286 PolarHBondContact OG-NE2 3.34Å; S278-Q286 PolarHBondContact OG-O 3.32Å |
| 279 | I | 85.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.3 | -175.7 | -58.8 | 176.9 | 0 | 0 | 0 | 107.8 | I165 I172 L182 L197 K263 C264 N284 | I165-I279 HydrophobicContact CD1-CG2 4.05Å; I172-I279 HydrophobicContact CD1-CD1 3.38Å; I172-I279 HydrophobicContact CG1-CD1 4.12Å; L182-I279 HydrophobicContact CD1-CD1 4.44Å; L197-I279 HydrophobicContact CD1-CD1 4.31Å; K263-I279 CarbonylContact C-O 3.56Å; K263-I279 WeakPolarHBondContact CA-O 3.37Å; C264-I279 PolarHBondContact N-O 2.98Å; C264-I279 PolarHBondContact O-N 3.1Å; I279-N284 CarbonylContact C-O 3.53Å; I279-N284 WeakPolarHBondContact CA-O 3.38Å |
| 280 | H | 83.3 | Confident | 83.9 | Confident | 62 Ų | 62 | 37.9 Ų | 37.9 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 159.7 | 179.3 | -166.7 | -66.5 | 0 | 0 | 0 | 110.9 | D262 N282 L283 N284 | D262-H280 CarbonylContact O-C 3.58Å; D262-H280 VanDerWaalsContact O-CA 3.3Å; D262-H280 WeakPolarHBondContact O-CA 3.46Å; H280-N282 VanDerWaalsContact CB-OD1 3.28Å; H280-N282 WeakPolarHBondContact CB-OD1 3.49Å; H280-N282 PolarHBondContact ND1-N 3.34Å; H280-N282 PolarHBondContact ND1-OD1 2.82Å; H280-N282 PolarHBondContact O-N 3.09Å; H280-L283 WeakPolarHBondContact O-CA 3.44Å; H280-L283 PolarHBondContact O-N 2.84Å; H280-N284 PolarHBondContact N-O 3.14Å |
| 281 | Q | 78.3 | Confident | 83.9 | Confident | 87 Ų | 87 | 39.2 Ų | 39.2 | 41% | 0.407 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.5 | 174.7 | -78.4 | 178.1 | 15.7 | 0 | 0 | 114.7 | V167 R186 S261 D262 L283 | V167-Q281 HydrophobicContact CG2-CG 4.42Å; R186-Q281 PolarHBondContact NH1-O 2.96Å; S261-Q281 PolarHBondContact O-NE2 3.21Å; D262-Q281 HydrophobicContact CB-CG 4.32Å; D262-Q281 WeakPolarHBondContact O-CG 3.18Å; D262-Q281 PolarHBondContact O-N 2.98Å; D262-Q281 PolarHBondContact OD1-NE2 3.28Å; Q281-L283 PolarHBondContact O-N 3.09Å |
| 282 | N | 81.2 | Confident | 84 | Confident | 83 Ų | 83 | 39 Ų | 39 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 6.4 | 175.8 | 64.9 | 6.2 | 0 | 0 | 0 | 112.9 | H280 N284 | H280-N282 VanDerWaalsContact CB-OD1 3.28Å; H280-N282 WeakPolarHBondContact CB-OD1 3.49Å; H280-N282 PolarHBondContact ND1-N 3.34Å; H280-N282 PolarHBondContact ND1-OD1 2.82Å; H280-N282 PolarHBondContact O-N 3.09Å; N282-N284 PolarHBondContact ND2-ND2 3.31Å; N282-N284 PolarHBondContact O-N 3.34Å; N282-N284 WeakPolarHBondContact OD1-CB 3.38Å; N282-N284 VanDerWaalsContact OD1-CG 3.27Å; N282-N284 PolarHBondContact OD1-N 3.45Å |
| 283 | L | 82.9 | Confident | 84 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 65.3 | 18.7 | -176.6 | -54.9 | -173.5 | 0 | 0 | 0 | 114.9 | I165 V167 A170 L182 D184 R195 H280 Q281 | I165-L283 HydrophobicContact CD1-CD2 3.98Å; V167-L283 HydrophobicContact CB-CD2 4.27Å; V167-L283 HydrophobicContact CG1-CD2 4.1Å; V167-L283 HydrophobicContact CG2-CD2 4.29Å; A170-L283 HydrophobicContact CB-CD2 3.83Å; L182-L283 HydrophobicContact CD1-CD2 4.46Å; L182-L283 HydrophobicContact CD2-CB 3.92Å; L182-L283 HydrophobicContact CD2-CD2 4.34Å; L182-L283 HydrophobicContact CD2-CG 4.5Å; D184-L283 HydrophobicContact CB-CD1 3.59Å; D184-L283 VanDerWaalsContact CG-CD1 3.45Å; D184-L283 WeakPolarHBondContact OD2-CD1 3.3Å; R195-L283 PolarHBondContact NH1-O 2.83Å; H280-L283 WeakPolarHBondContact O-CA 3.44Å; H280-L283 PolarHBondContact O-N 2.84Å; Q281-L283 PolarHBondContact O-N 3.09Å |
| 284 | N | 83.3 | Confident | 83.9 | Confident | 100 Ų | 100 | 36.1 Ų | 36.1 | 54% | 0.535 | 20% | 0.197 | S | C | . | . | trans | -74 | 140.2 | 163.6 | -66.6 | -9.5 | 0 | 0 | 0 | 109 | I279 H280 N282 | I279-N284 CarbonylContact C-O 3.53Å; I279-N284 WeakPolarHBondContact CA-O 3.38Å; H280-N284 PolarHBondContact N-O 3.14Å; N282-N284 PolarHBondContact ND2-ND2 3.31Å; N282-N284 PolarHBondContact O-N 3.34Å; N282-N284 WeakPolarHBondContact OD1-CB 3.38Å; N282-N284 VanDerWaalsContact OD1-CG 3.27Å; N282-N284 PolarHBondContact OD1-N 3.45Å | ||
| 285 | Y | 84.3 | Confident | 83.6 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.7 | -175.5 | 61.8 | -83.3 | 0 | 0 | 0 | 110.7 | R195 L197 W277 S278 | R195-Y285 VanDerWaalsContact CD-CE1 3.41Å; R195-Y285 HydrophobicContact CG-CE1 4.28Å; L197-Y285 HydrophobicContact CB-CD2 4.48Å; L197-Y285 HydrophobicContact CD2-CD1 3.68Å; L197-Y285 HydrophobicContact CD2-CD2 3.65Å; L197-Y285 HydrophobicContact CD2-CE1 4.11Å; L197-Y285 HydrophobicContact CD2-CE2 4.05Å; L197-Y285 HydrophobicContact CD2-CG 3.44Å; L197-Y285 VanDerWaalsContact CD2-CG 3.44Å; W277-Y285 HydrophobicContact CE3-CD2 4.36Å; W277-Y285 HydrophobicContact CZ3-CD2 4.1Å; S278-Y285 WeakPolarHBondContact O-CA 3.41Å |
| 286 | Q | 83.6 | Confident | 83.4 | Confident | 104 Ų | 104 | 38.2 Ų | 38.2 | 49% | 0.486 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 148.6 | 172.6 | 64 | -176.1 | 4.8 | 0 | 0 | 108.8 | S278 | S278-Q286 PolarHBondContact N-O 2.96Å; S278-Q286 PolarHBondContact O-N 3.35Å; S278-Q286 WeakPolarHBondContact OG-CG 3.27Å; S278-Q286 PolarHBondContact OG-NE2 3.34Å; S278-Q286 PolarHBondContact OG-O 3.32Å |
| 287 | I | 82 | Confident | 83.2 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.5 | 172.5 | -156.4 | 161 | 0 | 0 | 0 | 108.4 | N199 I276 W277 V290 | N199-I287 VanDerWaalsContact OD1-CG2 3.26Å; N199-I287 WeakPolarHBondContact OD1-CG2 3.35Å; I276-I287 WeakPolarHBondContact O-CG1 3.23Å; W277-I287 HydrophobicContact CD2-CB 4.49Å; W277-I287 HydrophobicContact CD2-CG1 4.25Å; W277-I287 HydrophobicContact CE3-CB 4.13Å; W277-I287 HydrophobicContact CE3-CG1 4.38Å; W277-I287 HydrophobicContact CH2-CB 4.42Å; W277-I287 HydrophobicContact CH2-CD1 4.04Å; W277-I287 HydrophobicContact CH2-CG1 4.48Å; W277-I287 HydrophobicContact CZ2-CD1 3.76Å; W277-I287 HydrophobicContact CZ2-CG1 4.34Å; W277-I287 HydrophobicContact CZ3-CB 4.09Å; W277-I287 HydrophobicContact CZ3-CG1 4.5Å; I287-V290 HydrophobicContact CD1-CG2 3.39Å; I287-V290 HydrophobicContact CG1-CG2 4.08Å |
| 288 | G | 74.3 | Confident | 83 | Confident | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -27.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I276 | I276-G288 PolarHBondContact O-N 3.47Å |
| 289 | G | 79.5 | Confident | 82.7 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 155.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I276 | I276-G289 PolarHBondContact N-O 2.96Å; I276-G289 PolarHBondContact O-N 3.13Å |
| 290 | V | 84.5 | Confident | 82.2 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.9 | 176 | 173 | 0 | 0 | 0 | 0 | 108 | Q273 I287 | Q273-V290 HydrophobicContact CG-CG1 3.88Å; I287-V290 HydrophobicContact CD1-CG2 3.39Å; I287-V290 HydrophobicContact CG1-CG2 4.08Å |
| 291 | Y | 86.4 | Confident | 81.5 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.8 | -175.5 | -52.5 | -83.2 | 0 | 0 | 0 | 109.7 | Q273 L274 I276 L296 F355 L362 F364 | Q273-Y291 CarbonylContact C-O 3.51Å; Q273-Y291 WeakPolarHBondContact CA-O 3.22Å; L274-Y291 PolarHBondContact N-O 3.36Å; L274-Y291 PolarHBondContact O-N 3.22Å; I276-Y291 HydrophobicContact CD1-CD2 4.26Å; I276-Y291 HydrophobicContact CD1-CE2 3.73Å; I276-Y291 HydrophobicContact CG1-CE2 4.28Å; Y291-L296 HydrophobicContact CG-CD2 4.37Å; Y291-F355 HydrophobicContact CD2-CE1 4.16Å; Y291-F355 HydrophobicContact CD2-CZ 4.45Å; Y291-F355 AromaticContact CE2-CE1 3.69Å; Y291-F355 HydrophobicContact CE2-CE1 3.69Å; Y291-F355 HydrophobicContact CE2-CZ 4.4Å; Y291-F355 AromaticContact CZ-CE1 3.98Å; Y291-L362 PolarHBondContact OH-O 3.09Å; Y291-F364 AromaticContact CD1-CD1 3.71Å; Y291-F364 HydrophobicContact CD1-CD1 3.71Å; Y291-F364 AromaticContact CD1-CE1 3.43Å; Y291-F364 HydrophobicContact CD1-CE1 3.43Å; Y291-F364 VanDerWaalsContact CD1-CE1 3.43Å; Y291-F364 HydrophobicContact CD1-CZ 4.35Å; Y291-F364 AromaticContact CE1-CD1 3.34Å; Y291-F364 HydrophobicContact CE1-CD1 3.34Å; Y291-F364 AromaticContact CE1-CE1 3.42Å; Y291-F364 HydrophobicContact CE1-CE1 3.42Å; Y291-F364 VanDerWaalsContact CE1-CE1 3.42Å |
| 292 | T | 86.8 | Confident | 80.9 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 147.4 | 172.9 | 61.7 | 0 | 0 | 0 | 0 | 109.6 | N272 A294 S295 L296 | N272-T292 CarbonylContact O-C 3.55Å; N272-T292 WeakPolarHBondContact O-CA 3.29Å; T292-A294 PolarHBondContact O-N 2.9Å; T292-S295 PolarHBondContact N-OG 3.34Å; T292-S295 VanDerWaalsContact N-OG 3.08Å; T292-S295 PolarHBondContact O-N 3.03Å; T292-S295 PolarHBondContact O-OG 3.29Å; T292-S295 WeakPolarHBondContact OG1-CB 3.32Å; T292-S295 PolarHBondContact OG1-N 2.94Å; T292-S295 VanDerWaalsContact OG1-N 3.14Å; T292-S295 PolarHBondContact OG1-OG 3.16Å; T292-S295 VanDerWaalsContact OG1-OG 3.08Å; T292-L296 WeakPolarHBondContact O-CG 3.3Å; T292-L296 PolarHBondContact O-N 3.03Å |
| 293 | V | 85.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | N272 S295 L296 I297 A312 L334 | N272-V293 PolarHBondContact O-N 3.38Å; V293-S295 PolarHBondContact O-N 3.46Å; V293-L296 PolarHBondContact O-N 3.07Å; V293-I297 HydrophobicContact CG1-CD1 3.73Å; V293-I297 HydrophobicContact CG1-CG1 4.41Å; V293-I297 WeakPolarHBondContact O-CG1 3.39Å; V293-I297 PolarHBondContact O-N 3.13Å; V293-A312 HydrophobicContact CG2-CB 3.99Å; V293-L334 HydrophobicContact CG1-CD2 3.76Å |
| 294 | A | 84.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T292 L296 I297 D298 | T292-A294 PolarHBondContact O-N 2.9Å; A294-L296 VanDerWaalsContact C-N 3.3Å; A294-L296 PolarHBondContact O-N 3.29Å; A294-I297 PolarHBondContact O-N 2.94Å; A294-D298 WeakPolarHBondContact O-CB 3.25Å; A294-D298 PolarHBondContact O-N 3.4Å |
| 295 | S | 82.9 | Confident | 78.2 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -32.7 | 178.2 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | T292 V293 S299 | T292-S295 PolarHBondContact N-OG 3.34Å; T292-S295 VanDerWaalsContact N-OG 3.08Å; T292-S295 PolarHBondContact O-N 3.03Å; T292-S295 PolarHBondContact O-OG 3.29Å; T292-S295 WeakPolarHBondContact OG1-CB 3.32Å; T292-S295 PolarHBondContact OG1-N 2.94Å; T292-S295 VanDerWaalsContact OG1-N 3.14Å; T292-S295 PolarHBondContact OG1-OG 3.16Å; T292-S295 VanDerWaalsContact OG1-OG 3.08Å; V293-S295 PolarHBondContact O-N 3.46Å; S295-S299 PolarHBondContact O-N 3.28Å |
| 296 | L | 83.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 174 | -65.2 | 172.3 | 0 | 0 | 0 | 109.7 | Y291 T292 V293 A294 S299 L332 L351 I353 F364 I366 | Y291-L296 HydrophobicContact CG-CD2 4.37Å; T292-L296 WeakPolarHBondContact O-CG 3.3Å; T292-L296 PolarHBondContact O-N 3.03Å; V293-L296 PolarHBondContact O-N 3.07Å; A294-L296 VanDerWaalsContact C-N 3.3Å; A294-L296 PolarHBondContact O-N 3.29Å; L296-S299 PolarHBondContact O-N 3.15Å; L296-S299 PolarHBondContact O-OG 3.36Å; L296-L332 HydrophobicContact CD1-CD2 3.99Å; L296-L351 HydrophobicContact CB-CD2 4.14Å; L296-I353 HydrophobicContact CD1-CD1 3.94Å; L296-I353 HydrophobicContact CD2-CD1 4.21Å; L296-F364 HydrophobicContact CD2-CD2 4.04Å; L296-F364 HydrophobicContact CD2-CE1 4.32Å; L296-F364 HydrophobicContact CD2-CE2 3.66Å; L296-F364 HydrophobicContact CD2-CZ 3.81Å; L296-I366 WeakPolarHBondContact O-CD1 3.49Å |
| 297 | I | 83.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 178.9 | -70.2 | 168.6 | 0 | 0 | 0 | 112.1 | V293 A294 S299 T300 F303 W310 L334 | V293-I297 HydrophobicContact CG1-CD1 3.73Å; V293-I297 HydrophobicContact CG1-CG1 4.41Å; V293-I297 WeakPolarHBondContact O-CG1 3.39Å; V293-I297 PolarHBondContact O-N 3.13Å; A294-I297 PolarHBondContact O-N 2.94Å; I297-S299 PolarHBondContact O-N 3.16Å; I297-S299 VanDerWaalsContact O-N 3.14Å; I297-T300 PolarHBondContact O-N 3.44Å; I297-T300 PolarHBondContact O-OG1 2.89Å; I297-F303 HydrophobicContact CB-CD2 4.4Å; I297-F303 HydrophobicContact CG1-CD2 4.47Å; I297-F303 HydrophobicContact CG1-CE1 4.44Å; I297-F303 HydrophobicContact CG1-CE2 4.3Å; I297-F303 HydrophobicContact CG1-CZ 4.29Å; I297-F303 HydrophobicContact CG2-CB 3.53Å; I297-F303 HydrophobicContact CG2-CD1 4.06Å; I297-F303 HydrophobicContact CG2-CD2 3.61Å; I297-F303 HydrophobicContact CG2-CE2 4.26Å; I297-F303 HydrophobicContact CG2-CG 3.48Å; I297-F303 VanDerWaalsContact CG2-CG 3.48Å; I297-W310 HydrophobicContact CD1-CB 3.4Å; I297-W310 HydrophobicContact CD1-CG 3.82Å; I297-L334 HydrophobicContact CD1-CD1 4.07Å; I297-L334 HydrophobicContact CG1-CD1 4.06Å |
| 298 | D | 82.3 | Confident | 76 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -22.8 | -178.5 | -70.1 | -22.5 | 0 | 0 | 0 | 112.6 | A294 T300 S307 | A294-D298 WeakPolarHBondContact O-CB 3.25Å; A294-D298 PolarHBondContact O-N 3.4Å; D298-T300 PolarHBondContact O-N 3.04Å; D298-S307 WeakPolarHBondContact OD1-CB 3.39Å; D298-S307 PolarHBondContact OD1-OG 3Å |
| 299 | S | 78.4 | Confident | 76.2 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 1.8 | 173.8 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | S295 L296 I297 I366 | S295-S299 PolarHBondContact O-N 3.28Å; L296-S299 PolarHBondContact O-N 3.15Å; L296-S299 PolarHBondContact O-OG 3.36Å; I297-S299 PolarHBondContact O-N 3.16Å; I297-S299 VanDerWaalsContact O-N 3.14Å; S299-I366 WeakPolarHBondContact OG-CD1 3.21Å |
| 300 | T | 75.7 | Confident | 76.4 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -123.5 | 146.5 | 176 | 77.4 | 0 | 0 | 0 | 0 | 111 | I297 D298 A302 F303 L351 I366 T369 | I297-T300 PolarHBondContact O-N 3.44Å; I297-T300 PolarHBondContact O-OG1 2.89Å; D298-T300 PolarHBondContact O-N 3.04Å; T300-A302 VanDerWaalsContact C-N 3.26Å; T300-A302 PolarHBondContact O-N 2.96Å; T300-F303 WeakPolarHBondContact OG1-CD2 3.46Å; T300-L351 HydrophobicContact CG2-CD1 4.25Å; T300-I366 HydrophobicContact CG2-CB 3.82Å; T300-I366 HydrophobicContact CG2-CD1 3.17Å; T300-I366 HydrophobicContact CG2-CG1 4.06Å; T300-I366 HydrophobicContact CG2-CG2 3.53Å; T300-T369 HydrophobicContact CG2-CG2 4.09Å |
| 301 | M | 68.4 | Low | 76.5 | Confident | 188 Ų | 188 | 60.8 Ų | 60.8 | 93% | 0.926 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.5 | 174.4 | -63.6 | -68.7 | 153.7 | 0 | 0 | 113.1 | F303 | M301-F303 PolarHBondContact O-N 3.33Š|
| 302 | A | 66.7 | Low | 76.6 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | T300 R349 T369 | T300-A302 VanDerWaalsContact C-N 3.26Å; T300-A302 PolarHBondContact O-N 2.96Å; A302-R349 PolarHBondContact O-NH1 3.47Å; A302-T369 HydrophobicContact CB-CG2 3.92Å; A302-T369 WeakPolarHBondContact CB-OG1 3.37Å |
| 303 | F | 66.6 | Low | 76.6 | Confident | 16 Ų | 16 | 58 Ų | 58 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -108.1 | 102.4 | 178.8 | -58.7 | -102 | 0 | 0 | 0 | 107.2 | I297 T300 M301 N305 W310 L334 R349 T369 | I297-F303 HydrophobicContact CB-CD2 4.4Å; I297-F303 HydrophobicContact CG1-CD2 4.47Å; I297-F303 HydrophobicContact CG1-CE1 4.44Å; I297-F303 HydrophobicContact CG1-CE2 4.3Å; I297-F303 HydrophobicContact CG1-CZ 4.29Å; I297-F303 HydrophobicContact CG2-CB 3.53Å; I297-F303 HydrophobicContact CG2-CD1 4.06Å; I297-F303 HydrophobicContact CG2-CD2 3.61Å; I297-F303 HydrophobicContact CG2-CE2 4.26Å; I297-F303 HydrophobicContact CG2-CG 3.48Å; I297-F303 VanDerWaalsContact CG2-CG 3.48Å; T300-F303 WeakPolarHBondContact OG1-CD2 3.46Å; M301-F303 PolarHBondContact O-N 3.33Å; F303-N305 PolarHBondContact O-N 2.69Å; F303-W310 AromaticContact CD1-CD1 3.98Å; F303-W310 HydrophobicContact CD1-CD2 4.02Å; F303-W310 AromaticContact CD1-CE2 3.51Å; F303-W310 HydrophobicContact CD1-CG 4.31Å; F303-W310 AromaticContact CD1-CZ2 3.83Å; F303-W310 HydrophobicContact CD1-CZ2 3.83Å; F303-W310 AromaticContact CD1-NE1 3.51Å; F303-W310 AromaticContact CE1-CD2 3.86Å; F303-W310 HydrophobicContact CE1-CD2 3.86Å; F303-W310 AromaticContact CE1-CE2 3.75Å; F303-W310 HydrophobicContact CE1-CE3 4.2Å; F303-W310 HydrophobicContact CE1-CG 4.34Å; F303-W310 HydrophobicContact CE1-CH2 4.31Å; F303-W310 AromaticContact CE1-CZ2 3.98Å; F303-W310 HydrophobicContact CE1-CZ2 3.98Å; F303-W310 HydrophobicContact CE1-CZ3 4.41Å; F303-L334 HydrophobicContact CE1-CD1 4.27Å; F303-L334 HydrophobicContact CZ-CD1 3.98Å; F303-R349 VanDerWaalsContact CD1-NH1 3.34Å; F303-R349 HydrophobicContact CE1-CB 4.33Å; F303-R349 VanDerWaalsContact CE1-CD 3.4Å; F303-R349 HydrophobicContact CE1-CG 4.45Å; F303-R349 HydrophobicContact CZ-CB 4.41Å; F303-T369 HydrophobicContact CE2-CG2 3.85Å |
| 304 | E | 63.8 | Low | 76.9 | Confident | 181 Ų | 181 | 58.1 Ų | 58.1 | 85% | 0.846 | 32% | 0.318 | S | S | * | . | trans | -60.8 | 90.4 | -177.6 | -64.3 | -176.9 | 160.8 | 0 | 0 | 111.2 | D306 | E304-D306 WeakPolarHBondContact O-CB 3.24Å; E304-D306 PolarHBondContact O-N 3.03Å | ||
| 305 | N | 58.4 | Low | 77.3 | Confident | 172 Ų | 172 | 56.7 Ų | 56.7 | 92% | 0.92 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 49.2 | 14.6 | 174.7 | -68.2 | -22.4 | 0 | 0 | 0 | 117.8 | F303 | F303-N305 PolarHBondContact O-N 2.69Š|
| 306 | D | 69.2 | Low | 77.7 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | trans | -111.9 | 38.1 | -170.1 | -140.8 | 25.8 | 0 | 0 | 0 | 112.5 | E304 L308 N309 R336 | E304-D306 WeakPolarHBondContact O-CB 3.24Å; E304-D306 PolarHBondContact O-N 3.03Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.24Å; D306-N309 PolarHBondContact O-N 2.81Å; D306-N309 PolarHBondContact OD1-ND2 3.24Å; D306-N309 PolarHBondContact OD2-ND2 3.16Å; D306-R336 IonicContact OD2-CZ 3.86Å; D306-R336 IonicContact OD2-NE 2.72Å; D306-R336 IonicContact OD2-NH2 3.87Å; D306-R336 PolarHBondContact OD2-NH2 3.49Å | ||
| 307 | S | 66.1 | Low | 77.8 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 16% | 0.161 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -67.2 | -22.7 | -169.6 | 59.5 | 0 | 0 | 0 | 0 | 115.2 | D298 N309 | D298-S307 WeakPolarHBondContact OD1-CB 3.39Å; D298-S307 PolarHBondContact OD1-OG 3Å; S307-N309 VanDerWaalsContact C-N 3.29Å; S307-N309 PolarHBondContact O-N 3Å |
| 308 | L | 68.5 | Low | 77.5 | Confident | 154 Ų | 154 | 58.6 Ų | 58.6 | 81% | 0.806 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -77.5 | -12.3 | 177.2 | -71.1 | 165.6 | 0 | 0 | 0 | 113.6 | D306 | D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.24Å |
| 309 | N | 78.7 | Confident | 76.6 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -97.3 | 16.4 | -173.6 | -72.1 | -13 | 0 | 0 | 0 | 113.9 | D306 S307 R336 T337 | D306-N309 PolarHBondContact O-N 2.81Å; D306-N309 PolarHBondContact OD1-ND2 3.24Å; D306-N309 PolarHBondContact OD2-ND2 3.16Å; S307-N309 VanDerWaalsContact C-N 3.29Å; S307-N309 PolarHBondContact O-N 3Å; N309-R336 CarbonylContact O-C 3.55Å; N309-R336 VanDerWaalsContact O-CA 3.32Å; N309-R336 WeakPolarHBondContact O-CA 3.42Å; N309-T337 VanDerWaalsContact C-OG1 3.3Å; N309-T337 WeakPolarHBondContact CA-OG1 3.45Å; N309-T337 PolarHBondContact O-N 2.99Å; N309-T337 PolarHBondContact O-OG1 3.31Å; N309-T337 VanDerWaalsContact O-OG1 3.09Å |
| 310 | W | 84.3 | Confident | 75.5 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.5 | -178.5 | -66.6 | 87.3 | 0 | 0 | 0 | 110.9 | I297 F303 L334 R336 E347 R349 | I297-W310 HydrophobicContact CD1-CB 3.4Å; I297-W310 HydrophobicContact CD1-CG 3.82Å; F303-W310 AromaticContact CD1-CD1 3.98Å; F303-W310 HydrophobicContact CD1-CD2 4.02Å; F303-W310 AromaticContact CD1-CE2 3.51Å; F303-W310 HydrophobicContact CD1-CG 4.31Å; F303-W310 AromaticContact CD1-CZ2 3.83Å; F303-W310 HydrophobicContact CD1-CZ2 3.83Å; F303-W310 AromaticContact CD1-NE1 3.51Å; F303-W310 AromaticContact CE1-CD2 3.86Å; F303-W310 HydrophobicContact CE1-CD2 3.86Å; F303-W310 AromaticContact CE1-CE2 3.75Å; F303-W310 HydrophobicContact CE1-CE3 4.2Å; F303-W310 HydrophobicContact CE1-CG 4.34Å; F303-W310 HydrophobicContact CE1-CH2 4.31Å; F303-W310 AromaticContact CE1-CZ2 3.98Å; F303-W310 HydrophobicContact CE1-CZ2 3.98Å; F303-W310 HydrophobicContact CE1-CZ3 4.41Å; W310-L334 HydrophobicContact CE3-CB 3.82Å; W310-L334 HydrophobicContact CZ3-CB 4.42Å; W310-R336 HydrophobicContact CD2-CB 4.5Å; W310-R336 HydrophobicContact CE3-CB 4.3Å; W310-R336 HydrophobicContact CH2-CB 4.15Å; W310-R336 HydrophobicContact CZ2-CB 4.33Å; W310-R336 HydrophobicContact CZ2-CG 4.39Å; W310-R336 HydrophobicContact CZ3-CB 4.13Å; W310-E347 HydrophobicContact CH2-CB 4.22Å; W310-E347 HydrophobicContact CH2-CG 4.04Å; W310-R349 HydrophobicContact CH2-CB 4.26Å; W310-R349 VanDerWaalsContact CH2-CD 3.42Å; W310-R349 HydrophobicContact CH2-CG 3.63Å; W310-R349 HydrophobicContact CZ3-CB 3.95Å; W310-R349 HydrophobicContact CZ3-CG 3.82Å |
| 311 | E | 86.3 | Confident | 74.1 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147 | 174.1 | 63.3 | -176.1 | -141.5 | 0 | 0 | 110.5 | K271 L334 S335 T337 | K271-E311 WeakPolarHBondContact CE-OE2 3.41Å; K271-E311 HydrophobicContact CG-CB 4.07Å; K271-E311 IonicContact NZ-OE1 3.62Å; K271-E311 IonicContact NZ-OE2 3.66Å; K271-E311 PolarHBondContact NZ-OE2 3.42Å; E311-L334 WeakPolarHBondContact O-CA 3.45Å; E311-S335 WeakPolarHBondContact CG-OG 3.1Å; E311-S335 PolarHBondContact N-O 3.38Å; E311-S335 PolarHBondContact O-N 3.24Å; E311-T337 HydrophobicContact CB-CG2 3.89Å; E311-T337 HydrophobicContact CG-CG2 3.61Å; E311-T337 VanDerWaalsContact OE2-CG2 3.22Å; E311-T337 WeakPolarHBondContact OE2-CG2 3.45Å |
| 312 | A | 88.9 | Confident | 72.9 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I248 L269 K271 V293 L332 L334 | I248-A312 HydrophobicContact CD1-CB 3.92Å; I248-A312 WeakPolarHBondContact CD1-O 3.32Å; L269-A312 HydrophobicContact CD1-CB 3.92Å; L269-A312 HydrophobicContact CD2-CB 4.11Å; L269-A312 HydrophobicContact CG-CB 4.25Å; K271-A312 WeakPolarHBondContact O-CB 3.34Å; K271-A312 PolarHBondContact O-N 2.96Å; V293-A312 HydrophobicContact CG2-CB 3.99Å; A312-L332 HydrophobicContact CB-CD1 4.07Å; A312-L334 HydrophobicContact CB-CD2 4.27Å |
| 313 | V | 87.8 | Confident | 71.8 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -51.6 | 179.5 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | I248 L333 S335 I389 | I248-V313 WeakPolarHBondContact CG2-O 3.4Å; V313-L333 HydrophobicContact CB-CD2 4.13Å; V313-L333 HydrophobicContact CB-CG 4.26Å; V313-L333 HydrophobicContact CG1-CD2 4.05Å; V313-L333 PolarHBondContact N-O 3.04Å; V313-S335 WeakPolarHBondContact CG2-OG 3.48Å; V313-I389 HydrophobicContact CG1-CB 3.97Å; V313-I389 HydrophobicContact CG1-CG2 4.46Å; V313-I389 WeakPolarHBondContact CG1-O 3.48Å |
| 314 | D | 91.3 | Very high | 70.8 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.032 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 172.7 | 179 | -160.9 | 1.3 | 0 | 0 | 0 | 109.4 | R249 L333 Q390 F391 | R249-D314 WeakPolarHBondContact CD-OD1 3.35Å; R249-D314 IonicContact CZ-OD1 2.74Å; R249-D314 IonicContact NE-OD1 2.83Å; R249-D314 VanDerWaalsContact NH1-CG 3.33Å; R249-D314 IonicContact NH1-OD1 3.12Å; R249-D314 PolarHBondContact NH1-OD1 3.46Å; R249-D314 IonicContact NH1-OD2 3.78Å; R249-D314 PolarHBondContact NH1-OD2 3.47Å; D314-L333 WeakPolarHBondContact O-CB 3.44Å; D314-L333 PolarHBondContact O-N 3.3Å; D314-Q390 WeakPolarHBondContact OD2-CA 3.46Å; D314-F391 HydrophobicContact CB-CB 4.19Å; D314-F391 PolarHBondContact OD2-N 2.97Å |
| 315 | F | 92.9 | Very high | 70 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 160.3 | 173.1 | 77.5 | -65.5 | 0 | 0 | 0 | 112.4 | R249 I251 F267 L269 L317 V330 Y331 L332 | R249-F315 HydrophobicContact CB-CD1 4.23Å; R249-F315 HydrophobicContact CB-CE1 3.84Å; R249-F315 HydrophobicContact CG-CE1 4.12Å; I251-F315 HydrophobicContact CB-CE2 4.14Å; I251-F315 HydrophobicContact CB-CZ 3.87Å; I251-F315 HydrophobicContact CD1-CD1 4.41Å; I251-F315 HydrophobicContact CD1-CD2 4.21Å; I251-F315 HydrophobicContact CD1-CE1 4.06Å; I251-F315 HydrophobicContact CD1-CE2 3.84Å; I251-F315 HydrophobicContact CD1-CZ 3.77Å; I251-F315 WeakPolarHBondContact CD1-O 3.2Å; I251-F315 HydrophobicContact CG1-CE1 4.03Å; I251-F315 HydrophobicContact CG1-CE2 4.08Å; I251-F315 HydrophobicContact CG1-CZ 3.6Å; F267-F315 HydrophobicContact CB-CE2 3.64Å; F267-F315 HydrophobicContact CB-CZ 3.77Å; F267-F315 HydrophobicContact CG-CE2 4.43Å; F267-F315 WeakPolarHBondContact O-CZ 3.19Å; L269-F315 HydrophobicContact CB-CD1 3.52Å; L269-F315 HydrophobicContact CB-CE1 3.43Å; L269-F315 VanDerWaalsContact CB-CE1 3.43Å; L269-F315 HydrophobicContact CB-CG 4.42Å; L269-F315 HydrophobicContact CB-CZ 4.3Å; L269-F315 HydrophobicContact CD2-CB 4Å; L269-F315 HydrophobicContact CD2-CD1 3.41Å; L269-F315 VanDerWaalsContact CD2-CD1 3.41Å; L269-F315 HydrophobicContact CD2-CE1 4.22Å; L269-F315 HydrophobicContact CD2-CG 4.01Å; L269-F315 HydrophobicContact CG-CD1 4.07Å; L269-F315 HydrophobicContact CG-CE1 4.47Å; F315-L317 HydrophobicContact CD2-CD2 4.08Å; F315-L317 HydrophobicContact CD2-CG 4.39Å; F315-L317 HydrophobicContact CE2-CD1 4.44Å; F315-L317 HydrophobicContact CE2-CD2 3.88Å; F315-L317 HydrophobicContact CE2-CG 4Å; F315-V330 HydrophobicContact CD2-CG1 4.1Å; F315-Y331 CarbonylContact C-O 3.55Å; F315-Y331 WeakPolarHBondContact CA-O 3.32Å; F315-Y331 WeakPolarHBondContact CB-O 3.2Å; F315-L332 HydrophobicContact CB-CD1 4.07Å |
| 316 | A | 90.1 | Very high | 69.9 | Low | 6 Ų | 6 | 53.8 Ų | 53.8 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y331 F391 L393 | A316-Y331 PolarHBondContact N-O 2.91Å; A316-Y331 PolarHBondContact O-N 3.09Å; A316-F391 HydrophobicContact CB-CD1 3.74Å; A316-F391 HydrophobicContact CB-CE1 3.75Å; A316-L393 HydrophobicContact CB-CB 4.26Å; A316-L393 HydrophobicContact CB-CD1 3.59Å; A316-L393 HydrophobicContact CB-CG 3.65Å |
| 317 | L | 85.5 | Confident | 69.8 | Low | 27 Ų | 27 | 53.7 Ų | 53.7 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.4 | -179.2 | -62.9 | -178.4 | 0 | 0 | 0 | 110.9 | I251 C253 F267 F315 V330 | I251-L317 HydrophobicContact CB-CD1 3.77Å; I251-L317 HydrophobicContact CB-CG 4.26Å; I251-L317 HydrophobicContact CD1-CG 4.46Å; I251-L317 HydrophobicContact CG2-CD1 3.48Å; I251-L317 VanDerWaalsContact CG2-CD1 3.48Å; I251-L317 HydrophobicContact CG2-CG 4.01Å; C253-L317 HydrophobicContact CB-CD1 4.33Å; F267-L317 HydrophobicContact CB-CD1 4.47Å; F267-L317 HydrophobicContact CD1-CD2 4.33Å; F267-L317 HydrophobicContact CD2-CD1 3.66Å; F267-L317 HydrophobicContact CD2-CD2 4.27Å; F267-L317 HydrophobicContact CE2-CD1 4.15Å; F267-L317 HydrophobicContact CE2-CD2 4.49Å; F267-L317 HydrophobicContact CG-CD1 4.17Å; F267-L317 HydrophobicContact CG-CD2 4.2Å; F315-L317 HydrophobicContact CD2-CD2 4.08Å; F315-L317 HydrophobicContact CD2-CG 4.39Å; F315-L317 HydrophobicContact CE2-CD1 4.44Å; F315-L317 HydrophobicContact CE2-CD2 3.88Å; F315-L317 HydrophobicContact CE2-CG 4Å; L317-V330 HydrophobicContact CD2-CB 4.15Å; L317-V330 HydrophobicContact CD2-CG1 4.34Å; L317-V330 HydrophobicContact CD2-CG2 3.41Å; L317-V330 VanDerWaalsContact CD2-CG2 3.41Å |
| 318 | Q | 78.2 | Confident | 70.3 | Confident | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 104 | 167.4 | -168.3 | 176.2 | 22.3 | 0 | 0 | 109.5 | N320 V329 Y331 N396 | Q318-N320 PolarHBondContact O-N 2.8Å; Q318-V329 HydrophobicContact CB-CB 4.4Å; Q318-V329 PolarHBondContact N-O 3.21Å; Q318-V329 PolarHBondContact O-N 3.15Å; Q318-Y331 HydrophobicContact CB-CE2 3.93Å; Q318-Y331 PolarHBondContact OE1-OH 3.11Å; Q318-N396 WeakPolarHBondContact CG-OD1 3.42Å |
| 319 | S | 62.5 | Low | 71 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 107 | 164.5 | 168 | 0 | 0 | 0 | 0 | 110.7 | R321 N396 | S319-R321 PolarHBondContact O-N 3.09Å; S319-N396 WeakPolarHBondContact CA-ND2 3.43Å; S319-N396 PolarHBondContact N-ND2 2.73Å; S319-N396 PolarHBondContact O-ND2 3.39Å |
| 320 | N | 56.4 | Low | 71.5 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | trans | -76.8 | 111.4 | 176.8 | -164.4 | -10.6 | 0 | 0 | 0 | 109.6 | Q318 Y322 T323 | Q318-N320 PolarHBondContact O-N 2.8Å; N320-Y322 PolarHBondContact OD1-N 3.38Å; N320-T323 VanDerWaalsContact CG-OG1 3.28Å; N320-T323 WeakPolarHBondContact ND2-CG2 3.21Å; N320-T323 PolarHBondContact ND2-OG1 2.94Å; N320-T323 VanDerWaalsContact ND2-OG1 3.07Å | ||
| 321 | R | 46.5 | Very low | 71.8 | Confident | 184 Ų | 184 | 44.5 Ų | 44.5 | 69% | 0.694 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -87.4 | -10.9 | 178.3 | -64.6 | -169 | -168.9 | -175.7 | 4.4 | 113.8 | S319 | S319-R321 PolarHBondContact O-N 3.09Š|
| 322 | Y | 41.5 | Very low | 72 | Confident | 129 Ų | 129 | 42 Ų | 42 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -110.3 | -14.1 | -164.9 | -60.1 | -73.8 | 0 | 0 | 0 | 114 | N320 P399 | N320-Y322 PolarHBondContact OD1-N 3.38Å; Y322-P399 HydrophobicContact CE2-CG 4.38Å |
| 323 | T | 45 | Very low | 72.2 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -89.1 | 135.7 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | N320 S325 | N320-T323 VanDerWaalsContact CG-OG1 3.28Å; N320-T323 WeakPolarHBondContact ND2-CG2 3.21Å; N320-T323 PolarHBondContact ND2-OG1 2.94Å; N320-T323 VanDerWaalsContact ND2-OG1 3.07Å; T323-S325 PolarHBondContact O-N 3.2Å; T323-S325 PolarHBondContact OG1-O 3.07Å; T323-S325 PolarHBondContact OG1-OG 2.8Å |
| 324 | S | 44.9 | Very low | 72.3 | Confident | 136 Ų | 136 | 40.6 Ų | 40.6 | 95% | 0.951 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -57.3 | -13.6 | 176.2 | 58.9 | 0 | 0 | 0 | 0 | 114 | ||
| 325 | S | 47.8 | Very low | 72.1 | Confident | 47 Ų | 47 | 41.3 Ų | 41.3 | 33% | 0.329 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -88.3 | 119.4 | 173.5 | 58.4 | 0 | 0 | 0 | 0 | 111 | T323 Q327 | T323-S325 PolarHBondContact O-N 3.2Å; T323-S325 PolarHBondContact OG1-O 3.07Å; T323-S325 PolarHBondContact OG1-OG 2.8Å; S325-Q327 PolarHBondContact O-N 3.45Å |
| 326 | D | 54.9 | Low | 71.6 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | trans | -66.7 | 73.5 | 173.8 | -72.2 | -44.8 | 0 | 0 | 0 | 112.2 | S256 S257 | S256-D326 WeakPolarHBondContact OG-CA 3.42Å; S256-D326 PolarHBondContact OG-OD1 3.29Å; S257-D326 VanDerWaalsContact CA-OD1 3.3Å; S257-D326 WeakPolarHBondContact CA-OD1 3.49Å; S257-D326 VanDerWaalsContact CB-CG 3.46Å; S257-D326 WeakPolarHBondContact CB-OD2 3.4Å; S257-D326 PolarHBondContact N-OD1 3.41Å; S257-D326 VanDerWaalsContact N-OD1 3.14Å | ||
| 327 | Q | 67 | Low | 70.8 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.9 | -177.2 | -54.5 | -162.7 | -24.6 | 0 | 0 | 111 | S325 N356 | S325-Q327 PolarHBondContact O-N 3.45Å; Q327-N356 VanDerWaalsContact CD-OD1 3.26Å; Q327-N356 WeakPolarHBondContact CG-OD1 3.38Å; Q327-N356 PolarHBondContact NE2-ND2 3.4Å; Q327-N356 PolarHBondContact NE2-OD1 3.09Å; Q327-N356 VanDerWaalsContact NE2-OD1 3.08Å |
| 328 | T | 76.8 | Confident | 69.9 | Low | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.7 | 166.8 | -59 | 0 | 0 | 0 | 0 | 108.2 | F267 F355 | F267-T328 HydrophobicContact CE2-CG2 4.28Å; F267-T328 HydrophobicContact CZ-CG2 3.97Å; T328-F355 PolarHBondContact N-O 2.81Å; T328-F355 PolarHBondContact O-N 3.4Å |
| 329 | V | 83.9 | Confident | 68.8 | Low | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.9 | 178.4 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | Q318 Y331 T352 I353 K354 | Q318-V329 HydrophobicContact CB-CB 4.4Å; Q318-V329 PolarHBondContact N-O 3.21Å; Q318-V329 PolarHBondContact O-N 3.15Å; V329-Y331 HydrophobicContact CB-CE2 4.29Å; V329-Y331 HydrophobicContact CG1-CD2 4.26Å; V329-Y331 HydrophobicContact CG1-CE1 4.48Å; V329-Y331 HydrophobicContact CG1-CE2 3.7Å; V329-T352 HydrophobicContact CG1-CG2 3.63Å; V329-I353 WeakPolarHBondContact CA-O 3.38Å; V329-K354 HydrophobicContact CG2-CG 4.22Å |
| 330 | V | 88.3 | Confident | 68.4 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.8 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | F267 F315 L317 I353 F355 | F267-V330 HydrophobicContact CD1-CG2 4.03Å; F267-V330 HydrophobicContact CE1-CG2 3.67Å; F267-V330 HydrophobicContact CZ-CG2 4.38Å; F315-V330 HydrophobicContact CD2-CG1 4.1Å; L317-V330 HydrophobicContact CD2-CB 4.15Å; L317-V330 HydrophobicContact CD2-CG1 4.34Å; L317-V330 HydrophobicContact CD2-CG2 3.41Å; L317-V330 VanDerWaalsContact CD2-CG2 3.41Å; V330-I353 HydrophobicContact CB-CB 4.29Å; V330-I353 HydrophobicContact CG1-CD1 4.47Å; V330-I353 PolarHBondContact N-O 3.45Å; V330-I353 PolarHBondContact O-N 3.33Å; V330-F355 HydrophobicContact CB-CD2 4.18Å; V330-F355 HydrophobicContact CB-CE2 3.88Å; V330-F355 HydrophobicContact CG2-CD2 3.51Å; V330-F355 HydrophobicContact CG2-CE2 3.46Å; V330-F355 VanDerWaalsContact CG2-CE2 3.46Å |
| 331 | Y | 90.8 | Very high | 68.2 | Low | 18 Ų | 18 | 62.2 Ų | 62.2 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 105.6 | 172.5 | -66.6 | -86.3 | 0 | 0 | 0 | 108.8 | F315 A316 Q318 V329 L350 L351 T352 L393 L405 V422 | F315-Y331 CarbonylContact C-O 3.55Å; F315-Y331 WeakPolarHBondContact CA-O 3.32Å; F315-Y331 WeakPolarHBondContact CB-O 3.2Å; A316-Y331 PolarHBondContact N-O 2.91Å; A316-Y331 PolarHBondContact O-N 3.09Å; Q318-Y331 HydrophobicContact CB-CE2 3.93Å; Q318-Y331 PolarHBondContact OE1-OH 3.11Å; V329-Y331 HydrophobicContact CB-CE2 4.29Å; V329-Y331 HydrophobicContact CG1-CD2 4.26Å; V329-Y331 HydrophobicContact CG1-CE1 4.48Å; V329-Y331 HydrophobicContact CG1-CE2 3.7Å; Y331-L350 HydrophobicContact CD1-CD2 4.32Å; Y331-L351 CarbonylContact C-O 3.58Å; Y331-L351 WeakPolarHBondContact CA-O 3.5Å; Y331-T352 HydrophobicContact CD1-CG2 4.1Å; Y331-T352 WeakPolarHBondContact CD1-OG1 3.36Å; Y331-T352 HydrophobicContact CE1-CG2 3.58Å; Y331-T352 VanDerWaalsContact CE1-OG1 3.3Å; Y331-T352 WeakPolarHBondContact CE1-OG1 3.42Å; Y331-L393 HydrophobicContact CD2-CD1 3.3Å; Y331-L393 HydrophobicContact CE2-CD1 3.8Å; Y331-L393 HydrophobicContact CG-CD1 3.96Å; Y331-L405 HydrophobicContact CE1-CD2 4.36Å; Y331-L405 HydrophobicContact CE2-CD2 3.95Å; Y331-L405 WeakPolarHBondContact OH-CD2 3.27Å; Y331-V422 HydrophobicContact CD1-CG1 3.55Å; Y331-V422 HydrophobicContact CE1-CG1 3.23Å; Y331-V422 HydrophobicContact CG-CG1 4.49Å |
| 332 | L | 92 | Very high | 68.2 | Low | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.4 | -176.1 | 177.2 | 65.5 | 0 | 0 | 0 | 110.2 | L269 L296 A312 F315 L334 L351 I353 | L269-L332 HydrophobicContact CD1-CD1 3.68Å; L269-L332 HydrophobicContact CD2-CD1 3.77Å; L269-L332 HydrophobicContact CG-CD1 4.4Å; L296-L332 HydrophobicContact CD1-CD2 3.99Å; A312-L332 HydrophobicContact CB-CD1 4.07Å; F315-L332 HydrophobicContact CB-CD1 4.07Å; L332-L334 HydrophobicContact CD1-CD2 4.48Å; L332-L334 HydrophobicContact CD2-CD2 3.81Å; L332-L334 HydrophobicContact CD2-CG 4.49Å; L332-L334 HydrophobicContact CG-CD2 3.81Å; L332-L334 HydrophobicContact CG-CG 4.29Å; L332-L351 HydrophobicContact CB-CB 4.26Å; L332-L351 HydrophobicContact CD2-CD2 4.32Å; L332-L351 PolarHBondContact N-O 3.25Å; L332-L351 PolarHBondContact O-N 3.29Å; L332-I353 HydrophobicContact CB-CD1 4.3Å; L332-I353 HydrophobicContact CD2-CD1 4.32Å |
| 333 | L | 92.8 | Very high | 68.6 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.6 | 176.2 | -176.1 | 70.3 | 0 | 0 | 0 | 109.9 | V313 D314 L348 L350 I372 I389 F391 L409 | V313-L333 HydrophobicContact CB-CD2 4.13Å; V313-L333 HydrophobicContact CB-CG 4.26Å; V313-L333 HydrophobicContact CG1-CD2 4.05Å; V313-L333 PolarHBondContact N-O 3.04Å; D314-L333 WeakPolarHBondContact O-CB 3.44Å; D314-L333 PolarHBondContact O-N 3.3Å; L333-L348 HydrophobicContact CD1-CB 4.42Å; L333-L350 HydrophobicContact CB-CD1 4.3Å; L333-L350 HydrophobicContact CD1-CD1 4.37Å; L333-I372 HydrophobicContact CD1-CD1 4.22Å; L333-I389 HydrophobicContact CD2-CG2 4.12Å; L333-F391 HydrophobicContact CD2-CB 4.3Å; L333-L409 HydrophobicContact CD1-CD2 4.2Å; L333-L409 HydrophobicContact CD2-CD2 3.56Å |
| 334 | L | 90.1 | Very high | 68.8 | Low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.3 | -178.7 | -57 | 175.3 | 0 | 0 | 0 | 110.3 | V293 I297 F303 W310 E311 A312 L332 L348 R349 L351 | V293-L334 HydrophobicContact CG1-CD2 3.76Å; I297-L334 HydrophobicContact CD1-CD1 4.07Å; I297-L334 HydrophobicContact CG1-CD1 4.06Å; F303-L334 HydrophobicContact CE1-CD1 4.27Å; F303-L334 HydrophobicContact CZ-CD1 3.98Å; W310-L334 HydrophobicContact CE3-CB 3.82Å; W310-L334 HydrophobicContact CZ3-CB 4.42Å; E311-L334 WeakPolarHBondContact O-CA 3.45Å; A312-L334 HydrophobicContact CB-CD2 4.27Å; L332-L334 HydrophobicContact CD1-CD2 4.48Å; L332-L334 HydrophobicContact CD2-CD2 3.81Å; L332-L334 HydrophobicContact CD2-CG 4.49Å; L332-L334 HydrophobicContact CG-CD2 3.81Å; L332-L334 HydrophobicContact CG-CG 4.29Å; L334-L348 WeakPolarHBondContact O-CA 3.13Å; L334-R349 PolarHBondContact N-O 3.12Å; L334-R349 PolarHBondContact O-N 3.17Å; L334-L351 HydrophobicContact CD1-CB 4.45Å |
| 335 | S | 86.4 | Confident | 69.4 | Low | 20 Ų | 20 | 57.9 Ų | 57.9 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.9 | 170.1 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | E311 V313 | E311-S335 WeakPolarHBondContact CG-OG 3.1Å; E311-S335 PolarHBondContact N-O 3.38Å; E311-S335 PolarHBondContact O-N 3.24Å; V313-S335 WeakPolarHBondContact CG2-OG 3.48Å |
| 336 | R | 82.6 | Confident | 70.3 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 26% | 0.26 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 136 | 175.3 | -162.2 | 174.1 | -174.1 | 171 | -0.4 | 111.6 | D306 N309 W310 E347 | D306-R336 IonicContact OD2-CZ 3.86Å; D306-R336 IonicContact OD2-NE 2.72Å; D306-R336 IonicContact OD2-NH2 3.87Å; D306-R336 PolarHBondContact OD2-NH2 3.49Å; N309-R336 CarbonylContact O-C 3.55Å; N309-R336 VanDerWaalsContact O-CA 3.32Å; N309-R336 WeakPolarHBondContact O-CA 3.42Å; W310-R336 HydrophobicContact CD2-CB 4.5Å; W310-R336 HydrophobicContact CE3-CB 4.3Å; W310-R336 HydrophobicContact CH2-CB 4.15Å; W310-R336 HydrophobicContact CZ2-CB 4.33Å; W310-R336 HydrophobicContact CZ2-CG 4.39Å; W310-R336 HydrophobicContact CZ3-CB 4.13Å; R336-E347 HydrophobicContact CB-CB 4.43Å; R336-E347 PolarHBondContact N-O 3.48Å; R336-E347 IonicContact NH1-OE2 3.79Å |
| 337 | T | 73 | Confident | 71.5 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | trans | -90.8 | -28.9 | -174.6 | 57 | 0 | 0 | 0 | 0 | 114.3 | N309 E311 Q339 | N309-T337 VanDerWaalsContact C-OG1 3.3Å; N309-T337 WeakPolarHBondContact CA-OG1 3.45Å; N309-T337 PolarHBondContact O-N 2.99Å; N309-T337 PolarHBondContact O-OG1 3.31Å; N309-T337 VanDerWaalsContact O-OG1 3.09Å; E311-T337 HydrophobicContact CB-CG2 3.89Å; E311-T337 HydrophobicContact CG-CG2 3.61Å; E311-T337 VanDerWaalsContact OE2-CG2 3.22Å; E311-T337 WeakPolarHBondContact OE2-CG2 3.45Å; T337-Q339 PolarHBondContact O-N 3.24Å | ||
| 338 | D | 66.6 | Low | 72.5 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | trans | -77.6 | 108.5 | -176.3 | -164.6 | 0.4 | 0 | 0 | 0 | 111 | S340 | D338-S340 PolarHBondContact OD1-N 3.45Å; D338-S340 PolarHBondContact OD1-OG 2.96Å | ||
| 339 | Q | 55.4 | Low | 73 | Confident | 157 Ų | 157 | 57.7 Ų | 57.7 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | trans | -93.1 | -7.6 | 174.5 | -65.9 | -174.8 | 21.3 | 0 | 0 | 112.6 | T337 | T337-Q339 PolarHBondContact O-N 3.24Š| ||
| 340 | S | 53.8 | Low | 73.3 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 69% | 0.685 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -93.8 | -22.5 | -159.8 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | D338 | D338-S340 PolarHBondContact OD1-N 3.45Å; D338-S340 PolarHBondContact OD1-OG 2.96Å |
| 341 | Q | 51.2 | Low | 73.4 | Confident | 159 Ų | 159 | 57.2 Ų | 57.2 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -113.9 | -12.1 | -169.1 | -60.3 | -161.6 | 11 | 0 | 0 | 115.8 | ||
| 342 | L | 48.1 | Very low | 73.3 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | trans | -125.3 | 117.4 | -178.4 | -74.1 | 155.1 | 0 | 0 | 0 | 109.3 | S344 | L342-S344 WeakPolarHBondContact CB-OG 3.48Å; L342-S344 PolarHBondContact O-N 3.41Å | ||
| 343 | S | 48.5 | Very low | 73.1 | Confident | 143 Ų | 143 | 56.6 Ų | 56.6 | 100% | 1 | 31% | 0.313 | S | S | * | . | trans | -64.2 | 6.8 | 170.3 | -48.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 344 | S | 49 | Very low | 72.7 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -90.1 | 138.7 | 177.9 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | L342 | L342-S344 WeakPolarHBondContact CB-OG 3.48Å; L342-S344 PolarHBondContact O-N 3.41Å |
| 345 | S | 58.2 | Low | 72.3 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 58% | 0.58 | 33% | 0.325 | S | S | * | . | trans | -27.9 | 142.3 | 167.8 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | E347 | S345-E347 PolarHBondContact O-N 2.93Š| ||
| 346 | K | 67.5 | Low | 71.6 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | trans | -43.5 | 138.7 | 165.3 | -72.4 | 168.9 | -175.3 | 144.7 | 0 | 109.6 | Y374 D378 | K346-Y374 HydrophobicContact CB-CD1 4.25Å; K346-Y374 HydrophobicContact CB-CD2 3.64Å; K346-Y374 HydrophobicContact CB-CE1 4.45Å; K346-Y374 HydrophobicContact CB-CE2 3.92Å; K346-Y374 HydrophobicContact CB-CG 3.84Å; K346-Y374 HydrophobicContact CD-CD2 4.36Å; K346-Y374 HydrophobicContact CD-CE1 4.09Å; K346-Y374 HydrophobicContact CD-CE2 3.76Å; K346-Y374 WeakPolarHBondContact O-CB 3.25Å; K346-D378 IonicContact NZ-OD1 3.68Å; K346-D378 PolarHBondContact NZ-OD1 3.44Å | ||
| 347 | E | 79.2 | Confident | 70.8 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132 | -179.8 | -166.5 | -177.9 | 169.6 | 0 | 0 | 109.3 | W310 R336 S345 R349 | W310-E347 HydrophobicContact CH2-CB 4.22Å; W310-E347 HydrophobicContact CH2-CG 4.04Å; R336-E347 HydrophobicContact CB-CB 4.43Å; R336-E347 PolarHBondContact N-O 3.48Å; R336-E347 IonicContact NH1-OE2 3.79Å; S345-E347 PolarHBondContact O-N 2.93Å; E347-R349 IonicContact OE1-CZ 3.51Å; E347-R349 IonicContact OE1-NE 2.89Å; E347-R349 PolarHBondContact OE1-NE 3.33Å; E347-R349 IonicContact OE1-NH2 2.74Å; E347-R349 PolarHBondContact OE1-NH2 2.95Å |
| 348 | L | 88 | Confident | 69.7 | Low | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.5 | 170.2 | -67.9 | 172 | 0 | 0 | 0 | 109.4 | L333 L334 I372 Y374 | L333-L348 HydrophobicContact CD1-CB 4.42Å; L334-L348 WeakPolarHBondContact O-CA 3.13Å; L348-I372 HydrophobicContact CB-CB 4.09Å; L348-I372 PolarHBondContact N-O 3.14Å; L348-I372 PolarHBondContact O-N 3.43Å; L348-Y374 HydrophobicContact CD1-CD2 3.86Å; L348-Y374 HydrophobicContact CD2-CD2 4.48Å; L348-Y374 HydrophobicContact CG-CD2 3.91Å |
| 349 | R | 87.7 | Confident | 69.2 | Low | 50 Ų | 50 | 70 Ų | 70 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.7 | 172.3 | -72.7 | -173.2 | -179.4 | -175.5 | -1 | 111.1 | A302 F303 W310 L334 E347 V370 | A302-R349 PolarHBondContact O-NH1 3.47Å; F303-R349 VanDerWaalsContact CD1-NH1 3.34Å; F303-R349 HydrophobicContact CE1-CB 4.33Å; F303-R349 VanDerWaalsContact CE1-CD 3.4Å; F303-R349 HydrophobicContact CE1-CG 4.45Å; F303-R349 HydrophobicContact CZ-CB 4.41Å; W310-R349 HydrophobicContact CH2-CB 4.26Å; W310-R349 VanDerWaalsContact CH2-CD 3.42Å; W310-R349 HydrophobicContact CH2-CG 3.63Å; W310-R349 HydrophobicContact CZ3-CB 3.95Å; W310-R349 HydrophobicContact CZ3-CG 3.82Å; L334-R349 PolarHBondContact N-O 3.12Å; L334-R349 PolarHBondContact O-N 3.17Å; E347-R349 IonicContact OE1-CZ 3.51Å; E347-R349 IonicContact OE1-NE 2.89Å; E347-R349 PolarHBondContact OE1-NE 3.33Å; E347-R349 IonicContact OE1-NH2 2.74Å; E347-R349 PolarHBondContact OE1-NH2 2.95Å; R349-V370 CarbonylContact C-O 3.37Å; R349-V370 VanDerWaalsContact CA-O 3.27Å; R349-V370 WeakPolarHBondContact CA-O 3.49Å |
| 350 | L | 90.8 | Very high | 69.1 | Low | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.4 | 174.5 | -168.5 | 66.4 | 0 | 0 | 0 | 109.5 | Y331 L333 V370 I372 F391 V422 | Y331-L350 HydrophobicContact CD1-CD2 4.32Å; L333-L350 HydrophobicContact CB-CD1 4.3Å; L333-L350 HydrophobicContact CD1-CD1 4.37Å; L350-V370 PolarHBondContact N-O 3.42Å; L350-V370 PolarHBondContact O-N 3.14Å; L350-I372 HydrophobicContact CB-CD1 3.74Å; L350-I372 HydrophobicContact CD2-CD1 4.44Å; L350-F391 HydrophobicContact CD1-CD1 4.38Å; L350-F391 HydrophobicContact CD1-CE1 3.86Å; L350-F391 HydrophobicContact CD1-CZ 4.02Å; L350-F391 HydrophobicContact CD2-CZ 4.01Å; L350-V422 HydrophobicContact CD2-CB 4.45Å; L350-V422 HydrophobicContact CD2-CG1 3.81Å |
| 351 | L | 90 | Very high | 69.3 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.5 | 179 | -174.6 | 70.2 | 0 | 0 | 0 | 109.5 | L296 T300 Y331 L332 L334 I353 I366 T369 | L296-L351 HydrophobicContact CB-CD2 4.14Å; T300-L351 HydrophobicContact CG2-CD1 4.25Å; Y331-L351 CarbonylContact C-O 3.58Å; Y331-L351 WeakPolarHBondContact CA-O 3.5Å; L332-L351 HydrophobicContact CB-CB 4.26Å; L332-L351 HydrophobicContact CD2-CD2 4.32Å; L332-L351 PolarHBondContact N-O 3.25Å; L332-L351 PolarHBondContact O-N 3.29Å; L334-L351 HydrophobicContact CD1-CB 4.45Å; L351-I353 HydrophobicContact CD2-CD1 3.74Å; L351-I353 HydrophobicContact CD2-CG1 3.76Å; L351-I353 HydrophobicContact CG-CD1 4.24Å; L351-I353 HydrophobicContact CG-CG1 3.75Å; L351-I366 HydrophobicContact CD1-CD1 4.14Å; L351-I366 HydrophobicContact CD1-CG1 4.37Å; L351-I366 HydrophobicContact CD1-CG2 3.45Å; L351-I366 VanDerWaalsContact CD1-CG2 3.45Å; L351-I366 HydrophobicContact CD2-CD1 4.18Å; L351-I366 HydrophobicContact CG-CG2 4.32Å; L351-T369 HydrophobicContact CD1-CG2 3.38Å |
| 352 | T | 88.4 | Confident | 70 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.4 | 175 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | V329 Y331 D367 N368 | V329-T352 HydrophobicContact CG1-CG2 3.63Å; Y331-T352 HydrophobicContact CD1-CG2 4.1Å; Y331-T352 WeakPolarHBondContact CD1-OG1 3.36Å; Y331-T352 HydrophobicContact CE1-CG2 3.58Å; Y331-T352 VanDerWaalsContact CE1-OG1 3.3Å; Y331-T352 WeakPolarHBondContact CE1-OG1 3.42Å; T352-D367 HydrophobicContact CG2-CB 4.05Å; T352-D367 PolarHBondContact O-N 2.68Å; T352-N368 PolarHBondContact N-O 3.24Å |
| 353 | I | 87.8 | Confident | 71 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.9 | -176.3 | -44.8 | 169.2 | 0 | 0 | 0 | 109 | L296 V329 V330 L332 L351 F355 F364 I366 | L296-I353 HydrophobicContact CD1-CD1 3.94Å; L296-I353 HydrophobicContact CD2-CD1 4.21Å; V329-I353 WeakPolarHBondContact CA-O 3.38Å; V330-I353 HydrophobicContact CB-CB 4.29Å; V330-I353 HydrophobicContact CG1-CD1 4.47Å; V330-I353 PolarHBondContact N-O 3.45Å; V330-I353 PolarHBondContact O-N 3.33Å; L332-I353 HydrophobicContact CB-CD1 4.3Å; L332-I353 HydrophobicContact CD2-CD1 4.32Å; L351-I353 HydrophobicContact CD2-CD1 3.74Å; L351-I353 HydrophobicContact CD2-CG1 3.76Å; L351-I353 HydrophobicContact CG-CD1 4.24Å; L351-I353 HydrophobicContact CG-CG1 3.75Å; I353-F355 HydrophobicContact CB-CD2 4.48Å; I353-F355 HydrophobicContact CB-CE2 3.9Å; I353-F355 HydrophobicContact CG2-CD2 4.01Å; I353-F355 HydrophobicContact CG2-CE2 3.42Å; I353-F355 VanDerWaalsContact CG2-CE2 3.42Å; I353-F355 HydrophobicContact CG2-CZ 3.75Å; I353-F364 HydrophobicContact CG2-CB 3.85Å; I353-F364 HydrophobicContact CG2-CD2 3.99Å; I353-F364 HydrophobicContact CG2-CG 4.27Å; I353-I366 HydrophobicContact CG1-CG1 4.42Å |
| 354 | K | 84.4 | Confident | 72.6 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.4 | 173.8 | -70.5 | 175.9 | 173.9 | 164.8 | 0 | 109.3 | V329 F364 V365 D367 | V329-K354 HydrophobicContact CG2-CG 4.22Å; K354-F364 CarbonylContact O-C 3.58Å; K354-F364 VanDerWaalsContact O-CA 3.25Å; K354-F364 WeakPolarHBondContact O-CA 3.1Å; K354-V365 PolarHBondContact N-O 3.33Å; K354-V365 PolarHBondContact O-N 3.36Å; K354-D367 HydrophobicContact CD-CB 4.01Å; K354-D367 WeakPolarHBondContact CE-OD1 3.31Å; K354-D367 WeakPolarHBondContact CE-OD2 3.49Å; K354-D367 HydrophobicContact CG-CB 4.23Å; K354-D367 IonicContact NZ-OD1 2.76Å; K354-D367 PolarHBondContact NZ-OD1 3.36Å; K354-D367 IonicContact NZ-OD2 3.1Å; K354-D367 PolarHBondContact NZ-OD2 2.91Å |
| 355 | F | 80.8 | Confident | 73.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.4 | 173.1 | -73 | -87.4 | 0 | 0 | 0 | 110.2 | F267 L274 I276 Y291 T328 V330 I353 F364 | F267-F355 HydrophobicContact CE1-CD2 4.3Å; F267-F355 HydrophobicContact CE1-CE2 4.43Å; L274-F355 HydrophobicContact CD2-CE2 4.49Å; L274-F355 HydrophobicContact CD2-CZ 4.17Å; I276-F355 HydrophobicContact CD1-CD1 3.79Å; I276-F355 HydrophobicContact CD1-CE1 3.48Å; I276-F355 VanDerWaalsContact CD1-CE1 3.48Å; I276-F355 HydrophobicContact CD1-CE2 4.47Å; I276-F355 HydrophobicContact CD1-CG 4.41Å; I276-F355 HydrophobicContact CD1-CZ 3.86Å; Y291-F355 HydrophobicContact CD2-CE1 4.16Å; Y291-F355 HydrophobicContact CD2-CZ 4.45Å; Y291-F355 AromaticContact CE2-CE1 3.69Å; Y291-F355 HydrophobicContact CE2-CE1 3.69Å; Y291-F355 HydrophobicContact CE2-CZ 4.4Å; Y291-F355 AromaticContact CZ-CE1 3.98Å; T328-F355 PolarHBondContact N-O 2.81Å; T328-F355 PolarHBondContact O-N 3.4Å; V330-F355 HydrophobicContact CB-CD2 4.18Å; V330-F355 HydrophobicContact CB-CE2 3.88Å; V330-F355 HydrophobicContact CG2-CD2 3.51Å; V330-F355 HydrophobicContact CG2-CE2 3.46Å; V330-F355 VanDerWaalsContact CG2-CE2 3.46Å; I353-F355 HydrophobicContact CB-CD2 4.48Å; I353-F355 HydrophobicContact CB-CE2 3.9Å; I353-F355 HydrophobicContact CG2-CD2 4.01Å; I353-F355 HydrophobicContact CG2-CE2 3.42Å; I353-F355 VanDerWaalsContact CG2-CE2 3.42Å; I353-F355 HydrophobicContact CG2-CZ 3.75Å; F355-F364 HydrophobicContact CD1-CB 3.77Å; F355-F364 HydrophobicContact CE1-CB 3.63Å; F355-F364 HydrophobicContact CE1-CG 4.33Å; F355-F364 HydrophobicContact CG-CB 4.39Å; F355-F364 HydrophobicContact CZ-CB 4.14Å |
| 356 | N | 73.2 | Confident | 74.8 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.8 | 174.8 | -66.6 | -13.7 | 0 | 0 | 0 | 109 | Q327 L358 C363 | Q327-N356 VanDerWaalsContact CD-OD1 3.26Å; Q327-N356 WeakPolarHBondContact CG-OD1 3.38Å; Q327-N356 PolarHBondContact NE2-ND2 3.4Å; Q327-N356 PolarHBondContact NE2-OD1 3.09Å; Q327-N356 VanDerWaalsContact NE2-OD1 3.08Å; N356-L358 PolarHBondContact O-N 3.05Å; N356-C363 PolarHBondContact N-O 3.22Å; N356-C363 PolarHBondContact O-N 2.81Å |
| 357 | Q | 64.9 | Low | 75.2 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 107.6 | 176.8 | -159.7 | 176 | -9 | 0 | 0 | 108.7 | D260 L362 | D260-Q357 PolarHBondContact OD2-NE2 3.08Å; Q357-L362 HydrophobicContact CB-CD2 4.31Å; Q357-L362 HydrophobicContact CG-CD2 4.35Å |
| 358 | L | 51.3 | Low | 75.2 | Confident | 108 Ų | 108 | 53.4 Ų | 53.4 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.9 | 177.8 | -144.1 | 90.8 | 0 | 0 | 0 | 109.3 | N356 S360 S361 | N356-L358 PolarHBondContact O-N 3.05Å; L358-S360 PolarHBondContact O-N 2.68Å; L358-S361 PolarHBondContact N-O 3.14Å; L358-S361 VanDerWaalsContact N-O 3.12Å; L358-S361 PolarHBondContact O-N 2.97Å; L358-S361 VanDerWaalsContact O-O 3.11Å; L358-S361 PolarHBondContact O-OG 3.27Å |
| 359 | E | 54.7 | Low | 75 | Confident | 193 Ų | 193 | 55.3 Ų | 55.3 | 90% | 0.902 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | -71.6 | -178.3 | -58.3 | -178 | 166.7 | 0 | 0 | 115.1 | ||
| 360 | S | 54.8 | Low | 74.9 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 78% | 0.776 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | -14.4 | -176.6 | -43.2 | 0 | 0 | 0 | 0 | 113.5 | L358 | L358-S360 PolarHBondContact O-N 2.68Š|
| 361 | S | 57.5 | Low | 74.6 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 47% | 0.469 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.1 | -177.4 | 54 | 0 | 0 | 0 | 0 | 110.9 | L358 C363 | L358-S361 PolarHBondContact N-O 3.14Å; L358-S361 VanDerWaalsContact N-O 3.12Å; L358-S361 PolarHBondContact O-N 2.97Å; L358-S361 VanDerWaalsContact O-O 3.11Å; L358-S361 PolarHBondContact O-OG 3.27Å; S361-C363 PolarHBondContact O-N 3.39Å |
| 362 | L | 66 | Low | 74.3 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 113.7 | 170.6 | -75.7 | 162.4 | 0 | 0 | 0 | 109 | I276 Y291 Q357 | I276-L362 HydrophobicContact CB-CD1 4.15Å; I276-L362 HydrophobicContact CD1-CD1 4.1Å; I276-L362 HydrophobicContact CG2-CD1 3.68Å; Y291-L362 PolarHBondContact OH-O 3.09Å; Q357-L362 HydrophobicContact CB-CD2 4.31Å; Q357-L362 HydrophobicContact CG-CD2 4.35Å |
| 363 | C | 69.5 | Low | 73.9 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.7 | 167.5 | -65.6 | 0 | 0 | 0 | 0 | 108.4 | N356 S361 | N356-C363 PolarHBondContact N-O 3.22Å; N356-C363 PolarHBondContact O-N 2.81Å; S361-C363 PolarHBondContact O-N 3.39Å |
| 364 | F | 80.1 | Confident | 73.6 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 25% | 0.25 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.9 | 175.5 | 72.5 | -88 | 0 | 0 | 0 | 111 | Y291 L296 I353 K354 F355 I366 | Y291-F364 AromaticContact CD1-CD1 3.71Å; Y291-F364 HydrophobicContact CD1-CD1 3.71Å; Y291-F364 AromaticContact CD1-CE1 3.43Å; Y291-F364 HydrophobicContact CD1-CE1 3.43Å; Y291-F364 VanDerWaalsContact CD1-CE1 3.43Å; Y291-F364 HydrophobicContact CD1-CZ 4.35Å; Y291-F364 AromaticContact CE1-CD1 3.34Å; Y291-F364 HydrophobicContact CE1-CD1 3.34Å; Y291-F364 AromaticContact CE1-CE1 3.42Å; Y291-F364 HydrophobicContact CE1-CE1 3.42Å; Y291-F364 VanDerWaalsContact CE1-CE1 3.42Å; L296-F364 HydrophobicContact CD2-CD2 4.04Å; L296-F364 HydrophobicContact CD2-CE1 4.32Å; L296-F364 HydrophobicContact CD2-CE2 3.66Å; L296-F364 HydrophobicContact CD2-CZ 3.81Å; I353-F364 HydrophobicContact CG2-CB 3.85Å; I353-F364 HydrophobicContact CG2-CD2 3.99Å; I353-F364 HydrophobicContact CG2-CG 4.27Å; K354-F364 CarbonylContact O-C 3.58Å; K354-F364 VanDerWaalsContact O-CA 3.25Å; K354-F364 WeakPolarHBondContact O-CA 3.1Å; F355-F364 HydrophobicContact CD1-CB 3.77Å; F355-F364 HydrophobicContact CE1-CB 3.63Å; F355-F364 HydrophobicContact CE1-CG 4.33Å; F355-F364 HydrophobicContact CG-CB 4.39Å; F355-F364 HydrophobicContact CZ-CB 4.14Å; F364-I366 HydrophobicContact CD2-CG1 4.28Å; F364-I366 HydrophobicContact CE2-CD1 4.29Å; F364-I366 HydrophobicContact CE2-CG1 4.32Å |
| 365 | V | 78 | Confident | 73.2 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133 | 169 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | K354 | K354-V365 PolarHBondContact N-O 3.33Å; K354-V365 PolarHBondContact O-N 3.36Å |
| 366 | I | 77.1 | Confident | 73 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.7 | 171.1 | -65.5 | 170.8 | 0 | 0 | 0 | 107.6 | L296 S299 T300 L351 I353 F364 T369 | L296-I366 WeakPolarHBondContact O-CD1 3.49Å; S299-I366 WeakPolarHBondContact OG-CD1 3.21Å; T300-I366 HydrophobicContact CG2-CB 3.82Å; T300-I366 HydrophobicContact CG2-CD1 3.17Å; T300-I366 HydrophobicContact CG2-CG1 4.06Å; T300-I366 HydrophobicContact CG2-CG2 3.53Å; L351-I366 HydrophobicContact CD1-CD1 4.14Å; L351-I366 HydrophobicContact CD1-CG1 4.37Å; L351-I366 HydrophobicContact CD1-CG2 3.45Å; L351-I366 VanDerWaalsContact CD1-CG2 3.45Å; L351-I366 HydrophobicContact CD2-CD1 4.18Å; L351-I366 HydrophobicContact CG-CG2 4.32Å; I353-I366 HydrophobicContact CG1-CG1 4.42Å; F364-I366 HydrophobicContact CD2-CG1 4.28Å; F364-I366 HydrophobicContact CE2-CD1 4.29Å; F364-I366 HydrophobicContact CE2-CG1 4.32Å; I366-T369 HydrophobicContact CG2-CG2 4.23Å |
| 367 | D | 74.4 | Confident | 72.6 | Confident | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -45.9 | -174.2 | -163.1 | 52.5 | 0 | 0 | 0 | 111.1 | T352 K354 | T352-D367 HydrophobicContact CG2-CB 4.05Å; T352-D367 PolarHBondContact O-N 2.68Å; K354-D367 HydrophobicContact CD-CB 4.01Å; K354-D367 WeakPolarHBondContact CE-OD1 3.31Å; K354-D367 WeakPolarHBondContact CE-OD2 3.49Å; K354-D367 HydrophobicContact CG-CB 4.23Å; K354-D367 IonicContact NZ-OD1 2.76Å; K354-D367 PolarHBondContact NZ-OD1 3.36Å; K354-D367 IonicContact NZ-OD2 3.1Å; K354-D367 PolarHBondContact NZ-OD2 2.91Å |
| 368 | N | 80.2 | Confident | 72.1 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 152.5 | -177.3 | -163.3 | 14.4 | 0 | 0 | 0 | 112 | T352 V370 L423 | T352-N368 PolarHBondContact N-O 3.24Å; N368-V370 VanDerWaalsContact ND2-CG2 3.29Å; N368-V370 WeakPolarHBondContact ND2-CG2 3.44Å; N368-L423 PolarHBondContact ND2-O 2.89Å |
| 369 | T | 83.8 | Confident | 72 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 116.7 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 108.6 | T300 A302 F303 L351 I366 | T300-T369 HydrophobicContact CG2-CG2 4.09Å; A302-T369 HydrophobicContact CB-CG2 3.92Å; A302-T369 WeakPolarHBondContact CB-OG1 3.37Å; F303-T369 HydrophobicContact CE2-CG2 3.85Å; L351-T369 HydrophobicContact CD1-CG2 3.38Å; I366-T369 HydrophobicContact CG2-CG2 4.23Å |
| 370 | V | 85.7 | Confident | 71.7 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.8 | -171.2 | -179 | 0 | 0 | 0 | 0 | 110.1 | R349 L350 N368 L423 T424 G425 | R349-V370 CarbonylContact C-O 3.37Å; R349-V370 VanDerWaalsContact CA-O 3.27Å; R349-V370 WeakPolarHBondContact CA-O 3.49Å; L350-V370 PolarHBondContact N-O 3.42Å; L350-V370 PolarHBondContact O-N 3.14Å; N368-V370 VanDerWaalsContact ND2-CG2 3.29Å; N368-V370 WeakPolarHBondContact ND2-CG2 3.44Å; V370-L423 WeakPolarHBondContact CG2-O 3.46Å; V370-T424 VanDerWaalsContact CG1-O 3.28Å; V370-T424 WeakPolarHBondContact CG1-O 3.3Å; V370-G425 VanDerWaalsContact CG1-CA 3.42Å |
| 371 | G | 84.9 | Confident | 71.3 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 372 | I | 83.9 | Confident | 70.6 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.1 | 173.2 | -60.7 | 165.5 | 0 | 0 | 0 | 107 | L333 L348 L350 Y374 L409 I420 | L333-I372 HydrophobicContact CD1-CD1 4.22Å; L348-I372 HydrophobicContact CB-CB 4.09Å; L348-I372 PolarHBondContact N-O 3.14Å; L348-I372 PolarHBondContact O-N 3.43Å; L350-I372 HydrophobicContact CB-CD1 3.74Å; L350-I372 HydrophobicContact CD2-CD1 4.44Å; I372-Y374 PolarHBondContact O-N 3.3Å; I372-L409 HydrophobicContact CD1-CD1 4.3Å; I372-L409 HydrophobicContact CG2-CD1 3.95Å; I372-I420 HydrophobicContact CD1-CD1 3.54Å; I372-I420 HydrophobicContact CG1-CD1 4.36Å; I372-I420 HydrophobicContact CG2-CG2 4.43Å |
| 373 | E | 79.9 | Confident | 69.4 | Low | 168 Ų | 168 | 70.1 Ų | 70.1 | 79% | 0.785 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 127.2 | 172.1 | -174.8 | -179.7 | 176.9 | 0 | 0 | 109 | P375 | E373-P375 WeakPolarHBondContact O-CD 3.48Å |
| 374 | Y | 80.9 | Confident | 68.1 | Low | 27 Ų | 27 | 70.1 Ų | 70.1 | 11% | 0.106 | 40% | 0.397 | C | S | . | . | trans | -64.5 | 109.7 | -176.7 | -179.2 | -92.4 | 0 | 0 | 0 | 110.1 | K346 L348 I372 F376 I389 | K346-Y374 HydrophobicContact CB-CD1 4.25Å; K346-Y374 HydrophobicContact CB-CD2 3.64Å; K346-Y374 HydrophobicContact CB-CE1 4.45Å; K346-Y374 HydrophobicContact CB-CE2 3.92Å; K346-Y374 HydrophobicContact CB-CG 3.84Å; K346-Y374 HydrophobicContact CD-CD2 4.36Å; K346-Y374 HydrophobicContact CD-CE1 4.09Å; K346-Y374 HydrophobicContact CD-CE2 3.76Å; K346-Y374 WeakPolarHBondContact O-CB 3.25Å; L348-Y374 HydrophobicContact CD1-CD2 3.86Å; L348-Y374 HydrophobicContact CD2-CD2 4.48Å; L348-Y374 HydrophobicContact CG-CD2 3.91Å; I372-Y374 PolarHBondContact O-N 3.3Å; Y374-F376 VanDerWaalsContact CD1-O 3.26Å; Y374-F376 WeakPolarHBondContact CD1-O 3.17Å; Y374-F376 HydrophobicContact CE1-CB 3.93Å; Y374-F376 WeakPolarHBondContact CE1-O 3.43Å; Y374-F376 HydrophobicContact CE2-CD2 4.43Å; Y374-I389 HydrophobicContact CE2-CD1 3.93Å | ||
| 375 | P | 76 | Confident | 66.4 | Low | 24 Ų | 24 | 75 Ų | 75 | 16% | 0.156 | 43% | 0.426 | C | S | . | . | trans | -91.5 | -15.3 | -161.3 | 36.2 | -35.6 | 0 | 0 | 0 | 112.3 | E373 F418 | E373-P375 WeakPolarHBondContact O-CD 3.48Å; P375-F418 HydrophobicContact CB-CB 4.43Å; P375-F418 HydrophobicContact CB-CD1 3.68Å; P375-F418 HydrophobicContact CB-CD2 3.71Å; P375-F418 HydrophobicContact CB-CE1 3.67Å; P375-F418 HydrophobicContact CB-CE2 3.73Å; P375-F418 HydrophobicContact CB-CG 3.67Å; P375-F418 HydrophobicContact CB-CZ 3.7Å; P375-F418 HydrophobicContact CG-CB 4.28Å; P375-F418 HydrophobicContact CG-CD1 4.34Å; P375-F418 HydrophobicContact CG-CD2 3.56Å; P375-F418 HydrophobicContact CG-CE2 3.87Å; P375-F418 HydrophobicContact CG-CG 3.81Å; P375-F418 HydrophobicContact CG-CZ 4.36Å; P375-F418 WeakPolarHBondContact O-CZ 3.26Å | ||
| 376 | F | 75.6 | Confident | 65.1 | Low | 8 Ų | 8 | 74.1 Ų | 74.1 | 4% | 0.035 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -80.7 | 127 | -177.6 | -56.2 | -81.1 | 0 | 0 | 0 | 109.7 | Y374 D378 I389 L409 C411 Q416 F418 | Y374-F376 VanDerWaalsContact CD1-O 3.26Å; Y374-F376 WeakPolarHBondContact CD1-O 3.17Å; Y374-F376 HydrophobicContact CE1-CB 3.93Å; Y374-F376 WeakPolarHBondContact CE1-O 3.43Å; Y374-F376 HydrophobicContact CE2-CD2 4.43Å; F376-D378 PolarHBondContact O-N 3.38Å; F376-I389 HydrophobicContact CD2-CD1 3.81Å; F376-I389 HydrophobicContact CD2-CG1 4.14Å; F376-I389 HydrophobicContact CE2-CB 4.47Å; F376-I389 HydrophobicContact CE2-CD1 3.78Å; F376-I389 HydrophobicContact CE2-CG1 3.82Å; F376-I389 HydrophobicContact CE2-CG2 3.86Å; F376-I389 HydrophobicContact CZ-CG1 4.35Å; F376-I389 HydrophobicContact CZ-CG2 4.18Å; F376-L409 HydrophobicContact CZ-CB 4.46Å; F376-C411 HydrophobicContact CD1-CB 4.14Å; F376-C411 HydrophobicContact CE1-CB 3.72Å; F376-C411 HydrophobicContact CZ-CB 4.35Å; F376-Q416 HydrophobicContact CD1-CB 4.07Å; F376-Q416 HydrophobicContact CE1-CB 4.09Å; F376-F418 HydrophobicContact CD1-CD2 4.09Å; F376-F418 AromaticContact CD1-CE2 3.56Å; F376-F418 HydrophobicContact CD1-CE2 3.56Å; F376-F418 AromaticContact CE1-CD2 3.64Å; F376-F418 HydrophobicContact CE1-CD2 3.64Å; F376-F418 AromaticContact CE1-CE2 3.59Å; F376-F418 HydrophobicContact CE1-CE2 3.59Å; F376-F418 HydrophobicContact CE2-CD2 4.42Å; F376-F418 HydrophobicContact CG-CE2 4.1Å; F376-F418 AromaticContact CZ-CD2 3.82Å; F376-F418 HydrophobicContact CZ-CD2 3.82Å; F376-F418 HydrophobicContact CZ-CE2 4.16Å |
| 377 | A | 65.7 | Low | 63.9 | Low | 60 Ų | 60 | 74.5 Ų | 74.5 | 50% | 0.496 | 44% | 0.435 | S | S | . | . | trans | -62.2 | 130.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T379 | A377-T379 PolarHBondContact O-N 2.81Å; A377-T379 PolarHBondContact O-OG1 2.96Å | ||
| 378 | D | 54.7 | Low | 63.7 | Low | 108 Ų | 108 | 75.7 Ų | 75.7 | 58% | 0.578 | 44% | 0.442 | S | S | * | . | trans | -63.7 | 77.8 | 168.6 | -82.2 | -37.4 | 0 | 0 | 0 | 108.5 | K346 F376 | K346-D378 IonicContact NZ-OD1 3.68Å; K346-D378 PolarHBondContact NZ-OD1 3.44Å; F376-D378 PolarHBondContact O-N 3.38Å | ||
| 379 | T | 49.3 | Very low | 64 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | trans | -74.2 | 145 | 175.3 | -35.2 | 0 | 0 | 0 | 0 | 106.3 | A377 L381 | A377-T379 PolarHBondContact O-N 2.81Å; A377-T379 PolarHBondContact O-OG1 2.96Å; T379-L381 HydrophobicContact CG2-CD1 4.19Å; T379-L381 PolarHBondContact O-N 3.2Å | ||
| 380 | E | 48.1 | Very low | 64.3 | Low | 194 Ų | 194 | 73.8 Ų | 73.8 | 91% | 0.907 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -52.9 | 14 | -172.4 | -60.1 | -176.3 | 158.9 | 0 | 0 | 117.6 | S382 | E380-S382 PolarHBondContact O-N 3.34Š|
| 381 | L | 47 | Very low | 64.5 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 41% | 0.408 | 43% | 0.426 | S | S | . | . | trans | -85.8 | 31.4 | 175.7 | -69 | 123.3 | 0 | 0 | 0 | 113.1 | T379 N383 F387 | T379-L381 HydrophobicContact CG2-CD1 4.19Å; T379-L381 PolarHBondContact O-N 3.2Å; L381-N383 PolarHBondContact O-N 3.1Å; L381-F387 HydrophobicContact CB-CZ 4.24Å | ||
| 382 | S | 42.9 | Very low | 64.7 | Low | 95 Ų | 95 | 71.5 Ų | 71.5 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.3 | -173.6 | 51.6 | 0 | 0 | 0 | 0 | 115.5 | E380 | E380-S382 PolarHBondContact O-N 3.34Š|
| 383 | N | 40.5 | Very low | 64.8 | Low | 159 Ų | 159 | 71.4 Ų | 71.4 | 85% | 0.85 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 18.5 | -169.3 | -72.2 | -11.4 | 0 | 0 | 0 | 115.9 | L381 | L381-N383 PolarHBondContact O-N 3.1Š|
| 384 | S | 40.8 | Very low | 64.8 | Low | 62 Ų | 62 | 64.5 Ų | 64.5 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -133.3 | 122.8 | 174.6 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 385 | D | 45.1 | Very low | 64.2 | Low | 159 Ų | 159 | 65.8 Ų | 65.8 | 85% | 0.85 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 6.9 | 109.3 | 169.3 | -67.2 | -25.2 | 0 | 0 | 0 | 115.1 | ||
| 386 | G | 50.5 | Low | 63.5 | Low | 68 Ų | 68 | 66.9 Ų | 66.9 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | trans | 21.2 | 112.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | N388 | G386-N388 PolarHBondContact O-N 3.08Š| ||
| 387 | F | 51.8 | Low | 62.1 | Low | 41 Ų | 41 | 68.7 Ų | 68.7 | 18% | 0.18 | 40% | 0.403 | C | S | . | . | trans | -51.5 | 109.8 | 162 | -73.6 | -93.7 | 0 | 0 | 0 | 108.7 | L381 I389 R413 T414 | L381-F387 HydrophobicContact CB-CZ 4.24Å; F387-I389 HydrophobicContact CB-CG1 4.42Å; F387-I389 PolarHBondContact O-N 2.96Å; F387-R413 VanDerWaalsContact CG-NH2 3.32Å; F387-T414 HydrophobicContact CD1-CG2 4.49Å; F387-T414 HydrophobicContact CE1-CG2 4.22Å | ||
| 388 | N | 71.3 | Confident | 61.2 | Low | 111 Ų | 111 | 69.2 Ų | 69.2 | 59% | 0.594 | 40% | 0.4 | S | S | * | . | trans | -79.3 | 71.4 | -177.5 | -160.7 | -0.1 | 0 | 0 | 0 | 108.6 | G386 Q390 | G386-N388 PolarHBondContact O-N 3.08Å; N388-Q390 PolarHBondContact O-N 3.18Å | ||
| 389 | I | 85.8 | Confident | 61 | Low | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.051 | 39% | 0.389 | C | S | . | . | trans | -65.5 | 126.8 | 173.2 | -61.9 | 170.5 | 0 | 0 | 0 | 106.6 | V313 L333 Y374 F376 F387 L409 | V313-I389 HydrophobicContact CG1-CB 3.97Å; V313-I389 HydrophobicContact CG1-CG2 4.46Å; V313-I389 WeakPolarHBondContact CG1-O 3.48Å; L333-I389 HydrophobicContact CD2-CG2 4.12Å; Y374-I389 HydrophobicContact CE2-CD1 3.93Å; F376-I389 HydrophobicContact CD2-CD1 3.81Å; F376-I389 HydrophobicContact CD2-CG1 4.14Å; F376-I389 HydrophobicContact CE2-CB 4.47Å; F376-I389 HydrophobicContact CE2-CD1 3.78Å; F376-I389 HydrophobicContact CE2-CG1 3.82Å; F376-I389 HydrophobicContact CE2-CG2 3.86Å; F376-I389 HydrophobicContact CZ-CG1 4.35Å; F376-I389 HydrophobicContact CZ-CG2 4.18Å; F387-I389 HydrophobicContact CB-CG1 4.42Å; F387-I389 PolarHBondContact O-N 2.96Å; I389-L409 HydrophobicContact CG2-CD2 4.33Å | ||
| 390 | Q | 89.1 | Confident | 61.2 | Low | 49 Ų | 49 | 67 Ų | 67 | 23% | 0.229 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.5 | 177.9 | -68.9 | -179.3 | 2.4 | 0 | 0 | 109.9 | D314 N388 L409 Y410 | D314-Q390 WeakPolarHBondContact OD2-CA 3.46Å; N388-Q390 PolarHBondContact O-N 3.18Å; Q390-L409 WeakPolarHBondContact O-CA 3.27Å; Q390-Y410 HydrophobicContact CB-CD1 4.1Å; Q390-Y410 HydrophobicContact CB-CD2 4.13Å; Q390-Y410 HydrophobicContact CB-CE1 3.59Å; Q390-Y410 HydrophobicContact CB-CE2 3.59Å; Q390-Y410 HydrophobicContact CB-CG 4.36Å; Q390-Y410 WeakPolarHBondContact CB-OH 3.43Å; Q390-Y410 HydrophobicContact CG-CE2 4.24Å; Q390-Y410 PolarHBondContact N-O 3.09Å; Q390-Y410 WeakPolarHBondContact O-CD1 3.46Å; Q390-Y410 PolarHBondContact O-N 2.96Å; Q390-Y410 PolarHBondContact OE1-OH 3.34Å |
| 391 | F | 91.5 | Very high | 61.7 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.1 | 179.8 | -178.4 | -122.2 | 0 | 0 | 0 | 110.1 | R249 D314 A316 L333 L350 L393 C408 L409 I420 V422 | R249-F391 PolarHBondContact NH1-O 3.37Å; D314-F391 HydrophobicContact CB-CB 4.19Å; D314-F391 PolarHBondContact OD2-N 2.97Å; A316-F391 HydrophobicContact CB-CD1 3.74Å; A316-F391 HydrophobicContact CB-CE1 3.75Å; L333-F391 HydrophobicContact CD2-CB 4.3Å; L350-F391 HydrophobicContact CD1-CD1 4.38Å; L350-F391 HydrophobicContact CD1-CE1 3.86Å; L350-F391 HydrophobicContact CD1-CZ 4.02Å; L350-F391 HydrophobicContact CD2-CZ 4.01Å; F391-L393 HydrophobicContact CE1-CD1 4.4Å; F391-L393 HydrophobicContact CE1-CD2 4.15Å; F391-L393 HydrophobicContact CE1-CG 4.07Å; F391-L393 HydrophobicContact CE2-CD2 4.3Å; F391-L393 HydrophobicContact CZ-CD2 3.59Å; F391-L393 HydrophobicContact CZ-CG 4Å; F391-C408 WeakPolarHBondContact CA-O 3.14Å; F391-L409 HydrophobicContact CB-CD2 4.06Å; F391-L409 HydrophobicContact CD2-CD2 3.6Å; F391-L409 HydrophobicContact CD2-CG 4.18Å; F391-L409 HydrophobicContact CE2-CD2 4.46Å; F391-L409 HydrophobicContact CG-CD2 4.18Å; F391-I420 HydrophobicContact CE2-CD1 4.14Å; F391-V422 HydrophobicContact CZ-CG2 4.49Å |
| 392 | C | 88.3 | Confident | 62.7 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.034 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.9 | 171.7 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | C408 Y410 | C392-C408 PolarHBondContact N-O 2.97Å; C392-C408 PolarHBondContact O-N 3.36Å; C392-Y410 HydrophobicContact CB-CE1 4.42Å |
| 393 | L | 87 | Confident | 63.8 | Low | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | trans | -113.8 | 151.9 | 176.2 | -65.9 | 172.2 | 0 | 0 | 0 | 109.3 | A316 Y331 F391 L405 V422 N452 | A316-L393 HydrophobicContact CB-CB 4.26Å; A316-L393 HydrophobicContact CB-CD1 3.59Å; A316-L393 HydrophobicContact CB-CG 3.65Å; Y331-L393 HydrophobicContact CD2-CD1 3.3Å; Y331-L393 HydrophobicContact CE2-CD1 3.8Å; Y331-L393 HydrophobicContact CG-CD1 3.96Å; F391-L393 HydrophobicContact CE1-CD1 4.4Å; F391-L393 HydrophobicContact CE1-CD2 4.15Å; F391-L393 HydrophobicContact CE1-CG 4.07Å; F391-L393 HydrophobicContact CE2-CD2 4.3Å; F391-L393 HydrophobicContact CZ-CD2 3.59Å; F391-L393 HydrophobicContact CZ-CG 4Å; L393-L405 HydrophobicContact CD2-CD1 4.45Å; L393-L405 HydrophobicContact CD2-CD2 4.26Å; L393-L405 HydrophobicContact CD2-CG 4.27Å; L393-V422 HydrophobicContact CD2-CG2 3.69Å; L393-N452 VanDerWaalsContact O-CB 3.23Å; L393-N452 WeakPolarHBondContact O-CB 3.36Å; L393-N452 PolarHBondContact O-ND2 2.77Å | ||
| 394 | P | 79.2 | Confident | 65.3 | Low | 23 Ų | 23 | 44.2 Ų | 44.2 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | trans | -60.1 | 150.3 | 170.9 | 27.5 | -34.4 | 0 | 0 | 0 | 110.5 | L405 L406 L458 | P394-L405 HydrophobicContact CG-CD1 4.11Å; P394-L406 WeakPolarHBondContact CD-O 3.4Å; P394-L458 HydrophobicContact CB-CD2 4.16Å; P394-L458 HydrophobicContact CG-CD2 4.37Å | ||
| 395 | T | 68.8 | Low | 67.1 | Low | 54 Ų | 54 | 42.9 Ų | 42.9 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | trans | -69.3 | 152.6 | 179 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | S397 N452 D454 | T395-S397 PolarHBondContact O-N 3.26Å; T395-N452 VanDerWaalsContact CB-O 3.31Å; T395-N452 WeakPolarHBondContact CB-O 3.42Å; T395-N452 WeakPolarHBondContact CG2-O 3.3Å; T395-N452 PolarHBondContact N-O 3.1Å; T395-N452 VanDerWaalsContact N-O 3.15Å; T395-N452 PolarHBondContact OG1-O 3.48Å; T395-D454 PolarHBondContact OG1-O 3.31Å | ||
| 396 | N | 59.3 | Low | 69 | Low | 46 Ų | 46 | 35.4 Ų | 35.4 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -70.3 | 22.2 | -173.5 | -59.2 | -11.8 | 0 | 0 | 0 | 116 | Q318 S319 | Q318-N396 WeakPolarHBondContact CG-OD1 3.42Å; S319-N396 WeakPolarHBondContact CA-ND2 3.43Å; S319-N396 PolarHBondContact N-ND2 2.73Å; S319-N396 PolarHBondContact O-ND2 3.39Å |
| 397 | S | 46.9 | Very low | 70.8 | Confident | 46 Ų | 46 | 32.1 Ų | 32.1 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -87 | -7.6 | -160.8 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | T395 V455 | T395-S397 PolarHBondContact O-N 3.26Å; S397-V455 WeakPolarHBondContact OG-CA 3.16Å |
| 398 | V | 47.9 | Very low | 72.7 | Confident | 71 Ų | 71 | 30.2 Ų | 30.2 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -150.3 | 136.6 | 166.8 | -167.4 | 0 | 0 | 0 | 0 | 108.3 | Q400 L401 V455 | V398-Q400 PolarHBondContact O-N 3.11Å; V398-L401 HydrophobicContact CB-CD1 4.1Å; V398-L401 HydrophobicContact CG2-CD1 4.16Å; V398-V455 HydrophobicContact CG2-CG1 3.52Å |
| 399 | P | 49.1 | Very low | 73.6 | Confident | 51 Ų | 51 | 24.9 Ų | 24.9 | 33% | 0.331 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 126.2 | 167 | 22.3 | -28.8 | 0 | 0 | 0 | 109.7 | Y322 L401 L561 | Y322-P399 HydrophobicContact CE2-CG 4.38Å; P399-L401 PolarHBondContact O-N 3.49Å; P399-L561 HydrophobicContact CB-CD1 4.09Å |
| 400 | Q | 54.8 | Low | 73.9 | Confident | 78 Ų | 78 | 24.9 Ų | 24.9 | 36% | 0.364 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 52.9 | 161.2 | -60.2 | 172.7 | -6.5 | 0 | 0 | 116 | V398 Y402 | V398-Q400 PolarHBondContact O-N 3.11Å; Q400-Y402 PolarHBondContact O-N 3.41Å |
| 401 | L | 57.5 | Low | 73.8 | Confident | 22 Ų | 22 | 22.7 Ų | 22.7 | 12% | 0.115 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -49.7 | -24.1 | 163 | -132.8 | 94.6 | 0 | 0 | 0 | 112.7 | V398 P399 V455 H456 L458 P473 L542 F544 | V398-L401 HydrophobicContact CB-CD1 4.1Å; V398-L401 HydrophobicContact CG2-CD1 4.16Å; P399-L401 PolarHBondContact O-N 3.49Å; L401-V455 VanDerWaalsContact CD1-O 3.22Å; L401-V455 WeakPolarHBondContact CD1-O 3.35Å; L401-H456 WeakPolarHBondContact CD2-O 3.34Å; L401-L458 HydrophobicContact CB-CD2 4.43Å; L401-L458 HydrophobicContact CD2-CD2 4.33Å; L401-L458 HydrophobicContact CD2-CG 4.47Å; L401-P473 HydrophobicContact CD2-CG 3.96Å; L401-P473 HydrophobicContact CG-CG 4.45Å; L401-P473 VanDerWaalsContact O-CG 3.25Å; L401-P473 WeakPolarHBondContact O-CG 3.49Å; L401-L542 HydrophobicContact CD1-CD1 3.64Å; L401-L542 HydrophobicContact CD2-CD1 3.79Å; L401-L542 HydrophobicContact CG-CD1 3.66Å; L401-F544 WeakPolarHBondContact O-CE2 3.36Å; L401-F544 VanDerWaalsContact O-CZ 3.28Å; L401-F544 WeakPolarHBondContact O-CZ 3.41Å |
| 402 | Y | 68.4 | Low | 73.5 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -142.5 | 146.7 | 179.7 | -161.9 | -98.6 | 0 | 0 | 0 | 108.1 | R25 L27 Q400 C404 L406 P473 M602 F604 | R25-Y402 WeakPolarHBondContact O-CE2 3.36Å; R25-Y402 PolarHBondContact O-OH 3.46Å; L27-Y402 HydrophobicContact CD2-CD2 3.93Å; L27-Y402 HydrophobicContact CD2-CE2 3.51Å; L27-Y402 HydrophobicContact CG-CE2 3.84Å; Q400-Y402 PolarHBondContact O-N 3.41Å; Y402-C404 PolarHBondContact O-N 3.02Å; Y402-C404 VanDerWaalsContact O-N 3.13Å; Y402-L406 HydrophobicContact CD1-CD1 3.57Å; Y402-L406 HydrophobicContact CD1-CD2 3.83Å; Y402-L406 HydrophobicContact CD1-CG 3.61Å; Y402-L406 HydrophobicContact CD2-CD1 4.43Å; Y402-L406 HydrophobicContact CE1-CD1 3.69Å; Y402-L406 HydrophobicContact CE1-CD2 3.73Å; Y402-L406 HydrophobicContact CE1-CG 3.93Å; Y402-L406 HydrophobicContact CG-CD1 3.95Å; Y402-L406 HydrophobicContact CG-CG 4.3Å; Y402-P473 HydrophobicContact CD2-CB 4.2Å; Y402-P473 HydrophobicContact CD2-CG 4.19Å; Y402-M602 HydrophobicContact CD2-CE 4.12Å; Y402-M602 HydrophobicContact CE1-CE 4.17Å; Y402-M602 HydrophobicContact CE2-CE 3.34Å; Y402-M602 WeakPolarHBondContact OH-CE 2.93Å; Y402-F604 AromaticContact CE1-CE2 3.75Å; Y402-F604 HydrophobicContact CE1-CE2 3.75Å; Y402-F604 AromaticContact CE1-CZ 3.69Å; Y402-F604 HydrophobicContact CE1-CZ 3.69Å; Y402-F604 AromaticContact CZ-CE2 3.77Å; Y402-F604 AromaticContact CZ-CZ 3.88Å; Y402-F604 WeakPolarHBondContact OH-CE2 3.46Å; Y402-F604 WeakPolarHBondContact OH-CZ 3.43Å |
| 403 | P | 66.1 | Low | 73 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -65.2 | -18.4 | -170.1 | 23.7 | -35.6 | 0 | 0 | 0 | 115.1 | V599 M602 F604 Q607 Y611 | P403-V599 HydrophobicContact CB-CB 4.49Å; P403-V599 HydrophobicContact CB-CG1 4.26Å; P403-V599 HydrophobicContact CB-CG2 3.46Å; P403-V599 VanDerWaalsContact CB-CG2 3.46Å; P403-V599 HydrophobicContact CG-CG2 4.11Å; P403-M602 HydrophobicContact CG-CE 3.72Å; P403-M602 HydrophobicContact CG-SD 3.83Å; P403-F604 HydrophobicContact CG-CD2 4.41Å; P403-Q607 PolarHBondContact O-NE2 2.68Å; P403-Y611 PolarHBondContact O-OH 3.17Å; P403-Y611 VanDerWaalsContact O-OH 3.12Å |
| 404 | C | 71.9 | Confident | 72.8 | Confident | 9 Ų | 9 | 28.3 Ų | 28.3 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -129.4 | 158.3 | 173.1 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | Y402 L406 E421 | Y402-C404 PolarHBondContact O-N 3.02Å; Y402-C404 VanDerWaalsContact O-N 3.13Å; C404-L406 PolarHBondContact O-N 3.3Å; C404-E421 HydrophobicContact CB-CG 4.34Å; C404-E421 WeakPolarHBondContact CB-OE1 3.43Å |
| 405 | L | 78.5 | Confident | 73.1 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | trans | -73.5 | 115.3 | 175.2 | -179 | 64.8 | 0 | 0 | 0 | 109.2 | Y331 L393 P394 V422 | Y331-L405 HydrophobicContact CE1-CD2 4.36Å; Y331-L405 HydrophobicContact CE2-CD2 3.95Å; Y331-L405 WeakPolarHBondContact OH-CD2 3.27Å; L393-L405 HydrophobicContact CD2-CD1 4.45Å; L393-L405 HydrophobicContact CD2-CD2 4.26Å; L393-L405 HydrophobicContact CD2-CG 4.27Å; P394-L405 HydrophobicContact CG-CD1 4.11Å; L405-V422 HydrophobicContact CB-CB 4.29Å; L405-V422 HydrophobicContact CD2-CB 4.09Å; L405-V422 HydrophobicContact CD2-CG1 3.94Å; L405-V422 HydrophobicContact CD2-CG2 4.16Å; L405-V422 HydrophobicContact CG-CB 4.12Å; L405-V422 HydrophobicContact CG-CG2 3.95Å; L405-V422 WeakPolarHBondContact O-CB 3.28Å; L405-V422 WeakPolarHBondContact O-CG2 3.08Å; L405-V422 PolarHBondContact O-N 3.31Å | ||
| 406 | L | 85.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.4 | 176 | -58.1 | -171 | 0 | 0 | 0 | 111 | L27 P394 Y402 C404 I419 I420 I428 L458 | L27-L406 HydrophobicContact CD1-CD1 4.1Å; L27-L406 HydrophobicContact CD2-CD1 4.08Å; P394-L406 WeakPolarHBondContact CD-O 3.4Å; Y402-L406 HydrophobicContact CD1-CD1 3.57Å; Y402-L406 HydrophobicContact CD1-CD2 3.83Å; Y402-L406 HydrophobicContact CD1-CG 3.61Å; Y402-L406 HydrophobicContact CD2-CD1 4.43Å; Y402-L406 HydrophobicContact CE1-CD1 3.69Å; Y402-L406 HydrophobicContact CE1-CD2 3.73Å; Y402-L406 HydrophobicContact CE1-CG 3.93Å; Y402-L406 HydrophobicContact CG-CD1 3.95Å; Y402-L406 HydrophobicContact CG-CG 4.3Å; C404-L406 PolarHBondContact O-N 3.3Å; L406-I419 HydrophobicContact CB-CG2 4.35Å; L406-I419 HydrophobicContact CD1-CG2 4.14Å; L406-I420 WeakPolarHBondContact CA-O 3.47Å; L406-I428 HydrophobicContact CD2-CD1 3.16Å; L406-L458 HydrophobicContact CD1-CD1 3.97Å |
| 407 | G | 88 | Confident | 75.6 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I419 I420 | G407-I419 WeakPolarHBondContact O-CA 3.27Å; G407-I420 PolarHBondContact N-O 3.42Å; G407-I420 WeakPolarHBondContact O-CG1 3.4Å; G407-I420 PolarHBondContact O-N 3.28Å |
| 408 | C | 90.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.1 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 109.3 | F391 C392 V417 F418 I419 F459 | F391-C408 WeakPolarHBondContact CA-O 3.14Å; C392-C408 PolarHBondContact N-O 2.97Å; C392-C408 PolarHBondContact O-N 3.36Å; C408-V417 WeakPolarHBondContact SG-CG1 3.41Å; C408-F418 WeakPolarHBondContact CA-O 3.13Å; C408-I419 HydrophobicContact CB-CD1 4.19Å; C408-F459 HydrophobicContact CB-CD1 3.79Å; C408-F459 HydrophobicContact CB-CD2 4.16Å; C408-F459 HydrophobicContact CB-CE1 3.4Å; C408-F459 VanDerWaalsContact CB-CE1 3.4Å; C408-F459 HydrophobicContact CB-CE2 3.81Å; C408-F459 HydrophobicContact CB-CG 4.16Å; C408-F459 HydrophobicContact CB-CZ 3.42Å; C408-F459 VanDerWaalsContact CB-CZ 3.42Å |
| 409 | L | 91.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.1 | 169.8 | -69.9 | 174.3 | 0 | 0 | 0 | 109 | L333 I372 F376 I389 Q390 F391 V417 F418 I420 | L333-L409 HydrophobicContact CD1-CD2 4.2Å; L333-L409 HydrophobicContact CD2-CD2 3.56Å; I372-L409 HydrophobicContact CD1-CD1 4.3Å; I372-L409 HydrophobicContact CG2-CD1 3.95Å; F376-L409 HydrophobicContact CZ-CB 4.46Å; I389-L409 HydrophobicContact CG2-CD2 4.33Å; Q390-L409 WeakPolarHBondContact O-CA 3.27Å; F391-L409 HydrophobicContact CB-CD2 4.06Å; F391-L409 HydrophobicContact CD2-CD2 3.6Å; F391-L409 HydrophobicContact CD2-CG 4.18Å; F391-L409 HydrophobicContact CE2-CD2 4.46Å; F391-L409 HydrophobicContact CG-CD2 4.18Å; L409-V417 CarbonylContact O-C 3.49Å; L409-V417 WeakPolarHBondContact O-CA 3.3Å; L409-F418 HydrophobicContact CB-CB 4.36Å; L409-F418 PolarHBondContact N-O 3.25Å; L409-F418 PolarHBondContact O-N 3.01Å; L409-I420 HydrophobicContact CD1-CD1 3.92Å; L409-I420 HydrophobicContact CD1-CG2 4.13Å; L409-I420 HydrophobicContact CG-CD1 4.06Å |
| 410 | Y | 90.9 | Very high | 81.6 | Confident | 10 Ų | 10 | 15.8 Ų | 15.8 | 4% | 0.039 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.4 | -176.9 | 64.4 | -82.7 | 0 | 0 | 0 | 113.5 | Q390 C392 L412 Q416 I450 | Q390-Y410 HydrophobicContact CB-CD1 4.1Å; Q390-Y410 HydrophobicContact CB-CD2 4.13Å; Q390-Y410 HydrophobicContact CB-CE1 3.59Å; Q390-Y410 HydrophobicContact CB-CE2 3.59Å; Q390-Y410 HydrophobicContact CB-CG 4.36Å; Q390-Y410 WeakPolarHBondContact CB-OH 3.43Å; Q390-Y410 HydrophobicContact CG-CE2 4.24Å; Q390-Y410 PolarHBondContact N-O 3.09Å; Q390-Y410 WeakPolarHBondContact O-CD1 3.46Å; Q390-Y410 PolarHBondContact O-N 2.96Å; Q390-Y410 PolarHBondContact OE1-OH 3.34Å; C392-Y410 HydrophobicContact CB-CE1 4.42Å; Y410-L412 HydrophobicContact CD2-CD2 3.83Å; Y410-L412 HydrophobicContact CD2-CG 3.94Å; Y410-L412 HydrophobicContact CE2-CD1 4.29Å; Y410-L412 HydrophobicContact CE2-CD2 3.9Å; Y410-L412 HydrophobicContact CE2-CG 3.87Å; Y410-Q416 WeakPolarHBondContact CA-O 3.44Å; Y410-I450 HydrophobicContact CD1-CD1 3.57Å; Y410-I450 HydrophobicContact CD1-CG1 4.46Å; Y410-I450 HydrophobicContact CD2-CD1 3.61Å; Y410-I450 HydrophobicContact CD2-CG1 4.07Å; Y410-I450 HydrophobicContact CE1-CB 4.47Å; Y410-I450 HydrophobicContact CE1-CD1 4.05Å; Y410-I450 HydrophobicContact CE2-CD1 4.12Å; Y410-I450 HydrophobicContact CE2-CG1 4.16Å; Y410-I450 HydrophobicContact CG-CD1 3.31Å; Y410-I450 HydrophobicContact CG-CG1 4.23Å |
| 411 | C | 88.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.014 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 106.5 | 172.1 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | F376 R413 T414 G415 Q416 | F376-C411 HydrophobicContact CD1-CB 4.14Å; F376-C411 HydrophobicContact CE1-CB 3.72Å; F376-C411 HydrophobicContact CZ-CB 4.35Å; C411-R413 PolarHBondContact O-N 3.32Å; C411-R413 VanDerWaalsContact O-N 3.14Å; C411-T414 WeakPolarHBondContact CB-OG1 3.35Å; C411-T414 PolarHBondContact O-N 2.99Å; C411-T414 PolarHBondContact O-OG1 3.05Å; C411-G415 PolarHBondContact O-N 3.25Å; C411-Q416 PolarHBondContact N-O 3.22Å |
| 412 | L | 83.4 | Confident | 84.4 | Confident | 43 Ų | 43 | 11.2 Ų | 11.2 | 23% | 0.225 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.1 | -178.2 | -62.8 | 174.7 | 0 | 0 | 0 | 113.2 | Y410 N436 L447 I448 | Y410-L412 HydrophobicContact CD2-CD2 3.83Å; Y410-L412 HydrophobicContact CD2-CG 3.94Å; Y410-L412 HydrophobicContact CE2-CD1 4.29Å; Y410-L412 HydrophobicContact CE2-CD2 3.9Å; Y410-L412 HydrophobicContact CE2-CG 3.87Å; L412-N436 PolarHBondContact O-ND2 2.97Å; L412-L447 HydrophobicContact CD2-CD2 3.88Å; L412-L447 HydrophobicContact CD2-CG 3.87Å; L412-I448 WeakPolarHBondContact CD1-O 3.41Å |
| 413 | R | 79.2 | Confident | 84.7 | Confident | 66 Ų | 66 | 13.7 Ų | 13.7 | 25% | 0.249 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -47.5 | 177.3 | -176.2 | 171.4 | 71.3 | -179.5 | 2.1 | 111.6 | F387 C411 P435 N436 | F387-R413 VanDerWaalsContact CG-NH2 3.32Å; C411-R413 PolarHBondContact O-N 3.32Å; C411-R413 VanDerWaalsContact O-N 3.14Å; R413-P435 WeakPolarHBondContact O-CA 3.44Å; R413-N436 PolarHBondContact O-N 3.38Å |
| 414 | T | 82.7 | Confident | 85.3 | Confident | 20 Ų | 20 | 15.1 Ų | 15.1 | 12% | 0.123 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.8 | 179.7 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | F387 C411 Q416 | F387-T414 HydrophobicContact CD1-CG2 4.49Å; F387-T414 HydrophobicContact CE1-CG2 4.22Å; C411-T414 WeakPolarHBondContact CB-OG1 3.35Å; C411-T414 PolarHBondContact O-N 2.99Å; C411-T414 PolarHBondContact O-OG1 3.05Å; T414-Q416 PolarHBondContact O-N 3.05Å; T414-Q416 PolarHBondContact OG1-N 2.71Å |
| 415 | G | 85.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 10.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C411 F433 | C411-G415 PolarHBondContact O-N 3.25Å; G415-F433 WeakPolarHBondContact O-CB 3.26Å; G415-F433 WeakPolarHBondContact O-CD2 3.31Å; G415-F433 PolarHBondContact O-N 3.14Å |
| 416 | Q | 89.1 | Confident | 86.1 | Confident | 23 Ų | 23 | 18 Ų | 18 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.8 | -179.4 | -66.5 | 177.9 | -28.7 | 0 | 0 | 111 | F376 Y410 C411 T414 F418 | F376-Q416 HydrophobicContact CD1-CB 4.07Å; F376-Q416 HydrophobicContact CE1-CB 4.09Å; Y410-Q416 WeakPolarHBondContact CA-O 3.44Å; C411-Q416 PolarHBondContact N-O 3.22Å; T414-Q416 PolarHBondContact O-N 3.05Å; T414-Q416 PolarHBondContact OG1-N 2.71Å; Q416-F418 HydrophobicContact CB-CE2 3.88Å; Q416-F418 HydrophobicContact CB-CZ 4.48Å |
| 417 | V | 91 | Very high | 86 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.4 | 176 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | C408 L409 I419 K430 L431 F433 L447 I450 F461 | C408-V417 WeakPolarHBondContact SG-CG1 3.41Å; L409-V417 CarbonylContact O-C 3.49Å; L409-V417 WeakPolarHBondContact O-CA 3.3Å; V417-I419 HydrophobicContact CG1-CD1 4.33Å; V417-K430 CarbonylContact O-C 3.57Å; V417-K430 WeakPolarHBondContact O-CA 3.45Å; V417-L431 HydrophobicContact CB-CB 4.14Å; V417-L431 HydrophobicContact CB-CD1 4.44Å; V417-L431 HydrophobicContact CG1-CD1 4.21Å; V417-L431 PolarHBondContact N-O 3.35Å; V417-L431 PolarHBondContact O-N 3.01Å; V417-F433 HydrophobicContact CG2-CD2 4.01Å; V417-F433 HydrophobicContact CG2-CE2 3.83Å; V417-L447 HydrophobicContact CG2-CD2 3.57Å; V417-I450 HydrophobicContact CG1-CD1 4.21Å; V417-I450 HydrophobicContact CG2-CD1 3.88Å; V417-F461 HydrophobicContact CG1-CE1 4.03Å |
| 418 | F | 91.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.2 | 179.5 | -67.4 | -79.1 | 0 | 0 | 0 | 109.1 | P375 F376 C408 L409 Q416 L427 K430 | P375-F418 HydrophobicContact CB-CB 4.43Å; P375-F418 HydrophobicContact CB-CD1 3.68Å; P375-F418 HydrophobicContact CB-CD2 3.71Å; P375-F418 HydrophobicContact CB-CE1 3.67Å; P375-F418 HydrophobicContact CB-CE2 3.73Å; P375-F418 HydrophobicContact CB-CG 3.67Å; P375-F418 HydrophobicContact CB-CZ 3.7Å; P375-F418 HydrophobicContact CG-CB 4.28Å; P375-F418 HydrophobicContact CG-CD1 4.34Å; P375-F418 HydrophobicContact CG-CD2 3.56Å; P375-F418 HydrophobicContact CG-CE2 3.87Å; P375-F418 HydrophobicContact CG-CG 3.81Å; P375-F418 HydrophobicContact CG-CZ 4.36Å; P375-F418 WeakPolarHBondContact O-CZ 3.26Å; F376-F418 HydrophobicContact CD1-CD2 4.09Å; F376-F418 AromaticContact CD1-CE2 3.56Å; F376-F418 HydrophobicContact CD1-CE2 3.56Å; F376-F418 AromaticContact CE1-CD2 3.64Å; F376-F418 HydrophobicContact CE1-CD2 3.64Å; F376-F418 AromaticContact CE1-CE2 3.59Å; F376-F418 HydrophobicContact CE1-CE2 3.59Å; F376-F418 HydrophobicContact CE2-CD2 4.42Å; F376-F418 HydrophobicContact CG-CE2 4.1Å; F376-F418 AromaticContact CZ-CD2 3.82Å; F376-F418 HydrophobicContact CZ-CD2 3.82Å; F376-F418 HydrophobicContact CZ-CE2 4.16Å; C408-F418 WeakPolarHBondContact CA-O 3.13Å; L409-F418 HydrophobicContact CB-CB 4.36Å; L409-F418 PolarHBondContact N-O 3.25Å; L409-F418 PolarHBondContact O-N 3.01Å; Q416-F418 HydrophobicContact CB-CE2 3.88Å; Q416-F418 HydrophobicContact CB-CZ 4.48Å; F418-L427 HydrophobicContact CB-CD1 3.62Å; F418-L427 HydrophobicContact CD1-CD1 3.51Å; F418-L427 HydrophobicContact CD1-CD2 3.95Å; F418-L427 HydrophobicContact CD1-CG 4.37Å; F418-L427 HydrophobicContact CE1-CD2 4.27Å; F418-L427 HydrophobicContact CG-CD1 3.99Å; F418-K430 HydrophobicContact CD1-CB 3.99Å; F418-K430 HydrophobicContact CD1-CD 4.41Å; F418-K430 HydrophobicContact CD1-CG 3.85Å; F418-K430 HydrophobicContact CE1-CB 3.99Å; F418-K430 HydrophobicContact CE1-CD 3.59Å; F418-K430 HydrophobicContact CE1-CG 3.48Å; F418-K430 VanDerWaalsContact CE1-CG 3.48Å; F418-K430 HydrophobicContact CZ-CD 4.08Å; F418-K430 VanDerWaalsContact CZ-CE 3.45Å; F418-K430 HydrophobicContact CZ-CG 4.1Å |
| 419 | I | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.3 | 174.3 | -52.9 | -57.4 | 0 | 0 | 0 | 107.2 | L406 G407 C408 V417 L427 I428 G429 L431 F459 L471 | L406-I419 HydrophobicContact CB-CG2 4.35Å; L406-I419 HydrophobicContact CD1-CG2 4.14Å; G407-I419 WeakPolarHBondContact O-CA 3.27Å; C408-I419 HydrophobicContact CB-CD1 4.19Å; V417-I419 HydrophobicContact CG1-CD1 4.33Å; I419-L427 WeakPolarHBondContact O-CD1 3.4Å; I419-I428 HydrophobicContact CG2-CB 4.25Å; I419-I428 HydrophobicContact CG2-CG2 4.44Å; I419-I428 PolarHBondContact O-N 3.49Å; I419-G429 PolarHBondContact N-O 2.88Å; I419-G429 PolarHBondContact O-N 3.4Å; I419-L431 HydrophobicContact CD1-CD1 4.21Å; I419-L431 HydrophobicContact CG1-CD1 3.84Å; I419-F459 HydrophobicContact CD1-CD2 4.01Å; I419-F459 HydrophobicContact CD1-CE2 4.02Å; I419-L471 HydrophobicContact CD1-CD2 3.7Å; I419-L471 HydrophobicContact CG1-CD2 3.82Å |
| 420 | I | 88.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.4 | -178.9 | 60.5 | 167.5 | 0 | 0 | 0 | 110.5 | I372 F391 L406 G407 L409 E426 L427 | I372-I420 HydrophobicContact CD1-CD1 3.54Å; I372-I420 HydrophobicContact CG1-CD1 4.36Å; I372-I420 HydrophobicContact CG2-CG2 4.43Å; F391-I420 HydrophobicContact CE2-CD1 4.14Å; L406-I420 WeakPolarHBondContact CA-O 3.47Å; G407-I420 PolarHBondContact N-O 3.42Å; G407-I420 WeakPolarHBondContact O-CG1 3.4Å; G407-I420 PolarHBondContact O-N 3.28Å; L409-I420 HydrophobicContact CD1-CD1 3.92Å; L409-I420 HydrophobicContact CD1-CG2 4.13Å; L409-I420 HydrophobicContact CG-CD1 4.06Å; I420-E426 WeakPolarHBondContact CA-O 3.38Å; I420-L427 HydrophobicContact CG2-CD1 4.19Å |
| 421 | E | 86.9 | Confident | 85.3 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121.8 | 162.6 | -174.7 | 166.2 | -149.4 | 0 | 0 | 108.9 | C404 L423 T424 G425 E426 I428 | C404-E421 HydrophobicContact CB-CG 4.34Å; C404-E421 WeakPolarHBondContact CB-OE1 3.43Å; E421-L423 VanDerWaalsContact C-N 3.3Å; E421-L423 PolarHBondContact O-N 3.37Å; E421-T424 VanDerWaalsContact CB-OG1 3.32Å; E421-T424 WeakPolarHBondContact CB-OG1 3.47Å; E421-T424 HydrophobicContact CG-CG2 4.16Å; E421-T424 WeakPolarHBondContact CG-OG1 3.34Å; E421-T424 VanDerWaalsContact OE2-CG2 3.32Å; E421-T424 WeakPolarHBondContact OE2-CG2 3.41Å; E421-T424 PolarHBondContact OE2-OG1 2.91Å; E421-G425 VanDerWaalsContact O-CA 3.3Å; E421-G425 WeakPolarHBondContact O-CA 3.41Å; E421-G425 PolarHBondContact O-N 2.95Å; E421-E426 PolarHBondContact N-O 3.04Å; E421-I428 HydrophobicContact CB-CD1 3.79Å; E421-I428 HydrophobicContact CB-CG1 4.3Å |
| 422 | V | 82.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31.4 | -173.9 | 170.6 | 0 | 0 | 0 | 0 | 112.7 | Y331 L350 F391 L393 L405 | Y331-V422 HydrophobicContact CD1-CG1 3.55Å; Y331-V422 HydrophobicContact CE1-CG1 3.23Å; Y331-V422 HydrophobicContact CG-CG1 4.49Å; L350-V422 HydrophobicContact CD2-CB 4.45Å; L350-V422 HydrophobicContact CD2-CG1 3.81Å; F391-V422 HydrophobicContact CZ-CG2 4.49Å; L393-V422 HydrophobicContact CD2-CG2 3.69Å; L405-V422 HydrophobicContact CB-CB 4.29Å; L405-V422 HydrophobicContact CD2-CB 4.09Å; L405-V422 HydrophobicContact CD2-CG1 3.94Å; L405-V422 HydrophobicContact CD2-CG2 4.16Å; L405-V422 HydrophobicContact CG-CB 4.12Å; L405-V422 HydrophobicContact CG-CG2 3.95Å; L405-V422 WeakPolarHBondContact O-CB 3.28Å; L405-V422 WeakPolarHBondContact O-CG2 3.08Å; L405-V422 PolarHBondContact O-N 3.31Å |
| 423 | L | 76.1 | Confident | 85.5 | Confident | 63 Ų | 63 | 25.5 Ų | 25.5 | 33% | 0.33 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -37.2 | -178.3 | -71.5 | 173.9 | 0 | 0 | 0 | 113.2 | N368 V370 E421 | N368-L423 PolarHBondContact ND2-O 2.89Å; V370-L423 WeakPolarHBondContact CG2-O 3.46Å; E421-L423 VanDerWaalsContact C-N 3.3Å; E421-L423 PolarHBondContact O-N 3.37Å |
| 424 | T | 78.9 | Confident | 85.7 | Confident | 36 Ų | 36 | 23 Ų | 23 | 22% | 0.221 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -22.1 | -170.4 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | V370 E421 E426 E606 | V370-T424 VanDerWaalsContact CG1-O 3.28Å; V370-T424 WeakPolarHBondContact CG1-O 3.3Å; E421-T424 VanDerWaalsContact CB-OG1 3.32Å; E421-T424 WeakPolarHBondContact CB-OG1 3.47Å; E421-T424 HydrophobicContact CG-CG2 4.16Å; E421-T424 WeakPolarHBondContact CG-OG1 3.34Å; E421-T424 VanDerWaalsContact OE2-CG2 3.32Å; E421-T424 WeakPolarHBondContact OE2-CG2 3.41Å; E421-T424 PolarHBondContact OE2-OG1 2.91Å; T424-E426 PolarHBondContact O-N 3.5Å; T424-E426 WeakPolarHBondContact OG1-CB 3.29Å; T424-E426 PolarHBondContact OG1-N 3.25Å; T424-E606 HydrophobicContact CG2-CB 4.14Å; T424-E606 HydrophobicContact CG2-CG 4.38Å; T424-E606 WeakPolarHBondContact CG2-OE2 3.16Å |
| 425 | G | 81.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | trans | 78.3 | 0.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V370 E421 | V370-G425 VanDerWaalsContact CG1-CA 3.42Å; E421-G425 VanDerWaalsContact O-CA 3.3Å; E421-G425 WeakPolarHBondContact O-CA 3.41Å; E421-G425 PolarHBondContact O-N 2.95Å | ||
| 426 | E | 83.9 | Confident | 84.9 | Confident | 94 Ų | 94 | 27.4 Ų | 27.4 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | trans | -64.3 | 135.2 | -178.7 | -164.1 | -169.3 | 145.5 | 0 | 0 | 110.4 | R25 I420 E421 T424 I428 | R25-E426 IonicContact NH2-OE1 3.92Å; R25-E426 PolarHBondContact NH2-OE1 2.94Å; I420-E426 WeakPolarHBondContact CA-O 3.38Å; E421-E426 PolarHBondContact N-O 3.04Å; T424-E426 PolarHBondContact O-N 3.5Å; T424-E426 WeakPolarHBondContact OG1-CB 3.29Å; T424-E426 PolarHBondContact OG1-N 3.25Å; E426-I428 PolarHBondContact O-N 3.15Å | ||
| 427 | L | 85.2 | Confident | 84 | Confident | 79 Ų | 79 | 30.9 Ų | 30.9 | 41% | 0.414 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 111.6 | 174.5 | -176.7 | 69.5 | 0 | 0 | 0 | 110.3 | F418 I419 I420 | F418-L427 HydrophobicContact CB-CD1 3.62Å; F418-L427 HydrophobicContact CD1-CD1 3.51Å; F418-L427 HydrophobicContact CD1-CD2 3.95Å; F418-L427 HydrophobicContact CD1-CG 4.37Å; F418-L427 HydrophobicContact CE1-CD2 4.27Å; F418-L427 HydrophobicContact CG-CD1 3.99Å; I419-L427 WeakPolarHBondContact O-CD1 3.4Å; I420-L427 HydrophobicContact CG2-CD1 4.19Å |
| 428 | I | 83.1 | Confident | 82.8 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -32.7 | -179.5 | -67.4 | 168.3 | 0 | 0 | 0 | 111.5 | R25 L27 L406 I419 E421 E426 F604 | R25-I428 HydrophobicContact CB-CG2 4.18Å; R25-I428 HydrophobicContact CG-CG2 3.9Å; L27-I428 HydrophobicContact CD1-CG2 3.9Å; L406-I428 HydrophobicContact CD2-CD1 3.16Å; I419-I428 HydrophobicContact CG2-CB 4.25Å; I419-I428 HydrophobicContact CG2-CG2 4.44Å; I419-I428 PolarHBondContact O-N 3.49Å; E421-I428 HydrophobicContact CB-CD1 3.79Å; E421-I428 HydrophobicContact CB-CG1 4.3Å; E426-I428 PolarHBondContact O-N 3.15Å; I428-F604 HydrophobicContact CD1-CE1 3.81Å; I428-F604 HydrophobicContact CD1-CZ 4.13Å; I428-F604 HydrophobicContact CG1-CE1 4.07Å; I428-F604 HydrophobicContact CG1-CZ 4.46Å |
| 429 | G | 86.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D20 I419 | D20-G429 CarbonylContact O-C 3.59Å; D20-G429 WeakPolarHBondContact O-CA 3.29Å; I419-G429 PolarHBondContact N-O 2.88Å; I419-G429 PolarHBondContact O-N 3.4Å |
| 430 | K | 88.6 | Confident | 80.4 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.2 | -169.8 | -177.4 | -173.3 | -161.8 | -176 | 0 | 110.5 | D20 V417 F418 E432 | D20-K430 HydrophobicContact CB-CB 4.32Å; D20-K430 PolarHBondContact N-O 2.77Å; D20-K430 PolarHBondContact O-N 3.34Å; V417-K430 CarbonylContact O-C 3.57Å; V417-K430 WeakPolarHBondContact O-CA 3.45Å; F418-K430 HydrophobicContact CD1-CB 3.99Å; F418-K430 HydrophobicContact CD1-CD 4.41Å; F418-K430 HydrophobicContact CD1-CG 3.85Å; F418-K430 HydrophobicContact CE1-CB 3.99Å; F418-K430 HydrophobicContact CE1-CD 3.59Å; F418-K430 HydrophobicContact CE1-CG 3.48Å; F418-K430 VanDerWaalsContact CE1-CG 3.48Å; F418-K430 HydrophobicContact CZ-CD 4.08Å; F418-K430 VanDerWaalsContact CZ-CE 3.45Å; F418-K430 HydrophobicContact CZ-CG 4.1Å; K430-E432 HydrophobicContact CD-CG 3.93Å; K430-E432 WeakPolarHBondContact CE-OE1 3.29Å; K430-E432 HydrophobicContact CG-CG 4.04Å; K430-E432 IonicContact NZ-OE1 3.81Å; K430-E432 PolarHBondContact NZ-OE1 3.1Å |
| 431 | L | 88.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.2 | 167.1 | -53.5 | 85.2 | 0 | 0 | 0 | 108.5 | V17 N18 V19 I21 V29 V417 I419 F433 F461 | V17-L431 HydrophobicContact CG1-CB 4.01Å; N18-L431 CarbonylContact O-C 3.48Å; N18-L431 WeakPolarHBondContact O-CA 3.31Å; V19-L431 HydrophobicContact CG2-CD2 4.38Å; V19-L431 HydrophobicContact CG2-CG 4.46Å; I21-L431 HydrophobicContact CD1-CD1 4.39Å; V29-L431 HydrophobicContact CG2-CD2 3.66Å; V417-L431 HydrophobicContact CB-CB 4.14Å; V417-L431 HydrophobicContact CB-CD1 4.44Å; V417-L431 HydrophobicContact CG1-CD1 4.21Å; V417-L431 PolarHBondContact N-O 3.35Å; V417-L431 PolarHBondContact O-N 3.01Å; I419-L431 HydrophobicContact CD1-CD1 4.21Å; I419-L431 HydrophobicContact CG1-CD1 3.84Å; L431-F433 HydrophobicContact CB-CE2 3.88Å; L431-F461 HydrophobicContact CD2-CD2 4.49Å; L431-F461 HydrophobicContact CD2-CE2 3.83Å; L431-F461 HydrophobicContact CD2-CZ 3.96Å |
| 432 | E | 87.5 | Confident | 78.4 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116 | 174.9 | -54.5 | -178.1 | 145.2 | 0 | 0 | 110.4 | V17 N18 K430 | V17-E432 WeakPolarHBondContact CA-O 3.47Å; N18-E432 HydrophobicContact CB-CB 4.15Å; N18-E432 PolarHBondContact N-O 2.68Å; N18-E432 PolarHBondContact ND2-OE2 2.94Å; N18-E432 PolarHBondContact O-N 3.19Å; K430-E432 HydrophobicContact CD-CG 3.93Å; K430-E432 WeakPolarHBondContact CE-OE1 3.29Å; K430-E432 HydrophobicContact CG-CG 4.04Å; K430-E432 IonicContact NZ-OE1 3.81Å; K430-E432 PolarHBondContact NZ-OE1 3.1Å |
| 433 | F | 87.3 | Confident | 77.8 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 166.5 | 168 | -61.4 | -97.6 | 0 | 0 | 0 | 109.5 | V17 G415 V417 L431 L447 F461 T463 | V17-F433 HydrophobicContact CB-CD1 4.35Å; V17-F433 HydrophobicContact CB-CE1 4.16Å; V17-F433 HydrophobicContact CB-CZ 4.46Å; V17-F433 HydrophobicContact CG1-CD1 4.09Å; V17-F433 HydrophobicContact CG1-CD2 4.12Å; V17-F433 HydrophobicContact CG1-CE1 3.86Å; V17-F433 HydrophobicContact CG1-CE2 3.87Å; V17-F433 HydrophobicContact CG1-CG 4.22Å; V17-F433 HydrophobicContact CG1-CZ 3.73Å; V17-F433 HydrophobicContact CG2-CD1 3.47Å; V17-F433 VanDerWaalsContact CG2-CD1 3.47Å; V17-F433 HydrophobicContact CG2-CE1 3.16Å; V17-F433 HydrophobicContact CG2-CG 4.36Å; V17-F433 HydrophobicContact CG2-CZ 3.84Å; G415-F433 WeakPolarHBondContact O-CB 3.26Å; G415-F433 WeakPolarHBondContact O-CD2 3.31Å; G415-F433 PolarHBondContact O-N 3.14Å; V417-F433 HydrophobicContact CG2-CD2 4.01Å; V417-F433 HydrophobicContact CG2-CE2 3.83Å; L431-F433 HydrophobicContact CB-CE2 3.88Å; F433-L447 HydrophobicContact CB-CB 3.88Å; F433-L447 HydrophobicContact CD1-CB 4.21Å; F433-L447 HydrophobicContact CD1-CD1 4.32Å; F433-L447 HydrophobicContact CD2-CB 4.19Å; F433-L447 HydrophobicContact CD2-CD1 4.39Å; F433-L447 HydrophobicContact CD2-CD2 3.98Å; F433-L447 HydrophobicContact CD2-CG 4.43Å; F433-L447 HydrophobicContact CE1-CD1 4.15Å; F433-L447 HydrophobicContact CE2-CD1 4.25Å; F433-L447 HydrophobicContact CE2-CD2 4.21Å; F433-L447 HydrophobicContact CG-CB 3.84Å; F433-L447 HydrophobicContact CG-CD1 4.44Å; F433-L447 HydrophobicContact CG-CD2 4.48Å; F433-L447 HydrophobicContact CG-CG 4.49Å; F433-L447 HydrophobicContact CZ-CD1 4.14Å; F433-F461 HydrophobicContact CE1-CB 4.19Å; F433-F461 HydrophobicContact CE2-CD1 4.3Å; F433-F461 HydrophobicContact CE2-CG 4.39Å; F433-F461 HydrophobicContact CZ-CB 3.75Å; F433-F461 HydrophobicContact CZ-CD1 4.13Å; F433-F461 HydrophobicContact CZ-CD2 4.24Å; F433-F461 AromaticContact CZ-CG 3.77Å; F433-F461 HydrophobicContact CZ-CG 3.77Å; F433-T463 HydrophobicContact CD1-CG2 3.79Å; F433-T463 HydrophobicContact CE1-CG2 3.73Å |
| 434 | A | 82.8 | Confident | 77.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 12% | 0.116 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 137.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | C443 Q445 S446 | A434-C443 HydrophobicContact CB-CB 3.78Å; A434-C443 WeakPolarHBondContact CB-SG 3.4Å; A434-Q445 HydrophobicContact CB-CB 3.73Å; A434-Q445 PolarHBondContact N-O 2.94Å; A434-S446 WeakPolarHBondContact O-CA 3.39Å; A434-S446 VanDerWaalsContact O-CB 3.32Å; A434-S446 WeakPolarHBondContact O-CB 3.5Å |
| 435 | P | 79.5 | Confident | 77.4 | Confident | 66 Ų | 66 | 58 Ų | 58 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 146.7 | 178.5 | 26.7 | -34.3 | 0 | 0 | 0 | 111.5 | R413 L437 | R413-P435 WeakPolarHBondContact O-CA 3.44Å; P435-L437 HydrophobicContact CG-CD1 4.32Å; P435-L437 PolarHBondContact O-N 3.49Å |
| 436 | N | 73.7 | Confident | 77.5 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | trans | -91.6 | 95 | 171.2 | -78.1 | -48.6 | 0 | 0 | 0 | 109.3 | L412 R413 S446 L447 | L412-N436 PolarHBondContact O-ND2 2.97Å; R413-N436 PolarHBondContact O-N 3.38Å; N436-S446 WeakPolarHBondContact OD1-CB 3.09Å; N436-S446 PolarHBondContact OD1-OG 3.49Å; N436-L447 PolarHBondContact ND2-O 2.91Å | ||
| 437 | L | 69.7 | Low | 77.6 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | trans | -76.8 | 132.5 | 175.5 | -71 | 117 | 0 | 0 | 0 | 110.9 | P435 Q440 | P435-L437 HydrophobicContact CG-CD1 4.32Å; P435-L437 PolarHBondContact O-N 3.49Å; L437-Q440 HydrophobicContact CB-CB 4.36Å; L437-Q440 HydrophobicContact CB-CG 4.47Å; L437-Q440 PolarHBondContact O-N 2.96Å | ||
| 438 | P | 65.5 | Low | 77.6 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 142.2 | 176.1 | 24.6 | -31.7 | 0 | 0 | 0 | 110.7 | Q440 | P438-Q440 PolarHBondContact O-N 3.26Š|
| 439 | N | 67.2 | Low | 77.8 | Confident | 160 Ų | 160 | 50.7 Ų | 50.7 | 86% | 0.856 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 10 | 178.6 | -51.8 | -36.3 | 0 | 0 | 0 | 116.4 | ||
| 440 | Q | 65.2 | Low | 78 | Confident | 122 Ų | 122 | 51 Ų | 51 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -107.3 | 149.5 | 168.6 | -71 | -173.6 | -8.5 | 0 | 0 | 110.4 | L437 P438 | L437-Q440 HydrophobicContact CB-CB 4.36Å; L437-Q440 HydrophobicContact CB-CG 4.47Å; L437-Q440 PolarHBondContact O-N 2.96Å; P438-Q440 PolarHBondContact O-N 3.26Å |
| 441 | P | 64 | Low | 77.7 | Confident | 114 Ų | 114 | 48.8 Ų | 48.8 | 74% | 0.74 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 136.3 | 170.6 | 25.4 | -32.7 | 0 | 0 | 0 | 109.1 | C443 | P441-C443 PolarHBondContact O-N 3.43Š|
| 442 | P | 67.8 | Low | 77.3 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 132.1 | -174.4 | 22.1 | -31.6 | 0 | 0 | 0 | 110.9 | ||
| 443 | C | 70.8 | Confident | 76.2 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 31% | 0.311 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 140.4 | 175.4 | -177 | 0 | 0 | 0 | 0 | 109.3 | A434 P441 Q445 S446 | A434-C443 HydrophobicContact CB-CB 3.78Å; A434-C443 WeakPolarHBondContact CB-SG 3.4Å; P441-C443 PolarHBondContact O-N 3.43Å; C443-Q445 PolarHBondContact O-N 3.48Å; C443-S446 WeakPolarHBondContact O-CB 3.28Å; C443-S446 PolarHBondContact O-N 2.84Å; C443-S446 PolarHBondContact O-OG 3.43Å |
| 444 | P | 70.6 | Confident | 75.3 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -34.2 | 177.7 | -29.8 | 34 | 0 | 0 | 0 | 114.9 | Q465 F466 | P444-Q465 HydrophobicContact CB-CB 3.92Å; P444-Q465 VanDerWaalsContact CB-CD 3.48Å; P444-Q465 HydrophobicContact CB-CG 3.96Å; P444-Q465 PolarHBondContact O-N 3.44Å; P444-F466 HydrophobicContact CB-CD2 4.46Å; P444-F466 HydrophobicContact CB-CE2 3.58Å; P444-F466 HydrophobicContact CB-CZ 3.98Å; P444-F466 WeakPolarHBondContact O-CD2 3.46Å |
| 445 | Q | 77.2 | Confident | 74.3 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.5 | -176 | -61.7 | 171.9 | -23.3 | 0 | 0 | 113.3 | S15 A434 C443 F466 | S15-Q445 PolarHBondContact O-NE2 3.29Å; A434-Q445 HydrophobicContact CB-CB 3.73Å; A434-Q445 PolarHBondContact N-O 2.94Å; C443-Q445 PolarHBondContact O-N 3.48Å; Q445-F466 HydrophobicContact CB-CE2 4.32Å; Q445-F466 HydrophobicContact CG-CD2 4.04Å; Q445-F466 HydrophobicContact CG-CE2 3.46Å; Q445-F466 VanDerWaalsContact CG-CE2 3.46Å; Q445-F466 HydrophobicContact CG-CZ 4.44Å |
| 446 | S | 83.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 141.6 | -173.6 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | A434 N436 C443 T463 C464 | A434-S446 WeakPolarHBondContact O-CA 3.39Å; A434-S446 VanDerWaalsContact O-CB 3.32Å; A434-S446 WeakPolarHBondContact O-CB 3.5Å; N436-S446 WeakPolarHBondContact OD1-CB 3.09Å; N436-S446 PolarHBondContact OD1-OG 3.49Å; C443-S446 WeakPolarHBondContact O-CB 3.28Å; C443-S446 PolarHBondContact O-N 2.84Å; C443-S446 PolarHBondContact O-OG 3.43Å; S446-T463 VanDerWaalsContact O-CA 3.26Å; S446-T463 WeakPolarHBondContact O-CA 3.43Å; S446-C464 PolarHBondContact O-N 3.36Å; S446-C464 VanDerWaalsContact O-N 3.07Å; S446-C464 PolarHBondContact OG-SG 2.92Å |
| 447 | L | 86.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125.3 | -179.6 | -175.9 | 65.3 | 0 | 0 | 0 | 109.6 | L412 V417 F433 N436 I450 F461 | L412-L447 HydrophobicContact CD2-CD2 3.88Å; L412-L447 HydrophobicContact CD2-CG 3.87Å; V417-L447 HydrophobicContact CG2-CD2 3.57Å; F433-L447 HydrophobicContact CB-CB 3.88Å; F433-L447 HydrophobicContact CD1-CB 4.21Å; F433-L447 HydrophobicContact CD1-CD1 4.32Å; F433-L447 HydrophobicContact CD2-CB 4.19Å; F433-L447 HydrophobicContact CD2-CD1 4.39Å; F433-L447 HydrophobicContact CD2-CD2 3.98Å; F433-L447 HydrophobicContact CD2-CG 4.43Å; F433-L447 HydrophobicContact CE1-CD1 4.15Å; F433-L447 HydrophobicContact CE2-CD1 4.25Å; F433-L447 HydrophobicContact CE2-CD2 4.21Å; F433-L447 HydrophobicContact CG-CB 3.84Å; F433-L447 HydrophobicContact CG-CD1 4.44Å; F433-L447 HydrophobicContact CG-CD2 4.48Å; F433-L447 HydrophobicContact CG-CG 4.49Å; F433-L447 HydrophobicContact CZ-CD1 4.14Å; N436-L447 PolarHBondContact ND2-O 2.91Å; L447-I450 HydrophobicContact CD1-CG1 4.42Å; L447-I450 HydrophobicContact CD2-CD1 4.01Å; L447-I450 HydrophobicContact CD2-CG1 4.02Å; L447-F461 HydrophobicContact CD1-CB 3.75Å; L447-F461 HydrophobicContact CD1-CD1 4.32Å; L447-F461 HydrophobicContact CD1-CG 4.5Å |
| 448 | I | 84.9 | Confident | 74.1 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -48.4 | 176.8 | -63.5 | 169.8 | 0 | 0 | 0 | 110.4 | L44 A52 L412 L462 C464 | L44-I448 HydrophobicContact CD1-CD1 3.82Å; L44-I448 HydrophobicContact CD2-CD1 3.71Å; L44-I448 HydrophobicContact CG-CD1 4.33Å; A52-I448 HydrophobicContact CB-CG2 3.88Å; L412-I448 WeakPolarHBondContact CD1-O 3.41Å; I448-L462 HydrophobicContact CB-CD2 4.25Å; I448-L462 HydrophobicContact CB-CG 4.31Å; I448-L462 HydrophobicContact CD1-CD2 4.15Å; I448-L462 HydrophobicContact CD1-CG 4.15Å; I448-L462 HydrophobicContact CG2-CD2 4.29Å; I448-L462 PolarHBondContact N-O 3.02Å; I448-C464 HydrophobicContact CD1-CB 4.3Å; I448-C464 WeakPolarHBondContact CG1-SG 3.38Å |
| 449 | T | 87.6 | Confident | 75.1 | Confident | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 164 | -174.2 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | A52 F54 L462 | A52-T449 HydrophobicContact CB-CG2 3.51Å; A52-T449 WeakPolarHBondContact O-CB 3.28Å; A52-T449 WeakPolarHBondContact O-CG2 3.32Å; A52-T449 PolarHBondContact O-OG1 3.45Å; A52-T449 VanDerWaalsContact O-OG1 3.12Å; F54-T449 HydrophobicContact CD2-CG2 4.14Å; F54-T449 HydrophobicContact CE2-CG2 3.7Å; T449-L462 HydrophobicContact CG2-CB 3.97Å; T449-L462 HydrophobicContact CG2-CD2 4.16Å; T449-L462 PolarHBondContact O-N 3.26Å |
| 450 | I | 88.8 | Confident | 76.1 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.8 | 174.7 | -49.1 | -172.4 | 0 | 0 | 0 | 108.5 | Y410 V417 L447 F459 I460 F461 | Y410-I450 HydrophobicContact CD1-CD1 3.57Å; Y410-I450 HydrophobicContact CD1-CG1 4.46Å; Y410-I450 HydrophobicContact CD2-CD1 3.61Å; Y410-I450 HydrophobicContact CD2-CG1 4.07Å; Y410-I450 HydrophobicContact CE1-CB 4.47Å; Y410-I450 HydrophobicContact CE1-CD1 4.05Å; Y410-I450 HydrophobicContact CE2-CD1 4.12Å; Y410-I450 HydrophobicContact CE2-CG1 4.16Å; Y410-I450 HydrophobicContact CG-CD1 3.31Å; Y410-I450 HydrophobicContact CG-CG1 4.23Å; V417-I450 HydrophobicContact CG1-CD1 4.21Å; V417-I450 HydrophobicContact CG2-CD1 3.88Å; L447-I450 HydrophobicContact CD1-CG1 4.42Å; L447-I450 HydrophobicContact CD2-CD1 4.01Å; L447-I450 HydrophobicContact CD2-CG1 4.02Å; I450-F459 HydrophobicContact CG2-CB 4.11Å; I450-F459 HydrophobicContact CG2-CD1 4.44Å; I450-I460 CarbonylContact C-O 3.47Å; I450-I460 VanDerWaalsContact CA-O 3.3Å; I450-I460 WeakPolarHBondContact CA-O 3.49Å; I450-F461 HydrophobicContact CD1-CD1 3.97Å; I450-F461 HydrophobicContact CD1-CE1 4Å; I450-F461 HydrophobicContact CG1-CD1 3.97Å; I450-F461 HydrophobicContact CG1-CE1 4.42Å; I450-F461 HydrophobicContact CG2-CD1 4Å; I450-F461 HydrophobicContact CG2-CE1 4Å |
| 451 | G | 83 | Confident | 77.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F54 F459 I460 | F54-G451 VanDerWaalsContact CE2-N 3.31Å; G451-F459 CarbonylContact O-C 3.51Å; G451-F459 VanDerWaalsContact O-CA 3.29Å; G451-F459 WeakPolarHBondContact O-CA 3.43Å; G451-I460 PolarHBondContact N-O 3.44Å; G451-I460 PolarHBondContact O-N 3Å |
| 452 | N | 79.5 | Confident | 78.4 | Confident | 44 Ų | 44 | 22.1 Ų | 22.1 | 24% | 0.235 | 13% | 0.126 | C | C | . | . | trans | -129.4 | 5.5 | 177.7 | 61 | -15.6 | 0 | 0 | 0 | 112.1 | L393 T395 D454 | L393-N452 VanDerWaalsContact O-CB 3.23Å; L393-N452 WeakPolarHBondContact O-CB 3.36Å; L393-N452 PolarHBondContact O-ND2 2.77Å; T395-N452 VanDerWaalsContact CB-O 3.31Å; T395-N452 WeakPolarHBondContact CB-O 3.42Å; T395-N452 WeakPolarHBondContact CG2-O 3.3Å; T395-N452 PolarHBondContact N-O 3.1Å; T395-N452 VanDerWaalsContact N-O 3.15Å; T395-N452 PolarHBondContact OG1-O 3.48Å; N452-D454 VanDerWaalsContact C-N 3.3Å; N452-D454 PolarHBondContact O-N 3.44Å | ||
| 453 | T | 66.2 | Low | 79.2 | Confident | 37 Ų | 37 | 20.8 Ų | 20.8 | 23% | 0.227 | 12% | 0.117 | C | C | . | . | trans | -82 | -2.8 | -168.5 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | F54 F55 | F54-T453 HydrophobicContact CB-CG2 4.36Å; F55-T453 PolarHBondContact O-OG1 3Å; F55-T453 VanDerWaalsContact O-OG1 3.07Å | ||
| 454 | D | 66.6 | Low | 79.5 | Confident | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | trans | -86.1 | 146.3 | 180 | -162 | -25.7 | 0 | 0 | 0 | 110.8 | I74 T395 N452 H456 N457 I460 | I74-D454 VanDerWaalsContact CD1-OD2 3.23Å; I74-D454 WeakPolarHBondContact CD1-OD2 3.47Å; T395-D454 PolarHBondContact OG1-O 3.31Å; N452-D454 VanDerWaalsContact C-N 3.3Å; N452-D454 PolarHBondContact O-N 3.44Å; D454-H456 PolarHBondContact OD1-N 2.92Å; D454-N457 HydrophobicContact CB-CB 3.98Å; D454-N457 PolarHBondContact OD2-ND2 3.33Å; D454-I460 HydrophobicContact CB-CD1 3.78Å | ||
| 455 | V | 63.3 | Low | 79.7 | Confident | 57 Ų | 57 | 19.3 Ų | 19.3 | 35% | 0.345 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -76.5 | -33.4 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | S397 V398 L401 | S397-V455 WeakPolarHBondContact OG-CA 3.16Å; V398-V455 HydrophobicContact CG2-CG1 3.52Å; L401-V455 VanDerWaalsContact CD1-O 3.22Å; L401-V455 WeakPolarHBondContact CD1-O 3.35Å |
| 456 | H | 63.1 | Low | 79.3 | Confident | 53 Ų | 53 | 18.1 Ų | 18.1 | 25% | 0.245 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -101.9 | -19.6 | -172.8 | -57 | -71.8 | 0 | 0 | 0 | 113.8 | L401 D454 L542 | L401-H456 WeakPolarHBondContact CD2-O 3.34Å; D454-H456 PolarHBondContact OD1-N 2.92Å; H456-L542 HydrophobicContact CB-CD1 4.37Å |
| 457 | N | 74.2 | Confident | 79.1 | Confident | 21 Ų | 21 | 18.1 Ų | 18.1 | 11% | 0.112 | 10% | 0.095 | C | C | . | . | trans | -107.4 | 129.2 | 179.8 | -61.8 | -49.8 | 0 | 0 | 0 | 109.3 | D454 I460 S470 T472 | D454-N457 HydrophobicContact CB-CB 3.98Å; D454-N457 PolarHBondContact OD2-ND2 3.33Å; N457-I460 HydrophobicContact CB-CD1 4.08Å; N457-I460 HydrophobicContact CB-CG1 3.76Å; N457-S470 WeakPolarHBondContact OD1-CB 3.47Å; N457-T472 HydrophobicContact CB-CG2 4.2Å; N457-T472 WeakPolarHBondContact OD1-CG2 3.5Å | ||
| 458 | L | 80.3 | Confident | 79 | Confident | 6 Ų | 6 | 18.1 Ų | 18.1 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -63.7 | -50.1 | 176.5 | -67.5 | 163.8 | 0 | 0 | 0 | 110 | L27 P394 L401 L406 L471 P473 | L27-L458 HydrophobicContact CD2-CD1 3.65Å; P394-L458 HydrophobicContact CB-CD2 4.16Å; P394-L458 HydrophobicContact CG-CD2 4.37Å; L401-L458 HydrophobicContact CB-CD2 4.43Å; L401-L458 HydrophobicContact CD2-CD2 4.33Å; L401-L458 HydrophobicContact CD2-CG 4.47Å; L406-L458 HydrophobicContact CD1-CD1 3.97Å; L458-L471 WeakPolarHBondContact CB-O 3.49Å; L458-L471 PolarHBondContact N-O 3.45Å; L458-P473 HydrophobicContact CD1-CG 4Å; L458-P473 HydrophobicContact CG-CG 4.31Å |
| 459 | F | 87.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.4 | 178.1 | -54.4 | -71.5 | 0 | 0 | 0 | 110.4 | C408 I419 I450 G451 F461 S470 L471 | C408-F459 HydrophobicContact CB-CD1 3.79Å; C408-F459 HydrophobicContact CB-CD2 4.16Å; C408-F459 HydrophobicContact CB-CE1 3.4Å; C408-F459 VanDerWaalsContact CB-CE1 3.4Å; C408-F459 HydrophobicContact CB-CE2 3.81Å; C408-F459 HydrophobicContact CB-CG 4.16Å; C408-F459 HydrophobicContact CB-CZ 3.42Å; C408-F459 VanDerWaalsContact CB-CZ 3.42Å; I419-F459 HydrophobicContact CD1-CD2 4.01Å; I419-F459 HydrophobicContact CD1-CE2 4.02Å; I450-F459 HydrophobicContact CG2-CB 4.11Å; I450-F459 HydrophobicContact CG2-CD1 4.44Å; G451-F459 CarbonylContact O-C 3.51Å; G451-F459 VanDerWaalsContact O-CA 3.29Å; G451-F459 WeakPolarHBondContact O-CA 3.43Å; F459-F461 HydrophobicContact CB-CE1 4.08Å; F459-F461 HydrophobicContact CB-CE2 4.43Å; F459-F461 HydrophobicContact CB-CZ 3.81Å; F459-S470 CarbonylContact O-C 3.56Å; F459-S470 VanDerWaalsContact O-CA 3.25Å; F459-S470 WeakPolarHBondContact O-CA 3.47Å; F459-L471 HydrophobicContact CB-CB 4.35Å; F459-L471 HydrophobicContact CD2-CB 4.43Å; F459-L471 HydrophobicContact CD2-CD2 3.91Å; F459-L471 HydrophobicContact CE2-CD2 4.48Å; F459-L471 PolarHBondContact N-O 3.4Å; F459-L471 PolarHBondContact O-N 3.36Å |
| 460 | I | 87.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123 | 175.5 | -56.9 | -179.5 | 0 | 0 | 0 | 108.6 | F54 Y73 I450 G451 D454 N457 L468 C469 | F54-I460 HydrophobicContact CE1-CB 4.26Å; F54-I460 HydrophobicContact CE1-CG2 3.83Å; F54-I460 HydrophobicContact CZ-CB 4.06Å; F54-I460 HydrophobicContact CZ-CG2 3.65Å; Y73-I460 HydrophobicContact CE2-CD1 3.51Å; Y73-I460 WeakPolarHBondContact OH-CD1 3.46Å; I450-I460 CarbonylContact C-O 3.47Å; I450-I460 VanDerWaalsContact CA-O 3.3Å; I450-I460 WeakPolarHBondContact CA-O 3.49Å; G451-I460 PolarHBondContact N-O 3.44Å; G451-I460 PolarHBondContact O-N 3Å; D454-I460 HydrophobicContact CB-CD1 3.78Å; N457-I460 HydrophobicContact CB-CD1 4.08Å; N457-I460 HydrophobicContact CB-CG1 3.76Å; I460-L468 HydrophobicContact CG2-CB 4.42Å; I460-L468 HydrophobicContact CG2-CD2 3.78Å; I460-C469 CarbonylContact C-O 3.57Å; I460-C469 WeakPolarHBondContact CA-O 3.21Å; I460-C469 WeakPolarHBondContact CG2-O 3.37Å |
| 461 | F | 88.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.3 | -179.5 | -46 | -75.8 | 0 | 0 | 0 | 109.7 | V417 L431 F433 L447 I450 F459 L468 C469 L471 | V417-F461 HydrophobicContact CG1-CE1 4.03Å; L431-F461 HydrophobicContact CD2-CD2 4.49Å; L431-F461 HydrophobicContact CD2-CE2 3.83Å; L431-F461 HydrophobicContact CD2-CZ 3.96Å; F433-F461 HydrophobicContact CE1-CB 4.19Å; F433-F461 HydrophobicContact CE2-CD1 4.3Å; F433-F461 HydrophobicContact CE2-CG 4.39Å; F433-F461 HydrophobicContact CZ-CB 3.75Å; F433-F461 HydrophobicContact CZ-CD1 4.13Å; F433-F461 HydrophobicContact CZ-CD2 4.24Å; F433-F461 AromaticContact CZ-CG 3.77Å; F433-F461 HydrophobicContact CZ-CG 3.77Å; L447-F461 HydrophobicContact CD1-CB 3.75Å; L447-F461 HydrophobicContact CD1-CD1 4.32Å; L447-F461 HydrophobicContact CD1-CG 4.5Å; I450-F461 HydrophobicContact CD1-CD1 3.97Å; I450-F461 HydrophobicContact CD1-CE1 4Å; I450-F461 HydrophobicContact CG1-CD1 3.97Å; I450-F461 HydrophobicContact CG1-CE1 4.42Å; I450-F461 HydrophobicContact CG2-CD1 4Å; I450-F461 HydrophobicContact CG2-CE1 4Å; F459-F461 HydrophobicContact CB-CE1 4.08Å; F459-F461 HydrophobicContact CB-CE2 4.43Å; F459-F461 HydrophobicContact CB-CZ 3.81Å; F461-L468 WeakPolarHBondContact O-CA 3.41Å; F461-C469 HydrophobicContact CB-CB 4.39Å; F461-C469 HydrophobicContact CD2-CB 4.29Å; F461-C469 PolarHBondContact N-O 3.27Å; F461-C469 PolarHBondContact O-N 3.38Å; F461-L471 HydrophobicContact CE2-CB 3.78Å; F461-L471 HydrophobicContact CZ-CB 4.01Å |
| 462 | L | 88 | Confident | 78.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.2 | 171.9 | 176.9 | 67 | 0 | 0 | 0 | 109.9 | L36 A52 F54 L60 V62 I448 T449 L468 | L36-L462 HydrophobicContact CD1-CD1 4.15Å; L36-L462 HydrophobicContact CD2-CD1 3.73Å; L36-L462 HydrophobicContact CG-CD1 4.5Å; A52-L462 HydrophobicContact CB-CD2 3.43Å; A52-L462 VanDerWaalsContact CB-CD2 3.43Å; F54-L462 HydrophobicContact CZ-CB 4.39Å; L60-L462 HydrophobicContact CD2-CD1 4.44Å; L60-L462 HydrophobicContact CD2-CD2 4.4Å; V62-L462 HydrophobicContact CG2-CD2 4.09Å; I448-L462 HydrophobicContact CB-CD2 4.25Å; I448-L462 HydrophobicContact CB-CG 4.31Å; I448-L462 HydrophobicContact CD1-CD2 4.15Å; I448-L462 HydrophobicContact CD1-CG 4.15Å; I448-L462 HydrophobicContact CG2-CD2 4.29Å; I448-L462 PolarHBondContact N-O 3.02Å; T449-L462 HydrophobicContact CG2-CB 3.97Å; T449-L462 HydrophobicContact CG2-CD2 4.16Å; T449-L462 PolarHBondContact O-N 3.26Å; L462-L468 HydrophobicContact CB-CD2 3.99Å; L462-L468 HydrophobicContact CD1-CD2 3.73Å; L462-L468 HydrophobicContact CD1-CG 4.13Å; L462-L468 HydrophobicContact CG-CD2 4.44Å |
| 463 | T | 85.8 | Confident | 78 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 156.2 | 173.8 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | F433 S446 Q465 F466 G467 | F433-T463 HydrophobicContact CD1-CG2 3.79Å; F433-T463 HydrophobicContact CE1-CG2 3.73Å; S446-T463 VanDerWaalsContact O-CA 3.26Å; S446-T463 WeakPolarHBondContact O-CA 3.43Å; T463-Q465 VanDerWaalsContact C-N 3.32Å; T463-Q465 PolarHBondContact O-N 3.43Å; T463-F466 WeakPolarHBondContact OG1-CA 3.43Å; T463-F466 WeakPolarHBondContact OG1-CB 3.29Å; T463-F466 PolarHBondContact OG1-N 3.48Å; T463-G467 PolarHBondContact N-O 2.94Å; T463-G467 PolarHBondContact OG1-N 3.48Å; T463-G467 PolarHBondContact OG1-O 3.23Å |
| 464 | C | 77.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -35.6 | -177.3 | -76.2 | 0 | 0 | 0 | 0 | 114.9 | S446 I448 | S446-C464 PolarHBondContact O-N 3.36Å; S446-C464 VanDerWaalsContact O-N 3.07Å; S446-C464 PolarHBondContact OG-SG 2.92Å; I448-C464 HydrophobicContact CD1-CB 4.3Å; I448-C464 WeakPolarHBondContact CG1-SG 3.38Å |
| 465 | Q | 73.3 | Confident | 77.2 | Confident | 59 Ų | 59 | 16.9 Ų | 16.9 | 28% | 0.276 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -29.7 | -177.2 | -64 | -173.6 | 16.1 | 0 | 0 | 115.1 | L41 R45 P444 T463 G467 | L41-Q465 HydrophobicContact CD1-CB 4.46Å; R45-Q465 HydrophobicContact CG-CG 4.11Å; P444-Q465 HydrophobicContact CB-CB 3.92Å; P444-Q465 VanDerWaalsContact CB-CD 3.48Å; P444-Q465 HydrophobicContact CB-CG 3.96Å; P444-Q465 PolarHBondContact O-N 3.44Å; T463-Q465 VanDerWaalsContact C-N 3.32Å; T463-Q465 PolarHBondContact O-N 3.43Å; Q465-G467 VanDerWaalsContact C-N 3.29Å |
| 466 | F | 69.7 | Low | 76.2 | Confident | 41 Ų | 41 | 16 Ų | 16 | 18% | 0.18 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.2 | -177.9 | -59.1 | -67.4 | 0 | 0 | 0 | 113 | Y16 R31 P444 Q445 T463 | Y16-F466 HydrophobicContact CD1-CB 4.47Å; Y16-F466 AromaticContact CD1-CD1 3.34Å; Y16-F466 HydrophobicContact CD1-CD1 3.34Å; Y16-F466 AromaticContact CD1-CD2 3.5Å; Y16-F466 HydrophobicContact CD1-CD2 3.5Å; Y16-F466 VanDerWaalsContact CD1-CD2 3.5Å; Y16-F466 AromaticContact CD1-CE1 3.27Å; Y16-F466 HydrophobicContact CD1-CE1 3.27Å; Y16-F466 AromaticContact CD1-CE2 3.4Å; Y16-F466 HydrophobicContact CD1-CE2 3.4Å; Y16-F466 AromaticContact CD1-CG 3.47Å; Y16-F466 HydrophobicContact CD1-CG 3.47Å; Y16-F466 VanDerWaalsContact CD1-CG 3.47Å; Y16-F466 AromaticContact CD1-CZ 3.28Å; Y16-F466 HydrophobicContact CD1-CZ 3.28Å; Y16-F466 HydrophobicContact CD2-CD1 4.37Å; Y16-F466 HydrophobicContact CD2-CG 4.37Å; Y16-F466 AromaticContact CE1-CD1 3.22Å; Y16-F466 HydrophobicContact CE1-CD1 3.22Å; Y16-F466 HydrophobicContact CE1-CD2 4.23Å; Y16-F466 AromaticContact CE1-CE1 2.94Å; Y16-F466 HydrophobicContact CE1-CE1 2.94Å; Y16-F466 AromaticContact CE1-CE2 3.99Å; Y16-F466 HydrophobicContact CE1-CE2 3.99Å; Y16-F466 AromaticContact CE1-CG 3.88Å; Y16-F466 HydrophobicContact CE1-CG 3.88Å; Y16-F466 AromaticContact CE1-CZ 3.36Å; Y16-F466 HydrophobicContact CE1-CZ 3.36Å; Y16-F466 HydrophobicContact CE2-CD1 4.25Å; Y16-F466 HydrophobicContact CG-CB 4.3Å; Y16-F466 AromaticContact CG-CD1 3.93Å; Y16-F466 HydrophobicContact CG-CD1 3.93Å; Y16-F466 AromaticContact CG-CD2 3.9Å; Y16-F466 HydrophobicContact CG-CD2 3.9Å; Y16-F466 HydrophobicContact CG-CE1 4.29Å; Y16-F466 HydrophobicContact CG-CE2 4.24Å; Y16-F466 AromaticContact CG-CG 3.73Å; Y16-F466 HydrophobicContact CG-CG 3.73Å; Y16-F466 HydrophobicContact CG-CZ 4.42Å; Y16-F466 AromaticContact CZ-CD1 3.68Å; Y16-F466 AromaticContact CZ-CE1 3.74Å; R31-F466 PolarHBondContact NE-O 2.94Å; R31-F466 PolarHBondContact NH2-O 3.35Å; P444-F466 HydrophobicContact CB-CD2 4.46Å; P444-F466 HydrophobicContact CB-CE2 3.58Å; P444-F466 HydrophobicContact CB-CZ 3.98Å; P444-F466 WeakPolarHBondContact O-CD2 3.46Å; Q445-F466 HydrophobicContact CB-CE2 4.32Å; Q445-F466 HydrophobicContact CG-CD2 4.04Å; Q445-F466 HydrophobicContact CG-CE2 3.46Å; Q445-F466 VanDerWaalsContact CG-CE2 3.46Å; Q445-F466 HydrophobicContact CG-CZ 4.44Å; T463-F466 WeakPolarHBondContact OG1-CA 3.43Å; T463-F466 WeakPolarHBondContact OG1-CB 3.29Å; T463-F466 PolarHBondContact OG1-N 3.48Å |
| 467 | G | 78.2 | Confident | 75 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.4 | -141.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T463 Q465 | T463-G467 PolarHBondContact N-O 2.94Å; T463-G467 PolarHBondContact OG1-N 3.48Å; T463-G467 PolarHBondContact OG1-O 3.23Å; Q465-G467 VanDerWaalsContact C-N 3.29Å |
| 468 | L | 84.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.5 | -169 | -66.4 | 163.1 | 0 | 0 | 0 | 111.7 | V32 F54 L60 Y73 I460 F461 L462 | V32-L468 HydrophobicContact CB-CB 4.03Å; V32-L468 HydrophobicContact CG2-CB 4.48Å; V32-L468 PolarHBondContact N-O 3.05Å; F54-L468 HydrophobicContact CE1-CD2 3.93Å; F54-L468 HydrophobicContact CZ-CD2 3.69Å; L60-L468 HydrophobicContact CD2-CD1 4.23Å; L60-L468 HydrophobicContact CD2-CD2 4.05Å; Y73-L468 HydrophobicContact CD2-CD1 4.04Å; Y73-L468 HydrophobicContact CG-CD1 4.03Å; I460-L468 HydrophobicContact CG2-CB 4.42Å; I460-L468 HydrophobicContact CG2-CD2 3.78Å; F461-L468 WeakPolarHBondContact O-CA 3.41Å; L462-L468 HydrophobicContact CB-CD2 3.99Å; L462-L468 HydrophobicContact CD1-CD2 3.73Å; L462-L468 HydrophobicContact CD1-CG 4.13Å; L462-L468 HydrophobicContact CG-CD2 4.44Å |
| 469 | C | 84.5 | Confident | 70.9 | Confident | 14 Ų | 14 | 22.2 Ų | 22.2 | 10% | 0.095 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 152.1 | 167.7 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | V29 S30 I460 F461 | V29-C469 HydrophobicContact CG1-CB 4.39Å; S30-C469 CarbonylContact O-C 3.51Å; S30-C469 VanDerWaalsContact O-CA 3.28Å; S30-C469 WeakPolarHBondContact O-CA 3.41Å; I460-C469 CarbonylContact C-O 3.57Å; I460-C469 WeakPolarHBondContact CA-O 3.21Å; I460-C469 WeakPolarHBondContact CG2-O 3.37Å; F461-C469 HydrophobicContact CB-CB 4.39Å; F461-C469 HydrophobicContact CD2-CB 4.29Å; F461-C469 PolarHBondContact N-O 3.27Å; F461-C469 PolarHBondContact O-N 3.38Å |
| 470 | S | 84.8 | Confident | 68.3 | Low | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.2 | 176.1 | 44.3 | 0 | 0 | 0 | 0 | 110.3 | V29 S30 V32 N457 F459 | V29-S470 VanDerWaalsContact CA-O 3.31Å; V29-S470 WeakPolarHBondContact CA-O 3.15Å; S30-S470 PolarHBondContact N-O 2.88Å; S30-S470 PolarHBondContact O-N 3.46Å; S30-S470 PolarHBondContact O-OG 3.15Å; S30-S470 PolarHBondContact OG-OG 2.97Å; V32-S470 VanDerWaalsContact CG2-CB 3.46Å; V32-S470 WeakPolarHBondContact CG2-OG 3.36Å; N457-S470 WeakPolarHBondContact OD1-CB 3.47Å; F459-S470 CarbonylContact O-C 3.56Å; F459-S470 VanDerWaalsContact O-CA 3.25Å; F459-S470 WeakPolarHBondContact O-CA 3.47Å |
| 471 | L | 85.8 | Confident | 65.6 | Low | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 119.7 | 159.2 | -166.9 | 71.8 | 0 | 0 | 0 | 107.8 | I21 L27 V29 I419 L458 F459 F461 | I21-L471 HydrophobicContact CD1-CD1 3.88Å; L27-L471 HydrophobicContact CB-CD1 4.18Å; L27-L471 HydrophobicContact CD1-CD2 4.45Å; L27-L471 HydrophobicContact CD2-CD2 4.48Å; L27-L471 HydrophobicContact CD2-CG 4.41Å; V29-L471 HydrophobicContact CG2-CD1 3.67Å; I419-L471 HydrophobicContact CD1-CD2 3.7Å; I419-L471 HydrophobicContact CG1-CD2 3.82Å; L458-L471 WeakPolarHBondContact CB-O 3.49Å; L458-L471 PolarHBondContact N-O 3.45Å; F459-L471 HydrophobicContact CB-CB 4.35Å; F459-L471 HydrophobicContact CD2-CB 4.43Å; F459-L471 HydrophobicContact CD2-CD2 3.91Å; F459-L471 HydrophobicContact CE2-CD2 4.48Å; F459-L471 PolarHBondContact N-O 3.4Å; F459-L471 PolarHBondContact O-N 3.36Å; F461-L471 HydrophobicContact CE2-CB 3.78Å; F461-L471 HydrophobicContact CZ-CB 4.01Å |
| 472 | T | 76.5 | Confident | 63 | Low | 12 Ų | 12 | 33.5 Ų | 33.5 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.7 | 177.1 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | Q28 N457 C474 | Q28-T472 VanDerWaalsContact CG-OG1 3.31Å; Q28-T472 WeakPolarHBondContact CG-OG1 3.28Å; Q28-T472 PolarHBondContact N-O 3.08Å; Q28-T472 PolarHBondContact O-N 3.39Å; Q28-T472 PolarHBondContact O-OG1 3.11Å; N457-T472 HydrophobicContact CB-CG2 4.2Å; N457-T472 WeakPolarHBondContact OD1-CG2 3.5Å; T472-C474 PolarHBondContact O-N 3.48Å |
| 473 | P | 72.2 | Confident | 60.3 | Low | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 141 | 159.4 | -18.4 | 31.9 | 0 | 0 | 0 | 109.2 | M26 L401 Y402 L458 I475 F544 | M26-P473 CarbonylContact O-C 3.6Å; M26-P473 WeakPolarHBondContact O-CA 3.33Å; L401-P473 HydrophobicContact CD2-CG 3.96Å; L401-P473 HydrophobicContact CG-CG 4.45Å; L401-P473 VanDerWaalsContact O-CG 3.25Å; L401-P473 WeakPolarHBondContact O-CG 3.49Å; Y402-P473 HydrophobicContact CD2-CB 4.2Å; Y402-P473 HydrophobicContact CD2-CG 4.19Å; L458-P473 HydrophobicContact CD1-CG 4Å; L458-P473 HydrophobicContact CG-CG 4.31Å; P473-I475 PolarHBondContact O-N 2.98Å; P473-I475 VanDerWaalsContact O-N 3.14Å; P473-F544 HydrophobicContact CB-CZ 4.33Å |
| 474 | C | 62.7 | Low | 57.5 | Low | 26 Ų | 26 | 41.8 Ų | 41.8 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | trans | -61.1 | 118 | 168.4 | -69.2 | 0 | 0 | 0 | 0 | 107.8 | M26 T472 | M26-C474 HydrophobicContact CB-CB 4.14Å; M26-C474 HydrophobicContact CE-CB 4.32Å; M26-C474 PolarHBondContact O-N 3.17Å; T472-C474 PolarHBondContact O-N 3.48Å | ||
| 475 | I | 53.8 | Low | 55.4 | Low | 56 Ų | 56 | 44.6 Ų | 44.6 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | trans | -90 | 110.3 | 161.6 | -48.9 | 161.8 | 0 | 0 | 0 | 103 | P473 I477 L542 | P473-I475 PolarHBondContact O-N 2.98Å; P473-I475 VanDerWaalsContact O-N 3.14Å; I475-I477 PolarHBondContact O-N 3.42Å; I475-L542 HydrophobicContact CD1-CD2 3.19Å; I475-L542 HydrophobicContact CG1-CD2 3.38Å | ||
| 476 | D | 42.4 | Very low | 53.5 | Low | 39 Ų | 39 | 46.4 Ų | 46.4 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | trans | -65.8 | 87.3 | 174.4 | -71.8 | -16.9 | 0 | 0 | 0 | 108.5 | H478 T676 F677 Q678 | D476-H478 PolarHBondContact O-CD2 3.01Å; D476-H478 PolarHBondContact O-N 3.29Å; D476-T676 VanDerWaalsContact CB-O 3.22Å; D476-T676 WeakPolarHBondContact CB-O 3.4Å; D476-F677 WeakPolarHBondContact OD2-CA 3.34Å; D476-Q678 PolarHBondContact OD2-N 2.8Å | ||
| 477 | I | 36.7 | Very low | 51.6 | Low | 106 Ų | 106 | 49 Ų | 49 | 54% | 0.544 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 40.1 | -7.3 | 155.8 | -59.4 | 174.9 | 0 | 0 | 0 | 120 | I475 | I475-I477 PolarHBondContact O-N 3.42Š|
| 478 | H | 36.4 | Very low | 49.5 | Very low | 38 Ų | 38 | 52.1 Ų | 52.1 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -85.1 | -19.4 | -166.6 | -78.1 | -70.7 | 0 | 0 | 0 | 116.1 | D476 V480 V642 | D476-H478 PolarHBondContact O-CD2 3.01Å; D476-H478 PolarHBondContact O-N 3.29Å; H478-V480 VanDerWaalsContact C-N 3.3Å; H478-V480 PolarHBondContact O-N 3.25Å; H478-V642 WeakPolarHBondContact NE2-CG1 3.42Å |
| 479 | T | 33.2 | Very low | 47.1 | Very low | 66 Ų | 66 | 57 Ų | 57 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -81.6 | -0.2 | -175.2 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | D543 | T479-D543 HydrophobicContact CG2-CB 4.28Š|
| 480 | V | 31.9 | Very low | 44.7 | Very low | 72 Ų | 72 | 61.7 Ų | 61.7 | 44% | 0.436 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -99.6 | -7.6 | 179.6 | -166.3 | 0 | 0 | 0 | 0 | 113.4 | H478 N482 T483 | H478-V480 VanDerWaalsContact C-N 3.3Å; H478-V480 PolarHBondContact O-N 3.25Å; V480-N482 VanDerWaalsContact C-N 3.26Å; V480-N482 PolarHBondContact O-N 2.76Å; V480-T483 VanDerWaalsContact CG1-OG1 3.31Å; V480-T483 WeakPolarHBondContact CG1-OG1 3.41Å; V480-T483 PolarHBondContact O-N 2.99Å; V480-T483 PolarHBondContact O-OG1 2.99Å |
| 481 | S | 31.8 | Very low | 42.2 | Very low | 34 Ų | 34 | 68.8 Ų | 68.8 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.4 | -28.6 | -175.1 | 89.7 | 0 | 0 | 0 | 0 | 113.9 | T483 M484 | S481-T483 PolarHBondContact O-N 2.86Å; S481-M484 PolarHBondContact O-N 3.27Å |
| 482 | N | 32.9 | Very low | 39.8 | Very low | 132 Ų | 132 | 72.2 Ų | 72.2 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.4 | -6.6 | 175.4 | -88.6 | -4.7 | 0 | 0 | 0 | 114.1 | V480 | V480-N482 VanDerWaalsContact C-N 3.26Å; V480-N482 PolarHBondContact O-N 2.76Å |
| 483 | T | 32.3 | Very low | 37.6 | Very low | 36 Ų | 36 | 77.7 Ų | 77.7 | 22% | 0.221 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -111.4 | -17.4 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | V480 S481 C529 | V480-T483 VanDerWaalsContact CG1-OG1 3.31Å; V480-T483 WeakPolarHBondContact CG1-OG1 3.41Å; V480-T483 PolarHBondContact O-N 2.99Å; V480-T483 PolarHBondContact O-OG1 2.99Å; S481-T483 PolarHBondContact O-N 2.86Å; T483-C529 HydrophobicContact CG2-CB 3.87Å; T483-C529 WeakPolarHBondContact CG2-SG 3.26Å |
| 484 | M | 27.4 | Very low | 35.6 | Very low | 139 Ų | 139 | 84.7 Ų | 84.7 | 69% | 0.685 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -75.4 | -27.8 | 172.7 | -78.4 | -154.5 | 81.6 | 0 | 0 | 113.2 | S481 N486 Y487 A488 | S481-M484 PolarHBondContact O-N 3.27Å; M484-N486 VanDerWaalsContact C-N 3.27Å; M484-N486 PolarHBondContact O-N 3.43Å; M484-Y487 PolarHBondContact O-N 2.9Å; M484-A488 PolarHBondContact O-N 3.3Å |
| 485 | S | 32.2 | Very low | 33.9 | Very low | 61 Ų | 61 | 87.4 Ų | 87.4 | 43% | 0.427 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -31.3 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | A488 N489 | S485-A488 PolarHBondContact O-N 3.42Å; S485-N489 PolarHBondContact O-N 3.03Å |
| 486 | N | 32.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 92 Ų | 92 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.8 | -30.1 | 175.1 | -74.9 | -14.3 | 0 | 0 | 0 | 112.8 | M484 N489 E490 | M484-N486 VanDerWaalsContact C-N 3.27Å; M484-N486 PolarHBondContact O-N 3.43Å; N486-N489 PolarHBondContact O-N 3.31Å; N486-E490 PolarHBondContact O-N 3.26Å; N486-E490 VanDerWaalsContact O-N 3.08Å |
| 487 | Y | 30 | Very low | 31.9 | Very low | 97 Ų | 97 | 95 Ų | 95 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.3 | -33.3 | 175.2 | -86.1 | -74.6 | 0 | 0 | 0 | 113.2 | M484 N489 E490 L491 | M484-Y487 PolarHBondContact O-N 2.9Å; Y487-N489 VanDerWaalsContact C-N 3.29Å; Y487-N489 PolarHBondContact O-N 2.66Å; Y487-E490 PolarHBondContact O-N 3.11Å; Y487-L491 PolarHBondContact O-N 3.35Å; Y487-L491 VanDerWaalsContact O-N 3.16Å |
| 488 | A | 34 | Very low | 31.5 | Very low | 65 Ų | 65 | 96.6 Ų | 96.6 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.7 | -32.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | M484 S485 S492 | M484-A488 PolarHBondContact O-N 3.3Å; S485-A488 PolarHBondContact O-N 3.42Å; A488-S492 PolarHBondContact O-N 3.35Å; A488-S492 PolarHBondContact O-OG 3.16Å |
| 489 | N | 34.7 | Very low | 31 | Very low | 102 Ų | 102 | 99.8 Ų | 99.8 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.6 | -28.5 | 175.7 | -77.2 | -8.8 | 0 | 0 | 0 | 113.5 | S485 N486 Y487 S492 N493 | S485-N489 PolarHBondContact O-N 3.03Å; N486-N489 PolarHBondContact O-N 3.31Å; Y487-N489 VanDerWaalsContact C-N 3.29Å; Y487-N489 PolarHBondContact O-N 2.66Å; N489-S492 WeakPolarHBondContact CA-OG 3.44Å; N489-S492 PolarHBondContact O-N 2.88Å; N489-S492 PolarHBondContact O-OG 2.99Å; N489-S492 VanDerWaalsContact O-OG 3.11Å; N489-N493 PolarHBondContact O-N 3.34Å |
| 490 | E | 33.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 103.6 Ų | 103.6 | 52% | 0.523 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.9 | -29.5 | 171.7 | -81.5 | -172.7 | 168 | 0 | 0 | 112.9 | N486 Y487 S492 | N486-E490 PolarHBondContact O-N 3.26Å; N486-E490 VanDerWaalsContact O-N 3.08Å; Y487-E490 PolarHBondContact O-N 3.11Å; E490-S492 VanDerWaalsContact C-N 3.32Å; E490-S492 PolarHBondContact O-N 3.38Å |
| 491 | L | 33.4 | Very low | 30.4 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.8 | -23.8 | 172.3 | -102.4 | 93.6 | 0 | 0 | 0 | 113.6 | Y487 | Y487-L491 PolarHBondContact O-N 3.35Å; Y487-L491 VanDerWaalsContact O-N 3.16Å |
| 492 | S | 34.8 | Very low | 30.2 | Very low | 72 Ų | 72 | 112.9 Ų | 112.9 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -87.4 | -15.9 | 177.6 | 49 | 0 | 0 | 0 | 0 | 114.1 | A488 N489 E490 | A488-S492 PolarHBondContact O-N 3.35Å; A488-S492 PolarHBondContact O-OG 3.16Å; N489-S492 WeakPolarHBondContact CA-OG 3.44Å; N489-S492 PolarHBondContact O-N 2.88Å; N489-S492 PolarHBondContact O-OG 2.99Å; N489-S492 VanDerWaalsContact O-OG 3.11Å; E490-S492 VanDerWaalsContact C-N 3.32Å; E490-S492 PolarHBondContact O-N 3.38Å |
| 493 | N | 30.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -101.7 | 3.7 | -177.9 | -76.8 | -18.1 | 0 | 0 | 0 | 115.7 | N489 S495 | N489-N493 PolarHBondContact O-N 3.34Å; N493-S495 PolarHBondContact O-N 3.19Å; N493-S495 VanDerWaalsContact O-N 3.14Å |
| 494 | N | 29.6 | Very low | 29.5 | Very low | 152 Ų | 152 | 117.9 Ų | 117.9 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | trans | -85.7 | 51.9 | 160.1 | -78.8 | -16 | 0 | 0 | 0 | 110.6 | L496 | N494-L496 PolarHBondContact O-N 3.01Š| ||
| 495 | S | 27.5 | Very low | 29.5 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | trans | -74 | 82.5 | 163 | 67 | 0 | 0 | 0 | 0 | 108 | N493 V497 | N493-S495 PolarHBondContact O-N 3.19Å; N493-S495 VanDerWaalsContact O-N 3.14Å; S495-V497 PolarHBondContact O-N 3.49Å | ||
| 496 | L | 27.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 118.7 Ų | 118.7 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | trans | -71.8 | 81.1 | 161.2 | -166.8 | 75.3 | 0 | 0 | 0 | 106.8 | N494 D498 | N494-L496 PolarHBondContact O-N 3.01Å; L496-D498 VanDerWaalsContact C-N 3.27Å; L496-D498 PolarHBondContact O-N 3.28Å; L496-D498 VanDerWaalsContact O-N 3.09Å | ||
| 497 | V | 26.9 | Very low | 28.7 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 62% | 0.624 | 69% | 0.689 | S | S | * | * | trans | -74.5 | 85.4 | 168.9 | -177.1 | 0 | 0 | 0 | 0 | 106.3 | S495 T499 | S495-V497 PolarHBondContact O-N 3.49Å; V497-T499 VanDerWaalsContact C-N 3.28Å; V497-T499 HydrophobicContact CG1-CG2 3.98Å; V497-T499 PolarHBondContact O-N 2.94Å | ||
| 498 | D | 27.1 | Very low | 28.5 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -77.9 | 93.3 | 153.5 | -85.9 | -25.4 | 0 | 0 | 0 | 106.5 | L496 D500 | L496-D498 VanDerWaalsContact C-N 3.27Å; L496-D498 PolarHBondContact O-N 3.28Å; L496-D498 VanDerWaalsContact O-N 3.09Å; D498-D500 PolarHBondContact O-N 3.16Å | ||
| 499 | T | 25.6 | Very low | 28.2 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 64% | 0.638 | 73% | 0.725 | S | S | * | * | trans | -52.8 | 115.4 | 156.3 | 40.8 | 0 | 0 | 0 | 0 | 108.3 | V497 | V497-T499 VanDerWaalsContact C-N 3.28Å; V497-T499 HydrophobicContact CG1-CG2 3.98Å; V497-T499 PolarHBondContact O-N 2.94Å | ||
| 500 | D | 26.8 | Very low | 27.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | -168 | 145.8 | 108.9 | -91.7 | -25.7 | 0 | 0 | 0 | 112.4 | D498 | D498-D500 PolarHBondContact O-N 3.16Š| |||
| 501 | Q | 26 | Very low | 27.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -40.5 | 143.7 | 179.6 | -53.9 | 165.1 | 8 | 0 | 0 | 113.5 | ||||
| 502 | I | 27.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | 161.2 | 106.5 | 113 | -77.6 | 151.4 | 0 | 0 | 0 | 108 | L504 | I502-L504 HydrophobicContact CG2-CB 4.42Å; I502-L504 PolarHBondContact O-N 3.24Å | |||
| 503 | S | 24.9 | Very low | 26.6 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -53.7 | 120.9 | 149.1 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 504 | L | 27.5 | Very low | 26.3 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -169.8 | 125.3 | 142.7 | -99.2 | 158.8 | 0 | 0 | 0 | 109.8 | I502 | I502-L504 HydrophobicContact CG2-CB 4.42Å; I502-L504 PolarHBondContact O-N 3.24Å | ||
| 505 | T | 26.6 | Very low | 26.1 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -52.1 | 135.9 | 170 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 506 | G | 23.5 | Very low | 26.1 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 126.1 | 124.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 507 | S | 25.3 | Very low | 25.8 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 96.5 | 87.1 | 157.7 | -152.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 508 | E | 25.8 | Very low | 25.6 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | 23.1 | 110.1 | 126.2 | -58.8 | -177.8 | 171.1 | 0 | 0 | 117.8 | |||||
| 509 | V | 27.7 | Very low | 25.3 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -150.5 | 112.5 | 132.5 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 510 | S | 23.2 | Very low | 25.2 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | trans | 3.5 | 122.7 | 154.9 | 62.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 511 | M | 24.3 | Very low | 25 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | 33.7 | 118.9 | 117.5 | -61.2 | -70.4 | -114.7 | 0 | 0 | 118.5 | |||||
| 512 | N | 25.3 | Very low | 24.9 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | 166.7 | 108.1 | 117.8 | -84 | -25.3 | 0 | 0 | 0 | 112.8 | |||||
| 513 | K | 28.8 | Very low | 24.7 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | 174.8 | 92 | 126.1 | -98.7 | 170.1 | 178 | 175.1 | 0 | 111.3 | T515 | K513-T515 PolarHBondContact O-N 2.84Š| |||
| 514 | T | 24.7 | Very low | 24.6 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | 12.4 | 97 | 139.3 | 52.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 515 | T | 26.9 | Very low | 24.5 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -120.4 | 96.3 | 151 | -54.6 | 0 | 0 | 0 | 0 | 106.6 | K513 M517 | K513-T515 PolarHBondContact O-N 2.84Å; T515-M517 PolarHBondContact O-N 2.78Å | ||
| 516 | T | 26.2 | Very low | 24.5 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -55.5 | 129.6 | 174.7 | 32.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 517 | M | 21.6 | Very low | 24.5 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 135.4 | -176.4 | -65.4 | 177.9 | 84.5 | 0 | 0 | 113.6 | T515 | T515-M517 PolarHBondContact O-N 2.78Š| ||
| 518 | M | 21.9 | Very low | 24.5 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | 2.8 | 115.5 | 138.3 | -65.5 | 177.5 | -178 | 0 | 0 | 116.7 | ||||
| 519 | M | 21.2 | Very low | 24.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -116.1 | 114.2 | 145 | -84 | -152.1 | -177.5 | 0 | 0 | 109.4 | K521 | M519-K521 PolarHBondContact O-N 3.38Š| ||
| 520 | N | 24 | Very low | 24.3 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -17.2 | 116.3 | 161 | -69 | -24.9 | 0 | 0 | 0 | 115.1 | ||||
| 521 | K | 22.5 | Very low | 24.4 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -141.7 | 126.8 | 161.4 | -92.7 | -178.3 | -179.8 | 173 | 0 | 111.7 | M519 | M519-K521 PolarHBondContact O-N 3.38Š| ||
| 522 | S | 23.9 | Very low | 24.3 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | 80 | 88.5 | 153 | -39.2 | 0 | 0 | 0 | 0 | 116.7 | S524 | S522-S524 PolarHBondContact O-N 3.09Š| ||
| 523 | R | 22.1 | Very low | 24.2 | Very low | 252 Ų | 252 | 133 Ų | 133 | 95% | 0.951 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.4 | 155.3 | -83.4 | -179.5 | 167.4 | -177.3 | -4.6 | 108.5 | C525 | R523-C525 PolarHBondContact O-N 3.29Š|
| 524 | S | 23.8 | Very low | 24 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59 | 120.2 | -167.6 | 49 | 0 | 0 | 0 | 0 | 113.2 | S522 | S522-S524 PolarHBondContact O-N 3.09Š|
| 525 | C | 24.4 | Very low | 24 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 145.6 | 155.3 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | R523 T527 | R523-C525 PolarHBondContact O-N 3.29Å; C525-T527 PolarHBondContact O-N 3.21Å; C525-T527 PolarHBondContact O-OG1 3.02Å |
| 526 | I | 26.3 | Very low | 24 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | trans | -39.1 | 99.3 | 173.5 | -58.8 | 162.4 | 0 | 0 | 0 | 109.6 | ||||
| 527 | T | 24.2 | Very low | 24 | Very low | 86 Ų | 86 | 133 Ų | 133 | 53% | 0.528 | 73% | 0.734 | S | S | . | * | trans | -106.3 | 122.7 | 167.9 | -10 | 0 | 0 | 0 | 0 | 106.2 | C525 | C525-T527 PolarHBondContact O-N 3.21Å; C525-T527 PolarHBondContact O-OG1 3.02Å | ||
| 528 | S | 26.4 | Very low | 24.4 | Very low | 42 Ų | 42 | 132.4 Ų | 132.4 | 29% | 0.294 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -46.6 | 149.7 | -172.7 | 29.3 | 0 | 0 | 0 | 0 | 114.6 | N78 | N78-S528 VanDerWaalsContact CG-O 3.28Å; N78-S528 PolarHBondContact ND2-O 2.84Å; N78-S528 VanDerWaalsContact OD1-CB 3.31Å; N78-S528 WeakPolarHBondContact OD1-CB 3.2Å; N78-S528 PolarHBondContact OD1-O 2.99Å; N78-S528 PolarHBondContact OD1-OG 3.46Å |
| 529 | C | 24.6 | Very low | 24.7 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 48% | 0.48 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 149.5 | -170.2 | -48.6 | 0 | 0 | 0 | 0 | 114.1 | T483 | T483-C529 HydrophobicContact CG2-CB 3.87Å; T483-C529 WeakPolarHBondContact CG2-SG 3.26Å |
| 530 | S | 23.4 | Very low | 25.4 | Very low | 55 Ų | 55 | 125.3 Ų | 125.3 | 39% | 0.385 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -65 | 143.6 | -179.5 | -30.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 531 | A | 24.9 | Very low | 26.1 | Very low | 86 Ų | 86 | 123 Ų | 123 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 532 | V | 23.3 | Very low | 27.2 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | trans | -126.8 | 137.7 | 151.4 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 533 | S | 22.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 111.3 Ų | 111.3 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | trans | -58 | 130.2 | -159.8 | 59.1 | 0 | 0 | 0 | 0 | 116.3 | Q535 | S533-Q535 PolarHBondContact O-N 3.03Š| ||
| 534 | S | 24.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 101.9 Ų | 101.9 | 76% | 0.762 | 58% | 0.584 | S | S | * | * | trans | 43.2 | 66.1 | 140.6 | 67.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 535 | Q | 24.5 | Very low | 32.8 | Very low | 168 Ų | 168 | 96.5 Ų | 96.5 | 79% | 0.785 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -136.4 | 138.7 | 142.6 | -68.3 | -171.7 | -8.4 | 0 | 0 | 107.9 | S533 F537 | S533-Q535 PolarHBondContact O-N 3.03Å; Q535-F537 VanDerWaalsContact O-CD2 3.31Å; Q535-F537 WeakPolarHBondContact O-CD2 3.48Å; Q535-F537 PolarHBondContact O-N 3.16Å |
| 536 | T | 27.6 | Very low | 35.5 | Very low | 144 Ų | 144 | 92.1 Ų | 92.1 | 88% | 0.883 | 52% | 0.517 | S | S | * | . | trans | -37.3 | 92.9 | -172.9 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | K538 | T536-K538 PolarHBondContact O-N 2.89Å; T536-K538 VanDerWaalsContact O-N 3.1Å | ||
| 537 | F | 25.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 84.4 Ų | 84.4 | 77% | 0.772 | 48% | 0.477 | S | S | * | . | trans | -70.3 | 105.1 | 173.5 | -81.1 | -83 | 0 | 0 | 0 | 109.2 | Q535 K539 | Q535-F537 VanDerWaalsContact O-CD2 3.31Å; Q535-F537 WeakPolarHBondContact O-CD2 3.48Å; Q535-F537 PolarHBondContact O-N 3.16Å; F537-K539 PolarHBondContact O-N 3.5Å | ||
| 538 | K | 29.6 | Very low | 41.2 | Very low | 165 Ų | 165 | 80.3 Ų | 80.3 | 72% | 0.717 | 45% | 0.452 | S | S | * | . | trans | -60.2 | 119 | 155.3 | -70.6 | -174.8 | 174.1 | -170.9 | 0 | 106.5 | T536 | T536-K538 PolarHBondContact O-N 2.89Å; T536-K538 VanDerWaalsContact O-N 3.1Å | ||
| 539 | K | 29.5 | Very low | 43.9 | Very low | 115 Ų | 115 | 79.1 Ų | 79.1 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | trans | -50.7 | 150 | 172.3 | -78.5 | 176.3 | 166.9 | -173 | 0 | 109.1 | E58 F537 E541 | E58-K539 IonicContact OE1-NZ 3.77Å; E58-K539 PolarHBondContact OE1-NZ 3.44Å; F537-K539 PolarHBondContact O-N 3.5Å; K539-E541 PolarHBondContact O-N 3.4Å | ||
| 540 | P | 35 | Very low | 46.7 | Very low | 104 Ų | 104 | 76.2 Ų | 76.2 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | trans | -61.1 | 102.9 | 179.4 | 26.5 | -32.8 | 0 | 0 | 0 | 108.6 | ||||
| 541 | E | 38.7 | Very low | 49.3 | Very low | 117 Ų | 117 | 78.3 Ų | 78.3 | 55% | 0.547 | 43% | 0.428 | S | S | . | . | trans | -61.4 | 135.2 | 170.5 | -76.8 | 168.6 | 170.9 | 0 | 0 | 107.4 | K539 D543 | K539-E541 PolarHBondContact O-N 3.4Å; E541-D543 PolarHBondContact O-N 3.03Å; E541-D543 VanDerWaalsContact O-N 3.07Å | ||
| 542 | L | 46.9 | Very low | 51.7 | Low | 40 Ų | 40 | 80.4 Ų | 80.4 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | trans | -63.1 | 110.8 | 176.1 | -73.8 | 158.5 | 0 | 0 | 0 | 107.5 | L401 H456 I475 F544 | L401-L542 HydrophobicContact CD1-CD1 3.64Å; L401-L542 HydrophobicContact CD2-CD1 3.79Å; L401-L542 HydrophobicContact CG-CD1 3.66Å; H456-L542 HydrophobicContact CB-CD1 4.37Å; I475-L542 HydrophobicContact CD1-CD2 3.19Å; I475-L542 HydrophobicContact CG1-CD2 3.38Å; L542-F544 HydrophobicContact CB-CD2 4.47Å; L542-F544 HydrophobicContact CB-CE2 4.02Å; L542-F544 PolarHBondContact O-N 3.1Å | ||
| 543 | D | 53.4 | Low | 54.1 | Low | 19 Ų | 19 | 80.3 Ų | 80.3 | 10% | 0.102 | 42% | 0.422 | C | S | . | . | trans | -96.1 | 80.4 | -164.5 | -165.3 | -1.2 | 0 | 0 | 0 | 110.8 | T479 E541 S545 K557 N573 | T479-D543 HydrophobicContact CG2-CB 4.28Å; E541-D543 PolarHBondContact O-N 3.03Å; E541-D543 VanDerWaalsContact O-N 3.07Å; D543-S545 PolarHBondContact O-N 2.98Å; D543-S545 WeakPolarHBondContact OD1-CB 3.42Å; D543-S545 PolarHBondContact OD1-N 3.22Å; D543-S545 PolarHBondContact OD1-OG 3.2Å; D543-K557 WeakPolarHBondContact OD1-CE 3.23Å; D543-K557 IonicContact OD1-NZ 3.04Å; D543-K557 WeakPolarHBondContact OD2-CE 3.39Å; D543-K557 IonicContact OD2-NZ 2.73Å; D543-K557 PolarHBondContact OD2-NZ 3.19Å; D543-N573 PolarHBondContact OD1-ND2 3.39Å; D543-N573 PolarHBondContact OD1-OD1 3.48Å; D543-N573 PolarHBondContact OD2-ND2 3.45Å | ||
| 544 | F | 61.8 | Low | 56.9 | Low | 53 Ų | 53 | 80.9 Ų | 80.9 | 23% | 0.232 | 41% | 0.414 | C | S | . | . | trans | -79.9 | 22.9 | 171.9 | -62.7 | -70.5 | 0 | 0 | 0 | 112.7 | L401 P473 L542 | L401-F544 WeakPolarHBondContact O-CE2 3.36Å; L401-F544 VanDerWaalsContact O-CZ 3.28Å; L401-F544 WeakPolarHBondContact O-CZ 3.41Å; P473-F544 HydrophobicContact CB-CZ 4.33Å; L542-F544 HydrophobicContact CB-CD2 4.47Å; L542-F544 HydrophobicContact CB-CE2 4.02Å; L542-F544 PolarHBondContact O-N 3.1Å | ||
| 545 | S | 71.7 | Confident | 59.6 | Low | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 148.3 | -176.1 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | D543 K557 V558 N559 L675 | D543-S545 PolarHBondContact O-N 2.98Å; D543-S545 WeakPolarHBondContact OD1-CB 3.42Å; D543-S545 PolarHBondContact OD1-N 3.22Å; D543-S545 PolarHBondContact OD1-OG 3.2Å; S545-K557 WeakPolarHBondContact OG-CE 3.48Å; S545-K557 WeakPolarHBondContact OG-CG 3.33Å; S545-V558 CarbonylContact C-O 3.4Å; S545-V558 VanDerWaalsContact CA-O 3.3Å; S545-V558 WeakPolarHBondContact CA-O 3.2Å; S545-N559 VanDerWaalsContact CA-OD1 3.26Å; S545-N559 WeakPolarHBondContact CA-OD1 3.39Å; S545-N559 WeakPolarHBondContact CB-OD1 3.45Å; S545-L675 PolarHBondContact O-N 3.36Å |
| 546 | I | 80.9 | Confident | 62.6 | Low | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.6 | 174.8 | -67.6 | 166.5 | 0 | 0 | 0 | 106.9 | V558 I560 V591 E595 G673 P674 | I546-V558 HydrophobicContact CB-CG2 4.13Å; I546-V558 HydrophobicContact CG2-CG2 4.44Å; I546-V558 PolarHBondContact N-O 3.06Å; I546-V558 WeakPolarHBondContact O-CG2 3.36Å; I546-V558 PolarHBondContact O-N 3.28Å; I546-I560 HydrophobicContact CD1-CG2 3.99Å; I546-V591 HydrophobicContact CB-CG1 4.47Å; I546-V591 HydrophobicContact CD1-CG1 3.69Å; I546-V591 HydrophobicContact CG2-CG1 4.46Å; I546-V591 HydrophobicContact CG2-CG2 4.27Å; I546-E595 HydrophobicContact CD1-CB 4.35Å; I546-G673 WeakPolarHBondContact CA-O 3.21Å; I546-P674 HydrophobicContact CG1-CB 4.35Å; I546-P674 HydrophobicContact CG1-CG 4.16Å |
| 547 | I | 83.4 | Confident | 65.2 | Low | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 124.4 | 168.3 | -66.9 | 161.3 | 0 | 0 | 0 | 107.4 | E670 E672 G673 L675 | I547-E670 HydrophobicContact CD1-CG 4.4Å; I547-E670 VanDerWaalsContact CD1-OE1 3.27Å; I547-E670 WeakPolarHBondContact CD1-OE1 3.23Å; I547-E672 CarbonylContact O-C 3.54Å; I547-E672 WeakPolarHBondContact O-CA 3.23Å; I547-G673 PolarHBondContact N-O 3.38Å; I547-G673 PolarHBondContact O-N 3.21Å; I547-L675 HydrophobicContact CD1-CB 4.14Å; I547-L675 HydrophobicContact CD1-CD1 3.56Å; I547-L675 HydrophobicContact CD1-CG 4.27Å |
| 548 | L | 86.2 | Confident | 68.1 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122 | -179.4 | 173 | 71.7 | 0 | 0 | 0 | 108.3 | T550 L556 V558 L583 D587 F590 V591 | L548-T550 HydrophobicContact CD2-CG2 3.94Å; L548-T550 HydrophobicContact CG-CG2 4.19Å; L548-L556 PolarHBondContact N-O 3.24Å; L548-L556 PolarHBondContact O-N 3.23Å; L548-V558 HydrophobicContact CB-CG2 4.41Å; L548-L583 HydrophobicContact CD2-CD1 3.71Å; L548-L583 HydrophobicContact CD2-CD2 4.01Å; L548-D587 HydrophobicContact CD1-CB 3.99Å; L548-D587 HydrophobicContact CD2-CB 4.01Å; L548-D587 HydrophobicContact CG-CB 4.49Å; L548-F590 HydrophobicContact CD1-CD1 3.75Å; L548-F590 HydrophobicContact CD1-CE1 4.41Å; L548-V591 HydrophobicContact CD1-CG2 4.17Å; L548-V591 HydrophobicContact CD2-CG2 4.03Å; L548-V591 HydrophobicContact CG-CG2 4.47Å |
| 549 | H | 84.4 | Confident | 70.5 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 105.9 | 162.5 | -41.9 | 144.5 | 0 | 0 | 0 | 108.2 | Q554 R631 M663 E670 E672 | H549-Q554 CarbonylContact C-O 3.58Å; H549-Q554 WeakPolarHBondContact CA-O 3.04Å; H549-R631 PolarHBondContact O-NH2 3.32Å; H549-M663 HydrophobicContact CB-CE 3.63Å; H549-M663 WeakPolarHBondContact CD2-CE 3.24Å; H549-E670 IonicContact NE2-OE2 2.81Å; H549-E670 PolarHBondContact NE2-OE2 2.84Å; H549-E672 HydrophobicContact CB-CG 4.34Å; H549-E672 WeakPolarHBondContact CB-OE1 3.39Å; H549-E672 IonicContact CG-OE1 2.81Å; H549-E672 VanDerWaalsContact CG-OE1 3.29Å; H549-E672 PolarHBondContact N-OE1 3.15Å; H549-E672 VanDerWaalsContact ND1-CG 3.28Å; H549-E672 WeakPolarHBondContact ND1-CG 3.28Å; H549-E672 IonicContact ND1-OE1 3.61Å; H549-E672 PolarHBondContact ND1-OE1 3.36Å |
| 550 | T | 83.3 | Confident | 72.9 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | trans | -63.3 | 158.4 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | L548 D552 N553 Q554 L556 L583 D587 | L548-T550 HydrophobicContact CD2-CG2 3.94Å; L548-T550 HydrophobicContact CG-CG2 4.19Å; T550-D552 PolarHBondContact O-N 2.95Å; T550-D552 VanDerWaalsContact O-N 3.14Å; T550-N553 WeakPolarHBondContact O-CA 3.47Å; T550-N553 PolarHBondContact O-N 2.64Å; T550-Q554 PolarHBondContact N-O 2.93Å; T550-Q554 WeakPolarHBondContact OG1-CA 3.46Å; T550-Q554 VanDerWaalsContact OG1-CB 3.25Å; T550-Q554 WeakPolarHBondContact OG1-CB 3.43Å; T550-Q554 PolarHBondContact OG1-N 3.28Å; T550-Q554 PolarHBondContact OG1-O 3.29Å; T550-L556 HydrophobicContact CG2-CD1 3.53Å; T550-L556 HydrophobicContact CG2-CG 4.05Å; T550-L583 HydrophobicContact CG2-CD2 4.16Å; T550-D587 WeakPolarHBondContact CA-OD2 3.06Å | ||
| 551 | I | 76.9 | Confident | 74.9 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.9 | 174.5 | -64.8 | 173.2 | 0 | 0 | 0 | 111.8 | N553 V586 D587 | I551-N553 PolarHBondContact O-N 3.34Å; I551-N553 VanDerWaalsContact O-N 3.14Å; I551-V586 HydrophobicContact CD1-CB 3.7Å; I551-V586 HydrophobicContact CD1-CG1 4Å; I551-V586 HydrophobicContact CD1-CG2 3.82Å; I551-D587 PolarHBondContact N-OD2 3.09Å |
| 552 | D | 74.9 | Confident | 76.7 | Confident | 129 Ų | 129 | 43.2 Ų | 43.2 | 69% | 0.69 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 13.2 | 175.5 | -60.5 | -33.7 | 0 | 0 | 0 | 113.3 | T550 Q554 | T550-D552 PolarHBondContact O-N 2.95Å; T550-D552 VanDerWaalsContact O-N 3.14Å; D552-Q554 VanDerWaalsContact C-N 3.3Å; D552-Q554 PolarHBondContact O-N 3.1Å |
| 553 | N | 75 | Confident | 77.7 | Confident | 119 Ų | 119 | 43 Ų | 43 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 57 | 36.9 | -177.5 | -62.3 | -44.2 | 0 | 0 | 0 | 113.6 | T550 I551 M663 | T550-N553 WeakPolarHBondContact O-CA 3.47Å; T550-N553 PolarHBondContact O-N 2.64Å; I551-N553 PolarHBondContact O-N 3.34Å; I551-N553 VanDerWaalsContact O-N 3.14Å; N553-M663 HydrophobicContact CB-CB 4.41Å; N553-M663 WeakPolarHBondContact O-CG 3.38Å |
| 554 | Q | 80.6 | Confident | 78.2 | Confident | 111 Ų | 111 | 47.4 Ų | 47.4 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | trans | -102.1 | 133.9 | 169.6 | -52.1 | -177.4 | -3.1 | 0 | 0 | 110.6 | H549 T550 D552 | H549-Q554 CarbonylContact C-O 3.58Å; H549-Q554 WeakPolarHBondContact CA-O 3.04Å; T550-Q554 PolarHBondContact N-O 2.93Å; T550-Q554 WeakPolarHBondContact OG1-CA 3.46Å; T550-Q554 VanDerWaalsContact OG1-CB 3.25Å; T550-Q554 WeakPolarHBondContact OG1-CB 3.43Å; T550-Q554 PolarHBondContact OG1-N 3.28Å; T550-Q554 PolarHBondContact OG1-O 3.29Å; D552-Q554 VanDerWaalsContact C-N 3.3Å; D552-Q554 PolarHBondContact O-N 3.1Å | ||
| 555 | R | 82.7 | Confident | 78.3 | Confident | 85 Ų | 85 | 51 Ų | 51 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.6 | 170.9 | 179.6 | 179.1 | 178.7 | -88.3 | -3.2 | 109.9 | M663 E670 | R555-M663 HydrophobicContact CB-CE 4.11Å; R555-M663 HydrophobicContact CB-SD 3.81Å; R555-E670 WeakPolarHBondContact CD-OE2 3.25Å; R555-E670 IonicContact CZ-OE1 3.68Å; R555-E670 IonicContact CZ-OE2 2.78Å; R555-E670 IonicContact NE-OE1 2.74Å; R555-E670 PolarHBondContact NE-OE1 3.08Å; R555-E670 IonicContact NE-OE2 3.79Å; R555-E670 PolarHBondContact NE-OE2 2.94Å; R555-E670 IonicContact NH2-OE1 3.56Å; R555-E670 PolarHBondContact NH2-OE1 2.83Å; R555-E670 IonicContact NH2-OE2 2.79Å |
| 556 | L | 85.8 | Confident | 78.2 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.2 | 177.8 | -59.5 | -179.8 | 0 | 0 | 0 | 110.5 | L548 T550 V558 L572 L583 | L548-L556 PolarHBondContact N-O 3.24Å; L548-L556 PolarHBondContact O-N 3.23Å; T550-L556 HydrophobicContact CG2-CD1 3.53Å; T550-L556 HydrophobicContact CG2-CG 4.05Å; L556-V558 HydrophobicContact CB-CG1 3.98Å; L556-L572 HydrophobicContact CD2-CD2 4.37Å; L556-L583 HydrophobicContact CD1-CD2 3.78Å |
| 557 | K | 83.8 | Confident | 78 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 30% | 0.296 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 106.7 | 172.8 | -171.8 | 174.3 | -175.3 | 174.9 | 0 | 108.1 | D543 S545 N573 | D543-K557 WeakPolarHBondContact OD1-CE 3.23Å; D543-K557 IonicContact OD1-NZ 3.04Å; D543-K557 WeakPolarHBondContact OD2-CE 3.39Å; D543-K557 IonicContact OD2-NZ 2.73Å; D543-K557 PolarHBondContact OD2-NZ 3.19Å; S545-K557 WeakPolarHBondContact OG-CE 3.48Å; S545-K557 WeakPolarHBondContact OG-CG 3.33Å; K557-N573 HydrophobicContact CD-CB 4.49Å; K557-N573 WeakPolarHBondContact CE-ND2 3.46Å; K557-N573 HydrophobicContact CG-CB 4.12Å; K557-N573 PolarHBondContact O-N 3Å |
| 558 | V | 85.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.5 | -166.7 | -59.8 | 0 | 0 | 0 | 0 | 112 | S545 I546 L548 L556 I570 S571 I581 V591 | S545-V558 CarbonylContact C-O 3.4Å; S545-V558 VanDerWaalsContact CA-O 3.3Å; S545-V558 WeakPolarHBondContact CA-O 3.2Å; I546-V558 HydrophobicContact CB-CG2 4.13Å; I546-V558 HydrophobicContact CG2-CG2 4.44Å; I546-V558 PolarHBondContact N-O 3.06Å; I546-V558 WeakPolarHBondContact O-CG2 3.36Å; I546-V558 PolarHBondContact O-N 3.28Å; L548-V558 HydrophobicContact CB-CG2 4.41Å; L556-V558 HydrophobicContact CB-CG1 3.98Å; V558-I570 HydrophobicContact CB-CG2 3.75Å; V558-I570 HydrophobicContact CG1-CG2 4.15Å; V558-I570 HydrophobicContact CG2-CG2 4.05Å; V558-S571 CarbonylContact C-O 2.99Å; V558-S571 VanDerWaalsContact CA-O 3.27Å; V558-S571 WeakPolarHBondContact CA-O 3.2Å; V558-I581 HydrophobicContact CG1-CD1 3.85Å; V558-V591 HydrophobicContact CG2-CG1 3.99Å; V558-V591 HydrophobicContact CG2-CG2 3.78Å |
| 559 | N | 80.1 | Confident | 77.7 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.3 | 170.1 | -68.9 | -15.7 | 0 | 0 | 0 | 109.4 | S545 I570 S571 N573 | S545-N559 VanDerWaalsContact CA-OD1 3.26Å; S545-N559 WeakPolarHBondContact CA-OD1 3.39Å; S545-N559 WeakPolarHBondContact CB-OD1 3.45Å; N559-I570 WeakPolarHBondContact O-CA 3.32Å; N559-S571 PolarHBondContact N-O 3.39Å; N559-S571 PolarHBondContact O-N 3.24Å; N559-N573 PolarHBondContact ND2-OD1 3.18Å; N559-N573 PolarHBondContact OD1-OD1 3.25Å |
| 560 | I | 80.8 | Confident | 77.8 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.1 | 177.3 | -176.4 | 167.3 | 0 | 0 | 0 | 110.1 | I546 F562 Y568 I569 I570 V591 G592 E595 | I546-I560 HydrophobicContact CD1-CG2 3.99Å; I560-F562 HydrophobicContact CD1-CD2 4.33Å; I560-F562 HydrophobicContact CD1-CE2 3.55Å; I560-F562 HydrophobicContact CD1-CZ 3.7Å; I560-F562 HydrophobicContact CG1-CD2 4.26Å; I560-F562 HydrophobicContact CG1-CE2 3.94Å; I560-F562 HydrophobicContact CG1-CZ 4.48Å; I560-Y568 HydrophobicContact CD1-CD2 3.55Å; I560-Y568 HydrophobicContact CD1-CE2 4.26Å; I560-Y568 HydrophobicContact CD1-CG 4.25Å; I560-Y568 HydrophobicContact CG1-CD2 4.14Å; I560-I569 WeakPolarHBondContact CA-O 3.44Å; I560-I570 HydrophobicContact CG1-CG1 4.48Å; I560-V591 HydrophobicContact CB-CG1 3.92Å; I560-V591 HydrophobicContact CD1-CG1 4.12Å; I560-V591 HydrophobicContact CG2-CG1 4.37Å; I560-G592 VanDerWaalsContact CD1-CA 3.5Å; I560-E595 HydrophobicContact CG2-CB 3.85Å; I560-E595 HydrophobicContact CG2-CG 3.79Å |
| 561 | L | 77.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.7 | 173.3 | 179.8 | 68.1 | 0 | 0 | 0 | 109.2 | P399 Y568 I569 P577 | P399-L561 HydrophobicContact CB-CD1 4.09Å; L561-Y568 CarbonylContact O-C 3.58Å; L561-Y568 VanDerWaalsContact O-CA 3.3Å; L561-Y568 WeakPolarHBondContact O-CA 3.32Å; L561-I569 PolarHBondContact N-O 3.14Å; L561-I569 PolarHBondContact O-N 2.67Å; L561-P577 HydrophobicContact CD2-CB 4.34Å |
| 562 | F | 76.5 | Confident | 78 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.4 | 169.4 | -72 | -91.1 | 0 | 0 | 0 | 109.6 | I560 Y568 E595 V596 Y611 C614 I615 | I560-F562 HydrophobicContact CD1-CD2 4.33Å; I560-F562 HydrophobicContact CD1-CE2 3.55Å; I560-F562 HydrophobicContact CD1-CZ 3.7Å; I560-F562 HydrophobicContact CG1-CD2 4.26Å; I560-F562 HydrophobicContact CG1-CE2 3.94Å; I560-F562 HydrophobicContact CG1-CZ 4.48Å; F562-Y568 HydrophobicContact CE1-CD1 4.48Å; F562-Y568 HydrophobicContact CE1-CG 4.23Å; F562-E595 HydrophobicContact CD2-CG 4.39Å; F562-E595 HydrophobicContact CE2-CB 4.11Å; F562-E595 HydrophobicContact CE2-CG 3.67Å; F562-V596 HydrophobicContact CZ-CG2 4.32Å; F562-Y611 HydrophobicContact CB-CD1 3.79Å; F562-Y611 HydrophobicContact CB-CE1 3.55Å; F562-Y611 AromaticContact CD1-CD1 3.8Å; F562-Y611 HydrophobicContact CD1-CD1 3.8Å; F562-Y611 HydrophobicContact CD1-CE1 4.39Å; F562-Y611 AromaticContact CD1-CG 3.98Å; F562-Y611 HydrophobicContact CD1-CG 3.98Å; F562-Y611 AromaticContact CD2-CD1 3.92Å; F562-Y611 HydrophobicContact CD2-CD1 3.92Å; F562-Y611 AromaticContact CD2-CD2 3.86Å; F562-Y611 HydrophobicContact CD2-CD2 3.86Å; F562-Y611 AromaticContact CD2-CE1 3.89Å; F562-Y611 HydrophobicContact CD2-CE1 3.89Å; F562-Y611 AromaticContact CD2-CE2 3.82Å; F562-Y611 HydrophobicContact CD2-CE2 3.82Å; F562-Y611 AromaticContact CD2-CG 3.91Å; F562-Y611 HydrophobicContact CD2-CG 3.91Å; F562-Y611 AromaticContact CD2-CZ 3.86Å; F562-Y611 HydrophobicContact CE1-CD1 4.36Å; F562-Y611 HydrophobicContact CE1-CG 4.07Å; F562-Y611 HydrophobicContact CE2-CD1 4.46Å; F562-Y611 AromaticContact CE2-CD2 3.8Å; F562-Y611 HydrophobicContact CE2-CD2 3.8Å; F562-Y611 HydrophobicContact CE2-CE2 4.1Å; F562-Y611 HydrophobicContact CE2-CG 4Å; F562-Y611 AromaticContact CG-CD1 3.55Å; F562-Y611 HydrophobicContact CG-CD1 3.55Å; F562-Y611 HydrophobicContact CG-CD2 4.32Å; F562-Y611 AromaticContact CG-CE1 3.69Å; F562-Y611 HydrophobicContact CG-CE1 3.69Å; F562-Y611 HydrophobicContact CG-CE2 4.42Å; F562-Y611 AromaticContact CG-CG 3.9Å; F562-Y611 HydrophobicContact CG-CG 3.9Å; F562-Y611 HydrophobicContact CZ-CD2 4.21Å; F562-Y611 HydrophobicContact CZ-CG 4.08Å; F562-C614 HydrophobicContact CD1-CB 3.62Å; F562-C614 HydrophobicContact CE1-CB 3.88Å; F562-I615 HydrophobicContact CE1-CG1 4.34Å |
| 563 | T | 68.1 | Low | 77.8 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | trans | -98.9 | 161.8 | -177.7 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | N565 T567 I569 | T563-N565 PolarHBondContact O-N 3.39Å; T563-T567 WeakPolarHBondContact CB-O 3.39Å; T563-T567 PolarHBondContact N-O 3.23Å; T563-T567 PolarHBondContact OG1-O 3.49Å; T563-T567 PolarHBondContact OG1-OG1 3.42Å; T563-I569 HydrophobicContact CG2-CD1 3.76Å; T563-I569 HydrophobicContact CG2-CG1 3.95Å | ||
| 564 | T | 63.1 | Low | 77.5 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.6 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | D566 | T564-D566 PolarHBondContact O-N 2.78Š|
| 565 | N | 63.4 | Low | 77 | Confident | 130 Ų | 130 | 52.1 Ų | 52.1 | 70% | 0.695 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 27.9 | -178.6 | -64.1 | 1 | 0 | 0 | 0 | 111.5 | T563 T567 | T563-N565 PolarHBondContact O-N 3.39Å; N565-T567 PolarHBondContact O-N 3.47Å; N565-T567 VanDerWaalsContact O-N 3.16Å |
| 566 | D | 70.5 | Confident | 76.2 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 51.2 | 36.6 | -175.7 | -58.9 | -42.2 | 0 | 0 | 0 | 114.1 | T564 C614 | T564-D566 PolarHBondContact O-N 2.78Å; D566-C614 WeakPolarHBondContact O-CA 3.36Å |
| 567 | T | 75.5 | Confident | 75.1 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | trans | -133.1 | 161.7 | 175.4 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | T563 N565 | T563-T567 WeakPolarHBondContact CB-O 3.39Å; T563-T567 PolarHBondContact N-O 3.23Å; T563-T567 PolarHBondContact OG1-O 3.49Å; T563-T567 PolarHBondContact OG1-OG1 3.42Å; N565-T567 PolarHBondContact O-N 3.47Å; N565-T567 VanDerWaalsContact O-N 3.16Å | ||
| 568 | Y | 83.1 | Confident | 74.3 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.5 | 178.9 | 65.4 | -77.4 | 0 | 0 | 0 | 112 | I560 L561 F562 I570 R588 I615 D618 | I560-Y568 HydrophobicContact CD1-CD2 3.55Å; I560-Y568 HydrophobicContact CD1-CE2 4.26Å; I560-Y568 HydrophobicContact CD1-CG 4.25Å; I560-Y568 HydrophobicContact CG1-CD2 4.14Å; L561-Y568 CarbonylContact O-C 3.58Å; L561-Y568 VanDerWaalsContact O-CA 3.3Å; L561-Y568 WeakPolarHBondContact O-CA 3.32Å; F562-Y568 HydrophobicContact CE1-CD1 4.48Å; F562-Y568 HydrophobicContact CE1-CG 4.23Å; Y568-I570 HydrophobicContact CD2-CD1 4.36Å; Y568-I570 HydrophobicContact CD2-CG1 4.2Å; Y568-I570 HydrophobicContact CE2-CD1 4.05Å; Y568-I570 HydrophobicContact CE2-CG1 4.38Å; Y568-R588 HydrophobicContact CE2-CG 3.66Å; Y568-R588 PolarHBondContact O-NH2 2.82Å; Y568-R588 WeakPolarHBondContact OH-CD 3.47Å; Y568-R588 WeakPolarHBondContact OH-CG 3.2Å; Y568-I615 HydrophobicContact CE1-CG1 4.44Å; Y568-D618 HydrophobicContact CE1-CB 4.42Å; Y568-D618 PolarHBondContact OH-OD2 3.49Å |
| 569 | I | 81.7 | Confident | 73.8 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.7 | -176.9 | -61.3 | 176.7 | 0 | 0 | 0 | 108.3 | I560 L561 T563 P580 | I560-I569 WeakPolarHBondContact CA-O 3.44Å; L561-I569 PolarHBondContact N-O 3.14Å; L561-I569 PolarHBondContact O-N 2.67Å; T563-I569 HydrophobicContact CG2-CD1 3.76Å; T563-I569 HydrophobicContact CG2-CG1 3.95Å; I569-P580 HydrophobicContact CG2-CB 4.08Å |
| 570 | I | 86 | Confident | 73.8 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.1 | 176 | -56.4 | 176.9 | 0 | 0 | 0 | 108.9 | V558 N559 I560 Y568 P580 I581 L583 R588 V591 | V558-I570 HydrophobicContact CB-CG2 3.75Å; V558-I570 HydrophobicContact CG1-CG2 4.15Å; V558-I570 HydrophobicContact CG2-CG2 4.05Å; N559-I570 WeakPolarHBondContact O-CA 3.32Å; I560-I570 HydrophobicContact CG1-CG1 4.48Å; Y568-I570 HydrophobicContact CD2-CD1 4.36Å; Y568-I570 HydrophobicContact CD2-CG1 4.2Å; Y568-I570 HydrophobicContact CE2-CD1 4.05Å; Y568-I570 HydrophobicContact CE2-CG1 4.38Å; I570-P580 CarbonylContact O-C 3.55Å; I570-P580 VanDerWaalsContact O-CA 3.3Å; I570-P580 WeakPolarHBondContact O-CA 3.4Å; I570-I581 PolarHBondContact O-N 3.49Å; I570-L583 HydrophobicContact CB-CD1 4.38Å; I570-L583 HydrophobicContact CD1-CD1 3.93Å; I570-L583 HydrophobicContact CG2-CD1 3.79Å; I570-R588 HydrophobicContact CD1-CB 4.25Å; I570-R588 HydrophobicContact CD1-CG 3.52Å; I570-V591 HydrophobicContact CD1-CB 3.81Å; I570-V591 HydrophobicContact CD1-CG1 3.92Å; I570-V591 HydrophobicContact CD1-CG2 4.24Å; I570-V591 HydrophobicContact CG1-CG1 4.25Å; I570-V591 HydrophobicContact CG2-CG1 4.47Å |
| 571 | S | 82 | Confident | 73.9 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 158.7 | -178.6 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | V558 N559 | V558-S571 CarbonylContact C-O 2.99Å; V558-S571 VanDerWaalsContact CA-O 3.27Å; V558-S571 WeakPolarHBondContact CA-O 3.2Å; N559-S571 PolarHBondContact N-O 3.39Å; N559-S571 PolarHBondContact O-N 3.24Å |
| 572 | L | 82.2 | Confident | 74.2 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145.1 | 172.6 | -74.3 | 174.1 | 0 | 0 | 0 | 108.8 | L556 N574 E575 I581 | L556-L572 HydrophobicContact CD2-CD2 4.37Å; L572-N574 PolarHBondContact O-N 2.75Å; L572-E575 HydrophobicContact CB-CB 4.1Å; L572-E575 HydrophobicContact CB-CG 3.93Å; L572-E575 HydrophobicContact CD1-CG 4.35Å; L572-E575 PolarHBondContact O-N 2.64Å; L572-I581 HydrophobicContact CB-CD1 4.19Å; L572-I581 HydrophobicContact CD1-CD1 4.44Å; L572-I581 HydrophobicContact CD2-CD1 3.42Å; L572-I581 VanDerWaalsContact CD2-CD1 3.42Å; L572-I581 HydrophobicContact CD2-CG1 4.47Å; L572-I581 HydrophobicContact CG-CD1 3.35Å; L572-I581 HydrophobicContact CG-CG1 3.92Å |
| 573 | N | 71.2 | Confident | 74.6 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 14% | 0.139 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30 | -176 | -165.5 | 29.7 | 0 | 0 | 0 | 114.2 | D543 K557 N559 | D543-N573 PolarHBondContact OD1-ND2 3.39Å; D543-N573 PolarHBondContact OD1-OD1 3.48Å; D543-N573 PolarHBondContact OD2-ND2 3.45Å; K557-N573 HydrophobicContact CD-CB 4.49Å; K557-N573 WeakPolarHBondContact CE-ND2 3.46Å; K557-N573 HydrophobicContact CG-CB 4.12Å; K557-N573 PolarHBondContact O-N 3Å; N559-N573 PolarHBondContact ND2-OD1 3.18Å; N559-N573 PolarHBondContact OD1-OD1 3.25Å |
| 574 | N | 69 | Low | 75.5 | Confident | 138 Ų | 138 | 72.2 Ų | 72.2 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 1.3 | -179.1 | -64 | -22.1 | 0 | 0 | 0 | 114 | L572 | L572-N574 PolarHBondContact O-N 2.75Š|
| 575 | E | 68.5 | Low | 76.6 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -111.9 | 150.7 | -177.8 | -64.2 | -168.7 | 157.8 | 0 | 0 | 111.2 | L572 | L572-E575 HydrophobicContact CB-CB 4.1Å; L572-E575 HydrophobicContact CB-CG 3.93Å; L572-E575 HydrophobicContact CD1-CG 4.35Å; L572-E575 PolarHBondContact O-N 2.64Å |
| 576 | S | 65.9 | Low | 77.7 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | trans | -66.6 | 147.2 | 176.5 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | D578 K579 | S576-D578 PolarHBondContact O-N 3.06Å; S576-K579 PolarHBondContact O-N 3.33Å | ||
| 577 | P | 64.7 | Low | 78.6 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -16.2 | 175.7 | 24.2 | -34 | 0 | 0 | 0 | 113.6 | L561 K579 | L561-P577 HydrophobicContact CD2-CB 4.34Å; P577-K579 PolarHBondContact O-N 3.11Å |
| 578 | D | 66.8 | Low | 79.2 | Confident | 141 Ų | 141 | 62 Ų | 62 | 75% | 0.754 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.2 | 174.4 | -56.5 | -30.6 | 0 | 0 | 0 | 114.3 | S576 P580 | S576-D578 PolarHBondContact O-N 3.06Å; D578-P580 WeakPolarHBondContact O-CD 3.46Å |
| 579 | K | 74 | Confident | 79.5 | Confident | 137 Ų | 137 | 61.9 Ų | 61.9 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -116.5 | 80.1 | 176.7 | -68.9 | -176.3 | -177.9 | 178.4 | 0 | 110 | S576 P577 | S576-K579 PolarHBondContact O-N 3.33Å; P577-K579 PolarHBondContact O-N 3.11Å |
| 580 | P | 79.3 | Confident | 80 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | trans | -63.2 | 138.9 | 176.4 | 23.5 | -31.8 | 0 | 0 | 0 | 111.4 | I569 I570 D578 | I569-P580 HydrophobicContact CG2-CB 4.08Å; I570-P580 CarbonylContact O-C 3.55Å; I570-P580 VanDerWaalsContact O-CA 3.3Å; I570-P580 WeakPolarHBondContact O-CA 3.4Å; D578-P580 WeakPolarHBondContact O-CD 3.46Å | ||
| 581 | I | 84.3 | Confident | 80.1 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | trans | -79.5 | 135.4 | 168.9 | -49.7 | 168.9 | 0 | 0 | 0 | 108.3 | V558 I570 L572 L583 | V558-I581 HydrophobicContact CG1-CD1 3.85Å; I570-I581 PolarHBondContact O-N 3.49Å; L572-I581 HydrophobicContact CB-CD1 4.19Å; L572-I581 HydrophobicContact CD1-CD1 4.44Å; L572-I581 HydrophobicContact CD2-CD1 3.42Å; L572-I581 VanDerWaalsContact CD2-CD1 3.42Å; L572-I581 HydrophobicContact CD2-CG1 4.47Å; L572-I581 HydrophobicContact CG-CD1 3.35Å; L572-I581 HydrophobicContact CG-CG1 3.92Å; I581-L583 HydrophobicContact CB-CG 4.45Å; I581-L583 HydrophobicContact CG2-CD2 3.95Å; I581-L583 HydrophobicContact CG2-CG 4.12Å; I581-L583 PolarHBondContact O-N 3.26Å | ||
| 582 | Q | 81.6 | Confident | 80.4 | Confident | 191 Ų | 191 | 58.8 Ų | 58.8 | 89% | 0.893 | 31% | 0.309 | S | S | * | . | trans | -81 | 105.5 | 167.9 | -168 | 171.5 | 10.3 | 0 | 0 | 109.5 | ||||
| 583 | L | 85.7 | Confident | 80.8 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | trans | -102.6 | 161 | 174.9 | -66.4 | 174.6 | 0 | 0 | 0 | 111 | L548 T550 L556 I570 I581 D587 R588 | L548-L583 HydrophobicContact CD2-CD1 3.71Å; L548-L583 HydrophobicContact CD2-CD2 4.01Å; T550-L583 HydrophobicContact CG2-CD2 4.16Å; L556-L583 HydrophobicContact CD1-CD2 3.78Å; I570-L583 HydrophobicContact CB-CD1 4.38Å; I570-L583 HydrophobicContact CD1-CD1 3.93Å; I570-L583 HydrophobicContact CG2-CD1 3.79Å; I581-L583 HydrophobicContact CB-CG 4.45Å; I581-L583 HydrophobicContact CG2-CD2 3.95Å; I581-L583 HydrophobicContact CG2-CG 4.12Å; I581-L583 PolarHBondContact O-N 3.26Å; L583-D587 HydrophobicContact CB-CB 4.34Å; L583-R588 HydrophobicContact CB-CB 4.46Å | ||
| 584 | S | 87.9 | Confident | 81.6 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | trans | -60.2 | 150.4 | 169.3 | 79.6 | 0 | 0 | 0 | 0 | 110.4 | V586 D587 R588 | S584-V586 PolarHBondContact O-N 3.3Å; S584-D587 PolarHBondContact O-N 3.13Å; S584-D587 VanDerWaalsContact O-N 3.15Å; S584-D587 WeakPolarHBondContact OG-CB 3.49Å; S584-D587 PolarHBondContact OG-N 3.42Å; S584-D587 PolarHBondContact OG-OD2 2.83Å; S584-R588 WeakPolarHBondContact O-CB 3.03Å; S584-R588 PolarHBondContact O-N 3.09Å | ||
| 585 | P | 85.4 | Confident | 82.3 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56 | -34.5 | 178.6 | -27 | 35 | 0 | 0 | 0 | 113.7 | L589 | P585-L589 VanDerWaalsContact O-CB 3.31Å; P585-L589 WeakPolarHBondContact O-CB 3.28Å; P585-L589 PolarHBondContact O-N 3.35Å |
| 586 | V | 86.1 | Confident | 83.2 | Confident | 19 Ų | 19 | 45 Ų | 45 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -49.8 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 111 | I551 S584 L589 F590 H624 V628 | I551-V586 HydrophobicContact CD1-CB 3.7Å; I551-V586 HydrophobicContact CD1-CG1 4Å; I551-V586 HydrophobicContact CD1-CG2 3.82Å; S584-V586 PolarHBondContact O-N 3.3Å; V586-L589 PolarHBondContact O-N 3.43Å; V586-F590 PolarHBondContact O-N 3.19Å; V586-H624 HydrophobicContact CB-CB 4.44Å; V586-H624 HydrophobicContact CG2-CB 3.76Å; V586-H624 WeakPolarHBondContact CG2-ND1 3.32Å; V586-V628 HydrophobicContact CB-CG2 4.5Å; V586-V628 HydrophobicContact CG1-CG2 3.66Å; V586-V628 WeakPolarHBondContact O-CG2 3.42Å |
| 587 | D | 89.4 | Confident | 84.3 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | -177.7 | -69.8 | -39.8 | 0 | 0 | 0 | 111.1 | L548 T550 I551 L583 S584 L589 F590 V591 R631 | L548-D587 HydrophobicContact CD1-CB 3.99Å; L548-D587 HydrophobicContact CD2-CB 4.01Å; L548-D587 HydrophobicContact CG-CB 4.49Å; T550-D587 WeakPolarHBondContact CA-OD2 3.06Å; I551-D587 PolarHBondContact N-OD2 3.09Å; L583-D587 HydrophobicContact CB-CB 4.34Å; S584-D587 PolarHBondContact O-N 3.13Å; S584-D587 VanDerWaalsContact O-N 3.15Å; S584-D587 WeakPolarHBondContact OG-CB 3.49Å; S584-D587 PolarHBondContact OG-N 3.42Å; S584-D587 PolarHBondContact OG-OD2 2.83Å; D587-L589 PolarHBondContact O-N 3.42Å; D587-F590 PolarHBondContact O-N 3.44Å; D587-V591 WeakPolarHBondContact O-CG2 3.32Å; D587-V591 PolarHBondContact O-N 3.42Å; D587-V591 VanDerWaalsContact O-N 3.11Å; D587-R631 IonicContact OD1-CZ 2.57Å; D587-R631 IonicContact OD1-NH1 3.44Å; D587-R631 PolarHBondContact OD1-NH1 3.12Å; D587-R631 IonicContact OD1-NH2 3.88Å |
| 588 | R | 89 | Confident | 85.2 | Confident | 90 Ų | 90 | 40.9 Ų | 40.9 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 174.4 | -158 | -162 | 176.8 | 156.7 | 1.3 | 111 | Y568 I570 L583 S584 F590 V591 G592 D618 | Y568-R588 HydrophobicContact CE2-CG 3.66Å; Y568-R588 PolarHBondContact O-NH2 2.82Å; Y568-R588 WeakPolarHBondContact OH-CD 3.47Å; Y568-R588 WeakPolarHBondContact OH-CG 3.2Å; I570-R588 HydrophobicContact CD1-CB 4.25Å; I570-R588 HydrophobicContact CD1-CG 3.52Å; L583-R588 HydrophobicContact CB-CB 4.46Å; S584-R588 WeakPolarHBondContact O-CB 3.03Å; S584-R588 PolarHBondContact O-N 3.09Å; R588-F590 VanDerWaalsContact C-N 3.34Å; R588-F590 PolarHBondContact O-N 3.33Å; R588-V591 PolarHBondContact O-N 3.25Å; R588-G592 PolarHBondContact O-N 3.03Å; R588-G592 VanDerWaalsContact O-N 3.08Å; R588-D618 IonicContact NE-OD2 3.49Å |
| 589 | L | 89.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 177.1 | -178.1 | 63.3 | 0 | 0 | 0 | 112.1 | P585 V586 D587 G592 L593 I615 A621 F625 V628 | P585-L589 VanDerWaalsContact O-CB 3.31Å; P585-L589 WeakPolarHBondContact O-CB 3.28Å; P585-L589 PolarHBondContact O-N 3.35Å; V586-L589 PolarHBondContact O-N 3.43Å; D587-L589 PolarHBondContact O-N 3.42Å; L589-G592 PolarHBondContact O-N 3.24Å; L589-L593 VanDerWaalsContact O-CB 3.26Å; L589-L593 WeakPolarHBondContact O-CB 3.35Å; L589-L593 PolarHBondContact O-N 3.46Å; L589-I615 HydrophobicContact CD1-CG2 3.31Å; L589-A621 HydrophobicContact CB-CB 4.15Å; L589-A621 HydrophobicContact CD1-CB 4.08Å; L589-A621 HydrophobicContact CD2-CB 4.07Å; L589-A621 WeakPolarHBondContact CD2-O 3.48Å; L589-A621 HydrophobicContact CG-CB 4.32Å; L589-F625 HydrophobicContact CD1-CD2 4.38Å; L589-F625 HydrophobicContact CD2-CB 4.16Å; L589-F625 HydrophobicContact CD2-CD2 4.04Å; L589-V628 HydrophobicContact CB-CG1 4.42Å; L589-V628 HydrophobicContact CB-CG2 4.2Å; L589-V628 HydrophobicContact CD2-CB 4Å; L589-V628 HydrophobicContact CD2-CG1 4.29Å; L589-V628 HydrophobicContact CD2-CG2 3.92Å; L589-V628 HydrophobicContact CG-CB 4.23Å; L589-V628 HydrophobicContact CG-CG1 3.97Å; L589-V628 HydrophobicContact CG-CG2 4.19Å |
| 590 | F | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.1 | 176.8 | -101.8 | 0 | 0 | 0 | 112.5 | L548 V586 D587 R588 S594 V628 R631 E672 | L548-F590 HydrophobicContact CD1-CD1 3.75Å; L548-F590 HydrophobicContact CD1-CE1 4.41Å; V586-F590 PolarHBondContact O-N 3.19Å; D587-F590 PolarHBondContact O-N 3.44Å; R588-F590 VanDerWaalsContact C-N 3.34Å; R588-F590 PolarHBondContact O-N 3.33Å; F590-S594 VanDerWaalsContact O-CB 3.27Å; F590-S594 WeakPolarHBondContact O-CB 3.47Å; F590-S594 PolarHBondContact O-N 3.33Å; F590-S594 PolarHBondContact O-OG 3.4Å; F590-V628 HydrophobicContact CB-CG1 3.75Å; F590-V628 HydrophobicContact CB-CG2 4.5Å; F590-V628 HydrophobicContact CD2-CG1 4.12Å; F590-V628 HydrophobicContact CG-CG1 4.45Å; F590-R631 HydrophobicContact CD2-CB 4.1Å; F590-R631 VanDerWaalsContact CD2-CD 3.46Å; F590-R631 HydrophobicContact CD2-CG 3.76Å; F590-R631 HydrophobicContact CE2-CB 4.15Å; F590-R631 HydrophobicContact CE2-CG 3.61Å; F590-R631 HydrophobicContact CZ-CG 4.33Å; F590-E672 HydrophobicContact CE1-CB 3.84Å; F590-E672 HydrophobicContact CZ-CB 3.77Å |
| 591 | V | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | I546 L548 V558 I560 I570 D587 R588 S594 E595 | I546-V591 HydrophobicContact CB-CG1 4.47Å; I546-V591 HydrophobicContact CD1-CG1 3.69Å; I546-V591 HydrophobicContact CG2-CG1 4.46Å; I546-V591 HydrophobicContact CG2-CG2 4.27Å; L548-V591 HydrophobicContact CD1-CG2 4.17Å; L548-V591 HydrophobicContact CD2-CG2 4.03Å; L548-V591 HydrophobicContact CG-CG2 4.47Å; V558-V591 HydrophobicContact CG2-CG1 3.99Å; V558-V591 HydrophobicContact CG2-CG2 3.78Å; I560-V591 HydrophobicContact CB-CG1 3.92Å; I560-V591 HydrophobicContact CD1-CG1 4.12Å; I560-V591 HydrophobicContact CG2-CG1 4.37Å; I570-V591 HydrophobicContact CD1-CB 3.81Å; I570-V591 HydrophobicContact CD1-CG1 3.92Å; I570-V591 HydrophobicContact CD1-CG2 4.24Å; I570-V591 HydrophobicContact CG1-CG1 4.25Å; I570-V591 HydrophobicContact CG2-CG1 4.47Å; D587-V591 WeakPolarHBondContact O-CG2 3.32Å; D587-V591 PolarHBondContact O-N 3.42Å; D587-V591 VanDerWaalsContact O-N 3.11Å; R588-V591 PolarHBondContact O-N 3.25Å; V591-S594 PolarHBondContact O-N 3.4Å; V591-E595 PolarHBondContact O-N 3.02Å |
| 592 | G | 88.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -51.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I560 R588 L589 S594 E595 V596 | I560-G592 VanDerWaalsContact CD1-CA 3.5Å; R588-G592 PolarHBondContact O-N 3.03Å; R588-G592 VanDerWaalsContact O-N 3.08Å; L589-G592 PolarHBondContact O-N 3.24Å; G592-S594 PolarHBondContact O-N 2.69Å; G592-E595 PolarHBondContact O-N 3.17Å; G592-V596 WeakPolarHBondContact O-CG2 3.38Å; G592-V596 PolarHBondContact O-N 3.13Å |
| 593 | L | 90.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.2 | -36 | -177.8 | -173.6 | 71.1 | 0 | 0 | 0 | 112.2 | L589 E595 V596 A597 F625 V628 Y629 L632 | L589-L593 VanDerWaalsContact O-CB 3.26Å; L589-L593 WeakPolarHBondContact O-CB 3.35Å; L589-L593 PolarHBondContact O-N 3.46Å; L593-E595 VanDerWaalsContact C-N 3.31Å; L593-E595 PolarHBondContact O-N 3.21Å; L593-V596 PolarHBondContact O-N 3.24Å; L593-A597 WeakPolarHBondContact O-CB 3.37Å; L593-A597 PolarHBondContact O-N 2.74Å; L593-F625 HydrophobicContact CD1-CE2 4.2Å; L593-F625 HydrophobicContact CD1-CZ 4.21Å; L593-V628 HydrophobicContact CB-CG1 4.35Å; L593-V628 HydrophobicContact CD2-CG1 3.91Å; L593-Y629 HydrophobicContact CD1-CD2 4.15Å; L593-Y629 HydrophobicContact CD1-CE2 4.09Å; L593-Y629 HydrophobicContact CD2-CD2 3.46Å; L593-Y629 VanDerWaalsContact CD2-CD2 3.46Å; L593-Y629 HydrophobicContact CD2-CE2 4.08Å; L593-Y629 HydrophobicContact CD2-CG 4.14Å; L593-Y629 HydrophobicContact CG-CD2 4.39Å; L593-L632 HydrophobicContact CD2-CD2 4.21Å; L593-L632 HydrophobicContact CG-CD2 4.26Å |
| 594 | S | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 176.7 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | F590 V591 G592 R598 Y679 | F590-S594 VanDerWaalsContact O-CB 3.27Å; F590-S594 WeakPolarHBondContact O-CB 3.47Å; F590-S594 PolarHBondContact O-N 3.33Å; F590-S594 PolarHBondContact O-OG 3.4Å; V591-S594 PolarHBondContact O-N 3.4Å; G592-S594 PolarHBondContact O-N 2.69Å; S594-R598 WeakPolarHBondContact O-CB 3.39Å; S594-R598 PolarHBondContact O-N 3.31Å; S594-Y679 PolarHBondContact O-OH 3.08Å |
| 595 | E | 83.6 | Confident | 85.3 | Confident | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.4 | -41.6 | 176.4 | -178.7 | 58.6 | -166.5 | 0 | 0 | 112 | I546 I560 F562 V591 G592 L593 A597 R598 V599 Y611 | I546-E595 HydrophobicContact CD1-CB 4.35Å; I560-E595 HydrophobicContact CG2-CB 3.85Å; I560-E595 HydrophobicContact CG2-CG 3.79Å; F562-E595 HydrophobicContact CD2-CG 4.39Å; F562-E595 HydrophobicContact CE2-CB 4.11Å; F562-E595 HydrophobicContact CE2-CG 3.67Å; V591-E595 PolarHBondContact O-N 3.02Å; G592-E595 PolarHBondContact O-N 3.17Å; L593-E595 VanDerWaalsContact C-N 3.31Å; L593-E595 PolarHBondContact O-N 3.21Å; E595-A597 VanDerWaalsContact C-N 3.34Å; E595-A597 PolarHBondContact O-N 3.2Å; E595-R598 WeakPolarHBondContact O-CB 3.44Å; E595-R598 PolarHBondContact O-N 2.96Å; E595-R598 IonicContact OE1-CZ 2.99Å; E595-R598 IonicContact OE1-NE 3.36Å; E595-R598 PolarHBondContact OE1-NE 2.73Å; E595-R598 IonicContact OE1-NH2 3.5Å; E595-R598 PolarHBondContact OE1-NH2 3.4Å; E595-R598 IonicContact OE2-CZ 3.1Å; E595-R598 IonicContact OE2-NE 2.61Å; E595-R598 PolarHBondContact OE2-NE 3.4Å; E595-R598 IonicContact OE2-NH2 2.76Å; E595-R598 PolarHBondContact OE2-NH2 3Å; E595-V599 WeakPolarHBondContact O-CG2 3.21Å; E595-V599 PolarHBondContact O-N 3.38Å; E595-Y611 HydrophobicContact CG-CE2 4.42Å |
| 596 | V | 88 | Confident | 84.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.6 | -48.7 | 171.6 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | F562 G592 L593 R598 V599 F600 T608 L612 I615 L723 | F562-V596 HydrophobicContact CZ-CG2 4.32Å; G592-V596 WeakPolarHBondContact O-CG2 3.38Å; G592-V596 PolarHBondContact O-N 3.13Å; L593-V596 PolarHBondContact O-N 3.24Å; V596-R598 VanDerWaalsContact C-N 3.31Å; V596-R598 PolarHBondContact O-N 3.27Å; V596-V599 PolarHBondContact O-N 2.93Å; V596-F600 WeakPolarHBondContact O-CB 3.4Å; V596-F600 PolarHBondContact O-N 3.44Å; V596-T608 HydrophobicContact CG1-CG2 3.72Å; V596-L612 HydrophobicContact CG1-CD2 3.61Å; V596-L612 HydrophobicContact CG1-CG 3.82Å; V596-L612 HydrophobicContact CG2-CD2 4.42Å; V596-I615 HydrophobicContact CB-CD1 4.47Å; V596-I615 HydrophobicContact CG2-CD1 3.53Å; V596-L723 HydrophobicContact CG1-CD1 4.04Å |
| 597 | A | 88.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L593 E595 V599 F600 W601 L632 Y679 L723 | L593-A597 WeakPolarHBondContact O-CB 3.37Å; L593-A597 PolarHBondContact O-N 2.74Å; E595-A597 VanDerWaalsContact C-N 3.34Å; E595-A597 PolarHBondContact O-N 3.2Å; A597-V599 PolarHBondContact O-N 3.23Å; A597-F600 PolarHBondContact O-N 3.46Å; A597-W601 HydrophobicContact CB-CE3 4.41Å; A597-W601 HydrophobicContact CB-CZ3 4.17Å; A597-W601 PolarHBondContact O-N 3.16Å; A597-L632 HydrophobicContact CB-CD2 3.7Å; A597-Y679 HydrophobicContact CB-CE1 3.81Å; A597-L723 HydrophobicContact CB-CD2 3.95Å |
| 598 | R | 83.5 | Confident | 84.2 | Confident | 15 Ų | 15 | 25.3 Ų | 25.3 | 6% | 0.057 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 175.2 | -170.7 | -176.6 | 73.8 | 79.9 | -0.7 | 111.8 | S594 E595 V596 F600 W601 M602 F677 | S594-R598 WeakPolarHBondContact O-CB 3.39Å; S594-R598 PolarHBondContact O-N 3.31Å; E595-R598 WeakPolarHBondContact O-CB 3.44Å; E595-R598 PolarHBondContact O-N 2.96Å; E595-R598 IonicContact OE1-CZ 2.99Å; E595-R598 IonicContact OE1-NE 3.36Å; E595-R598 PolarHBondContact OE1-NE 2.73Å; E595-R598 IonicContact OE1-NH2 3.5Å; E595-R598 PolarHBondContact OE1-NH2 3.4Å; E595-R598 IonicContact OE2-CZ 3.1Å; E595-R598 IonicContact OE2-NE 2.61Å; E595-R598 PolarHBondContact OE2-NE 3.4Å; E595-R598 IonicContact OE2-NH2 2.76Å; E595-R598 PolarHBondContact OE2-NH2 3Å; V596-R598 VanDerWaalsContact C-N 3.31Å; V596-R598 PolarHBondContact O-N 3.27Å; R598-F600 VanDerWaalsContact C-N 3.33Å; R598-F600 PolarHBondContact O-N 3.1Å; R598-W601 PolarHBondContact O-N 3.36Å; R598-M602 PolarHBondContact NH1-SD 2.87Å; R598-M602 WeakPolarHBondContact O-CG 3.47Å; R598-M602 PolarHBondContact O-N 2.71Å; R598-F677 HydrophobicContact CB-CD1 4.29Å; R598-F677 HydrophobicContact CB-CE1 4.33Å; R598-F677 HydrophobicContact CG-CB 4.25Å; R598-F677 HydrophobicContact CG-CD1 3.79Å; R598-F677 HydrophobicContact CG-CD2 3.64Å; R598-F677 HydrophobicContact CG-CE1 3.99Å; R598-F677 HydrophobicContact CG-CE2 3.85Å; R598-F677 HydrophobicContact CG-CG 3.6Å; R598-F677 HydrophobicContact CG-CZ 4.02Å |
| 599 | V | 81.8 | Confident | 84 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | P403 E595 V596 A597 M602 R603 F604 Q607 Y611 | P403-V599 HydrophobicContact CB-CB 4.49Å; P403-V599 HydrophobicContact CB-CG1 4.26Å; P403-V599 HydrophobicContact CB-CG2 3.46Å; P403-V599 VanDerWaalsContact CB-CG2 3.46Å; P403-V599 HydrophobicContact CG-CG2 4.11Å; E595-V599 WeakPolarHBondContact O-CG2 3.21Å; E595-V599 PolarHBondContact O-N 3.38Å; V596-V599 PolarHBondContact O-N 2.93Å; A597-V599 PolarHBondContact O-N 3.23Å; V599-M602 WeakPolarHBondContact O-CB 3.33Å; V599-M602 PolarHBondContact O-N 3.28Å; V599-R603 PolarHBondContact O-N 3.13Å; V599-F604 HydrophobicContact CG1-CB 3.82Å; V599-F604 PolarHBondContact O-N 3.24Å; V599-Q607 HydrophobicContact CG1-CB 3.94Å; V599-Q607 HydrophobicContact CG1-CG 4Å; V599-Y611 HydrophobicContact CG2-CD2 4.1Å; V599-Y611 HydrophobicContact CG2-CE2 3.74Å |
| 600 | F | 85.8 | Confident | 83.5 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.1 | -173.4 | -107.7 | 0 | 0 | 0 | 112 | V596 A597 R598 M602 R603 K605 T608 T719 E722 L723 L726 | V596-F600 WeakPolarHBondContact O-CB 3.4Å; V596-F600 PolarHBondContact O-N 3.44Å; A597-F600 PolarHBondContact O-N 3.46Å; R598-F600 VanDerWaalsContact C-N 3.33Å; R598-F600 PolarHBondContact O-N 3.1Å; F600-M602 PolarHBondContact O-N 3.14Å; F600-R603 VanDerWaalsContact O-CA 3.31Å; F600-R603 WeakPolarHBondContact O-CA 3.49Å; F600-R603 PolarHBondContact O-N 3.49Å; F600-K605 HydrophobicContact CE2-CG 4.22Å; F600-T608 VanDerWaalsContact CA-OG1 3.31Å; F600-T608 WeakPolarHBondContact CA-OG1 3.33Å; F600-T608 HydrophobicContact CB-CG2 3.81Å; F600-T608 HydrophobicContact CD2-CG2 3.83Å; F600-T608 HydrophobicContact CG-CG2 4.21Å; F600-T608 PolarHBondContact N-OG1 3.4Å; F600-T719 HydrophobicContact CD1-CG2 3.85Å; F600-T719 HydrophobicContact CE1-CG2 3.63Å; F600-T719 WeakPolarHBondContact CE1-O 3.25Å; F600-E722 HydrophobicContact CE1-CB 4.25Å; F600-E722 HydrophobicContact CZ-CB 4.06Å; F600-L723 HydrophobicContact CB-CD1 4.04Å; F600-L723 HydrophobicContact CD1-CB 3.89Å; F600-L723 HydrophobicContact CD1-CD1 4.18Å; F600-L723 HydrophobicContact CD1-CG 4.45Å; F600-L723 HydrophobicContact CD2-CD1 4.08Å; F600-L723 HydrophobicContact CE1-CB 3.93Å; F600-L723 HydrophobicContact CG-CB 4.41Å; F600-L723 HydrophobicContact CG-CD1 3.83Å; F600-L723 HydrophobicContact CZ-CB 4.47Å; F600-L726 HydrophobicContact CD2-CD2 4.29Å; F600-L726 HydrophobicContact CE2-CD2 4Å |
| 601 | W | 83.9 | Confident | 83.3 | Confident | 20 Ų | 20 | 26.1 Ų | 26.1 | 8% | 0.076 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -29.8 | 174.3 | -97.5 | -117 | 0 | 0 | 0 | 112.4 | A597 R598 R603 L636 F677 Y679 A716 T719 L720 L723 | A597-W601 HydrophobicContact CB-CE3 4.41Å; A597-W601 HydrophobicContact CB-CZ3 4.17Å; A597-W601 PolarHBondContact O-N 3.16Å; R598-W601 PolarHBondContact O-N 3.36Å; W601-R603 PolarHBondContact O-N 2.97Å; W601-R603 VanDerWaalsContact O-N 3.14Å; W601-L636 HydrophobicContact CZ2-CD1 4.19Å; W601-F677 HydrophobicContact CB-CE1 4.11Å; W601-F677 HydrophobicContact CB-CZ 3.59Å; W601-F677 HydrophobicContact CG-CE1 4.35Å; W601-F677 HydrophobicContact CG-CZ 4.2Å; W601-Y679 VanDerWaalsContact CD1-O 3.29Å; W601-Y679 AromaticContact CD2-CD1 3.96Å; W601-Y679 HydrophobicContact CD2-CD1 3.96Å; W601-Y679 AromaticContact CE2-CD1 3.89Å; W601-Y679 HydrophobicContact CE3-CD1 4.4Å; W601-Y679 HydrophobicContact CG-CD1 4.24Å; W601-Y679 HydrophobicContact CZ2-CD1 4.22Å; W601-Y679 PolarHBondContact NE1-O 2.91Å; W601-A716 HydrophobicContact CZ2-CB 4.14Å; W601-A716 VanDerWaalsContact CZ2-O 3.24Å; W601-A716 WeakPolarHBondContact CZ2-O 3.37Å; W601-T719 HydrophobicContact CD2-CG2 3.69Å; W601-T719 HydrophobicContact CE3-CG2 3.66Å; W601-T719 HydrophobicContact CG-CG2 4.46Å; W601-T719 HydrophobicContact CH2-CG2 3.79Å; W601-T719 HydrophobicContact CZ2-CG2 3.77Å; W601-T719 HydrophobicContact CZ3-CG2 3.73Å; W601-L720 HydrophobicContact CH2-CB 3.8Å; W601-L720 HydrophobicContact CH2-CD1 4.07Å; W601-L720 HydrophobicContact CH2-CG 4.37Å; W601-L723 HydrophobicContact CZ3-CD2 4.33Å |
| 602 | M | 76 | Confident | 83.2 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 1.8 | 171.1 | -65.9 | 176.5 | 67.4 | 0 | 0 | 113.8 | S24 R25 M26 Y402 P403 R598 V599 F600 F604 F677 | S24-M602 VanDerWaalsContact O-CA 3.24Å; S24-M602 WeakPolarHBondContact O-CA 3.29Å; R25-M602 WeakPolarHBondContact CD-O 3.44Å; R25-M602 PolarHBondContact NH1-O 3.24Å; R25-M602 VanDerWaalsContact NH1-O 3.08Å; R25-M602 WeakPolarHBondContact O-CE 3.41Å; M26-M602 HydrophobicContact CB-CE 3.95Å; M26-M602 HydrophobicContact CG-CE 4.29Å; M26-M602 HydrophobicContact CG-CG 4.03Å; M26-M602 HydrophobicContact CG-SD 4.32Å; M26-M602 HydrophobicContact SD-CE 4.25Å; M26-M602 HydrophobicContact SD-CG 3.87Å; M26-M602 HydrophobicContact SD-SD 3.71Å; Y402-M602 HydrophobicContact CD2-CE 4.12Å; Y402-M602 HydrophobicContact CE1-CE 4.17Å; Y402-M602 HydrophobicContact CE2-CE 3.34Å; Y402-M602 WeakPolarHBondContact OH-CE 2.93Å; P403-M602 HydrophobicContact CG-CE 3.72Å; P403-M602 HydrophobicContact CG-SD 3.83Å; R598-M602 PolarHBondContact NH1-SD 2.87Å; R598-M602 WeakPolarHBondContact O-CG 3.47Å; R598-M602 PolarHBondContact O-N 2.71Å; V599-M602 WeakPolarHBondContact O-CB 3.33Å; V599-M602 PolarHBondContact O-N 3.28Å; F600-M602 PolarHBondContact O-N 3.14Å; M602-F604 VanDerWaalsContact C-N 3.35Å; M602-F604 HydrophobicContact CB-CD2 3.53Å; M602-F604 HydrophobicContact CB-CE2 3.72Å; M602-F604 HydrophobicContact CE-CD2 4.46Å; M602-F604 HydrophobicContact CE-CE2 3.92Å; M602-F604 WeakPolarHBondContact O-CD2 3.25Å; M602-F604 WeakPolarHBondContact O-CE2 3.2Å; M602-F677 HydrophobicContact CG-CE2 4.41Å |
| 603 | R | 76.6 | Confident | 83 | Confident | 132 Ų | 132 | 29.5 Ų | 29.5 | 50% | 0.498 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 28.1 | 179.9 | -61.5 | -172.3 | 169.7 | 178.4 | -1.7 | 114.3 | H22 R25 V599 F600 W601 K605 | H22-R603 PolarHBondContact CE1-NH1 3.27Å; H22-R603 PolarHBondContact NE2-NH1 2.75Å; R25-R603 PolarHBondContact NH1-O 2.83Å; V599-R603 PolarHBondContact O-N 3.13Å; F600-R603 VanDerWaalsContact O-CA 3.31Å; F600-R603 WeakPolarHBondContact O-CA 3.49Å; F600-R603 PolarHBondContact O-N 3.49Å; W601-R603 PolarHBondContact O-N 2.97Å; W601-R603 VanDerWaalsContact O-N 3.14Å; R603-K605 PolarHBondContact O-N 3.39Å |
| 604 | F | 78.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | trans | -98.3 | 77.2 | 175.6 | -64.7 | -69.6 | 0 | 0 | 0 | 110.6 | Y402 P403 I428 V599 M602 E606 Q607 T608 | Y402-F604 AromaticContact CE1-CE2 3.75Å; Y402-F604 HydrophobicContact CE1-CE2 3.75Å; Y402-F604 AromaticContact CE1-CZ 3.69Å; Y402-F604 HydrophobicContact CE1-CZ 3.69Å; Y402-F604 AromaticContact CZ-CE2 3.77Å; Y402-F604 AromaticContact CZ-CZ 3.88Å; Y402-F604 WeakPolarHBondContact OH-CE2 3.46Å; Y402-F604 WeakPolarHBondContact OH-CZ 3.43Å; P403-F604 HydrophobicContact CG-CD2 4.41Å; I428-F604 HydrophobicContact CD1-CE1 3.81Å; I428-F604 HydrophobicContact CD1-CZ 4.13Å; I428-F604 HydrophobicContact CG1-CE1 4.07Å; I428-F604 HydrophobicContact CG1-CZ 4.46Å; V599-F604 HydrophobicContact CG1-CB 3.82Å; V599-F604 PolarHBondContact O-N 3.24Å; M602-F604 VanDerWaalsContact C-N 3.35Å; M602-F604 HydrophobicContact CB-CD2 3.53Å; M602-F604 HydrophobicContact CB-CE2 3.72Å; M602-F604 HydrophobicContact CE-CD2 4.46Å; M602-F604 HydrophobicContact CE-CE2 3.92Å; M602-F604 WeakPolarHBondContact O-CD2 3.25Å; M602-F604 WeakPolarHBondContact O-CE2 3.2Å; F604-E606 PolarHBondContact O-N 3.27Å; F604-Q607 HydrophobicContact CB-CB 4.12Å; F604-Q607 PolarHBondContact O-N 2.94Å; F604-T608 WeakPolarHBondContact O-CB 3.21Å; F604-T608 PolarHBondContact O-N 3.3Å; F604-T608 PolarHBondContact O-OG1 3.32Å | ||
| 605 | K | 78.5 | Confident | 82.4 | Confident | 128 Ų | 128 | 30.2 Ų | 30.2 | 56% | 0.557 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -62.3 | -40.5 | -174.1 | -68.7 | -173.7 | 177.7 | -176 | 0 | 113 | F600 R603 T608 L609 | F600-K605 HydrophobicContact CE2-CG 4.22Å; R603-K605 PolarHBondContact O-N 3.39Å; K605-T608 WeakPolarHBondContact O-CB 3.35Å; K605-T608 PolarHBondContact O-N 3.09Å; K605-L609 WeakPolarHBondContact O-CG 3.26Å; K605-L609 PolarHBondContact O-N 3.15Å |
| 606 | E | 76.6 | Confident | 82.3 | Confident | 93 Ų | 93 | 29.6 Ų | 29.6 | 44% | 0.435 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -68.4 | -44.8 | -179.2 | -169.4 | 170.6 | 157.4 | 0 | 0 | 112 | T424 F604 T608 L609 N610 | T424-E606 HydrophobicContact CG2-CB 4.14Å; T424-E606 HydrophobicContact CG2-CG 4.38Å; T424-E606 WeakPolarHBondContact CG2-OE2 3.16Å; F604-E606 PolarHBondContact O-N 3.27Å; E606-T608 VanDerWaalsContact C-N 3.28Å; E606-T608 PolarHBondContact O-N 3.39Å; E606-L609 WeakPolarHBondContact O-CB 3.34Å; E606-L609 PolarHBondContact O-N 3.44Å; E606-L609 VanDerWaalsContact O-N 3.1Å; E606-N610 PolarHBondContact O-N 3.12Å |
| 607 | Q | 77.3 | Confident | 81.7 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 174 | -167 | 64.6 | 4.2 | 0 | 0 | 111.9 | P403 V599 F604 L609 N610 Y611 | P403-Q607 PolarHBondContact O-NE2 2.68Å; V599-Q607 HydrophobicContact CG1-CB 3.94Å; V599-Q607 HydrophobicContact CG1-CG 4Å; F604-Q607 HydrophobicContact CB-CB 4.12Å; F604-Q607 PolarHBondContact O-N 2.94Å; Q607-L609 VanDerWaalsContact C-N 3.33Å; Q607-L609 PolarHBondContact O-N 3.46Å; Q607-N610 PolarHBondContact O-N 2.9Å; Q607-Y611 HydrophobicContact CG-CE1 4.09Å; Q607-Y611 HydrophobicContact CG-CE2 4.22Å; Q607-Y611 PolarHBondContact NE2-OH 3.14Å; Q607-Y611 VanDerWaalsContact NE2-OH 3.12Å; Q607-Y611 PolarHBondContact O-N 2.83Å |
| 608 | T | 84.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 172 | -55 | 0 | 0 | 0 | 0 | 110.7 | V596 F600 F604 K605 E606 N610 Y611 L612 L723 L726 | V596-T608 HydrophobicContact CG1-CG2 3.72Å; F600-T608 VanDerWaalsContact CA-OG1 3.31Å; F600-T608 WeakPolarHBondContact CA-OG1 3.33Å; F600-T608 HydrophobicContact CB-CG2 3.81Å; F600-T608 HydrophobicContact CD2-CG2 3.83Å; F600-T608 HydrophobicContact CG-CG2 4.21Å; F600-T608 PolarHBondContact N-OG1 3.4Å; F604-T608 WeakPolarHBondContact O-CB 3.21Å; F604-T608 PolarHBondContact O-N 3.3Å; F604-T608 PolarHBondContact O-OG1 3.32Å; K605-T608 WeakPolarHBondContact O-CB 3.35Å; K605-T608 PolarHBondContact O-N 3.09Å; E606-T608 VanDerWaalsContact C-N 3.28Å; E606-T608 PolarHBondContact O-N 3.39Å; T608-N610 VanDerWaalsContact C-N 3.34Å; T608-N610 PolarHBondContact O-N 3.24Å; T608-Y611 PolarHBondContact O-N 3.48Å; T608-L612 HydrophobicContact CG2-CD1 4.11Å; T608-L612 HydrophobicContact CG2-CG 4.35Å; T608-L612 WeakPolarHBondContact O-CB 3.49Å; T608-L612 VanDerWaalsContact O-CG 3.28Å; T608-L612 WeakPolarHBondContact O-CG 3.19Å; T608-L612 PolarHBondContact O-N 3.3Å; T608-L723 HydrophobicContact CG2-CD1 3.76Å; T608-L726 HydrophobicContact CG2-CD2 4.22Å |
| 609 | L | 83.8 | Confident | 80.4 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 176.2 | -73.8 | 169.4 | 0 | 0 | 0 | 111.9 | K605 E606 Q607 L612 K613 L726 L730 | K605-L609 WeakPolarHBondContact O-CG 3.26Å; K605-L609 PolarHBondContact O-N 3.15Å; E606-L609 WeakPolarHBondContact O-CB 3.34Å; E606-L609 PolarHBondContact O-N 3.44Å; E606-L609 VanDerWaalsContact O-N 3.1Å; Q607-L609 VanDerWaalsContact C-N 3.33Å; Q607-L609 PolarHBondContact O-N 3.46Å; L609-L612 PolarHBondContact O-N 2.78Å; L609-K613 WeakPolarHBondContact O-CG 3.45Å; L609-K613 PolarHBondContact O-N 3.42Å; L609-L726 HydrophobicContact CD2-CD1 3.82Å; L609-L726 HydrophobicContact CD2-CD2 4.04Å; L609-L726 HydrophobicContact CD2-CG 3.82Å; L609-L726 HydrophobicContact CG-CD1 4.42Å; L609-L726 HydrophobicContact CG-CD2 4.28Å; L609-L730 HydrophobicContact CD2-CD1 4.44Å; L609-L730 HydrophobicContact CD2-CD2 4.12Å |
| 610 | N | 80.9 | Confident | 79.9 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.3 | -43 | 176.5 | -67.5 | -22.5 | 0 | 0 | 0 | 111.8 | E606 Q607 T608 K613 C614 | E606-N610 PolarHBondContact O-N 3.12Å; Q607-N610 PolarHBondContact O-N 2.9Å; T608-N610 VanDerWaalsContact C-N 3.34Å; T608-N610 PolarHBondContact O-N 3.24Å; N610-K613 PolarHBondContact O-N 2.9Å; N610-C614 PolarHBondContact O-N 2.82Å; N610-C614 PolarHBondContact O-SG 3.08Å |
| 611 | Y | 85 | Confident | 79.2 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70 | -36.3 | 176.6 | -68.9 | -3.4 | 0 | 0 | 0 | 112.5 | P403 F562 E595 V599 Q607 T608 C614 I615 | P403-Y611 PolarHBondContact O-OH 3.17Å; P403-Y611 VanDerWaalsContact O-OH 3.12Å; F562-Y611 HydrophobicContact CB-CD1 3.79Å; F562-Y611 HydrophobicContact CB-CE1 3.55Å; F562-Y611 AromaticContact CD1-CD1 3.8Å; F562-Y611 HydrophobicContact CD1-CD1 3.8Å; F562-Y611 HydrophobicContact CD1-CE1 4.39Å; F562-Y611 AromaticContact CD1-CG 3.98Å; F562-Y611 HydrophobicContact CD1-CG 3.98Å; F562-Y611 AromaticContact CD2-CD1 3.92Å; F562-Y611 HydrophobicContact CD2-CD1 3.92Å; F562-Y611 AromaticContact CD2-CD2 3.86Å; F562-Y611 HydrophobicContact CD2-CD2 3.86Å; F562-Y611 AromaticContact CD2-CE1 3.89Å; F562-Y611 HydrophobicContact CD2-CE1 3.89Å; F562-Y611 AromaticContact CD2-CE2 3.82Å; F562-Y611 HydrophobicContact CD2-CE2 3.82Å; F562-Y611 AromaticContact CD2-CG 3.91Å; F562-Y611 HydrophobicContact CD2-CG 3.91Å; F562-Y611 AromaticContact CD2-CZ 3.86Å; F562-Y611 HydrophobicContact CE1-CD1 4.36Å; F562-Y611 HydrophobicContact CE1-CG 4.07Å; F562-Y611 HydrophobicContact CE2-CD1 4.46Å; F562-Y611 AromaticContact CE2-CD2 3.8Å; F562-Y611 HydrophobicContact CE2-CD2 3.8Å; F562-Y611 HydrophobicContact CE2-CE2 4.1Å; F562-Y611 HydrophobicContact CE2-CG 4Å; F562-Y611 AromaticContact CG-CD1 3.55Å; F562-Y611 HydrophobicContact CG-CD1 3.55Å; F562-Y611 HydrophobicContact CG-CD2 4.32Å; F562-Y611 AromaticContact CG-CE1 3.69Å; F562-Y611 HydrophobicContact CG-CE1 3.69Å; F562-Y611 HydrophobicContact CG-CE2 4.42Å; F562-Y611 AromaticContact CG-CG 3.9Å; F562-Y611 HydrophobicContact CG-CG 3.9Å; F562-Y611 HydrophobicContact CZ-CD2 4.21Å; F562-Y611 HydrophobicContact CZ-CG 4.08Å; E595-Y611 HydrophobicContact CG-CE2 4.42Å; V599-Y611 HydrophobicContact CG2-CD2 4.1Å; V599-Y611 HydrophobicContact CG2-CE2 3.74Å; Q607-Y611 HydrophobicContact CG-CE1 4.09Å; Q607-Y611 HydrophobicContact CG-CE2 4.22Å; Q607-Y611 PolarHBondContact NE2-OH 3.14Å; Q607-Y611 VanDerWaalsContact NE2-OH 3.12Å; Q607-Y611 PolarHBondContact O-N 2.83Å; T608-Y611 PolarHBondContact O-N 3.48Å; Y611-C614 WeakPolarHBondContact O-CB 3.29Å; Y611-C614 PolarHBondContact O-N 3.45Å; Y611-I615 PolarHBondContact O-N 2.82Å; Y611-I615 VanDerWaalsContact O-N 3.14Å |
| 612 | L | 87.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 172.9 | -77.4 | 175.5 | 0 | 0 | 0 | 111.1 | V596 T608 L609 C614 I615 I616 L723 L726 L727 L730 | V596-L612 HydrophobicContact CG1-CD2 3.61Å; V596-L612 HydrophobicContact CG1-CG 3.82Å; V596-L612 HydrophobicContact CG2-CD2 4.42Å; T608-L612 HydrophobicContact CG2-CD1 4.11Å; T608-L612 HydrophobicContact CG2-CG 4.35Å; T608-L612 WeakPolarHBondContact O-CB 3.49Å; T608-L612 VanDerWaalsContact O-CG 3.28Å; T608-L612 WeakPolarHBondContact O-CG 3.19Å; T608-L612 PolarHBondContact O-N 3.3Å; L609-L612 PolarHBondContact O-N 2.78Å; L612-C614 VanDerWaalsContact C-N 3.27Å; L612-C614 PolarHBondContact O-N 3.11Å; L612-I615 WeakPolarHBondContact O-CA 3.09Å; L612-I615 WeakPolarHBondContact O-CB 3.23Å; L612-I615 PolarHBondContact O-N 3.12Å; L612-I616 WeakPolarHBondContact O-CG1 3.28Å; L612-I616 PolarHBondContact O-N 3.44Å; L612-L723 HydrophobicContact CD1-CD1 4.4Å; L612-L726 HydrophobicContact CD1-CD2 4.23Å; L612-L726 HydrophobicContact CD1-CG 4.45Å; L612-L727 HydrophobicContact CD1-CB 4.37Å; L612-L727 HydrophobicContact CD2-CD1 4.15Å; L612-L730 HydrophobicContact CB-CD2 3.72Å; L612-L730 HydrophobicContact CD1-CD2 4.46Å |
| 613 | K | 83 | Confident | 78.6 | Confident | 71 Ų | 71 | 51 Ų | 51 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.6 | -42.7 | 174.1 | -71.8 | 171.6 | -176.2 | 169.7 | 0 | 112.1 | L609 N610 I615 I616 H617 L730 | L609-K613 WeakPolarHBondContact O-CG 3.45Å; L609-K613 PolarHBondContact O-N 3.42Å; N610-K613 PolarHBondContact O-N 2.9Å; K613-I615 VanDerWaalsContact C-N 3.26Å; K613-I615 PolarHBondContact O-N 2.94Å; K613-I616 PolarHBondContact O-N 2.91Å; K613-H617 PolarHBondContact O-CD2 3.34Å; K613-H617 PolarHBondContact O-N 3.22Å; K613-H617 VanDerWaalsContact O-N 3.08Å; K613-L730 HydrophobicContact CG-CD2 4.2Å |
| 614 | C | 82.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -34.6 | 176 | -59.9 | 0 | 0 | 0 | 0 | 113 | F562 D566 N610 Y611 L612 | F562-C614 HydrophobicContact CD1-CB 3.62Å; F562-C614 HydrophobicContact CE1-CB 3.88Å; D566-C614 WeakPolarHBondContact O-CA 3.36Å; N610-C614 PolarHBondContact O-N 2.82Å; N610-C614 PolarHBondContact O-SG 3.08Å; Y611-C614 WeakPolarHBondContact O-CB 3.29Å; Y611-C614 PolarHBondContact O-N 3.45Å; L612-C614 VanDerWaalsContact C-N 3.27Å; L612-C614 PolarHBondContact O-N 3.11Å |
| 615 | I | 84.4 | Confident | 79.2 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.6 | -41.4 | 176.5 | -66.7 | 179 | 0 | 0 | 0 | 111 | F562 Y568 L589 V596 Y611 L612 K613 H617 D618 | F562-I615 HydrophobicContact CE1-CG1 4.34Å; Y568-I615 HydrophobicContact CE1-CG1 4.44Å; L589-I615 HydrophobicContact CD1-CG2 3.31Å; V596-I615 HydrophobicContact CB-CD1 4.47Å; V596-I615 HydrophobicContact CG2-CD1 3.53Å; Y611-I615 PolarHBondContact O-N 2.82Å; Y611-I615 VanDerWaalsContact O-N 3.14Å; L612-I615 WeakPolarHBondContact O-CA 3.09Å; L612-I615 WeakPolarHBondContact O-CB 3.23Å; L612-I615 PolarHBondContact O-N 3.12Å; K613-I615 VanDerWaalsContact C-N 3.26Å; K613-I615 PolarHBondContact O-N 2.94Å; I615-H617 PolarHBondContact O-N 3.07Å; I615-D618 WeakPolarHBondContact O-CB 3.4Å; I615-D618 PolarHBondContact O-N 3.08Å |
| 616 | I | 80.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 179.7 | -70.4 | 175.1 | 0 | 0 | 0 | 111 | L612 K613 D618 W622 L727 L730 E734 W740 I744 | L612-I616 WeakPolarHBondContact O-CG1 3.28Å; L612-I616 PolarHBondContact O-N 3.44Å; K613-I616 PolarHBondContact O-N 2.91Å; I616-D618 PolarHBondContact O-N 3.49Å; I616-W622 HydrophobicContact CB-CH2 3.97Å; I616-W622 HydrophobicContact CB-CZ2 3.79Å; I616-W622 HydrophobicContact CD1-CH2 4.45Å; I616-W622 HydrophobicContact CG1-CH2 3.63Å; I616-W622 HydrophobicContact CG1-CZ2 4Å; I616-W622 HydrophobicContact CG2-CH2 3.77Å; I616-W622 HydrophobicContact CG2-CZ2 3.45Å; I616-W622 VanDerWaalsContact CG2-CZ2 3.45Å; I616-W622 VanDerWaalsContact O-CZ2 3.3Å; I616-W622 WeakPolarHBondContact O-CZ2 3.37Å; I616-W622 PolarHBondContact O-NE1 3.22Å; I616-L727 HydrophobicContact CD1-CD1 3.88Å; I616-L727 HydrophobicContact CG1-CD1 4.04Å; I616-L730 HydrophobicContact CD1-CB 4.4Å; I616-L730 HydrophobicContact CD1-CD2 3.39Å; I616-L730 HydrophobicContact CD1-CG 3.65Å; I616-E734 WeakPolarHBondContact CG2-OE2 3.44Å; I616-W740 HydrophobicContact CG2-CH2 3.82Å; I616-W740 HydrophobicContact CG2-CZ3 4.17Å; I616-I744 HydrophobicContact CG2-CD1 4.42Å |
| 617 | H | 75.7 | Confident | 79.8 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 39% | 0.394 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.8 | 175.6 | -81.4 | -60.9 | 0 | 0 | 0 | 114.3 | K613 I615 Q619 W740 | K613-H617 PolarHBondContact O-CD2 3.34Å; K613-H617 PolarHBondContact O-N 3.22Å; K613-H617 VanDerWaalsContact O-N 3.08Å; I615-H617 PolarHBondContact O-N 3.07Å; H617-Q619 PolarHBondContact O-N 3.45Å; H617-Q619 VanDerWaalsContact O-N 3.12Å; H617-W740 AromaticContact CE1-CH2 3.92Å; H617-W740 AromaticContact CE1-CZ2 3.56Å |
| 618 | D | 76.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | trans | -83.1 | 83.5 | 174.2 | -167.7 | -11.7 | 0 | 0 | 0 | 111.3 | Y568 R588 I615 I616 T620 A621 | Y568-D618 HydrophobicContact CE1-CB 4.42Å; Y568-D618 PolarHBondContact OH-OD2 3.49Å; R588-D618 IonicContact NE-OD2 3.49Å; I615-D618 WeakPolarHBondContact O-CB 3.4Å; I615-D618 PolarHBondContact O-N 3.08Å; I616-D618 PolarHBondContact O-N 3.49Å; D618-T620 PolarHBondContact O-N 3.21Å; D618-T620 PolarHBondContact OD1-N 3.36Å; D618-T620 PolarHBondContact OD1-OG1 3.49Å; D618-A621 HydrophobicContact CB-CB 4.27Å; D618-A621 WeakPolarHBondContact O-CB 3.43Å; D618-A621 PolarHBondContact O-N 3Å | ||
| 619 | Q | 69.5 | Low | 80.6 | Confident | 138 Ų | 138 | 37.5 Ų | 37.5 | 65% | 0.645 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.4 | -176.8 | -69.2 | -175.9 | -4.5 | 0 | 0 | 114.4 | H617 A621 | H617-Q619 PolarHBondContact O-N 3.45Å; H617-Q619 VanDerWaalsContact O-N 3.12Å; Q619-A621 VanDerWaalsContact C-N 3.26Å; Q619-A621 PolarHBondContact O-N 2.78Å |
| 620 | T | 70.5 | Confident | 80.9 | Confident | 81 Ų | 81 | 35.1 Ų | 35.1 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.5 | -178.8 | 68 | 0 | 0 | 0 | 0 | 113.2 | D618 | D618-T620 PolarHBondContact O-N 3.21Å; D618-T620 PolarHBondContact OD1-N 3.36Å; D618-T620 PolarHBondContact OD1-OG1 3.49Å |
| 621 | A | 71.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -23.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | L589 D618 Q619 K623 H624 F625 | L589-A621 HydrophobicContact CB-CB 4.15Å; L589-A621 HydrophobicContact CD1-CB 4.08Å; L589-A621 HydrophobicContact CD2-CB 4.07Å; L589-A621 WeakPolarHBondContact CD2-O 3.48Å; L589-A621 HydrophobicContact CG-CB 4.32Å; D618-A621 HydrophobicContact CB-CB 4.27Å; D618-A621 WeakPolarHBondContact O-CB 3.43Å; D618-A621 PolarHBondContact O-N 3Å; Q619-A621 VanDerWaalsContact C-N 3.26Å; Q619-A621 PolarHBondContact O-N 2.78Å; A621-K623 PolarHBondContact O-N 3.44Å; A621-H624 WeakPolarHBondContact O-CB 3.48Å; A621-H624 PolarHBondContact O-N 3.49Å; A621-F625 PolarHBondContact O-N 3.01Å |
| 622 | W | 71.3 | Confident | 81.4 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -57.2 | -41.9 | -170.5 | -66.9 | 102.5 | 0 | 0 | 0 | 114.6 | I616 H624 F625 C731 I744 L748 I749 | I616-W622 HydrophobicContact CB-CH2 3.97Å; I616-W622 HydrophobicContact CB-CZ2 3.79Å; I616-W622 HydrophobicContact CD1-CH2 4.45Å; I616-W622 HydrophobicContact CG1-CH2 3.63Å; I616-W622 HydrophobicContact CG1-CZ2 4Å; I616-W622 HydrophobicContact CG2-CH2 3.77Å; I616-W622 HydrophobicContact CG2-CZ2 3.45Å; I616-W622 VanDerWaalsContact CG2-CZ2 3.45Å; I616-W622 VanDerWaalsContact O-CZ2 3.3Å; I616-W622 WeakPolarHBondContact O-CZ2 3.37Å; I616-W622 PolarHBondContact O-NE1 3.22Å; W622-H624 PolarHBondContact O-N 3.17Å; W622-H624 VanDerWaalsContact O-N 3.08Å; W622-F625 VanDerWaalsContact O-CB 3.3Å; W622-F625 WeakPolarHBondContact O-CB 3.49Å; W622-F625 PolarHBondContact O-N 2.97Å; W622-C731 VanDerWaalsContact CH2-SG 3.59Å; W622-I744 HydrophobicContact CH2-CG2 4.15Å; W622-I744 HydrophobicContact CZ2-CD1 4.43Å; W622-I744 HydrophobicContact CZ2-CG1 4.29Å; W622-I744 HydrophobicContact CZ2-CG2 4.33Å; W622-I744 HydrophobicContact CZ3-CG2 4.49Å; W622-L748 HydrophobicContact CB-CD2 3.83Å; W622-I749 HydrophobicContact CE3-CD1 3.61Å; W622-I749 HydrophobicContact CE3-CG1 3.64Å; W622-I749 HydrophobicContact CH2-CD1 4.22Å; W622-I749 HydrophobicContact CZ3-CD1 3.23Å; W622-I749 HydrophobicContact CZ3-CG1 3.79Å |
| 623 | K | 75.5 | Confident | 81.6 | Confident | 144 Ų | 144 | 34.1 Ų | 34.1 | 63% | 0.626 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -62.8 | -19 | -179.7 | 69.7 | -176.2 | -175.2 | 179 | 0 | 113.3 | A621 L748 | A621-K623 PolarHBondContact O-N 3.44Å; K623-L748 VanDerWaalsContact CA-CD2 3.44Å; K623-L748 HydrophobicContact CB-CD2 3.85Å |
| 624 | H | 82.9 | Confident | 81.9 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 22% | 0.222 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -102 | -5 | -179.3 | -60.8 | -58.1 | 0 | 0 | 0 | 112.8 | V586 A621 W622 S627 V628 | V586-H624 HydrophobicContact CB-CB 4.44Å; V586-H624 HydrophobicContact CG2-CB 3.76Å; V586-H624 WeakPolarHBondContact CG2-ND1 3.32Å; A621-H624 WeakPolarHBondContact O-CB 3.48Å; A621-H624 PolarHBondContact O-N 3.49Å; W622-H624 PolarHBondContact O-N 3.17Å; W622-H624 VanDerWaalsContact O-N 3.08Å; H624-S627 PolarHBondContact O-N 2.86Å; H624-S627 VanDerWaalsContact O-N 3.15Å; H624-S627 PolarHBondContact O-OG 3.1Å; H624-V628 WeakPolarHBondContact O-CG2 3.47Å; H624-V628 PolarHBondContact O-N 3.44Å |
| 625 | F | 85.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.9 | -49.6 | -173.5 | -170.5 | -81.9 | 0 | 0 | 0 | 113.5 | L589 L593 A621 W622 S627 V628 Y629 L727 I749 | L589-F625 HydrophobicContact CD1-CD2 4.38Å; L589-F625 HydrophobicContact CD2-CB 4.16Å; L589-F625 HydrophobicContact CD2-CD2 4.04Å; L593-F625 HydrophobicContact CD1-CE2 4.2Å; L593-F625 HydrophobicContact CD1-CZ 4.21Å; A621-F625 PolarHBondContact O-N 3.01Å; W622-F625 VanDerWaalsContact O-CB 3.3Å; W622-F625 WeakPolarHBondContact O-CB 3.49Å; W622-F625 PolarHBondContact O-N 2.97Å; F625-S627 VanDerWaalsContact C-N 3.31Å; F625-S627 PolarHBondContact O-N 3.3Å; F625-V628 PolarHBondContact O-N 3.42Å; F625-Y629 HydrophobicContact CD1-CD2 4.45Å; F625-Y629 AromaticContact CE1-CD2 3.41Å; F625-Y629 HydrophobicContact CE1-CD2 3.41Å; F625-Y629 VanDerWaalsContact CE1-CD2 3.41Å; F625-Y629 HydrophobicContact CE1-CE2 4.08Å; F625-Y629 HydrophobicContact CE1-CG 4.07Å; F625-Y629 HydrophobicContact CE2-CD2 4.46Å; F625-Y629 AromaticContact CZ-CD2 3.38Å; F625-Y629 HydrophobicContact CZ-CD2 3.38Å; F625-Y629 AromaticContact CZ-CE2 3.84Å; F625-Y629 HydrophobicContact CZ-CE2 3.84Å; F625-Y629 HydrophobicContact CZ-CG 4.42Å; F625-Y629 WeakPolarHBondContact O-CB 3.32Å; F625-Y629 PolarHBondContact O-N 3.21Å; F625-L727 HydrophobicContact CD2-CD2 4.3Å; F625-L727 HydrophobicContact CE1-CD2 3.61Å; F625-L727 HydrophobicContact CE2-CD2 3.36Å; F625-L727 HydrophobicContact CZ-CD2 2.96Å; F625-L727 HydrophobicContact CZ-CG 4.47Å; F625-I749 HydrophobicContact CD1-CG2 3.46Å; F625-I749 VanDerWaalsContact CD1-CG2 3.46Å; F625-I749 HydrophobicContact CE1-CG2 3.77Å; F625-I749 HydrophobicContact CG-CG2 4.11Å |
| 626 | P | 84.5 | Confident | 82.3 | Confident | 10 Ų | 10 | 33 Ų | 33 | 7% | 0.065 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | -180 | -20.1 | 31.3 | 0 | 0 | 0 | 112.3 | V628 Y629 F630 L748 V752 | P626-V628 PolarHBondContact O-N 2.87Å; P626-Y629 PolarHBondContact O-N 2.6Å; P626-F630 WeakPolarHBondContact O-CD2 3.31Å; P626-F630 PolarHBondContact O-N 3.06Å; P626-L748 WeakPolarHBondContact CG-O 3.41Å; P626-V752 HydrophobicContact CB-CG2 3.72Å; P626-V752 HydrophobicContact CG-CG2 4.41Å |
| 627 | S | 83.2 | Confident | 82.7 | Confident | 27 Ų | 27 | 32.9 Ų | 32.9 | 19% | 0.189 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 179.1 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | H624 F625 R631 F760 | H624-S627 PolarHBondContact O-N 2.86Å; H624-S627 VanDerWaalsContact O-N 3.15Å; H624-S627 PolarHBondContact O-OG 3.1Å; F625-S627 VanDerWaalsContact C-N 3.31Å; F625-S627 PolarHBondContact O-N 3.3Å; S627-R631 WeakPolarHBondContact O-CB 3.43Å; S627-R631 PolarHBondContact O-N 3.25Å; S627-F760 VanDerWaalsContact CB-CE1 3.43Å |
| 628 | V | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.6 | -37.2 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | V586 L589 F590 L593 H624 F625 P626 R631 L632 | V586-V628 HydrophobicContact CB-CG2 4.5Å; V586-V628 HydrophobicContact CG1-CG2 3.66Å; V586-V628 WeakPolarHBondContact O-CG2 3.42Å; L589-V628 HydrophobicContact CB-CG1 4.42Å; L589-V628 HydrophobicContact CB-CG2 4.2Å; L589-V628 HydrophobicContact CD2-CB 4Å; L589-V628 HydrophobicContact CD2-CG1 4.29Å; L589-V628 HydrophobicContact CD2-CG2 3.92Å; L589-V628 HydrophobicContact CG-CB 4.23Å; L589-V628 HydrophobicContact CG-CG1 3.97Å; L589-V628 HydrophobicContact CG-CG2 4.19Å; F590-V628 HydrophobicContact CB-CG1 3.75Å; F590-V628 HydrophobicContact CB-CG2 4.5Å; F590-V628 HydrophobicContact CD2-CG1 4.12Å; F590-V628 HydrophobicContact CG-CG1 4.45Å; L593-V628 HydrophobicContact CB-CG1 4.35Å; L593-V628 HydrophobicContact CD2-CG1 3.91Å; H624-V628 WeakPolarHBondContact O-CG2 3.47Å; H624-V628 PolarHBondContact O-N 3.44Å; F625-V628 PolarHBondContact O-N 3.42Å; P626-V628 PolarHBondContact O-N 2.87Å; V628-R631 VanDerWaalsContact O-CB 3.29Å; V628-R631 WeakPolarHBondContact O-CB 3.22Å; V628-R631 PolarHBondContact O-N 3.35Å; V628-L632 PolarHBondContact O-N 2.83Å |
| 629 | Y | 90.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 177 | -147.6 | -86.3 | 0 | 0 | 0 | 111.9 | L593 F625 P626 R631 L632 I633 L720 W724 F908 | L593-Y629 HydrophobicContact CD1-CD2 4.15Å; L593-Y629 HydrophobicContact CD1-CE2 4.09Å; L593-Y629 HydrophobicContact CD2-CD2 3.46Å; L593-Y629 VanDerWaalsContact CD2-CD2 3.46Å; L593-Y629 HydrophobicContact CD2-CE2 4.08Å; L593-Y629 HydrophobicContact CD2-CG 4.14Å; L593-Y629 HydrophobicContact CG-CD2 4.39Å; F625-Y629 HydrophobicContact CD1-CD2 4.45Å; F625-Y629 AromaticContact CE1-CD2 3.41Å; F625-Y629 HydrophobicContact CE1-CD2 3.41Å; F625-Y629 VanDerWaalsContact CE1-CD2 3.41Å; F625-Y629 HydrophobicContact CE1-CE2 4.08Å; F625-Y629 HydrophobicContact CE1-CG 4.07Å; F625-Y629 HydrophobicContact CE2-CD2 4.46Å; F625-Y629 AromaticContact CZ-CD2 3.38Å; F625-Y629 HydrophobicContact CZ-CD2 3.38Å; F625-Y629 AromaticContact CZ-CE2 3.84Å; F625-Y629 HydrophobicContact CZ-CE2 3.84Å; F625-Y629 HydrophobicContact CZ-CG 4.42Å; F625-Y629 WeakPolarHBondContact O-CB 3.32Å; F625-Y629 PolarHBondContact O-N 3.21Å; P626-Y629 PolarHBondContact O-N 2.6Å; Y629-R631 VanDerWaalsContact C-N 3.31Å; Y629-R631 PolarHBondContact O-N 2.82Å; Y629-L632 WeakPolarHBondContact O-CB 3.41Å; Y629-L632 PolarHBondContact O-N 3.4Å; Y629-L632 VanDerWaalsContact O-N 3.16Å; Y629-I633 HydrophobicContact CD1-CD1 4.17Å; Y629-I633 HydrophobicContact CD1-CG1 4.47Å; Y629-I633 WeakPolarHBondContact O-CG1 3.43Å; Y629-I633 PolarHBondContact O-N 3.41Å; Y629-L720 HydrophobicContact CD1-CD2 3.76Å; Y629-L720 HydrophobicContact CD1-CG 4.43Å; Y629-L720 HydrophobicContact CE1-CD1 4.35Å; Y629-L720 HydrophobicContact CE1-CD2 3.12Å; Y629-L720 HydrophobicContact CE1-CG 3.56Å; Y629-L720 PolarHBondContact OH-O 3.43Å; Y629-W724 HydrophobicContact CE1-CB 4.25Å; Y629-W724 WeakPolarHBondContact OH-CB 3.04Å; Y629-W724 PolarHBondContact OH-N 2.74Å; Y629-W724 VanDerWaalsContact OH-N 3.14Å; Y629-F908 AromaticContact CD1-CE1 3.94Å; Y629-F908 HydrophobicContact CD1-CE1 3.94Å; Y629-F908 AromaticContact CD1-CE2 3.32Å; Y629-F908 HydrophobicContact CD1-CE2 3.32Å; Y629-F908 AromaticContact CD1-CZ 2.99Å; Y629-F908 HydrophobicContact CD1-CZ 2.99Å; Y629-F908 AromaticContact CE1-CE1 3.76Å; Y629-F908 HydrophobicContact CE1-CE1 3.76Å; Y629-F908 HydrophobicContact CE1-CE2 4.02Å; Y629-F908 AromaticContact CE1-CZ 3.21Å; Y629-F908 HydrophobicContact CE1-CZ 3.21Å; Y629-F908 AromaticContact CG-CE2 3.9Å; Y629-F908 HydrophobicContact CG-CE2 3.9Å; Y629-F908 AromaticContact CG-CZ 3.93Å; Y629-F908 HydrophobicContact CG-CZ 3.93Å |
| 630 | F | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.4 | -32.4 | 171.8 | -76.4 | -61.4 | 0 | 0 | 0 | 113.1 | P626 L632 I633 K634 V752 L757 F760 L761 F908 | P626-F630 WeakPolarHBondContact O-CD2 3.31Å; P626-F630 PolarHBondContact O-N 3.06Å; F630-L632 VanDerWaalsContact C-N 3.27Å; F630-L632 PolarHBondContact O-N 3.2Å; F630-I633 HydrophobicContact CD1-CD1 3.59Å; F630-I633 HydrophobicContact CE1-CD1 3.87Å; F630-I633 HydrophobicContact CG-CD1 4.48Å; F630-I633 PolarHBondContact O-N 2.48Å; F630-K634 VanDerWaalsContact O-CB 3.25Å; F630-K634 WeakPolarHBondContact O-CB 3.49Å; F630-K634 PolarHBondContact O-N 2.96Å; F630-V752 HydrophobicContact CE2-CG1 4.2Å; F630-V752 HydrophobicContact CE2-CG2 3.74Å; F630-V752 HydrophobicContact CZ-CG2 4.41Å; F630-L757 HydrophobicContact CD1-CD1 4.15Å; F630-L757 HydrophobicContact CD2-CD1 4.47Å; F630-L757 HydrophobicContact CE1-CD1 3.47Å; F630-L757 VanDerWaalsContact CE1-CD1 3.47Å; F630-L757 HydrophobicContact CE2-CD1 3.85Å; F630-L757 HydrophobicContact CZ-CD1 3.31Å; F630-F760 HydrophobicContact CB-CB 3.54Å; F630-F760 HydrophobicContact CB-CG 4.34Å; F630-F760 HydrophobicContact CD2-CB 3.94Å; F630-F760 AromaticContact CD2-CD2 3.79Å; F630-F760 HydrophobicContact CD2-CD2 3.79Å; F630-F760 HydrophobicContact CD2-CG 4.17Å; F630-F760 HydrophobicContact CE2-CD2 4.37Å; F630-F760 HydrophobicContact CG-CB 3.85Å; F630-L761 HydrophobicContact CD1-CD2 3.74Å; F630-L761 HydrophobicContact CD1-CG 4.12Å; F630-L761 HydrophobicContact CE1-CD2 4.38Å; F630-F908 HydrophobicContact CE1-CD2 4.43Å; F630-F908 HydrophobicContact CE1-CE2 4.11Å; F630-F908 AromaticContact CE2-CD2 3.92Å; F630-F908 HydrophobicContact CE2-CD2 3.92Å; F630-F908 HydrophobicContact CE2-CE2 4.18Å; F630-F908 AromaticContact CZ-CD2 3.78Å; F630-F908 HydrophobicContact CZ-CD2 3.78Å; F630-F908 AromaticContact CZ-CE2 3.9Å; F630-F908 HydrophobicContact CZ-CE2 3.9Å |
| 631 | R | 87.5 | Confident | 84.4 | Confident | 35 Ų | 35 | 18.8 Ų | 18.8 | 13% | 0.132 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 170.5 | -170.9 | -179.9 | 174.9 | 174.7 | 6.1 | 111.1 | H549 D587 F590 S627 V628 Y629 R635 E672 | H549-R631 PolarHBondContact O-NH2 3.32Å; D587-R631 IonicContact OD1-CZ 2.57Å; D587-R631 IonicContact OD1-NH1 3.44Å; D587-R631 PolarHBondContact OD1-NH1 3.12Å; D587-R631 IonicContact OD1-NH2 3.88Å; F590-R631 HydrophobicContact CD2-CB 4.1Å; F590-R631 VanDerWaalsContact CD2-CD 3.46Å; F590-R631 HydrophobicContact CD2-CG 3.76Å; F590-R631 HydrophobicContact CE2-CB 4.15Å; F590-R631 HydrophobicContact CE2-CG 3.61Å; F590-R631 HydrophobicContact CZ-CG 4.33Å; S627-R631 WeakPolarHBondContact O-CB 3.43Å; S627-R631 PolarHBondContact O-N 3.25Å; V628-R631 VanDerWaalsContact O-CB 3.29Å; V628-R631 WeakPolarHBondContact O-CB 3.22Å; V628-R631 PolarHBondContact O-N 3.35Å; Y629-R631 VanDerWaalsContact C-N 3.31Å; Y629-R631 PolarHBondContact O-N 2.82Å; R631-R635 PolarHBondContact O-N 3.11Å; R631-R635 VanDerWaalsContact O-N 3.09Å; R631-E672 IonicContact CZ-OE1 2.73Å; R631-E672 IonicContact CZ-OE2 2.65Å; R631-E672 VanDerWaalsContact CZ-OE2 3.25Å; R631-E672 IonicContact NE-OE1 3.14Å; R631-E672 IonicContact NE-OE2 2.81Å; R631-E672 PolarHBondContact NE-OE2 3.1Å; R631-E672 IonicContact NH2-OE1 3.2Å; R631-E672 PolarHBondContact NH2-OE1 3.46Å; R631-E672 IonicContact NH2-OE2 3.46Å; R631-E672 PolarHBondContact NH2-OE2 3.05Å |
| 632 | L | 89 | Confident | 84.1 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69 | -41.7 | 172.8 | -174.7 | 65.2 | 0 | 0 | 0 | 112.8 | L593 A597 V628 Y629 F630 K634 R635 L636 Y679 L720 | L593-L632 HydrophobicContact CD2-CD2 4.21Å; L593-L632 HydrophobicContact CG-CD2 4.26Å; A597-L632 HydrophobicContact CB-CD2 3.7Å; V628-L632 PolarHBondContact O-N 2.83Å; Y629-L632 WeakPolarHBondContact O-CB 3.41Å; Y629-L632 PolarHBondContact O-N 3.4Å; Y629-L632 VanDerWaalsContact O-N 3.16Å; F630-L632 VanDerWaalsContact C-N 3.27Å; F630-L632 PolarHBondContact O-N 3.2Å; L632-K634 VanDerWaalsContact C-N 3.29Å; L632-K634 PolarHBondContact O-N 3.45Å; L632-R635 WeakPolarHBondContact O-CB 3.38Å; L632-R635 PolarHBondContact O-N 3.02Å; L632-L636 PolarHBondContact O-N 3.1Å; L632-Y679 HydrophobicContact CD1-CE2 4.43Å; L632-L720 HydrophobicContact CD2-CD1 3.76Å; L632-L720 HydrophobicContact CG-CD1 3.97Å |
| 633 | I | 91.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.4 | -47 | 173.9 | -71.6 | 166.9 | 0 | 0 | 0 | 110.4 | Y629 F630 R635 L636 L637 L717 L720 L761 F908 L912 A915 | Y629-I633 HydrophobicContact CD1-CD1 4.17Å; Y629-I633 HydrophobicContact CD1-CG1 4.47Å; Y629-I633 WeakPolarHBondContact O-CG1 3.43Å; Y629-I633 PolarHBondContact O-N 3.41Å; F630-I633 HydrophobicContact CD1-CD1 3.59Å; F630-I633 HydrophobicContact CE1-CD1 3.87Å; F630-I633 HydrophobicContact CG-CD1 4.48Å; F630-I633 PolarHBondContact O-N 2.48Å; I633-R635 PolarHBondContact O-N 3.46Å; I633-L636 WeakPolarHBondContact O-CB 3.47Å; I633-L636 PolarHBondContact O-N 3.48Å; I633-L636 VanDerWaalsContact O-N 3.11Å; I633-L637 HydrophobicContact CG2-CD1 4.05Å; I633-L637 HydrophobicContact CG2-CG 4.18Å; I633-L637 WeakPolarHBondContact O-CG 3.38Å; I633-L637 PolarHBondContact O-N 3.13Å; I633-L717 HydrophobicContact CG2-CD2 4.03Å; I633-L720 HydrophobicContact CD1-CD2 3.81Å; I633-L720 HydrophobicContact CG1-CD1 4.45Å; I633-L720 HydrophobicContact CG1-CD2 3.35Å; I633-L761 HydrophobicContact CB-CD2 4.43Å; I633-L761 HydrophobicContact CG2-CD2 3.71Å; I633-F908 HydrophobicContact CD1-CE2 4.05Å; I633-F908 HydrophobicContact CD1-CZ 3.88Å; I633-L912 HydrophobicContact CD1-CB 4.5Å; I633-L912 HydrophobicContact CD1-CD1 4.27Å; I633-A915 HydrophobicContact CG2-CB 3.53Å |
| 634 | K | 89.5 | Confident | 83.5 | Confident | 35 Ų | 35 | 16.2 Ų | 16.2 | 15% | 0.152 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 178.4 | 175.1 | -179.3 | 173.4 | -176.3 | 0 | 112.6 | F630 L632 L636 L637 N638 H667 N762 | F630-K634 VanDerWaalsContact O-CB 3.25Å; F630-K634 WeakPolarHBondContact O-CB 3.49Å; F630-K634 PolarHBondContact O-N 2.96Å; L632-K634 VanDerWaalsContact C-N 3.29Å; L632-K634 PolarHBondContact O-N 3.45Å; K634-L636 VanDerWaalsContact C-N 3.31Å; K634-L636 PolarHBondContact O-N 2.92Å; K634-L637 PolarHBondContact O-N 2.81Å; K634-N638 PolarHBondContact O-N 3.07Å; K634-N638 VanDerWaalsContact O-N 3.11Å; K634-H667 WeakPolarHBondContact CE-CE1 3.36Å; K634-H667 WeakPolarHBondContact CE-NE2 3.42Å; K634-H667 PolarHBondContact NZ-CE1 3.31Å; K634-H667 PolarHBondContact NZ-NE2 3.21Å; K634-N762 HydrophobicContact CD-CB 3.98Å; K634-N762 VanDerWaalsContact CE-CB 3.44Å |
| 635 | R | 86.4 | Confident | 83 | Confident | 25 Ų | 25 | 17.2 Ų | 17.2 | 9% | 0.094 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 170.9 | 168.8 | 56.2 | 169.4 | 94 | 1.9 | 111.6 | R631 L632 I633 E639 L671 E672 | R631-R635 PolarHBondContact O-N 3.11Å; R631-R635 VanDerWaalsContact O-N 3.09Å; L632-R635 WeakPolarHBondContact O-CB 3.38Å; L632-R635 PolarHBondContact O-N 3.02Å; I633-R635 PolarHBondContact O-N 3.46Å; R635-E639 IonicContact CZ-OE1 3.49Å; R635-E639 VanDerWaalsContact NH1-CB 3.35Å; R635-E639 VanDerWaalsContact NH1-CD 3.3Å; R635-E639 VanDerWaalsContact NH1-CG 3.29Å; R635-E639 IonicContact NH1-OE1 2.95Å; R635-E639 PolarHBondContact NH1-OE1 3.06Å; R635-E639 IonicContact NH2-OE1 3.08Å; R635-E639 PolarHBondContact O-N 3.06Å; R635-E639 VanDerWaalsContact O-N 3.13Å; R635-L671 VanDerWaalsContact CD-CB 3.49Å; R635-E672 WeakPolarHBondContact CD-O 3.18Å; R635-E672 WeakPolarHBondContact CG-O 3.45Å; R635-E672 PolarHBondContact NE-O 3.47Å |
| 636 | L | 88.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.5 | -43.5 | 179.2 | -178 | 159 | 0 | 0 | 0 | 112 | W601 L632 I633 K634 N638 E639 R713 A716 L717 L720 | W601-L636 HydrophobicContact CZ2-CD1 4.19Å; L632-L636 PolarHBondContact O-N 3.1Å; I633-L636 WeakPolarHBondContact O-CB 3.47Å; I633-L636 PolarHBondContact O-N 3.48Å; I633-L636 VanDerWaalsContact O-N 3.11Å; K634-L636 VanDerWaalsContact C-N 3.31Å; K634-L636 PolarHBondContact O-N 2.92Å; L636-N638 VanDerWaalsContact C-N 3.25Å; L636-N638 PolarHBondContact O-N 2.72Å; L636-E639 PolarHBondContact O-N 3.04Å; L636-R713 HydrophobicContact CD2-CB 4.43Å; L636-R713 HydrophobicContact CD2-CG 4.5Å; L636-A716 HydrophobicContact CD1-CB 3.53Å; L636-A716 HydrophobicContact CD2-CB 4.17Å; L636-A716 HydrophobicContact CG-CB 4.02Å; L636-L717 HydrophobicContact CD2-CD2 3.76Å; L636-L717 HydrophobicContact CD2-CG 3.78Å; L636-L720 HydrophobicContact CD1-CD1 4.43Å |
| 637 | L | 89.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -36.6 | 177.1 | -72.6 | -178.6 | 0 | 0 | 0 | 112.5 | I633 K634 R713 L717 L761 A915 L918 V919 V968 T969 | I633-L637 HydrophobicContact CG2-CD1 4.05Å; I633-L637 HydrophobicContact CG2-CG 4.18Å; I633-L637 WeakPolarHBondContact O-CG 3.38Å; I633-L637 PolarHBondContact O-N 3.13Å; K634-L637 PolarHBondContact O-N 2.81Å; L637-R713 PolarHBondContact O-NE 3.4Å; L637-L717 HydrophobicContact CD2-CD1 4.18Å; L637-L761 HydrophobicContact CD1-CD2 4.46Å; L637-A915 HydrophobicContact CD1-CB 3.98Å; L637-A915 HydrophobicContact CD2-CB 4.3Å; L637-A915 HydrophobicContact CG-CB 4.47Å; L637-L918 HydrophobicContact CD1-CD1 4.37Å; L637-V919 HydrophobicContact CD2-CG2 3.44Å; L637-V919 VanDerWaalsContact CD2-CG2 3.44Å; L637-V968 HydrophobicContact CB-CB 4.27Å; L637-V968 HydrophobicContact CD2-CB 4.4Å; L637-V968 HydrophobicContact CD2-CG1 4.12Å; L637-V968 WeakPolarHBondContact O-CG2 3.45Å; L637-V968 PolarHBondContact O-N 3.43Å; L637-T969 HydrophobicContact CB-CG2 4.09Å; L637-T969 HydrophobicContact CD1-CG2 3.95Å |
| 638 | N | 89.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.2 | -176.8 | -65.2 | -21.6 | 0 | 0 | 0 | 114.1 | K634 L636 H640 L671 T967 T969 | K634-N638 PolarHBondContact O-N 3.07Å; K634-N638 VanDerWaalsContact O-N 3.11Å; L636-N638 VanDerWaalsContact C-N 3.25Å; L636-N638 PolarHBondContact O-N 2.72Å; N638-H640 PolarHBondContact O-CE1 3.47Å; N638-H640 PolarHBondContact O-N 3.47Å; N638-H640 PolarHBondContact O-ND1 3.09Å; N638-L671 HydrophobicContact CB-CD2 3.63Å; N638-L671 VanDerWaalsContact O-CD1 3.3Å; N638-L671 WeakPolarHBondContact O-CD1 3.35Å; N638-T967 HydrophobicContact CB-CG2 4.12Å; N638-T967 WeakPolarHBondContact OD1-CG2 3.42Å; N638-T969 PolarHBondContact ND2-OG1 3.47Å; N638-T969 WeakPolarHBondContact OD1-CB 3.3Å; N638-T969 WeakPolarHBondContact OD1-CG2 3.42Å; N638-T969 PolarHBondContact OD1-N 3.39Å; N638-T969 PolarHBondContact OD1-OG1 2.95Å |
| 639 | E | 85.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | trans | -60.4 | 124.4 | -173.9 | 174.9 | 158.3 | -115.5 | 0 | 0 | 113.9 | R635 L636 Q678 Y679 I680 R709 R713 | R635-E639 IonicContact CZ-OE1 3.49Å; R635-E639 VanDerWaalsContact NH1-CB 3.35Å; R635-E639 VanDerWaalsContact NH1-CD 3.3Å; R635-E639 VanDerWaalsContact NH1-CG 3.29Å; R635-E639 IonicContact NH1-OE1 2.95Å; R635-E639 PolarHBondContact NH1-OE1 3.06Å; R635-E639 IonicContact NH2-OE1 3.08Å; R635-E639 PolarHBondContact O-N 3.06Å; R635-E639 VanDerWaalsContact O-N 3.13Å; L636-E639 PolarHBondContact O-N 3.04Å; E639-Q678 HydrophobicContact CG-CG 4.19Å; E639-Q678 WeakPolarHBondContact OE1-CA 3.25Å; E639-Y679 PolarHBondContact OE1-N 3.06Å; E639-Y679 PolarHBondContact OE2-N 3.07Å; E639-I680 HydrophobicContact CB-CD1 3.62Å; E639-I680 HydrophobicContact CB-CG1 4.46Å; E639-I680 HydrophobicContact CG-CD1 3.87Å; E639-I680 HydrophobicContact CG-CG1 4.48Å; E639-I680 VanDerWaalsContact OE2-CG1 3.25Å; E639-I680 WeakPolarHBondContact OE2-CG1 3.09Å; E639-I680 PolarHBondContact OE2-N 3.23Å; E639-R709 PolarHBondContact O-NH2 3.45Å; E639-R713 PolarHBondContact O-NH2 3.05Å | ||
| 640 | H | 78.6 | Confident | 81.3 | Confident | 20 Ų | 20 | 26.3 Ų | 26.3 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | trans | -82.3 | 150.6 | -180 | -60.4 | -37.8 | 0 | 0 | 0 | 111.8 | N638 V642 W647 Y668 | N638-H640 PolarHBondContact O-CE1 3.47Å; N638-H640 PolarHBondContact O-N 3.47Å; N638-H640 PolarHBondContact O-ND1 3.09Å; H640-V642 PolarHBondContact O-N 3.41Å; H640-W647 HydrophobicContact CB-CD2 4.19Å; H640-W647 HydrophobicContact CB-CE3 3.68Å; H640-W647 HydrophobicContact CB-CZ3 4.06Å; H640-W647 AromaticContact CD2-CZ3 3.84Å; H640-W647 AromaticContact CE1-CH2 3.77Å; H640-W647 AromaticContact CE1-CZ3 3.42Å; H640-W647 VanDerWaalsContact CE1-CZ3 3.42Å; H640-W647 WeakPolarHBondContact CE1-CZ3 3.35Å; H640-W647 AromaticContact CG-CE3 3.53Å; H640-W647 AromaticContact CG-CZ3 3.4Å; H640-W647 AromaticContact ND1-CE3 3.7Å; H640-W647 AromaticContact ND1-CH2 3.43Å; H640-W647 WeakPolarHBondContact ND1-CH2 3.08Å; H640-W647 AromaticContact ND1-CZ3 3.11Å; H640-W647 WeakPolarHBondContact ND1-CZ3 3.23Å; H640-W647 AromaticContact NE2-CZ3 3.84Å; H640-Y668 PolarHBondContact NE2-O 3.37Å | ||
| 641 | P | 74.9 | Confident | 80.7 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 5% | 0.045 | 14% | 0.142 | C | C | . | . | trans | -77.8 | 109.6 | -177.7 | 24.2 | -19.9 | 0 | 0 | 0 | 109.8 | N643 D644 W647 R709 | P641-N643 PolarHBondContact O-N 3.39Å; P641-D644 HydrophobicContact CB-CB 3.84Å; P641-D644 HydrophobicContact CG-CB 3.68Å; P641-D644 PolarHBondContact O-N 2.81Å; P641-W647 HydrophobicContact CG-CB 4.11Å; P641-W647 HydrophobicContact CG-CD2 4.12Å; P641-W647 HydrophobicContact CG-CG 3.55Å; P641-W647 WeakPolarHBondContact O-CB 3.2Å; P641-R709 VanDerWaalsContact CD-CZ 3.42Å; P641-R709 VanDerWaalsContact CG-CZ 3.45Å | ||
| 642 | V | 64.4 | Low | 80.2 | Confident | 25 Ų | 25 | 28.8 Ų | 28.8 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.4 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 112 | H478 H640 Q648 | H478-V642 WeakPolarHBondContact NE2-CG1 3.42Å; H640-V642 PolarHBondContact O-N 3.41Å; V642-Q648 VanDerWaalsContact O-CD 3.29Å; V642-Q648 WeakPolarHBondContact O-CG 3.22Å; V642-Q648 PolarHBondContact O-NE2 3.09Å |
| 643 | N | 63.2 | Low | 79.7 | Confident | 78 Ų | 78 | 32.3 Ų | 32.3 | 42% | 0.417 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -6.8 | -177.4 | -68.4 | -29.1 | 0 | 0 | 0 | 114.5 | P641 | P641-N643 PolarHBondContact O-N 3.39Š|
| 644 | D | 70.2 | Confident | 79 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | trans | -85 | 117 | 175.9 | -172.5 | -30.2 | 0 | 0 | 0 | 109.4 | P641 R646 W647 Q648 L704 | P641-D644 HydrophobicContact CB-CB 3.84Å; P641-D644 HydrophobicContact CG-CB 3.68Å; P641-D644 PolarHBondContact O-N 2.81Å; D644-R646 PolarHBondContact O-N 3.47Å; D644-R646 VanDerWaalsContact O-N 3.07Å; D644-R646 VanDerWaalsContact OD1-CB 3.3Å; D644-R646 WeakPolarHBondContact OD1-CB 3.33Å; D644-R646 WeakPolarHBondContact OD1-CG 3.45Å; D644-R646 PolarHBondContact OD1-N 3.07Å; D644-R646 IonicContact OD1-NE 3.35Å; D644-R646 PolarHBondContact OD1-NE 3.02Å; D644-R646 VanDerWaalsContact OD1-NE 3.14Å; D644-R646 IonicContact OD2-CZ 2.91Å; D644-R646 IonicContact OD2-NE 3.65Å; D644-R646 PolarHBondContact OD2-NE 3.44Å; D644-R646 IonicContact OD2-NH2 3.79Å; D644-R646 PolarHBondContact OD2-NH2 3.29Å; D644-W647 HydrophobicContact CB-CB 4.38Å; D644-W647 HydrophobicContact CB-CG 4.45Å; D644-W647 PolarHBondContact O-N 3.43Å; D644-Q648 WeakPolarHBondContact O-CG 3.43Å; D644-Q648 PolarHBondContact O-N 2.94Å; D644-L704 HydrophobicContact CB-CD2 4.44Å | ||
| 645 | A | 73.3 | Confident | 78.2 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 58% | 0.579 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -54.7 | -29.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W649 | A645-W649 WeakPolarHBondContact O-CB 3.43Å; A645-W649 PolarHBondContact O-N 3.42Å |
| 646 | R | 81.3 | Confident | 77.7 | Confident | 76 Ų | 76 | 37.3 Ų | 37.3 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 177.8 | -57.9 | 175.9 | -67.1 | 165 | 1.6 | 111.2 | D644 L650 V957 I958 D962 | D644-R646 PolarHBondContact O-N 3.47Å; D644-R646 VanDerWaalsContact O-N 3.07Å; D644-R646 VanDerWaalsContact OD1-CB 3.3Å; D644-R646 WeakPolarHBondContact OD1-CB 3.33Å; D644-R646 WeakPolarHBondContact OD1-CG 3.45Å; D644-R646 PolarHBondContact OD1-N 3.07Å; D644-R646 IonicContact OD1-NE 3.35Å; D644-R646 PolarHBondContact OD1-NE 3.02Å; D644-R646 VanDerWaalsContact OD1-NE 3.14Å; D644-R646 IonicContact OD2-CZ 2.91Å; D644-R646 IonicContact OD2-NE 3.65Å; D644-R646 PolarHBondContact OD2-NE 3.44Å; D644-R646 IonicContact OD2-NH2 3.79Å; D644-R646 PolarHBondContact OD2-NH2 3.29Å; R646-L650 PolarHBondContact O-N 3.14Å; R646-V957 HydrophobicContact CB-CG1 4.04Å; R646-V957 WeakPolarHBondContact CD-O 3.49Å; R646-V957 HydrophobicContact CG-CG1 4.36Å; R646-I958 HydrophobicContact CB-CG1 3.8Å; R646-D962 IonicContact CZ-OD2 3.24Å; R646-D962 IonicContact NH1-OD2 2.88Å; R646-D962 PolarHBondContact NH1-OD2 3.2Å; R646-D962 IonicContact NH2-OD2 2.71Å |
| 647 | W | 80.4 | Confident | 77.2 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.1 | -35.4 | 178.1 | -70.6 | 90.6 | 0 | 0 | 0 | 111.8 | H640 P641 D644 W649 L650 T651 F950 I958 V963 Q966 | H640-W647 HydrophobicContact CB-CD2 4.19Å; H640-W647 HydrophobicContact CB-CE3 3.68Å; H640-W647 HydrophobicContact CB-CZ3 4.06Å; H640-W647 AromaticContact CD2-CZ3 3.84Å; H640-W647 AromaticContact CE1-CH2 3.77Å; H640-W647 AromaticContact CE1-CZ3 3.42Å; H640-W647 VanDerWaalsContact CE1-CZ3 3.42Å; H640-W647 WeakPolarHBondContact CE1-CZ3 3.35Å; H640-W647 AromaticContact CG-CE3 3.53Å; H640-W647 AromaticContact CG-CZ3 3.4Å; H640-W647 AromaticContact ND1-CE3 3.7Å; H640-W647 AromaticContact ND1-CH2 3.43Å; H640-W647 WeakPolarHBondContact ND1-CH2 3.08Å; H640-W647 AromaticContact ND1-CZ3 3.11Å; H640-W647 WeakPolarHBondContact ND1-CZ3 3.23Å; H640-W647 AromaticContact NE2-CZ3 3.84Å; P641-W647 HydrophobicContact CG-CB 4.11Å; P641-W647 HydrophobicContact CG-CD2 4.12Å; P641-W647 HydrophobicContact CG-CG 3.55Å; P641-W647 WeakPolarHBondContact O-CB 3.2Å; D644-W647 HydrophobicContact CB-CB 4.38Å; D644-W647 HydrophobicContact CB-CG 4.45Å; D644-W647 PolarHBondContact O-N 3.43Å; W647-W649 VanDerWaalsContact C-N 3.31Å; W647-W649 PolarHBondContact O-N 3.23Å; W647-L650 HydrophobicContact CE3-CD2 3.88Å; W647-L650 HydrophobicContact CZ3-CD2 3.94Å; W647-L650 WeakPolarHBondContact O-CB 3.39Å; W647-L650 PolarHBondContact O-N 3.49Å; W647-L650 VanDerWaalsContact O-N 3.13Å; W647-T651 PolarHBondContact O-N 2.86Å; W647-T651 PolarHBondContact O-OG1 2.94Å; W647-T651 VanDerWaalsContact O-OG1 3.05Å; W647-F950 HydrophobicContact CH2-CE1 4.47Å; W647-F950 HydrophobicContact CZ3-CE1 4.19Å; W647-I958 HydrophobicContact CD2-CD1 3.72Å; W647-I958 HydrophobicContact CE3-CD1 3.83Å; W647-I958 HydrophobicContact CG-CD1 4.09Å; W647-I958 HydrophobicContact CZ2-CD1 4.44Å; W647-I958 HydrophobicContact CZ2-CG2 3.96Å; W647-I958 HydrophobicContact CZ3-CD1 4.22Å; W647-V963 HydrophobicContact CH2-CG2 4.32Å; W647-Q966 HydrophobicContact CZ2-CB 4.44Å |
| 648 | Q | 74.3 | Confident | 76.6 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 170.8 | -69.1 | -179.6 | -14.8 | 0 | 0 | 112.3 | V642 D644 L650 T651 T652 | V642-Q648 VanDerWaalsContact O-CD 3.29Å; V642-Q648 WeakPolarHBondContact O-CG 3.22Å; V642-Q648 PolarHBondContact O-NE2 3.09Å; D644-Q648 WeakPolarHBondContact O-CG 3.43Å; D644-Q648 PolarHBondContact O-N 2.94Å; Q648-L650 VanDerWaalsContact C-N 3.33Å; Q648-T651 PolarHBondContact O-N 2.84Å; Q648-T652 WeakPolarHBondContact O-CB 3.24Å; Q648-T652 PolarHBondContact O-N 3.33Å; Q648-T652 PolarHBondContact O-OG1 3.24Å |
| 649 | W | 81 | Confident | 75.9 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 174.3 | 176.2 | 90 | 0 | 0 | 0 | 110.7 | A645 W647 T652 Q653 Y954 V957 | A645-W649 WeakPolarHBondContact O-CB 3.43Å; A645-W649 PolarHBondContact O-N 3.42Å; W647-W649 VanDerWaalsContact C-N 3.31Å; W647-W649 PolarHBondContact O-N 3.23Å; W649-T652 WeakPolarHBondContact O-CB 3.42Å; W649-T652 PolarHBondContact O-N 3.38Å; W649-Q653 HydrophobicContact CD2-CG 3.97Å; W649-Q653 HydrophobicContact CE3-CG 4.26Å; W649-Q653 HydrophobicContact CH2-CG 4.01Å; W649-Q653 HydrophobicContact CZ2-CG 3.68Å; W649-Q653 HydrophobicContact CZ3-CG 4.27Å; W649-Q653 WeakPolarHBondContact O-CG 3.48Å; W649-Q653 PolarHBondContact O-N 3Å; W649-Y954 HydrophobicContact CH2-CD1 4.24Å; W649-Y954 HydrophobicContact CZ3-CD1 4.01Å; W649-V957 HydrophobicContact CD2-CG1 4.24Å; W649-V957 HydrophobicContact CD2-CG2 4.11Å; W649-V957 HydrophobicContact CE3-CB 3.88Å; W649-V957 HydrophobicContact CE3-CG1 3.83Å; W649-V957 HydrophobicContact CE3-CG2 3.73Å; W649-V957 HydrophobicContact CH2-CB 4.49Å; W649-V957 HydrophobicContact CH2-CG2 3.65Å; W649-V957 HydrophobicContact CZ2-CG2 4.03Å; W649-V957 HydrophobicContact CZ3-CB 3.85Å; W649-V957 HydrophobicContact CZ3-CG1 4.33Å; W649-V957 HydrophobicContact CZ3-CG2 3.5Å; W649-V957 VanDerWaalsContact CZ3-CG2 3.5Å |
| 650 | L | 79.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 176.8 | 178.7 | 68.2 | 0 | 0 | 0 | 111.7 | R646 W647 Q648 T652 Q653 L654 F950 Y954 I958 | R646-L650 PolarHBondContact O-N 3.14Å; W647-L650 HydrophobicContact CE3-CD2 3.88Å; W647-L650 HydrophobicContact CZ3-CD2 3.94Å; W647-L650 WeakPolarHBondContact O-CB 3.39Å; W647-L650 PolarHBondContact O-N 3.49Å; W647-L650 VanDerWaalsContact O-N 3.13Å; Q648-L650 VanDerWaalsContact C-N 3.33Å; L650-T652 PolarHBondContact O-N 3.29Å; L650-Q653 PolarHBondContact O-N 3.48Å; L650-Q653 VanDerWaalsContact O-N 3.13Å; L650-L654 HydrophobicContact CD1-CD1 4.14Å; L650-L654 HydrophobicContact CD1-CG 4.18Å; L650-L654 HydrophobicContact CD2-CD1 4.29Å; L650-L654 HydrophobicContact CG-CD1 3.8Å; L650-L654 HydrophobicContact CG-CG 4.28Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.46Å; L650-F950 HydrophobicContact CD2-CD1 4.36Å; L650-F950 HydrophobicContact CD2-CE1 3.84Å; L650-Y954 HydrophobicContact CD1-CD1 3.45Å; L650-Y954 VanDerWaalsContact CD1-CD1 3.45Å; L650-Y954 HydrophobicContact CD1-CD2 3.7Å; L650-Y954 HydrophobicContact CD1-CE1 3.86Å; L650-Y954 HydrophobicContact CD1-CE2 4.1Å; L650-Y954 HydrophobicContact CD1-CG 3.37Å; L650-I958 HydrophobicContact CB-CD1 4Å; L650-I958 HydrophobicContact CD2-CD1 3.84Å; L650-I958 HydrophobicContact CG-CD1 4.47Å |
| 651 | T | 76.6 | Confident | 75.2 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -37.7 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | W647 Q648 S655 | W647-T651 PolarHBondContact O-N 2.86Å; W647-T651 PolarHBondContact O-OG1 2.94Å; W647-T651 VanDerWaalsContact O-OG1 3.05Å; Q648-T651 PolarHBondContact O-N 2.84Å; T651-S655 WeakPolarHBondContact O-CB 3.26Å; T651-S655 PolarHBondContact O-N 2.78Å; T651-S655 PolarHBondContact O-OG 3.44Å |
| 652 | T | 76.5 | Confident | 75.1 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | Q648 W649 L650 S655 A656 | Q648-T652 WeakPolarHBondContact O-CB 3.24Å; Q648-T652 PolarHBondContact O-N 3.33Å; Q648-T652 PolarHBondContact O-OG1 3.24Å; W649-T652 WeakPolarHBondContact O-CB 3.42Å; W649-T652 PolarHBondContact O-N 3.38Å; L650-T652 PolarHBondContact O-N 3.29Å; T652-S655 PolarHBondContact O-N 3.04Å; T652-A656 PolarHBondContact O-N 2.97Å |
| 653 | Q | 78.5 | Confident | 75.3 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.3 | -67.3 | -57.8 | -40.7 | 0 | 0 | 112.3 | W649 L650 A656 T657 Y954 | W649-Q653 HydrophobicContact CD2-CG 3.97Å; W649-Q653 HydrophobicContact CE3-CG 4.26Å; W649-Q653 HydrophobicContact CH2-CG 4.01Å; W649-Q653 HydrophobicContact CZ2-CG 3.68Å; W649-Q653 HydrophobicContact CZ3-CG 4.27Å; W649-Q653 WeakPolarHBondContact O-CG 3.48Å; W649-Q653 PolarHBondContact O-N 3Å; L650-Q653 PolarHBondContact O-N 3.48Å; L650-Q653 VanDerWaalsContact O-N 3.13Å; Q653-A656 PolarHBondContact O-N 3.05Å; Q653-T657 PolarHBondContact O-N 3.39Å; Q653-T657 PolarHBondContact O-OG1 3.23Å; Q653-Y954 HydrophobicContact CB-CE1 4.3Å |
| 654 | L | 76.9 | Confident | 75.4 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 175.1 | -75.9 | 170.5 | 0 | 0 | 0 | 109.8 | L650 A656 T657 I658 I661 L669 Y954 | L650-L654 HydrophobicContact CD1-CD1 4.14Å; L650-L654 HydrophobicContact CD1-CG 4.18Å; L650-L654 HydrophobicContact CD2-CD1 4.29Å; L650-L654 HydrophobicContact CG-CD1 3.8Å; L650-L654 HydrophobicContact CG-CG 4.28Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.46Å; L654-A656 PolarHBondContact O-N 3Å; L654-T657 CarbonylContact O-C 3.53Å; L654-T657 PolarHBondContact O-N 3.5Å; L654-T657 PolarHBondContact O-OG1 3.04Å; L654-I658 WeakPolarHBondContact O-CA 3.3Å; L654-I658 VanDerWaalsContact O-CB 3.25Å; L654-I658 WeakPolarHBondContact O-CB 3.39Å; L654-I658 PolarHBondContact O-N 3.41Å; L654-I661 HydrophobicContact CD2-CD1 4.11Å; L654-L669 HydrophobicContact CD1-CB 3.93Å; L654-L669 HydrophobicContact CD1-CD2 4.5Å; L654-L669 WeakPolarHBondContact CD1-O 3.38Å; L654-L669 HydrophobicContact CD2-CB 4Å; L654-L669 HydrophobicContact CD2-CD1 4.03Å; L654-L669 HydrophobicContact CD2-CD2 4.38Å; L654-L669 HydrophobicContact CD2-CG 4.37Å; L654-Y954 HydrophobicContact CD2-CE2 4.25Å |
| 655 | S | 74.2 | Confident | 75.4 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.6 | -30 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | T651 T652 | T651-S655 WeakPolarHBondContact O-CB 3.26Å; T651-S655 PolarHBondContact O-N 2.78Å; T651-S655 PolarHBondContact O-OG 3.44Å; T652-S655 PolarHBondContact O-N 3.04Å |
| 656 | A | 74.8 | Confident | 75.3 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 70% | 0.702 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -80.2 | -21 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T652 Q653 L654 | T652-A656 PolarHBondContact O-N 2.97Å; Q653-A656 PolarHBondContact O-N 3.05Å; L654-A656 PolarHBondContact O-N 3Å |
| 657 | T | 77.4 | Confident | 74.9 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -117.6 | -8.8 | -172.6 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | Q653 L654 D659 S660 | Q653-T657 PolarHBondContact O-N 3.39Å; Q653-T657 PolarHBondContact O-OG1 3.23Å; L654-T657 CarbonylContact O-C 3.53Å; L654-T657 PolarHBondContact O-N 3.5Å; L654-T657 PolarHBondContact O-OG1 3.04Å; T657-D659 VanDerWaalsContact C-N 3.3Å; T657-D659 PolarHBondContact O-N 3.33Å; T657-S660 WeakPolarHBondContact O-CB 3.25Å; T657-S660 PolarHBondContact O-N 3.45Å; T657-S660 PolarHBondContact O-OG 2.98Å |
| 658 | I | 77 | Confident | 74.7 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58 | -39.6 | -165.6 | -154.5 | 148.7 | 0 | 0 | 0 | 113.5 | L654 S660 I661 L666 E670 | L654-I658 WeakPolarHBondContact O-CA 3.3Å; L654-I658 VanDerWaalsContact O-CB 3.25Å; L654-I658 WeakPolarHBondContact O-CB 3.39Å; L654-I658 PolarHBondContact O-N 3.41Å; I658-S660 PolarHBondContact O-N 3.12Å; I658-S660 VanDerWaalsContact O-N 3.16Å; I658-I661 PolarHBondContact O-N 2.7Å; I658-I661 VanDerWaalsContact O-N 3.16Å; I658-L666 HydrophobicContact CD1-CD2 3.92Å; I658-L666 HydrophobicContact CG1-CD2 3.47Å; I658-L666 VanDerWaalsContact CG1-CD2 3.47Å; I658-L666 HydrophobicContact CG1-CG 4.35Å; I658-E670 HydrophobicContact CD1-CB 3.98Å; I658-E670 HydrophobicContact CD1-CG 4.05Å; I658-E670 WeakPolarHBondContact CD1-OE1 3.27Å; I658-E670 WeakPolarHBondContact CD1-OE2 3.31Å |
| 659 | D | 75.4 | Confident | 74.8 | Confident | 148 Ų | 148 | 55.9 Ų | 55.9 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -69.4 | -13.6 | -178.7 | -61.9 | -31.4 | 0 | 0 | 0 | 112.9 | T657 | T657-D659 VanDerWaalsContact C-N 3.3Å; T657-D659 PolarHBondContact O-N 3.33Å |
| 660 | S | 75.6 | Confident | 74.6 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -95.9 | -15.7 | 176.2 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | T657 I658 | T657-S660 WeakPolarHBondContact O-CB 3.25Å; T657-S660 PolarHBondContact O-N 3.45Å; T657-S660 PolarHBondContact O-OG 2.98Å; I658-S660 PolarHBondContact O-N 3.12Å; I658-S660 VanDerWaalsContact O-N 3.16Å |
| 661 | I | 74.4 | Confident | 74.4 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -86.3 | 129.3 | -176.4 | -58.1 | 171.2 | 0 | 0 | 0 | 108.3 | L654 I658 M663 D665 L666 | L654-I661 HydrophobicContact CD2-CD1 4.11Å; I658-I661 PolarHBondContact O-N 2.7Å; I658-I661 VanDerWaalsContact O-N 3.16Å; I661-M663 PolarHBondContact O-N 3.44Å; I661-D665 HydrophobicContact CG2-CB 3.92Å; I661-L666 HydrophobicContact CB-CD1 3.69Å; I661-L666 HydrophobicContact CG2-CD1 3.62Å; I661-L666 HydrophobicContact CG2-CG 4.39Å; I661-L666 WeakPolarHBondContact O-CD1 3.43Å |
| 662 | P | 71.2 | Confident | 74.7 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | trans | -58 | 136 | 174.4 | -24.3 | 34.4 | 0 | 0 | 0 | 112.1 | H664 D665 L666 | P662-H664 WeakPolarHBondContact CB-CE1 3.23Å; P662-H664 WeakPolarHBondContact CB-ND1 3.36Å; P662-H664 PolarHBondContact O-N 3.49Å; P662-D665 PolarHBondContact O-N 3.43Å; P662-L666 WeakPolarHBondContact O-CD1 3.46Å; P662-L666 PolarHBondContact O-N 3.47Å | ||
| 663 | M | 69 | Low | 74.9 | Confident | 44 Ų | 44 | 51 Ų | 51 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -31.7 | -175.8 | -76.3 | -56.2 | -58.9 | 0 | 0 | 115.7 | H549 N553 R555 I661 D665 L666 | H549-M663 HydrophobicContact CB-CE 3.63Å; H549-M663 WeakPolarHBondContact CD2-CE 3.24Å; N553-M663 HydrophobicContact CB-CB 4.41Å; N553-M663 WeakPolarHBondContact O-CG 3.38Å; R555-M663 HydrophobicContact CB-CE 4.11Å; R555-M663 HydrophobicContact CB-SD 3.81Å; I661-M663 PolarHBondContact O-N 3.44Å; M663-D665 PolarHBondContact O-N 2.95Å; M663-L666 PolarHBondContact O-N 2.9Å; M663-L666 HydrophobicContact SD-CD1 4.17Å; M663-L666 HydrophobicContact SD-CD2 4.25Å |
| 664 | H | 66.7 | Low | 74.6 | Confident | 124 Ų | 124 | 47.5 Ų | 47.5 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.4 | 178.4 | 62.8 | -85.5 | 0 | 0 | 0 | 113.2 | P662 | P662-H664 WeakPolarHBondContact CB-CE1 3.23Å; P662-H664 WeakPolarHBondContact CB-ND1 3.36Å; P662-H664 PolarHBondContact O-N 3.49Å |
| 665 | D | 68.6 | Low | 74 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.8 | 178.9 | -61.6 | -31 | 0 | 0 | 0 | 112.3 | I661 P662 M663 H667 | I661-D665 HydrophobicContact CG2-CB 3.92Å; P662-D665 PolarHBondContact O-N 3.43Å; M663-D665 PolarHBondContact O-N 2.95Å; D665-H667 PolarHBondContact O-N 2.97Å |
| 666 | L | 71.9 | Confident | 73.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -70.2 | -18.5 | 178.3 | -92.9 | 92.8 | 0 | 0 | 0 | 113.5 | I658 I661 P662 M663 Y668 L669 E670 | I658-L666 HydrophobicContact CD1-CD2 3.92Å; I658-L666 HydrophobicContact CG1-CD2 3.47Å; I658-L666 VanDerWaalsContact CG1-CD2 3.47Å; I658-L666 HydrophobicContact CG1-CG 4.35Å; I661-L666 HydrophobicContact CB-CD1 3.69Å; I661-L666 HydrophobicContact CG2-CD1 3.62Å; I661-L666 HydrophobicContact CG2-CG 4.39Å; I661-L666 WeakPolarHBondContact O-CD1 3.43Å; P662-L666 WeakPolarHBondContact O-CD1 3.46Å; P662-L666 PolarHBondContact O-N 3.47Å; M663-L666 PolarHBondContact O-N 2.9Å; M663-L666 HydrophobicContact SD-CD1 4.17Å; M663-L666 HydrophobicContact SD-CD2 4.25Å; L666-Y668 VanDerWaalsContact C-N 3.25Å; L666-Y668 PolarHBondContact O-N 3.12Å; L666-L669 PolarHBondContact O-N 3.13Å; L666-E670 HydrophobicContact CD2-CB 4.04Å; L666-E670 WeakPolarHBondContact CD2-OE2 3.34Å; L666-E670 PolarHBondContact O-N 3.31Å |
| 667 | H | 72.1 | Confident | 73.2 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -58.4 | -30.1 | -160.2 | -176 | -92.2 | 0 | 0 | 0 | 115.5 | K634 D665 N762 | K634-H667 WeakPolarHBondContact CE-CE1 3.36Å; K634-H667 WeakPolarHBondContact CE-NE2 3.42Å; K634-H667 PolarHBondContact NZ-CE1 3.31Å; K634-H667 PolarHBondContact NZ-NE2 3.21Å; D665-H667 PolarHBondContact O-N 2.97Å; H667-N762 PolarHBondContact CE1-ND2 3.02Å |
| 668 | Y | 77.6 | Confident | 72.9 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 17% | 0.169 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -101.1 | -16 | 173.6 | -59.4 | -76.9 | 0 | 0 | 0 | 113.3 | H640 L666 N762 A948 T967 L970 | H640-Y668 PolarHBondContact NE2-O 3.37Å; L666-Y668 VanDerWaalsContact C-N 3.25Å; L666-Y668 PolarHBondContact O-N 3.12Å; Y668-N762 PolarHBondContact OH-ND2 3.24Å; Y668-A948 HydrophobicContact CD2-CB 3.82Å; Y668-A948 HydrophobicContact CE2-CB 4.28Å; Y668-A948 HydrophobicContact CG-CB 4.19Å; Y668-T967 HydrophobicContact CD1-CG2 3.65Å; Y668-T967 HydrophobicContact CE1-CG2 4.33Å; Y668-T967 HydrophobicContact CG-CG2 4.49Å; Y668-L970 HydrophobicContact CD1-CD2 4.07Å; Y668-L970 HydrophobicContact CD1-CG 4.23Å; Y668-L970 HydrophobicContact CD2-CD2 4.47Å; Y668-L970 HydrophobicContact CE1-CD2 3.54Å; Y668-L970 HydrophobicContact CE1-CG 3.98Å; Y668-L970 HydrophobicContact CE2-CD2 4.01Å; Y668-L970 HydrophobicContact CG-CD2 4.49Å; Y668-L970 VanDerWaalsContact CZ-CD2 3.48Å |
| 669 | L | 75 | Confident | 72.9 | Confident | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -47.1 | -175.8 | -64.7 | 174.3 | 0 | 0 | 0 | 112 | L654 L666 F950 | L654-L669 HydrophobicContact CD1-CB 3.93Å; L654-L669 HydrophobicContact CD1-CD2 4.5Å; L654-L669 WeakPolarHBondContact CD1-O 3.38Å; L654-L669 HydrophobicContact CD2-CB 4Å; L654-L669 HydrophobicContact CD2-CD1 4.03Å; L654-L669 HydrophobicContact CD2-CD2 4.38Å; L654-L669 HydrophobicContact CD2-CG 4.37Å; L666-L669 PolarHBondContact O-N 3.13Å; L669-F950 HydrophobicContact CD2-CD1 3.87Å; L669-F950 HydrophobicContact CD2-CD2 4.24Å; L669-F950 HydrophobicContact CD2-CE1 3.86Å; L669-F950 HydrophobicContact CD2-CE2 4.22Å; L669-F950 HydrophobicContact CD2-CG 4.07Å; L669-F950 HydrophobicContact CD2-CZ 4.03Å |
| 670 | E | 77 | Confident | 72.8 | Confident | 21 Ų | 21 | 34 Ų | 34 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -114.5 | 126.4 | 174 | -172.6 | 177.9 | -140.2 | 0 | 0 | 110.1 | I547 H549 R555 I658 L666 | I547-E670 HydrophobicContact CD1-CG 4.4Å; I547-E670 VanDerWaalsContact CD1-OE1 3.27Å; I547-E670 WeakPolarHBondContact CD1-OE1 3.23Å; H549-E670 IonicContact NE2-OE2 2.81Å; H549-E670 PolarHBondContact NE2-OE2 2.84Å; R555-E670 WeakPolarHBondContact CD-OE2 3.25Å; R555-E670 IonicContact CZ-OE1 3.68Å; R555-E670 IonicContact CZ-OE2 2.78Å; R555-E670 IonicContact NE-OE1 2.74Å; R555-E670 PolarHBondContact NE-OE1 3.08Å; R555-E670 IonicContact NE-OE2 3.79Å; R555-E670 PolarHBondContact NE-OE2 2.94Å; R555-E670 IonicContact NH2-OE1 3.56Å; R555-E670 PolarHBondContact NH2-OE1 2.83Å; R555-E670 IonicContact NH2-OE2 2.79Å; I658-E670 HydrophobicContact CD1-CB 3.98Å; I658-E670 HydrophobicContact CD1-CG 4.05Å; I658-E670 WeakPolarHBondContact CD1-OE1 3.27Å; I658-E670 WeakPolarHBondContact CD1-OE2 3.31Å; L666-E670 HydrophobicContact CD2-CB 4.04Å; L666-E670 WeakPolarHBondContact CD2-OE2 3.34Å; L666-E670 PolarHBondContact O-N 3.31Å |
| 671 | L | 77.1 | Confident | 72.2 | Confident | 26 Ų | 26 | 32 Ų | 32 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | trans | -98.3 | 131.1 | -178.5 | -61.8 | 169.3 | 0 | 0 | 0 | 110 | R635 N638 | R635-L671 VanDerWaalsContact CD-CB 3.49Å; N638-L671 HydrophobicContact CB-CD2 3.63Å; N638-L671 VanDerWaalsContact O-CD1 3.3Å; N638-L671 WeakPolarHBondContact O-CD1 3.35Å | ||
| 672 | E | 81.6 | Confident | 71.1 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | trans | -67.2 | 162.2 | 176 | -59.6 | 174.2 | 155.9 | 0 | 0 | 112.5 | I547 H549 F590 R631 R635 | I547-E672 CarbonylContact O-C 3.54Å; I547-E672 WeakPolarHBondContact O-CA 3.23Å; H549-E672 HydrophobicContact CB-CG 4.34Å; H549-E672 WeakPolarHBondContact CB-OE1 3.39Å; H549-E672 IonicContact CG-OE1 2.81Å; H549-E672 VanDerWaalsContact CG-OE1 3.29Å; H549-E672 PolarHBondContact N-OE1 3.15Å; H549-E672 VanDerWaalsContact ND1-CG 3.28Å; H549-E672 WeakPolarHBondContact ND1-CG 3.28Å; H549-E672 IonicContact ND1-OE1 3.61Å; H549-E672 PolarHBondContact ND1-OE1 3.36Å; F590-E672 HydrophobicContact CE1-CB 3.84Å; F590-E672 HydrophobicContact CZ-CB 3.77Å; R631-E672 IonicContact CZ-OE1 2.73Å; R631-E672 IonicContact CZ-OE2 2.65Å; R631-E672 VanDerWaalsContact CZ-OE2 3.25Å; R631-E672 IonicContact NE-OE1 3.14Å; R631-E672 IonicContact NE-OE2 2.81Å; R631-E672 PolarHBondContact NE-OE2 3.1Å; R631-E672 IonicContact NH2-OE1 3.2Å; R631-E672 PolarHBondContact NH2-OE1 3.46Å; R631-E672 IonicContact NH2-OE2 3.46Å; R631-E672 PolarHBondContact NH2-OE2 3.05Å; R635-E672 WeakPolarHBondContact CD-O 3.18Å; R635-E672 WeakPolarHBondContact CG-O 3.45Å; R635-E672 PolarHBondContact NE-O 3.47Å | ||
| 673 | G | 80.1 | Confident | 70 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.3 | -169.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I546 I547 L675 | I546-G673 WeakPolarHBondContact CA-O 3.21Å; I547-G673 PolarHBondContact N-O 3.38Å; I547-G673 PolarHBondContact O-N 3.21Å; G673-L675 PolarHBondContact O-N 2.94Å |
| 674 | P | 73.7 | Confident | 68.7 | Low | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 125.5 | -177.6 | -12.8 | 26.1 | 0 | 0 | 0 | 110.2 | I546 T676 F677 Y679 | I546-P674 HydrophobicContact CG1-CB 4.35Å; I546-P674 HydrophobicContact CG1-CG 4.16Å; P674-T676 VanDerWaalsContact C-N 3.3Å; P674-T676 PolarHBondContact O-N 2.91Å; P674-F677 HydrophobicContact CB-CB 3.9Å; P674-F677 HydrophobicContact CG-CB 4.44Å; P674-Y679 WeakPolarHBondContact CD-OH 3.36Å |
| 675 | L | 64.4 | Low | 67.3 | Low | 52 Ų | 52 | 35.6 Ų | 35.6 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -34.3 | -174.9 | 179.4 | 67.7 | 0 | 0 | 0 | 112.1 | S545 I547 G673 | S545-L675 PolarHBondContact O-N 3.36Å; I547-L675 HydrophobicContact CD1-CB 4.14Å; I547-L675 HydrophobicContact CD1-CD1 3.56Å; I547-L675 HydrophobicContact CD1-CG 4.27Å; G673-L675 PolarHBondContact O-N 2.94Å |
| 676 | T | 61.5 | Low | 65.6 | Low | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 27.7 | -173.2 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | D476 P674 | D476-T676 VanDerWaalsContact CB-O 3.22Å; D476-T676 WeakPolarHBondContact CB-O 3.4Å; P674-T676 VanDerWaalsContact C-N 3.3Å; P674-T676 PolarHBondContact O-N 2.91Å |
| 677 | F | 69.6 | Low | 63.7 | Low | 5 Ų | 5 | 43.7 Ų | 43.7 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | trans | -134.1 | 127.6 | 176.9 | -173.9 | -104.3 | 0 | 0 | 0 | 110.7 | M26 D476 R598 W601 M602 P674 Y679 I681 | M26-F677 HydrophobicContact CE-CD2 3.64Å; M26-F677 HydrophobicContact CE-CE2 4.16Å; M26-F677 HydrophobicContact CG-CE2 4.28Å; M26-F677 HydrophobicContact SD-CD2 3.33Å; M26-F677 WeakPolarHBondContact SD-CD2 3.11Å; M26-F677 HydrophobicContact SD-CE2 3.31Å; M26-F677 WeakPolarHBondContact SD-CE2 3.38Å; D476-F677 WeakPolarHBondContact OD2-CA 3.34Å; R598-F677 HydrophobicContact CB-CD1 4.29Å; R598-F677 HydrophobicContact CB-CE1 4.33Å; R598-F677 HydrophobicContact CG-CB 4.25Å; R598-F677 HydrophobicContact CG-CD1 3.79Å; R598-F677 HydrophobicContact CG-CD2 3.64Å; R598-F677 HydrophobicContact CG-CE1 3.99Å; R598-F677 HydrophobicContact CG-CE2 3.85Å; R598-F677 HydrophobicContact CG-CG 3.6Å; R598-F677 HydrophobicContact CG-CZ 4.02Å; W601-F677 HydrophobicContact CB-CE1 4.11Å; W601-F677 HydrophobicContact CB-CZ 3.59Å; W601-F677 HydrophobicContact CG-CE1 4.35Å; W601-F677 HydrophobicContact CG-CZ 4.2Å; M602-F677 HydrophobicContact CG-CE2 4.41Å; P674-F677 HydrophobicContact CB-CB 3.9Å; P674-F677 HydrophobicContact CG-CB 4.44Å; F677-Y679 AromaticContact CD1-CD1 3.96Å; F677-Y679 HydrophobicContact CD1-CD1 3.96Å; F677-Y679 HydrophobicContact CD1-CD2 4.06Å; F677-Y679 AromaticContact CD1-CE1 3.81Å; F677-Y679 HydrophobicContact CD1-CE1 3.81Å; F677-Y679 AromaticContact CD1-CE2 3.95Å; F677-Y679 HydrophobicContact CD1-CE2 3.95Å; F677-Y679 HydrophobicContact CD1-CG 4.06Å; F677-Y679 AromaticContact CD1-CZ 3.8Å; F677-Y679 AromaticContact CE1-CD1 3.45Å; F677-Y679 HydrophobicContact CE1-CD1 3.45Å; F677-Y679 VanDerWaalsContact CE1-CD1 3.45Å; F677-Y679 HydrophobicContact CE1-CD2 4.32Å; F677-Y679 AromaticContact CE1-CE1 3.54Å; F677-Y679 HydrophobicContact CE1-CE1 3.54Å; F677-Y679 HydrophobicContact CE1-CE2 4.43Å; F677-Y679 AromaticContact CE1-CG 3.85Å; F677-Y679 HydrophobicContact CE1-CG 3.85Å; F677-I681 HydrophobicContact CZ-CD1 4.49Å | ||
| 678 | Q | 72.2 | Confident | 61.8 | Low | 23 Ų | 23 | 49.3 Ų | 49.3 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | trans | -101.6 | 121.2 | 172.3 | -164.5 | 178.4 | -24.3 | 0 | 0 | 110.6 | D476 E639 I680 I681 | D476-Q678 PolarHBondContact OD2-N 2.8Å; E639-Q678 HydrophobicContact CG-CG 4.19Å; E639-Q678 WeakPolarHBondContact OE1-CA 3.25Å; Q678-I680 HydrophobicContact CG-CB 4.45Å; Q678-I680 PolarHBondContact NE2-O 3.23Å; Q678-I681 VanDerWaalsContact O-CG1 3.25Å; Q678-I681 WeakPolarHBondContact O-CG1 3.47Å | ||
| 679 | Y | 75.3 | Confident | 59.7 | Low | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -75.4 | -30.2 | 176.4 | -66.8 | -85.8 | 0 | 0 | 0 | 111.8 | S594 A597 W601 L632 E639 P674 F677 I681 | S594-Y679 PolarHBondContact O-OH 3.08Å; A597-Y679 HydrophobicContact CB-CE1 3.81Å; W601-Y679 VanDerWaalsContact CD1-O 3.29Å; W601-Y679 AromaticContact CD2-CD1 3.96Å; W601-Y679 HydrophobicContact CD2-CD1 3.96Å; W601-Y679 AromaticContact CE2-CD1 3.89Å; W601-Y679 HydrophobicContact CE3-CD1 4.4Å; W601-Y679 HydrophobicContact CG-CD1 4.24Å; W601-Y679 HydrophobicContact CZ2-CD1 4.22Å; W601-Y679 PolarHBondContact NE1-O 2.91Å; L632-Y679 HydrophobicContact CD1-CE2 4.43Å; E639-Y679 PolarHBondContact OE1-N 3.06Å; E639-Y679 PolarHBondContact OE2-N 3.07Å; P674-Y679 WeakPolarHBondContact CD-OH 3.36Å; F677-Y679 AromaticContact CD1-CD1 3.96Å; F677-Y679 HydrophobicContact CD1-CD1 3.96Å; F677-Y679 HydrophobicContact CD1-CD2 4.06Å; F677-Y679 AromaticContact CD1-CE1 3.81Å; F677-Y679 HydrophobicContact CD1-CE1 3.81Å; F677-Y679 AromaticContact CD1-CE2 3.95Å; F677-Y679 HydrophobicContact CD1-CE2 3.95Å; F677-Y679 HydrophobicContact CD1-CG 4.06Å; F677-Y679 AromaticContact CD1-CZ 3.8Å; F677-Y679 AromaticContact CE1-CD1 3.45Å; F677-Y679 HydrophobicContact CE1-CD1 3.45Å; F677-Y679 VanDerWaalsContact CE1-CD1 3.45Å; F677-Y679 HydrophobicContact CE1-CD2 4.32Å; F677-Y679 AromaticContact CE1-CE1 3.54Å; F677-Y679 HydrophobicContact CE1-CE1 3.54Å; F677-Y679 HydrophobicContact CE1-CE2 4.43Å; F677-Y679 AromaticContact CE1-CG 3.85Å; F677-Y679 HydrophobicContact CE1-CG 3.85Å; Y679-I681 PolarHBondContact O-N 3.13Å; Y679-I681 VanDerWaalsContact O-N 3.15Å |
| 680 | I | 74.4 | Confident | 57.8 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | trans | -81.9 | 87.1 | 175.4 | -57.6 | 162.8 | 0 | 0 | 0 | 109.8 | E639 Q678 L703 A712 R713 | E639-I680 HydrophobicContact CB-CD1 3.62Å; E639-I680 HydrophobicContact CB-CG1 4.46Å; E639-I680 HydrophobicContact CG-CD1 3.87Å; E639-I680 HydrophobicContact CG-CG1 4.48Å; E639-I680 VanDerWaalsContact OE2-CG1 3.25Å; E639-I680 WeakPolarHBondContact OE2-CG1 3.09Å; E639-I680 PolarHBondContact OE2-N 3.23Å; Q678-I680 HydrophobicContact CG-CB 4.45Å; Q678-I680 PolarHBondContact NE2-O 3.23Å; I680-L703 HydrophobicContact CG2-CD1 4.1Å; I680-A712 HydrophobicContact CG2-CB 3.4Å; I680-R713 HydrophobicContact CD1-CG 3.26Å; I680-R713 HydrophobicContact CG1-CG 3.7Å | ||
| 681 | I | 62.9 | Low | 55.7 | Low | 54 Ų | 54 | 61.7 Ų | 61.7 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | trans | -104.1 | 143 | 176.2 | -55.8 | 176.3 | 0 | 0 | 0 | 108.7 | F677 Q678 Y679 A683 | F677-I681 HydrophobicContact CZ-CD1 4.49Å; Q678-I681 VanDerWaalsContact O-CG1 3.25Å; Q678-I681 WeakPolarHBondContact O-CG1 3.47Å; Y679-I681 PolarHBondContact O-N 3.13Å; Y679-I681 VanDerWaalsContact O-N 3.15Å; I681-A683 PolarHBondContact O-N 2.91Å | ||
| 682 | P | 50.7 | Low | 53.6 | Low | 62 Ų | 62 | 67 Ų | 67 | 40% | 0.403 | 39% | 0.389 | S | S | . | . | trans | -57.2 | 116.3 | 171.9 | 19.7 | -30 | 0 | 0 | 0 | 110.5 | N684 L703 | P682-N684 PolarHBondContact O-N 2.9Å; P682-N684 VanDerWaalsContact O-N 3.08Å; P682-L703 HydrophobicContact CB-CD1 4.17Å; P682-L703 HydrophobicContact CB-CD2 3.96Å; P682-L703 HydrophobicContact CB-CG 3.95Å; P682-L703 HydrophobicContact CG-CD1 4.46Å; P682-L703 HydrophobicContact CG-CG 4.26Å | ||
| 683 | A | 47.7 | Very low | 51.2 | Low | 56 Ų | 56 | 72.8 Ų | 72.8 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | trans | -64.6 | 108.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | I681 I685 | I681-A683 PolarHBondContact O-N 2.91Å; A683-I685 PolarHBondContact O-N 2.84Å | ||
| 684 | N | 43.2 | Very low | 48.9 | Very low | 89 Ų | 89 | 83.1 Ų | 83.1 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | trans | -59.8 | 110.9 | 159 | -96.3 | -12.2 | 0 | 0 | 0 | 105.2 | P682 T686 | P682-N684 PolarHBondContact O-N 2.9Å; P682-N684 VanDerWaalsContact O-N 3.08Å; N684-T686 PolarHBondContact O-N 2.7Å | ||
| 685 | I | 35.8 | Very low | 46.8 | Very low | 138 Ų | 138 | 91 Ų | 91 | 71% | 0.708 | 50% | 0.504 | S | S | * | . | trans | -62.8 | 80.7 | 174.5 | -57.1 | 168.2 | 0 | 0 | 0 | 106.8 | A683 N687 | A683-I685 PolarHBondContact O-N 2.84Å; I685-N687 HydrophobicContact CG2-CB 4.32Å; I685-N687 PolarHBondContact O-N 2.81Å | ||
| 686 | T | 33.6 | Very low | 45.2 | Very low | 95 Ų | 95 | 97 Ų | 97 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | trans | -89.3 | 75.7 | 159.2 | 54 | 0 | 0 | 0 | 0 | 105.1 | N684 H688 | N684-T686 PolarHBondContact O-N 2.7Å; T686-H688 PolarHBondContact O-N 3.41Å | ||
| 687 | N | 32.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 105.5 Ų | 105.5 | 77% | 0.765 | 56% | 0.555 | S | S | * | * | trans | -58.2 | 108.7 | 166.3 | -83 | -14.7 | 0 | 0 | 0 | 107.1 | I685 | I685-N687 HydrophobicContact CG2-CB 4.32Å; I685-N687 PolarHBondContact O-N 2.81Å | ||
| 688 | H | 32.4 | Very low | 42.1 | Very low | 170 Ų | 170 | 108.1 Ų | 108.1 | 79% | 0.787 | 58% | 0.584 | S | S | * | * | trans | -55.5 | 148.3 | 158.6 | -73.8 | -82 | 0 | 0 | 0 | 108.5 | T686 | T686-H688 PolarHBondContact O-N 3.41Š| ||
| 689 | S | 33.1 | Very low | 40.4 | Very low | 119 Ų | 119 | 109.9 Ų | 109.9 | 83% | 0.832 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 76 | 72.5 | 175.8 | 82.1 | 0 | 0 | 0 | 0 | 117.8 | ||
| 690 | S | 34.6 | Very low | 38.7 | Very low | 103 Ų | 103 | 114 Ų | 114 | 72% | 0.72 | 63% | 0.634 | S | S | * | * | 179.2 | 117.7 | 121.7 | 53.2 | 0 | 0 | 0 | 0 | 107.6 | D692 | S690-D692 VanDerWaalsContact C-N 3.29Å; S690-D692 PolarHBondContact O-N 2.99Å | |||
| 691 | S | 34.2 | Very low | 37.3 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -58 | 98.9 | 163.1 | 52.4 | 0 | 0 | 0 | 0 | 107.6 | ||
| 692 | D | 32.8 | Very low | 36.8 | Very low | 137 Ų | 137 | 119 Ų | 119 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 160.8 | 132.1 | 146.6 | -77.1 | -21.8 | 0 | 0 | 0 | 108.8 | S690 | S690-D692 VanDerWaalsContact C-N 3.29Å; S690-D692 PolarHBondContact O-N 2.99Å |
| 693 | N | 30.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 117.5 Ų | 117.5 | 82% | 0.824 | 65% | 0.653 | S | S | * | * | trans | 84.5 | 86.7 | -179.8 | -57.5 | -25.3 | 0 | 0 | 0 | 116.8 | D695 | N693-D695 PolarHBondContact O-N 3.31Å; N693-D695 VanDerWaalsContact O-N 3.11Å | ||
| 694 | Y | 31.2 | Very low | 37.4 | Very low | 218 Ų | 218 | 119.1 Ų | 119.1 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | trans | -58.4 | 92.5 | 164.8 | -78.8 | -102 | 0 | 0 | 0 | 112.7 | ||||
| 695 | D | 29.8 | Very low | 38.8 | Very low | 169 Ų | 169 | 120.5 Ų | 120.5 | 90% | 0.904 | 66% | 0.66 | S | S | * | * | trans | -100.3 | 73.8 | 155.8 | -81.1 | -27.1 | 0 | 0 | 0 | 109.3 | N693 | N693-D695 PolarHBondContact O-N 3.31Å; N693-D695 VanDerWaalsContact O-N 3.11Å | ||
| 696 | R | 31.9 | Very low | 40.9 | Very low | 176 Ų | 176 | 115.2 Ų | 115.2 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | trans | -89.4 | 146.2 | 166.3 | -155.9 | 176.1 | -157.5 | -163.1 | 3 | 107.2 | ||||
| 697 | Y | 32.2 | Very low | 43.2 | Very low | 185 Ų | 185 | 113.4 Ų | 113.4 | 73% | 0.725 | 62% | 0.62 | S | S | * | * | trans | 102 | 53.8 | 176.9 | -54.3 | -72 | 0 | 0 | 0 | 116.9 | S699 | Y697-S699 PolarHBondContact O-N 3.47Š| ||
| 698 | G | 32.6 | Very low | 45.4 | Very low | 61 Ų | 61 | 109.2 Ų | 109.2 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | trans | -68.2 | 107.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 699 | S | 38 | Very low | 47.8 | Very low | 60 Ų | 60 | 101.4 Ų | 101.4 | 42% | 0.42 | 56% | 0.563 | S | S | . | * | trans | -47.6 | 142.2 | 163.3 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | Y697 D701 | Y697-S699 PolarHBondContact O-N 3.47Å; S699-D701 WeakPolarHBondContact CB-OD1 3.12Å; S699-D701 PolarHBondContact O-N 2.96Å; S699-D701 PolarHBondContact OG-OD1 3.16Å | ||
| 700 | A | 39.6 | Very low | 50.4 | Low | 90 Ų | 90 | 95.7 Ų | 95.7 | 74% | 0.744 | 52% | 0.524 | S | S | * | . | trans | -67.6 | 40.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S702 | A700-S702 PolarHBondContact O-N 2.73Š| ||
| 701 | D | 43.9 | Very low | 52.9 | Low | 122 Ų | 122 | 93 Ų | 93 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | trans | -62 | 95.8 | 166.6 | -69.3 | -2.6 | 0 | 0 | 0 | 104.9 | S699 L703 | S699-D701 WeakPolarHBondContact CB-OD1 3.12Å; S699-D701 PolarHBondContact O-N 2.96Å; S699-D701 PolarHBondContact OG-OD1 3.16Å; D701-L703 PolarHBondContact O-N 3.31Å | ||
| 702 | S | 52 | Low | 55.2 | Low | 38 Ų | 38 | 87.9 Ų | 87.9 | 27% | 0.266 | 47% | 0.469 | S | S | . | . | trans | -21.1 | 132.4 | 163.7 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | A700 L704 | A700-S702 PolarHBondContact O-N 2.73Å; S702-L704 WeakPolarHBondContact O-CG 3.5Å; S702-L704 PolarHBondContact O-N 3.16Å; S702-L704 WeakPolarHBondContact OG-CD1 3.48Å; S702-L704 WeakPolarHBondContact OG-CG 3.31Å | ||
| 703 | L | 53.3 | Low | 57.8 | Low | 32 Ų | 32 | 81.4 Ų | 81.4 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | trans | -60.2 | 72.9 | 174.9 | -64.9 | 170.1 | 0 | 0 | 0 | 110.8 | I680 P682 D701 R709 A712 | I680-L703 HydrophobicContact CG2-CD1 4.1Å; P682-L703 HydrophobicContact CB-CD1 4.17Å; P682-L703 HydrophobicContact CB-CD2 3.96Å; P682-L703 HydrophobicContact CB-CG 3.95Å; P682-L703 HydrophobicContact CG-CD1 4.46Å; P682-L703 HydrophobicContact CG-CG 4.26Å; D701-L703 PolarHBondContact O-N 3.31Å; L703-R709 HydrophobicContact CB-CG 3.83Å; L703-R709 WeakPolarHBondContact O-CD 3.43Å; L703-R709 WeakPolarHBondContact O-CG 3.37Å; L703-A712 HydrophobicContact CD1-CB 3.61Å | ||
| 704 | L | 59.2 | Low | 60.7 | Low | 89 Ų | 89 | 75.2 Ų | 75.2 | 47% | 0.466 | 40% | 0.401 | S | S | . | . | trans | -83.4 | -26.5 | -177.6 | -71.3 | 167.8 | 0 | 0 | 0 | 110.8 | D644 S702 | D644-L704 HydrophobicContact CB-CD2 4.44Å; S702-L704 WeakPolarHBondContact O-CG 3.5Å; S702-L704 PolarHBondContact O-N 3.16Å; S702-L704 WeakPolarHBondContact OG-CD1 3.48Å; S702-L704 WeakPolarHBondContact OG-CG 3.31Å | ||
| 705 | L | 72.2 | Confident | 63.2 | Low | 118 Ų | 118 | 68.6 Ų | 68.6 | 62% | 0.618 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -77.8 | 125.8 | -178.3 | -63.7 | 176 | 0 | 0 | 0 | 110.2 | M707 T708 R709 | L705-M707 PolarHBondContact O-N 3Å; L705-T708 HydrophobicContact CB-CG2 4.19Å; L705-T708 HydrophobicContact CD1-CG2 4.48Å; L705-T708 PolarHBondContact O-N 3.47Å; L705-T708 VanDerWaalsContact O-N 3.11Å; L705-T708 PolarHBondContact O-OG1 3.5Å; L705-R709 WeakPolarHBondContact O-CG 3.43Å; L705-R709 PolarHBondContact O-N 3.38Å |
| 706 | P | 79.6 | Confident | 66 | Low | 28 Ų | 28 | 60.7 Ų | 60.7 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -49.6 | -37.9 | 179.7 | -32.5 | 37.4 | 0 | 0 | 0 | 114.1 | L710 Q926 Q966 | P706-L710 WeakPolarHBondContact O-CG 3.3Å; P706-L710 PolarHBondContact O-N 3.49Å; P706-Q926 HydrophobicContact CB-CG 4.39Å; P706-Q966 PolarHBondContact O-NE2 3.17Å; P706-Q966 VanDerWaalsContact O-NE2 3.13Å |
| 707 | M | 82.5 | Confident | 68.8 | Low | 57 Ų | 57 | 52.3 Ų | 52.3 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | -179.2 | -169.6 | 64.1 | 168.5 | 0 | 0 | 112.9 | L705 R709 L710 C711 K923 M927 | L705-M707 PolarHBondContact O-N 3Å; M707-R709 PolarHBondContact O-N 2.91Å; M707-L710 PolarHBondContact O-N 2.93Å; M707-L710 VanDerWaalsContact O-N 3.14Å; M707-C711 PolarHBondContact O-N 3.3Å; M707-C711 PolarHBondContact O-SG 3.01Å; M707-K923 HydrophobicContact CE-CB 4.14Å; M707-K923 HydrophobicContact CE-CG 4.42Å; M707-K923 HydrophobicContact SD-CB 4.19Å; M707-K923 HydrophobicContact SD-CG 4.17Å; M707-M927 HydrophobicContact CE-CE 3.91Å; M707-M927 HydrophobicContact CE-CG 3.25Å; M707-M927 HydrophobicContact CE-SD 3.31Å; M707-M927 WeakPolarHBondContact CE-SD 3.46Å; M707-M927 HydrophobicContact SD-CG 3.95Å |
| 708 | T | 78.8 | Confident | 71.5 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -30.5 | -180 | 59 | 0 | 0 | 0 | 0 | 111.1 | L705 C711 A712 | L705-T708 HydrophobicContact CB-CG2 4.19Å; L705-T708 HydrophobicContact CD1-CG2 4.48Å; L705-T708 PolarHBondContact O-N 3.47Å; L705-T708 VanDerWaalsContact O-N 3.11Å; L705-T708 PolarHBondContact O-OG1 3.5Å; T708-C711 PolarHBondContact O-N 3.17Å; T708-A712 WeakPolarHBondContact O-CB 3.46Å; T708-A712 PolarHBondContact O-N 3.39Å |
| 709 | R | 82.3 | Confident | 74.1 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 172.3 | -64.7 | -171.3 | 70.5 | -142.6 | -1.5 | 113.4 | E639 P641 L703 L705 M707 A712 R713 | E639-R709 PolarHBondContact O-NH2 3.45Å; P641-R709 VanDerWaalsContact CD-CZ 3.42Å; P641-R709 VanDerWaalsContact CG-CZ 3.45Å; L703-R709 HydrophobicContact CB-CG 3.83Å; L703-R709 WeakPolarHBondContact O-CD 3.43Å; L703-R709 WeakPolarHBondContact O-CG 3.37Å; L705-R709 WeakPolarHBondContact O-CG 3.43Å; L705-R709 PolarHBondContact O-N 3.38Å; M707-R709 PolarHBondContact O-N 2.91Å; R709-A712 PolarHBondContact O-N 3.45Å; R709-R713 WeakPolarHBondContact O-CG 3.3Å; R709-R713 PolarHBondContact O-N 3.41Å |
| 710 | L | 87.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 175.9 | -68.2 | 169.8 | 0 | 0 | 0 | 111.4 | P706 M707 R713 L714 V919 A922 K923 Q926 V968 | P706-L710 WeakPolarHBondContact O-CG 3.3Å; P706-L710 PolarHBondContact O-N 3.49Å; M707-L710 PolarHBondContact O-N 2.93Å; M707-L710 VanDerWaalsContact O-N 3.14Å; L710-R713 WeakPolarHBondContact O-CB 3.39Å; L710-R713 PolarHBondContact O-N 3.42Å; L710-L714 PolarHBondContact O-N 3.29Å; L710-V919 HydrophobicContact CB-CG1 4.2Å; L710-V919 HydrophobicContact CD2-CG1 4.2Å; L710-V919 VanDerWaalsContact O-CG1 3.26Å; L710-V919 WeakPolarHBondContact O-CG1 3.43Å; L710-A922 HydrophobicContact CD1-CB 3.98Å; L710-A922 HydrophobicContact CD2-CB 3.84Å; L710-K923 HydrophobicContact CB-CD 4.07Å; L710-K923 HydrophobicContact CB-CG 3.44Å; L710-K923 VanDerWaalsContact CB-CG 3.44Å; L710-K923 HydrophobicContact CD1-CB 4.49Å; L710-K923 HydrophobicContact CD1-CG 3.85Å; L710-K923 HydrophobicContact CG-CG 4.24Å; L710-Q926 HydrophobicContact CD1-CB 4.27Å; L710-V968 HydrophobicContact CD2-CG2 3.91Å |
| 711 | C | 86 | Confident | 79 | Confident | 47 Ų | 47 | 42 Ų | 42 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 170.8 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | M707 T708 R713 L714 D715 | M707-C711 PolarHBondContact O-N 3.3Å; M707-C711 PolarHBondContact O-SG 3.01Å; T708-C711 PolarHBondContact O-N 3.17Å; C711-R713 PolarHBondContact O-N 3.14Å; C711-L714 WeakPolarHBondContact O-CB 3.3Å; C711-L714 PolarHBondContact O-N 3.49Å; C711-D715 PolarHBondContact O-N 3.31Å |
| 712 | A | 82.5 | Confident | 81.2 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -23.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | I680 L703 T708 R709 A716 | I680-A712 HydrophobicContact CG2-CB 3.4Å; L703-A712 HydrophobicContact CD1-CB 3.61Å; T708-A712 WeakPolarHBondContact O-CB 3.46Å; T708-A712 PolarHBondContact O-N 3.39Å; R709-A712 PolarHBondContact O-N 3.45Å; A712-A716 WeakPolarHBondContact O-CB 3.47Å; A712-A716 PolarHBondContact O-N 2.86Å |
| 713 | R | 89.5 | Confident | 83 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 169.5 | -79.1 | -176.1 | -176.8 | 99.3 | -8.1 | 112.3 | L636 L637 E639 I680 R709 L710 C711 D715 A716 L717 V919 Q966 | L636-R713 HydrophobicContact CD2-CB 4.43Å; L636-R713 HydrophobicContact CD2-CG 4.5Å; L637-R713 PolarHBondContact O-NE 3.4Å; E639-R713 PolarHBondContact O-NH2 3.05Å; I680-R713 HydrophobicContact CD1-CG 3.26Å; I680-R713 HydrophobicContact CG1-CG 3.7Å; R709-R713 WeakPolarHBondContact O-CG 3.3Å; R709-R713 PolarHBondContact O-N 3.41Å; L710-R713 WeakPolarHBondContact O-CB 3.39Å; L710-R713 PolarHBondContact O-N 3.42Å; C711-R713 PolarHBondContact O-N 3.14Å; R713-D715 VanDerWaalsContact C-N 3.34Å; R713-A716 PolarHBondContact O-N 3.42Å; R713-L717 WeakPolarHBondContact O-CG 3.48Å; R713-L717 PolarHBondContact O-N 2.85Å; R713-V919 HydrophobicContact CB-CG1 4.05Å; R713-V919 HydrophobicContact CB-CG2 4.3Å; R713-Q966 PolarHBondContact NH2-O 3.4Å |
| 714 | L | 89.9 | Confident | 84.8 | Confident | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.8 | -68.3 | 163.3 | 0 | 0 | 0 | 111 | L710 C711 A716 L717 H718 V919 E920 K923 | L710-L714 PolarHBondContact O-N 3.29Å; C711-L714 WeakPolarHBondContact O-CB 3.3Å; C711-L714 PolarHBondContact O-N 3.49Å; L714-A716 VanDerWaalsContact C-N 3.28Å; L714-A716 PolarHBondContact O-N 2.84Å; L714-L717 PolarHBondContact O-N 2.93Å; L714-H718 PolarHBondContact O-N 3.35Å; L714-V919 HydrophobicContact CD1-CG1 4.24Å; L714-V919 HydrophobicContact CD2-CB 3.83Å; L714-V919 HydrophobicContact CD2-CG1 3.93Å; L714-V919 HydrophobicContact CG-CB 4.17Å; L714-V919 HydrophobicContact CG-CG1 3.68Å; L714-E920 HydrophobicContact CD1-CG 4.31Å; L714-E920 WeakPolarHBondContact CD1-OE1 3.21Å; L714-E920 HydrophobicContact CD2-CG 4.28Å; L714-K923 HydrophobicContact CD1-CD 3.64Å; L714-K923 VanDerWaalsContact CD1-NZ 3.3Å |
| 715 | D | 84.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 34.7 Ų | 34.7 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.3 | -61 | -26.7 | 0 | 0 | 0 | 111.4 | C711 R713 H718 T719 | C711-D715 PolarHBondContact O-N 3.31Å; R713-D715 VanDerWaalsContact C-N 3.34Å; D715-H718 WeakPolarHBondContact O-CB 3.32Å; D715-H718 PolarHBondContact O-N 2.92Å; D715-T719 PolarHBondContact O-N 2.95Å; D715-T719 PolarHBondContact O-OG1 3.4Å |
| 716 | A | 87.9 | Confident | 86.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.1 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W601 L636 A712 R713 L714 H718 T719 L720 | W601-A716 HydrophobicContact CZ2-CB 4.14Å; W601-A716 VanDerWaalsContact CZ2-O 3.24Å; W601-A716 WeakPolarHBondContact CZ2-O 3.37Å; L636-A716 HydrophobicContact CD1-CB 3.53Å; L636-A716 HydrophobicContact CD2-CB 4.17Å; L636-A716 HydrophobicContact CG-CB 4.02Å; A712-A716 WeakPolarHBondContact O-CB 3.47Å; A712-A716 PolarHBondContact O-N 2.86Å; R713-A716 PolarHBondContact O-N 3.42Å; L714-A716 VanDerWaalsContact C-N 3.28Å; L714-A716 PolarHBondContact O-N 2.84Å; A716-H718 VanDerWaalsContact C-N 3.35Å; A716-T719 WeakPolarHBondContact O-CB 3.46Å; A716-T719 PolarHBondContact O-N 3.48Å; A716-L720 WeakPolarHBondContact O-CB 3.44Å; A716-L720 PolarHBondContact O-N 3.35Å |
| 717 | L | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 171.8 | -71.3 | 173.9 | 0 | 0 | 0 | 112 | I633 L636 L637 R713 L714 L720 Q721 A915 V919 | I633-L717 HydrophobicContact CG2-CD2 4.03Å; L636-L717 HydrophobicContact CD2-CD2 3.76Å; L636-L717 HydrophobicContact CD2-CG 3.78Å; L637-L717 HydrophobicContact CD2-CD1 4.18Å; R713-L717 WeakPolarHBondContact O-CG 3.48Å; R713-L717 PolarHBondContact O-N 2.85Å; L714-L717 PolarHBondContact O-N 2.93Å; L717-L720 WeakPolarHBondContact O-CB 3.49Å; L717-L720 PolarHBondContact O-N 3.29Å; L717-Q721 PolarHBondContact O-N 3.5Å; L717-A915 HydrophobicContact CD1-CB 4.19Å; L717-A915 HydrophobicContact CD2-CB 4.2Å; L717-V919 HydrophobicContact CD1-CG2 4.06Å |
| 718 | H | 88.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 27.5 Ų | 27.5 | 45% | 0.454 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.9 | -43 | 172.9 | -175.2 | -81.1 | 0 | 0 | 0 | 111.6 | L714 D715 A716 L720 Q721 E722 | L714-H718 PolarHBondContact O-N 3.35Å; D715-H718 WeakPolarHBondContact O-CB 3.32Å; D715-H718 PolarHBondContact O-N 2.92Å; A716-H718 VanDerWaalsContact C-N 3.35Å; H718-L720 PolarHBondContact O-N 3.03Å; H718-Q721 WeakPolarHBondContact O-CA 3.41Å; H718-Q721 VanDerWaalsContact O-CB 3.31Å; H718-Q721 WeakPolarHBondContact O-CB 3.29Å; H718-Q721 PolarHBondContact O-N 3.48Å; H718-E722 IonicContact CE1-OE1 3.12Å; H718-E722 PolarHBondContact CE1-OE1 3.4Å; H718-E722 IonicContact ND1-OE1 2.75Å; H718-E722 PolarHBondContact ND1-OE1 2.66Å; H718-E722 PolarHBondContact O-N 3.4Å |
| 719 | T | 86.8 | Confident | 87.3 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -37.9 | 174.8 | -53.6 | 0 | 0 | 0 | 0 | 111 | F600 W601 D715 A716 E722 L723 | F600-T719 HydrophobicContact CD1-CG2 3.85Å; F600-T719 HydrophobicContact CE1-CG2 3.63Å; F600-T719 WeakPolarHBondContact CE1-O 3.25Å; W601-T719 HydrophobicContact CD2-CG2 3.69Å; W601-T719 HydrophobicContact CE3-CG2 3.66Å; W601-T719 HydrophobicContact CG-CG2 4.46Å; W601-T719 HydrophobicContact CH2-CG2 3.79Å; W601-T719 HydrophobicContact CZ2-CG2 3.77Å; W601-T719 HydrophobicContact CZ3-CG2 3.73Å; D715-T719 PolarHBondContact O-N 2.95Å; D715-T719 PolarHBondContact O-OG1 3.4Å; A716-T719 WeakPolarHBondContact O-CB 3.46Å; A716-T719 PolarHBondContact O-N 3.48Å; T719-E722 WeakPolarHBondContact O-CB 3.42Å; T719-E722 PolarHBondContact O-N 3.32Å; T719-L723 PolarHBondContact O-N 3.45Å |
| 720 | L | 90.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.1 | -33.2 | 174.8 | -161.6 | 123.1 | 0 | 0 | 0 | 112.2 | W601 Y629 L632 I633 L636 A716 L717 H718 W724 L912 | W601-L720 HydrophobicContact CH2-CB 3.8Å; W601-L720 HydrophobicContact CH2-CD1 4.07Å; W601-L720 HydrophobicContact CH2-CG 4.37Å; Y629-L720 HydrophobicContact CD1-CD2 3.76Å; Y629-L720 HydrophobicContact CD1-CG 4.43Å; Y629-L720 HydrophobicContact CE1-CD1 4.35Å; Y629-L720 HydrophobicContact CE1-CD2 3.12Å; Y629-L720 HydrophobicContact CE1-CG 3.56Å; Y629-L720 PolarHBondContact OH-O 3.43Å; L632-L720 HydrophobicContact CD2-CD1 3.76Å; L632-L720 HydrophobicContact CG-CD1 3.97Å; I633-L720 HydrophobicContact CD1-CD2 3.81Å; I633-L720 HydrophobicContact CG1-CD1 4.45Å; I633-L720 HydrophobicContact CG1-CD2 3.35Å; L636-L720 HydrophobicContact CD1-CD1 4.43Å; A716-L720 WeakPolarHBondContact O-CB 3.44Å; A716-L720 PolarHBondContact O-N 3.35Å; L717-L720 WeakPolarHBondContact O-CB 3.49Å; L717-L720 PolarHBondContact O-N 3.29Å; H718-L720 PolarHBondContact O-N 3.03Å; L720-W724 PolarHBondContact O-N 3.29Å; L720-L912 HydrophobicContact CB-CD1 4.38Å; L720-L912 HydrophobicContact CD2-CD1 3.38Å |
| 721 | Q | 90.6 | Very high | 86.8 | Confident | 44 Ų | 44 | 29.9 Ų | 29.9 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 170.2 | 178.8 | 177.6 | -6.8 | 0 | 0 | 111.5 | L717 H718 W724 L725 L909 L912 | L717-Q721 PolarHBondContact O-N 3.5Å; H718-Q721 WeakPolarHBondContact O-CA 3.41Å; H718-Q721 VanDerWaalsContact O-CB 3.31Å; H718-Q721 WeakPolarHBondContact O-CB 3.29Å; H718-Q721 PolarHBondContact O-N 3.48Å; Q721-W724 PolarHBondContact O-N 3.27Å; Q721-L725 HydrophobicContact CG-CD1 4.36Å; Q721-L725 WeakPolarHBondContact O-CG 3.1Å; Q721-L725 PolarHBondContact O-N 3.28Å; Q721-L909 HydrophobicContact CG-CD2 3.88Å; Q721-L912 HydrophobicContact CB-CD1 4.25Å; Q721-L912 HydrophobicContact CB-CD2 3.93Å |
| 722 | E | 88.7 | Confident | 86.2 | Confident | 82 Ų | 82 | 28.7 Ų | 28.7 | 38% | 0.383 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.2 | -69.5 | -176.3 | -172.6 | 0 | 0 | 112.2 | F600 H718 T719 W724 L725 L726 | F600-E722 HydrophobicContact CE1-CB 4.25Å; F600-E722 HydrophobicContact CZ-CB 4.06Å; H718-E722 IonicContact CE1-OE1 3.12Å; H718-E722 PolarHBondContact CE1-OE1 3.4Å; H718-E722 IonicContact ND1-OE1 2.75Å; H718-E722 PolarHBondContact ND1-OE1 2.66Å; H718-E722 PolarHBondContact O-N 3.4Å; T719-E722 WeakPolarHBondContact O-CB 3.42Å; T719-E722 PolarHBondContact O-N 3.32Å; E722-W724 VanDerWaalsContact C-N 3.32Å; E722-W724 PolarHBondContact O-N 2.89Å; E722-L725 PolarHBondContact O-N 3.07Å; E722-L726 WeakPolarHBondContact O-CB 3.01Å; E722-L726 PolarHBondContact O-N 3.35Å |
| 723 | L | 90.7 | Very high | 85.6 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 175.4 | 179 | 62 | 0 | 0 | 0 | 111.5 | V596 A597 F600 W601 T608 L612 T719 L726 L727 | V596-L723 HydrophobicContact CG1-CD1 4.04Å; A597-L723 HydrophobicContact CB-CD2 3.95Å; F600-L723 HydrophobicContact CB-CD1 4.04Å; F600-L723 HydrophobicContact CD1-CB 3.89Å; F600-L723 HydrophobicContact CD1-CD1 4.18Å; F600-L723 HydrophobicContact CD1-CG 4.45Å; F600-L723 HydrophobicContact CD2-CD1 4.08Å; F600-L723 HydrophobicContact CE1-CB 3.93Å; F600-L723 HydrophobicContact CG-CB 4.41Å; F600-L723 HydrophobicContact CG-CD1 3.83Å; F600-L723 HydrophobicContact CZ-CB 4.47Å; W601-L723 HydrophobicContact CZ3-CD2 4.33Å; T608-L723 HydrophobicContact CG2-CD1 3.76Å; L612-L723 HydrophobicContact CD1-CD1 4.4Å; T719-L723 PolarHBondContact O-N 3.45Å; L723-L726 WeakPolarHBondContact O-CB 3.02Å; L723-L726 PolarHBondContact O-N 2.93Å; L723-L727 PolarHBondContact O-N 3.34Å |
| 724 | W | 90.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.2 | -179.1 | 87.4 | 0 | 0 | 0 | 111.3 | Y629 L720 Q721 E722 L726 L727 Y728 H907 F908 L909 | Y629-W724 HydrophobicContact CE1-CB 4.25Å; Y629-W724 WeakPolarHBondContact OH-CB 3.04Å; Y629-W724 PolarHBondContact OH-N 2.74Å; Y629-W724 VanDerWaalsContact OH-N 3.14Å; L720-W724 PolarHBondContact O-N 3.29Å; Q721-W724 PolarHBondContact O-N 3.27Å; E722-W724 VanDerWaalsContact C-N 3.32Å; E722-W724 PolarHBondContact O-N 2.89Å; W724-L726 VanDerWaalsContact C-N 3.33Å; W724-L726 PolarHBondContact O-N 3.42Å; W724-L727 PolarHBondContact O-N 3.4Å; W724-Y728 AromaticContact CH2-CD2 3.85Å; W724-Y728 HydrophobicContact CH2-CD2 3.85Å; W724-Y728 HydrophobicContact CH2-CE2 4.43Å; W724-Y728 HydrophobicContact CH2-CG 4.14Å; W724-Y728 HydrophobicContact CZ2-CD2 4.06Å; W724-Y728 HydrophobicContact CZ3-CG 4.4Å; W724-Y728 WeakPolarHBondContact O-CB 3.14Å; W724-Y728 PolarHBondContact O-N 2.92Å; W724-H907 AromaticContact CH2-CE1 3.38Å; W724-H907 WeakPolarHBondContact CH2-CE1 3.3Å; W724-H907 AromaticContact CH2-NE2 3.76Å; W724-H907 AromaticContact CZ2-CE1 3.74Å; W724-F908 HydrophobicContact CB-CE1 4.02Å; W724-F908 AromaticContact CD1-CD1 3.36Å; W724-F908 AromaticContact CD1-CE1 3.48Å; W724-F908 VanDerWaalsContact CD1-CE1 3.48Å; W724-F908 AromaticContact CD2-CD1 3.8Å; W724-F908 HydrophobicContact CD2-CD1 3.8Å; W724-F908 HydrophobicContact CD2-CE1 4.17Å; W724-F908 AromaticContact CE2-CD1 3.63Å; W724-F908 AromaticContact CG-CD1 3.66Å; W724-F908 HydrophobicContact CG-CD1 3.66Å; W724-F908 AromaticContact CG-CE1 3.61Å; W724-F908 HydrophobicContact CG-CE1 3.61Å; W724-F908 HydrophobicContact CZ2-CD1 4.4Å; W724-F908 AromaticContact NE1-CD1 3.31Å; W724-F908 VanDerWaalsContact NE1-CD1 3.31Å; W724-F908 AromaticContact NE1-CE1 3.96Å; W724-F908 AromaticContact NE1-CG 3.77Å; W724-L909 HydrophobicContact CD2-CD2 4.25Å; W724-L909 HydrophobicContact CE3-CD1 4.27Å; W724-L909 HydrophobicContact CE3-CD2 3.72Å; W724-L909 HydrophobicContact CE3-CG 4.06Å; W724-L909 HydrophobicContact CH2-CD1 4.27Å; W724-L909 HydrophobicContact CH2-CG 4.3Å; W724-L909 HydrophobicContact CZ3-CD1 3.73Å; W724-L909 HydrophobicContact CZ3-CD2 4.04Å; W724-L909 HydrophobicContact CZ3-CG 3.89Å |
| 725 | L | 87.4 | Confident | 82.8 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.9 | -73.4 | 169.4 | 0 | 0 | 0 | 111.8 | Q721 E722 Y728 H729 T1042 | Q721-L725 HydrophobicContact CG-CD1 4.36Å; Q721-L725 WeakPolarHBondContact O-CG 3.1Å; Q721-L725 PolarHBondContact O-N 3.28Å; E722-L725 PolarHBondContact O-N 3.07Å; L725-Y728 PolarHBondContact O-N 3.4Å; L725-H729 WeakPolarHBondContact O-CB 3.31Å; L725-H729 PolarHBondContact O-CD2 3.28Å; L725-H729 PolarHBondContact O-N 2.98Å; L725-T1042 HydrophobicContact CD2-CG2 4.25Å |
| 726 | L | 86.4 | Confident | 81.2 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.8 | -173.8 | 69.3 | 0 | 0 | 0 | 111.2 | F600 T608 L609 L612 E722 L723 W724 H729 L730 | F600-L726 HydrophobicContact CD2-CD2 4.29Å; F600-L726 HydrophobicContact CE2-CD2 4Å; T608-L726 HydrophobicContact CG2-CD2 4.22Å; L609-L726 HydrophobicContact CD2-CD1 3.82Å; L609-L726 HydrophobicContact CD2-CD2 4.04Å; L609-L726 HydrophobicContact CD2-CG 3.82Å; L609-L726 HydrophobicContact CG-CD1 4.42Å; L609-L726 HydrophobicContact CG-CD2 4.28Å; L612-L726 HydrophobicContact CD1-CD2 4.23Å; L612-L726 HydrophobicContact CD1-CG 4.45Å; E722-L726 WeakPolarHBondContact O-CB 3.01Å; E722-L726 PolarHBondContact O-N 3.35Å; L723-L726 WeakPolarHBondContact O-CB 3.02Å; L723-L726 PolarHBondContact O-N 2.93Å; W724-L726 VanDerWaalsContact C-N 3.33Å; W724-L726 PolarHBondContact O-N 3.42Å; L726-H729 PolarHBondContact O-N 2.99Å; L726-L730 WeakPolarHBondContact O-CB 3.38Å; L726-L730 PolarHBondContact O-N 2.79Å |
| 727 | L | 86.5 | Confident | 79.4 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.6 | 171.5 | 63.1 | 0 | 0 | 0 | 111.7 | L612 I616 F625 L723 W724 H729 L730 C731 I749 | L612-L727 HydrophobicContact CD1-CB 4.37Å; L612-L727 HydrophobicContact CD2-CD1 4.15Å; I616-L727 HydrophobicContact CD1-CD1 3.88Å; I616-L727 HydrophobicContact CG1-CD1 4.04Å; F625-L727 HydrophobicContact CD2-CD2 4.3Å; F625-L727 HydrophobicContact CE1-CD2 3.61Å; F625-L727 HydrophobicContact CE2-CD2 3.36Å; F625-L727 HydrophobicContact CZ-CD2 2.96Å; F625-L727 HydrophobicContact CZ-CG 4.47Å; L723-L727 PolarHBondContact O-N 3.34Å; W724-L727 PolarHBondContact O-N 3.4Å; L727-H729 PolarHBondContact O-N 3.5Å; L727-L730 PolarHBondContact O-N 3.28Å; L727-C731 PolarHBondContact O-N 2.84Å; L727-C731 PolarHBondContact O-SG 2.93Å; L727-I749 HydrophobicContact CD2-CG2 4.45Å |
| 728 | Y | 83.6 | Confident | 77.3 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 178.6 | -178.3 | -95.8 | 0 | 0 | 0 | 111.2 | W724 L725 L730 C731 C732 V746 C1046 | W724-Y728 AromaticContact CH2-CD2 3.85Å; W724-Y728 HydrophobicContact CH2-CD2 3.85Å; W724-Y728 HydrophobicContact CH2-CE2 4.43Å; W724-Y728 HydrophobicContact CH2-CG 4.14Å; W724-Y728 HydrophobicContact CZ2-CD2 4.06Å; W724-Y728 HydrophobicContact CZ3-CG 4.4Å; W724-Y728 WeakPolarHBondContact O-CB 3.14Å; W724-Y728 PolarHBondContact O-N 2.92Å; L725-Y728 PolarHBondContact O-N 3.4Å; Y728-L730 PolarHBondContact O-N 3.36Å; Y728-C731 PolarHBondContact O-N 2.89Å; Y728-C732 WeakPolarHBondContact O-CB 3.24Å; Y728-C732 PolarHBondContact O-N 2.83Å; Y728-C732 PolarHBondContact O-SG 3.47Å; Y728-V746 HydrophobicContact CD2-CG1 3.78Å; Y728-V746 HydrophobicContact CE2-CG1 3.36Å; Y728-C1046 HydrophobicContact CE1-CB 4.09Å; Y728-C1046 HydrophobicContact CE2-CB 4.41Å; Y728-C1046 PolarHBondContact OH-O 3.2Å |
| 729 | H | 81.7 | Confident | 75.3 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.4 | -72.2 | -47.8 | 0 | 0 | 0 | 112.9 | L725 L726 L727 C732 S733 | L725-H729 WeakPolarHBondContact O-CB 3.31Å; L725-H729 PolarHBondContact O-CD2 3.28Å; L725-H729 PolarHBondContact O-N 2.98Å; L726-H729 PolarHBondContact O-N 2.99Å; L727-H729 PolarHBondContact O-N 3.5Å; H729-C732 PolarHBondContact O-N 2.92Å; H729-S733 VanDerWaalsContact O-CB 3.29Å; H729-S733 WeakPolarHBondContact O-CB 3.44Å; H729-S733 PolarHBondContact O-N 2.99Å |
| 730 | L | 81.4 | Confident | 73.2 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.2 | -176.5 | 60.3 | 0 | 0 | 0 | 111 | L609 L612 K613 I616 L726 L727 Y728 C732 S733 E734 | L609-L730 HydrophobicContact CD2-CD1 4.44Å; L609-L730 HydrophobicContact CD2-CD2 4.12Å; L612-L730 HydrophobicContact CB-CD2 3.72Å; L612-L730 HydrophobicContact CD1-CD2 4.46Å; K613-L730 HydrophobicContact CG-CD2 4.2Å; I616-L730 HydrophobicContact CD1-CB 4.4Å; I616-L730 HydrophobicContact CD1-CD2 3.39Å; I616-L730 HydrophobicContact CD1-CG 3.65Å; L726-L730 WeakPolarHBondContact O-CB 3.38Å; L726-L730 PolarHBondContact O-N 2.79Å; L727-L730 PolarHBondContact O-N 3.28Å; Y728-L730 PolarHBondContact O-N 3.36Å; L730-C732 PolarHBondContact O-N 3.03Å; L730-S733 PolarHBondContact O-N 3.16Å; L730-E734 HydrophobicContact CD1-CG 4.35Å; L730-E734 WeakPolarHBondContact O-CG 3.39Å; L730-E734 PolarHBondContact O-N 3.29Å |
| 731 | C | 78 | Confident | 70.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | W622 L727 Y728 C735 I744 V746 I749 | W622-C731 VanDerWaalsContact CH2-SG 3.59Å; L727-C731 PolarHBondContact O-N 2.84Å; L727-C731 PolarHBondContact O-SG 2.93Å; Y728-C731 PolarHBondContact O-N 2.89Å; C731-C735 PolarHBondContact O-N 3.43Å; C731-C735 VanDerWaalsContact O-N 3.16Å; C731-C735 PolarHBondContact O-SG 2.88Å; C731-I744 HydrophobicContact CB-CG2 4.49Å; C731-V746 HydrophobicContact CB-CG2 4.16Å; C731-I749 HydrophobicContact CB-CD1 4.43Å |
| 732 | C | 73.7 | Confident | 68.7 | Low | 22 Ų | 22 | 74.3 Ų | 74.3 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 176.7 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | Y728 H729 L730 H736 | Y728-C732 WeakPolarHBondContact O-CB 3.24Å; Y728-C732 PolarHBondContact O-N 2.83Å; Y728-C732 PolarHBondContact O-SG 3.47Å; H729-C732 PolarHBondContact O-N 2.92Å; L730-C732 PolarHBondContact O-N 3.03Å; C732-H736 PolarHBondContact O-CD2 3.07Å; C732-H736 VanDerWaalsContact O-CD2 3.31Å |
| 733 | S | 68.9 | Low | 66.9 | Low | 76 Ų | 76 | 74.1 Ų | 74.1 | 53% | 0.531 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | H729 L730 C735 H736 | H729-S733 VanDerWaalsContact O-CB 3.29Å; H729-S733 WeakPolarHBondContact O-CB 3.44Å; H729-S733 PolarHBondContact O-N 2.99Å; L730-S733 PolarHBondContact O-N 3.16Å; S733-C735 VanDerWaalsContact C-N 3.34Å; S733-C735 PolarHBondContact O-N 3.01Å; S733-H736 WeakPolarHBondContact O-CB 3.31Å; S733-H736 PolarHBondContact O-N 2.87Å |
| 734 | E | 65.1 | Low | 65.3 | Low | 27 Ų | 27 | 75.3 Ų | 75.3 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.2 | -31.9 | 179.8 | -71.4 | -167.3 | 169.1 | 0 | 0 | 112.8 | I616 L730 H736 R737 W740 | I616-E734 WeakPolarHBondContact CG2-OE2 3.44Å; L730-E734 HydrophobicContact CD1-CG 4.35Å; L730-E734 WeakPolarHBondContact O-CG 3.39Å; L730-E734 PolarHBondContact O-N 3.29Å; E734-H736 PolarHBondContact O-N 3.36Å; E734-R737 PolarHBondContact O-N 2.73Å; E734-R737 VanDerWaalsContact O-N 3.1Å; E734-W740 WeakPolarHBondContact OE2-CH2 3.21Å |
| 735 | C | 56.6 | Low | 63.8 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.9 | 172.4 | -73.3 | 0 | 0 | 0 | 0 | 113.9 | C731 S733 | C731-C735 PolarHBondContact O-N 3.43Å; C731-C735 VanDerWaalsContact O-N 3.16Å; C731-C735 PolarHBondContact O-SG 2.88Å; S733-C735 VanDerWaalsContact C-N 3.34Å; S733-C735 PolarHBondContact O-N 3.01Å |
| 736 | H | 51 | Low | 62.7 | Low | 129 Ų | 129 | 78 Ų | 78 | 60% | 0.597 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.5 | 178.3 | -68.4 | -44.4 | 0 | 0 | 0 | 114.6 | C732 S733 E734 E738 | C732-H736 PolarHBondContact O-CD2 3.07Å; C732-H736 VanDerWaalsContact O-CD2 3.31Å; S733-H736 WeakPolarHBondContact O-CB 3.31Å; S733-H736 PolarHBondContact O-N 2.87Å; E734-H736 PolarHBondContact O-N 3.36Å; H736-E738 PolarHBondContact O-N 3.04Å |
| 737 | R | 50.5 | Low | 61.7 | Low | 190 Ų | 190 | 77.2 Ų | 77.2 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -81.3 | 111.7 | 172.3 | -75.1 | -171.4 | -172.9 | -161.1 | 2.9 | 109 | E734 Q739 W740 | E734-R737 PolarHBondContact O-N 2.73Å; E734-R737 VanDerWaalsContact O-N 3.1Å; R737-Q739 PolarHBondContact O-N 3.16Å; R737-W740 PolarHBondContact O-N 3.24Å |
| 738 | E | 46.3 | Very low | 60.6 | Low | 181 Ų | 181 | 80.6 Ų | 80.6 | 85% | 0.846 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -11.3 | -177.4 | -62.6 | -178.9 | 162.8 | 0 | 0 | 116.1 | H736 N741 | H736-E738 PolarHBondContact O-N 3.04Å; E738-N741 PolarHBondContact O-OD1 2.57Å |
| 739 | Q | 47.8 | Very low | 60 | Low | 182 Ų | 182 | 80.5 Ų | 80.5 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -16.2 | 175.6 | -75.6 | 177.1 | -15.2 | 0 | 0 | 114.3 | R737 N741 | R737-Q739 PolarHBondContact O-N 3.16Å; Q739-N741 PolarHBondContact O-N 3.38Å; Q739-N741 VanDerWaalsContact O-N 3.08Å |
| 740 | W | 42.2 | Very low | 59.8 | Low | 87 Ų | 87 | 76.3 Ų | 76.3 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -87.8 | 64.3 | 175 | -74.5 | 54.5 | 0 | 0 | 0 | 110.1 | I616 H617 E734 R737 Q742 I744 | I616-W740 HydrophobicContact CG2-CH2 3.82Å; I616-W740 HydrophobicContact CG2-CZ3 4.17Å; H617-W740 AromaticContact CE1-CH2 3.92Å; H617-W740 AromaticContact CE1-CZ2 3.56Å; E734-W740 WeakPolarHBondContact OE2-CH2 3.21Å; R737-W740 PolarHBondContact O-N 3.24Å; W740-Q742 PolarHBondContact O-N 2.87Å; W740-I744 HydrophobicContact CE3-CD1 3.4Å; W740-I744 VanDerWaalsContact CE3-CD1 3.4Å; W740-I744 HydrophobicContact CE3-CG1 3.9Å; W740-I744 HydrophobicContact CH2-CD1 4.24Å; W740-I744 HydrophobicContact CZ3-CD1 3.22Å; W740-I744 HydrophobicContact CZ3-CG1 3.82Å |
| 741 | N | 40.2 | Very low | 59.8 | Low | 133 Ų | 133 | 76.2 Ų | 76.2 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | trans | -64.5 | 106.4 | 174.8 | -75.9 | -39.5 | 0 | 0 | 0 | 109.7 | E738 Q739 | E738-N741 PolarHBondContact O-OD1 2.57Å; Q739-N741 PolarHBondContact O-N 3.38Å; Q739-N741 VanDerWaalsContact O-N 3.08Å | ||
| 742 | Q | 45.8 | Very low | 59.9 | Low | 189 Ų | 189 | 76.5 Ų | 76.5 | 88% | 0.883 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 89.7 | 22.5 | 149.7 | -59.6 | -177.5 | -21.8 | 0 | 0 | 123.1 | W740 | W740-Q742 PolarHBondContact O-N 2.87Š|
| 743 | S | 51.7 | Low | 60.2 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | trans | -149.5 | -4.5 | 179.2 | 61.5 | 0 | 0 | 0 | 0 | 123.4 | N745 | S743-N745 VanDerWaalsContact C-N 3.3Å; S743-N745 PolarHBondContact O-N 3.32Å | ||
| 744 | I | 55.4 | Low | 60.5 | Low | 27 Ų | 27 | 75.4 Ų | 75.4 | 14% | 0.138 | 37% | 0.368 | C | S | . | . | trans | -79.5 | 89.2 | 168.8 | -53.9 | 167.9 | 0 | 0 | 0 | 108.5 | I616 W622 C731 W740 V746 | I616-I744 HydrophobicContact CG2-CD1 4.42Å; W622-I744 HydrophobicContact CH2-CG2 4.15Å; W622-I744 HydrophobicContact CZ2-CD1 4.43Å; W622-I744 HydrophobicContact CZ2-CG1 4.29Å; W622-I744 HydrophobicContact CZ2-CG2 4.33Å; W622-I744 HydrophobicContact CZ3-CG2 4.49Å; C731-I744 HydrophobicContact CB-CG2 4.49Å; W740-I744 HydrophobicContact CE3-CD1 3.4Å; W740-I744 VanDerWaalsContact CE3-CD1 3.4Å; W740-I744 HydrophobicContact CE3-CG1 3.9Å; W740-I744 HydrophobicContact CH2-CD1 4.24Å; W740-I744 HydrophobicContact CZ3-CD1 3.22Å; W740-I744 HydrophobicContact CZ3-CG1 3.82Å; I744-V746 HydrophobicContact CG2-CG2 4.03Å; I744-V746 PolarHBondContact O-N 3.32Å; I744-V746 VanDerWaalsContact O-N 3.07Å | ||
| 745 | N | 60.4 | Low | 60.8 | Low | 89 Ų | 89 | 75.8 Ų | 75.8 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | trans | -75.2 | 93.8 | 167.5 | -167.4 | -5.4 | 0 | 0 | 0 | 108.1 | S743 D747 L748 | S743-N745 VanDerWaalsContact C-N 3.3Å; S743-N745 PolarHBondContact O-N 3.32Å; N745-D747 PolarHBondContact O-N 3.06Å; N745-D747 VanDerWaalsContact O-N 3.09Å; N745-D747 VanDerWaalsContact OD1-CB 3.26Å; N745-D747 WeakPolarHBondContact OD1-CB 3.07Å; N745-D747 PolarHBondContact OD1-N 3.08Å; N745-L748 WeakPolarHBondContact O-CB 3.36Å; N745-L748 PolarHBondContact O-N 2.88Å | ||
| 746 | V | 64 | Low | 61.7 | Low | 11 Ų | 11 | 74.9 Ų | 74.9 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | Y728 C731 I744 L748 I749 S750 M1050 | Y728-V746 HydrophobicContact CD2-CG1 3.78Å; Y728-V746 HydrophobicContact CE2-CG1 3.36Å; C731-V746 HydrophobicContact CB-CG2 4.16Å; I744-V746 HydrophobicContact CG2-CG2 4.03Å; I744-V746 PolarHBondContact O-N 3.32Å; I744-V746 VanDerWaalsContact O-N 3.07Å; V746-L748 PolarHBondContact O-N 3.06Å; V746-I749 WeakPolarHBondContact O-CB 3.41Å; V746-I749 PolarHBondContact O-N 2.86Å; V746-I749 VanDerWaalsContact O-N 3.07Å; V746-S750 PolarHBondContact O-N 3.16Å; V746-S750 PolarHBondContact O-OG 2.82Å; V746-M1050 HydrophobicContact CB-CE 3.35Å; V746-M1050 HydrophobicContact CG1-CE 3.47Å; V746-M1050 VanDerWaalsContact CG1-CE 3.47Å |
| 747 | D | 64.3 | Low | 63.2 | Low | 24 Ų | 24 | 68.7 Ų | 68.7 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.2 | -29.1 | 172.1 | -67.4 | -16.7 | 0 | 0 | 0 | 112.8 | N745 I749 S750 S751 M1050 | N745-D747 PolarHBondContact O-N 3.06Å; N745-D747 VanDerWaalsContact O-N 3.09Å; N745-D747 VanDerWaalsContact OD1-CB 3.26Å; N745-D747 WeakPolarHBondContact OD1-CB 3.07Å; N745-D747 PolarHBondContact OD1-N 3.08Å; D747-I749 PolarHBondContact O-N 3.4Å; D747-S750 WeakPolarHBondContact CA-OG 3.36Å; D747-S750 PolarHBondContact O-N 3.31Å; D747-S751 WeakPolarHBondContact O-CB 3.4Å; D747-S751 PolarHBondContact O-N 3.07Å; D747-M1050 WeakPolarHBondContact OD1-CE 3.32Å |
| 748 | L | 63.4 | Low | 64.6 | Low | 76 Ų | 76 | 60 Ų | 60 | 40% | 0.398 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.3 | -21.2 | -179.6 | -141.5 | 82.3 | 0 | 0 | 0 | 112.3 | W622 K623 P626 N745 V746 | W622-L748 HydrophobicContact CB-CD2 3.83Å; K623-L748 VanDerWaalsContact CA-CD2 3.44Å; K623-L748 HydrophobicContact CB-CD2 3.85Å; P626-L748 WeakPolarHBondContact CG-O 3.41Å; N745-L748 WeakPolarHBondContact O-CB 3.36Å; N745-L748 PolarHBondContact O-N 2.88Å; V746-L748 PolarHBondContact O-N 3.06Å |
| 749 | I | 71.2 | Confident | 66.1 | Low | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -95.1 | -36.3 | -177.9 | -49.6 | 163.2 | 0 | 0 | 0 | 110.3 | W622 F625 L727 C731 V746 D747 | W622-I749 HydrophobicContact CE3-CD1 3.61Å; W622-I749 HydrophobicContact CE3-CG1 3.64Å; W622-I749 HydrophobicContact CH2-CD1 4.22Å; W622-I749 HydrophobicContact CZ3-CD1 3.23Å; W622-I749 HydrophobicContact CZ3-CG1 3.79Å; F625-I749 HydrophobicContact CD1-CG2 3.46Å; F625-I749 VanDerWaalsContact CD1-CG2 3.46Å; F625-I749 HydrophobicContact CE1-CG2 3.77Å; F625-I749 HydrophobicContact CG-CG2 4.11Å; L727-I749 HydrophobicContact CD2-CG2 4.45Å; C731-I749 HydrophobicContact CB-CD1 4.43Å; V746-I749 WeakPolarHBondContact O-CB 3.41Å; V746-I749 PolarHBondContact O-N 2.86Å; V746-I749 VanDerWaalsContact O-N 3.07Å; D747-I749 PolarHBondContact O-N 3.4Å |
| 750 | S | 78.4 | Confident | 67.7 | Low | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90.2 | -29 | -174.6 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | V746 D747 H907 F908 | V746-S750 PolarHBondContact O-N 3.16Å; V746-S750 PolarHBondContact O-OG 2.82Å; D747-S750 WeakPolarHBondContact CA-OG 3.36Å; D747-S750 PolarHBondContact O-N 3.31Å; S750-H907 CarbonylContact O-C 3.55Å; S750-H907 WeakPolarHBondContact O-CA 3.34Å; S750-F908 WeakPolarHBondContact O-CB 3.47Å; S750-F908 PolarHBondContact O-N 3.28Å |
| 751 | S | 80.1 | Confident | 69.4 | Low | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.4 | -173.4 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | D747 E905 | D747-S751 WeakPolarHBondContact O-CB 3.4Å; D747-S751 PolarHBondContact O-N 3.07Å; S751-E905 WeakPolarHBondContact CB-OE2 3.48Å; S751-E905 VanDerWaalsContact OG-CB 3.32Å; S751-E905 WeakPolarHBondContact OG-CB 3.35Å; S751-E905 VanDerWaalsContact OG-CG 3.3Å; S751-E905 WeakPolarHBondContact OG-CG 3.24Å; S751-E905 PolarHBondContact OG-OE2 3.49Å |
| 752 | V | 81.7 | Confident | 71.3 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.4 | -179.4 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | P626 F630 L754 L757 F760 E905 T906 | P626-V752 HydrophobicContact CB-CG2 3.72Å; P626-V752 HydrophobicContact CG-CG2 4.41Å; F630-V752 HydrophobicContact CE2-CG1 4.2Å; F630-V752 HydrophobicContact CE2-CG2 3.74Å; F630-V752 HydrophobicContact CZ-CG2 4.41Å; V752-L754 PolarHBondContact O-N 3.4Å; V752-L757 HydrophobicContact CG1-CB 4.49Å; V752-F760 HydrophobicContact CG1-CD2 4.13Å; V752-F760 HydrophobicContact CG1-CE2 3.97Å; V752-E905 CarbonylContact O-C 3.53Å; V752-E905 WeakPolarHBondContact O-CA 3.46Å; V752-T906 HydrophobicContact CB-CG2 3.92Å; V752-T906 HydrophobicContact CG1-CG2 4.31Å; V752-T906 PolarHBondContact N-O 3.31Å; V752-T906 PolarHBondContact O-N 2.73Å |
| 753 | K | 78.5 | Confident | 72.7 | Confident | 58 Ų | 58 | 32.1 Ų | 32.1 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 127.9 | 171.3 | -64.6 | -176.9 | -175.5 | 179.1 | 0 | 108.7 | T755 D756 D899 W903 | K753-T755 PolarHBondContact O-N 3.18Å; K753-T755 VanDerWaalsContact O-N 3.11Å; K753-D756 HydrophobicContact CB-CB 4.39Å; K753-D756 WeakPolarHBondContact CB-OD2 3.39Å; K753-D756 PolarHBondContact O-N 2.77Å; K753-D899 IonicContact NZ-OD1 3.21Å; K753-D899 PolarHBondContact NZ-OD1 3.35Å; K753-D899 IonicContact NZ-OD2 2.7Å; K753-D899 PolarHBondContact NZ-OD2 3.44Å; K753-W903 HydrophobicContact CD-CG 4.45Å |
| 754 | L | 75 | Confident | 73.7 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37 | -174.3 | -176 | 64.9 | 0 | 0 | 0 | 112.5 | V752 D756 L807 A904 T906 P1062 | V752-L754 PolarHBondContact O-N 3.4Å; L754-D756 VanDerWaalsContact C-N 3.31Å; L754-D756 PolarHBondContact O-N 3Å; L754-L807 HydrophobicContact CD2-CD1 3.82Å; L754-L807 HydrophobicContact CG-CD1 4.44Å; L754-A904 HydrophobicContact CB-CB 4.36Å; L754-A904 VanDerWaalsContact CB-O 3.31Å; L754-A904 WeakPolarHBondContact CB-O 3.46Å; L754-A904 HydrophobicContact CD2-CB 4.29Å; L754-A904 PolarHBondContact N-O 3.23Å; L754-T906 HydrophobicContact CD1-CG2 4.24Å; L754-P1062 HydrophobicContact CD1-CB 3.71Å |
| 755 | T | 71.6 | Confident | 74.3 | Confident | 35 Ų | 35 | 29.5 Ų | 29.5 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.5 | 179.6 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | K753 Y1071 | K753-T755 PolarHBondContact O-N 3.18Å; K753-T755 VanDerWaalsContact O-N 3.11Å; T755-Y1071 HydrophobicContact CG2-CE1 4.5Å |
| 756 | D | 77.1 | Confident | 74.3 | Confident | 38 Ų | 38 | 29.9 Ų | 29.9 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -19.2 | -177.3 | -67.1 | -28 | 0 | 0 | 0 | 112.2 | K753 L754 K759 F760 | K753-D756 HydrophobicContact CB-CB 4.39Å; K753-D756 WeakPolarHBondContact CB-OD2 3.39Å; K753-D756 PolarHBondContact O-N 2.77Å; L754-D756 VanDerWaalsContact C-N 3.31Å; L754-D756 PolarHBondContact O-N 3Å; D756-K759 WeakPolarHBondContact O-CB 3.22Å; D756-K759 PolarHBondContact O-N 3.3Å; D756-K759 VanDerWaalsContact O-N 3.11Å; D756-K759 IonicContact OD1-NZ 2.7Å; D756-K759 PolarHBondContact OD1-NZ 3.2Å; D756-F760 HydrophobicContact CB-CD2 4.14Å; D756-F760 HydrophobicContact CB-CE2 3.58Å; D756-F760 HydrophobicContact CB-CZ 3.87Å; D756-F760 VanDerWaalsContact O-CD2 3.29Å; D756-F760 WeakPolarHBondContact O-CD2 3.45Å; D756-F760 WeakPolarHBondContact O-CG 3.49Å; D756-F760 PolarHBondContact O-N 3.39Å |
| 757 | L | 80.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | -179.8 | 177.5 | 70.5 | 0 | 0 | 0 | 113.3 | F630 V752 K759 F760 L761 T906 M914 P1062 | F630-L757 HydrophobicContact CD1-CD1 4.15Å; F630-L757 HydrophobicContact CD2-CD1 4.47Å; F630-L757 HydrophobicContact CE1-CD1 3.47Å; F630-L757 VanDerWaalsContact CE1-CD1 3.47Å; F630-L757 HydrophobicContact CE2-CD1 3.85Å; F630-L757 HydrophobicContact CZ-CD1 3.31Å; V752-L757 HydrophobicContact CG1-CB 4.49Å; L757-K759 PolarHBondContact O-N 3.45Å; L757-F760 PolarHBondContact O-N 3.09Å; L757-L761 HydrophobicContact CD1-CD1 4.02Å; L757-L761 HydrophobicContact CD1-CG 4.32Å; L757-L761 HydrophobicContact CG-CD1 4.29Å; L757-L761 PolarHBondContact O-N 3.43Å; L757-T906 HydrophobicContact CB-CG2 4.46Å; L757-T906 HydrophobicContact CD2-CG2 4.27Å; L757-M914 HydrophobicContact CD2-CE 3.96Å; L757-M914 HydrophobicContact CD2-SD 3.99Å; L757-M914 HydrophobicContact CG-SD 4.37Å; L757-P1062 HydrophobicContact CD2-CB 3.68Å; L757-P1062 HydrophobicContact CD2-CG 3.39Å |
| 758 | P | 80 | Confident | 72.6 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -29 | 177.7 | -24.9 | 37.3 | 0 | 0 | 0 | 113.2 | N762 I763 L764 Y1071 | P758-N762 PolarHBondContact O-N 3.4Å; P758-N762 VanDerWaalsContact O-N 3.13Å; P758-I763 PolarHBondContact O-N 3.31Å; P758-L764 HydrophobicContact CB-CD1 4.41Å; P758-L764 PolarHBondContact O-N 3.27Å; P758-Y1071 HydrophobicContact CG-CD1 4.08Å |
| 759 | K | 79 | Confident | 71.4 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69 | -46.5 | 174.7 | -55.6 | 178.2 | -168.9 | 156.7 | 0 | 110.6 | D756 L757 L761 N762 L764 | D756-K759 WeakPolarHBondContact O-CB 3.22Å; D756-K759 PolarHBondContact O-N 3.3Å; D756-K759 VanDerWaalsContact O-N 3.11Å; D756-K759 IonicContact OD1-NZ 2.7Å; D756-K759 PolarHBondContact OD1-NZ 3.2Å; L757-K759 PolarHBondContact O-N 3.45Å; K759-L761 VanDerWaalsContact C-N 3.35Å; K759-L761 PolarHBondContact O-N 3.07Å; K759-N762 PolarHBondContact O-N 3.43Å; K759-N762 VanDerWaalsContact O-N 3.09Å; K759-L764 HydrophobicContact CG-CD1 4.22Å; K759-L764 HydrophobicContact CG-CD2 4.29Å |
| 760 | F | 80.8 | Confident | 69.5 | Low | 60 Ų | 60 | 50 Ų | 50 | 26% | 0.263 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | -179.4 | -65.1 | -38.2 | 0 | 0 | 0 | 112.7 | S627 F630 V752 D756 L757 N762 | S627-F760 VanDerWaalsContact CB-CE1 3.43Å; F630-F760 HydrophobicContact CB-CB 3.54Å; F630-F760 HydrophobicContact CB-CG 4.34Å; F630-F760 HydrophobicContact CD2-CB 3.94Å; F630-F760 AromaticContact CD2-CD2 3.79Å; F630-F760 HydrophobicContact CD2-CD2 3.79Å; F630-F760 HydrophobicContact CD2-CG 4.17Å; F630-F760 HydrophobicContact CE2-CD2 4.37Å; F630-F760 HydrophobicContact CG-CB 3.85Å; V752-F760 HydrophobicContact CG1-CD2 4.13Å; V752-F760 HydrophobicContact CG1-CE2 3.97Å; D756-F760 HydrophobicContact CB-CD2 4.14Å; D756-F760 HydrophobicContact CB-CE2 3.58Å; D756-F760 HydrophobicContact CB-CZ 3.87Å; D756-F760 VanDerWaalsContact O-CD2 3.29Å; D756-F760 WeakPolarHBondContact O-CD2 3.45Å; D756-F760 WeakPolarHBondContact O-CG 3.49Å; D756-F760 PolarHBondContact O-N 3.39Å; L757-F760 PolarHBondContact O-N 3.09Å; F760-N762 VanDerWaalsContact C-N 3.27Å; F760-N762 PolarHBondContact O-N 3.42Å |
| 761 | L | 78.5 | Confident | 67.3 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5 | 174.9 | -68.7 | 175.6 | 0 | 0 | 0 | 114 | F630 I633 L637 L757 K759 I763 M914 A915 T969 | F630-L761 HydrophobicContact CD1-CD2 3.74Å; F630-L761 HydrophobicContact CD1-CG 4.12Å; F630-L761 HydrophobicContact CE1-CD2 4.38Å; I633-L761 HydrophobicContact CB-CD2 4.43Å; I633-L761 HydrophobicContact CG2-CD2 3.71Å; L637-L761 HydrophobicContact CD1-CD2 4.46Å; L757-L761 HydrophobicContact CD1-CD1 4.02Å; L757-L761 HydrophobicContact CD1-CG 4.32Å; L757-L761 HydrophobicContact CG-CD1 4.29Å; L757-L761 PolarHBondContact O-N 3.43Å; K759-L761 VanDerWaalsContact C-N 3.35Å; K759-L761 PolarHBondContact O-N 3.07Å; L761-I763 VanDerWaalsContact C-N 3.33Å; L761-I763 HydrophobicContact CB-CD1 3.45Å; L761-I763 VanDerWaalsContact CB-CD1 3.45Å; L761-I763 HydrophobicContact CB-CG1 3.88Å; L761-I763 HydrophobicContact CD1-CD1 3.79Å; L761-I763 HydrophobicContact CG-CD1 4.27Å; L761-I763 PolarHBondContact O-N 2.98Å; L761-M914 HydrophobicContact CD1-CB 4.33Å; L761-M914 HydrophobicContact CD1-CG 4.02Å; L761-M914 HydrophobicContact CD1-SD 3.78Å; L761-A915 HydrophobicContact CD2-CB 4.34Å; L761-T969 WeakPolarHBondContact O-CG2 3.42Å |
| 762 | N | 79 | Confident | 65.1 | Low | 46 Ų | 46 | 59.9 Ų | 59.9 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 40.6 | -176.9 | -162.9 | 54 | 0 | 0 | 0 | 113.9 | K634 H667 Y668 P758 K759 F760 | K634-N762 HydrophobicContact CD-CB 3.98Å; K634-N762 VanDerWaalsContact CE-CB 3.44Å; H667-N762 PolarHBondContact CE1-ND2 3.02Å; Y668-N762 PolarHBondContact OH-ND2 3.24Å; P758-N762 PolarHBondContact O-N 3.4Å; P758-N762 VanDerWaalsContact O-N 3.13Å; K759-N762 PolarHBondContact O-N 3.43Å; K759-N762 VanDerWaalsContact O-N 3.09Å; F760-N762 VanDerWaalsContact C-N 3.27Å; F760-N762 PolarHBondContact O-N 3.42Å |
| 763 | I | 76.9 | Confident | 62.9 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | trans | -103.2 | -7.2 | 177.2 | -60.4 | 162 | 0 | 0 | 0 | 110.8 | P758 L761 L765 M914 L918 P972 W1064 | P758-I763 PolarHBondContact O-N 3.31Å; L761-I763 VanDerWaalsContact C-N 3.33Å; L761-I763 HydrophobicContact CB-CD1 3.45Å; L761-I763 VanDerWaalsContact CB-CD1 3.45Å; L761-I763 HydrophobicContact CB-CG1 3.88Å; L761-I763 HydrophobicContact CD1-CD1 3.79Å; L761-I763 HydrophobicContact CG-CD1 4.27Å; L761-I763 PolarHBondContact O-N 2.98Å; I763-L765 WeakPolarHBondContact O-CG 3.5Å; I763-L765 PolarHBondContact O-N 3Å; I763-L765 VanDerWaalsContact O-N 3.14Å; I763-M914 HydrophobicContact CD1-SD 4.21Å; I763-L918 HydrophobicContact CD1-CD1 3.44Å; I763-L918 VanDerWaalsContact CD1-CD1 3.44Å; I763-L918 HydrophobicContact CD1-CG 4.37Å; I763-L918 HydrophobicContact CG1-CD1 3.99Å; I763-P972 HydrophobicContact CB-CG 4.37Å; I763-P972 HydrophobicContact CG1-CG 4.3Å; I763-P972 HydrophobicContact CG2-CB 3.82Å; I763-P972 HydrophobicContact CG2-CG 3.51Å; I763-W1064 HydrophobicContact CG2-CB 4.48Å | ||
| 764 | L | 72.1 | Confident | 60.8 | Low | 41 Ų | 41 | 70.1 Ų | 70.1 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | trans | -59.2 | 117.9 | 179.9 | -164.5 | 84.1 | 0 | 0 | 0 | 110.9 | P758 K759 M766 T768 P1070 Y1071 | P758-L764 HydrophobicContact CB-CD1 4.41Å; P758-L764 PolarHBondContact O-N 3.27Å; K759-L764 HydrophobicContact CG-CD1 4.22Å; K759-L764 HydrophobicContact CG-CD2 4.29Å; L764-M766 VanDerWaalsContact C-N 3.35Å; L764-M766 PolarHBondContact O-N 3.03Å; L764-T768 HydrophobicContact CD2-CG2 4.09Å; L764-P1070 HydrophobicContact CD1-CB 4.02Å; L764-P1070 HydrophobicContact CD1-CG 4.27Å; L764-P1070 WeakPolarHBondContact CD1-O 3.44Å; L764-P1070 HydrophobicContact CG-CB 4.26Å; L764-Y1071 HydrophobicContact CD1-CD1 3.97Å; L764-Y1071 HydrophobicContact CD1-CE1 4.1Å | ||
| 765 | L | 68.1 | Low | 58.9 | Low | 9 Ų | 9 | 76.3 Ų | 76.3 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -83.5 | -7.2 | -168.7 | -66.9 | 172.8 | 0 | 0 | 0 | 114.4 | I763 P972 K976 E1069 P1070 G1072 L1073 I1076 | I763-L765 WeakPolarHBondContact O-CG 3.5Å; I763-L765 PolarHBondContact O-N 3Å; I763-L765 VanDerWaalsContact O-N 3.14Å; L765-P972 HydrophobicContact CD2-CB 3.94Å; L765-K976 HydrophobicContact CB-CD 4.04Å; L765-K976 HydrophobicContact CD1-CD 4.32Å; L765-K976 HydrophobicContact CD2-CB 4.42Å; L765-K976 HydrophobicContact CD2-CD 4.01Å; L765-K976 HydrophobicContact CG-CD 4.36Å; L765-K976 PolarHBondContact O-NZ 2.91Å; L765-E1069 HydrophobicContact CB-CG 4.33Å; L765-E1069 HydrophobicContact CD1-CG 3.95Å; L765-P1070 PolarHBondContact N-O 2.71Å; L765-G1072 VanDerWaalsContact CD1-O 3.25Å; L765-G1072 WeakPolarHBondContact CD1-O 3.48Å; L765-L1073 HydrophobicContact CD1-CD2 3.38Å; L765-L1073 HydrophobicContact CD1-CG 4.13Å; L765-I1076 HydrophobicContact CD1-CD1 4.09Å |
| 766 | M | 60.4 | Low | 57.3 | Low | 97 Ų | 97 | 81.7 Ų | 81.7 | 48% | 0.478 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -111.4 | 129.6 | 175.1 | -73.3 | -66.7 | 175.6 | 0 | 0 | 111 | L764 T768 P1070 | L764-M766 VanDerWaalsContact C-N 3.35Å; L764-M766 PolarHBondContact O-N 3.03Å; M766-T768 PolarHBondContact O-N 2.81Å; M766-P1070 HydrophobicContact CB-CB 3.83Å; M766-P1070 HydrophobicContact CG-CB 3.87Å |
| 767 | P | 50.6 | Low | 55.2 | Low | 102 Ų | 102 | 85.3 Ų | 85.3 | 66% | 0.662 | 47% | 0.466 | S | S | * | . | trans | -68.9 | 128.1 | 174.1 | 26.4 | -30.4 | 0 | 0 | 0 | 110 | K769 | P767-K769 HydrophobicContact CB-CG 4.45Å; P767-K769 PolarHBondContact O-N 2.9Å | ||
| 768 | T | 40.6 | Very low | 52.8 | Low | 121 Ų | 121 | 91.3 Ų | 91.3 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | trans | -71.1 | 24.1 | 174.9 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | L764 M766 L770 | L764-T768 HydrophobicContact CD2-CG2 4.09Å; M766-T768 PolarHBondContact O-N 2.81Å; T768-L770 PolarHBondContact O-N 3.31Å | ||
| 769 | K | 38.8 | Very low | 50.7 | Low | 171 Ų | 171 | 96.4 Ų | 96.4 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | trans | -69.8 | 92.7 | -179.7 | -74.6 | -172.4 | 178.4 | -179.1 | 0 | 109.6 | P767 S771 | P767-K769 HydrophobicContact CB-CG 4.45Å; P767-K769 PolarHBondContact O-N 2.9Å; K769-S771 PolarHBondContact O-N 3.04Å | ||
| 770 | L | 32.7 | Very low | 48.3 | Very low | 142 Ų | 142 | 98 Ų | 98 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | trans | -58.8 | 101.2 | 160 | -132.1 | 87.4 | 0 | 0 | 0 | 106.9 | T768 N772 | T768-L770 PolarHBondContact O-N 3.31Å; L770-N772 PolarHBondContact O-N 3.45Å | ||
| 771 | S | 30.4 | Very low | 45.9 | Very low | 90 Ų | 90 | 100 Ų | 100 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | trans | -66.9 | 104 | 170.2 | 65.6 | 0 | 0 | 0 | 0 | 107.8 | K769 N773 | K769-S771 PolarHBondContact O-N 3.04Å; S771-N773 PolarHBondContact O-N 3.47Å | ||
| 772 | N | 35.2 | Very low | 43.6 | Very low | 137 Ų | 137 | 107.5 Ų | 107.5 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | trans | -64.3 | 87.6 | 165 | -92.6 | -6.9 | 0 | 0 | 0 | 108.1 | L770 D774 | L770-N772 PolarHBondContact O-N 3.45Å; N772-D774 PolarHBondContact O-N 3.27Å | ||
| 773 | N | 34.8 | Very low | 41.4 | Very low | 142 Ų | 142 | 111 Ų | 111 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | -73.8 | 68.7 | 170.9 | -89 | -9.3 | 0 | 0 | 0 | 109.9 | S771 | S771-N773 PolarHBondContact O-N 3.47Š| ||
| 774 | D | 35.3 | Very low | 39 | Very low | 138 Ų | 138 | 115.4 Ų | 115.4 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -108.1 | 76 | 165 | -83.5 | -24 | 0 | 0 | 0 | 108 | N772 | N772-D774 PolarHBondContact O-N 3.27Š| ||
| 775 | N | 35.3 | Very low | 36.9 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | trans | -159 | 66.6 | 165.5 | -86.6 | -30.9 | 0 | 0 | 0 | 110.2 | ||||
| 776 | T | 37.9 | Very low | 35.2 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | trans | -113 | 79.3 | 159.2 | 44.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 777 | T | 31.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | trans | -81 | 122.8 | 169.5 | 36.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 778 | T | 31 | Very low | 32.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 68.7 | 103.6 | 144.2 | 60.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 779 | S | 35.7 | Very low | 32.1 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | -171.8 | 105 | 119.5 | 27.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 780 | S | 28.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 22.7 | 119.1 | 141.4 | 58.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 781 | S | 30.1 | Very low | 31.5 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | 160.6 | 133.3 | 88.2 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 782 | N | 29.2 | Very low | 31.4 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 55.9 | 100.6 | 148.9 | -57.1 | -14.7 | 0 | 0 | 0 | 119.9 | ||||
| 783 | S | 32.9 | Very low | 31 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -171.8 | 143.4 | 105.6 | 58.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 784 | S | 26.9 | Very low | 30.8 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -42 | 144.5 | -178.9 | 43.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 785 | H | 28.7 | Very low | 30.5 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | 67.7 | 91.4 | 139.7 | -70.5 | -61 | 0 | 0 | 0 | 120 | ||||
| 786 | L | 32.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 97% | 0.969 | 80% | 0.795 | S | S | * | * | trans | -144.5 | 124.9 | 135.3 | -98.7 | 123.6 | 0 | 0 | 0 | 111.1 | ||||
| 787 | K | 28.6 | Very low | 29.9 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -75.1 | 132.2 | -174.7 | -75 | 170.7 | 173.7 | 172 | 0 | 111.2 | ||||
| 788 | K | 27.6 | Very low | 29.9 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | trans | 37.5 | 88.8 | 144 | -66 | -179 | 177.1 | -179.8 | 0 | 117.3 | ||||
| 789 | T | 30.5 | Very low | 29.9 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -121.7 | 110 | 143.8 | 43.5 | 0 | 0 | 0 | 0 | 108.5 | S791 | T789-S791 VanDerWaalsContact C-N 3.25Å; T789-S791 PolarHBondContact O-N 2.97Å; T789-S791 VanDerWaalsContact O-N 3.16Å | ||
| 790 | R | 26.6 | Very low | 29.9 | Very low | 258 Ų | 258 | 144.5 Ų | 144.5 | 97% | 0.974 | 75% | 0.754 | S | S | * | * | trans | -85.6 | 68.6 | 178.1 | -163.5 | -177.6 | -168.9 | 178.7 | 1.8 | 107.4 | ||||
| 791 | S | 30.8 | Very low | 29.9 | Very low | 92 Ų | 92 | 146.2 Ų | 146.2 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -100.4 | 105.8 | 166.9 | 54.5 | 0 | 0 | 0 | 0 | 107.3 | T789 K793 | T789-S791 VanDerWaalsContact C-N 3.25Å; T789-S791 PolarHBondContact O-N 2.97Å; T789-S791 VanDerWaalsContact O-N 3.16Å; S791-K793 PolarHBondContact O-N 3.04Å; S791-K793 VanDerWaalsContact O-N 3.12Å | ||
| 792 | Q | 29.9 | Very low | 29.9 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -47.6 | 117.9 | 170.9 | -77 | 160.3 | -55.6 | 0 | 0 | 108.8 | H794 | Q792-H794 PolarHBondContact O-N 3.46Š| ||
| 793 | K | 26.8 | Very low | 30.1 | Very low | 201 Ų | 201 | 148 Ų | 148 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -65.5 | 80.1 | 170.5 | -72.4 | 176.9 | 174.1 | 179.9 | 0 | 108.3 | S791 V795 | S791-K793 PolarHBondContact O-N 3.04Å; S791-K793 VanDerWaalsContact O-N 3.12Å; K793-V795 PolarHBondContact O-N 2.94Å | ||
| 794 | H | 29.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -68.7 | 94.4 | 151 | -80 | -76.3 | 0 | 0 | 0 | 105.7 | Q792 K796 | Q792-H794 PolarHBondContact O-N 3.46Å; H794-K796 PolarHBondContact O-N 3.05Å; H794-K796 VanDerWaalsContact O-N 3.09Å | ||
| 795 | V | 29.1 | Very low | 30.8 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -51.5 | 117.8 | 169.2 | 173.4 | 0 | 0 | 0 | 0 | 106.5 | K793 I797 | K793-V795 PolarHBondContact O-N 2.94Å; V795-I797 PolarHBondContact O-N 3.02Å | ||
| 796 | K | 29.7 | Very low | 31.4 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | -60.5 | 92 | -171.2 | -71.9 | 177.7 | 175.2 | -177.8 | 0 | 110.9 | H794 S798 H799 | H794-K796 PolarHBondContact O-N 3.05Å; H794-K796 VanDerWaalsContact O-N 3.09Å; K796-S798 PolarHBondContact O-N 2.99Å; K796-S798 VanDerWaalsContact O-N 3.1Å; K796-H799 PolarHBondContact O-N 2.85Å | ||
| 797 | I | 31.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -20.5 | 167.8 | -70.2 | 163.2 | 0 | 0 | 0 | 111.3 | V795 H799 Y801 | V795-I797 PolarHBondContact O-N 3.02Å; I797-H799 VanDerWaalsContact C-N 3.27Å; I797-H799 PolarHBondContact O-N 3.27Å; I797-Y801 HydrophobicContact CG2-CD2 3.98Å; I797-Y801 HydrophobicContact CG2-CE2 3.77Å; I797-Y801 WeakPolarHBondContact O-CD2 3.26Å |
| 798 | S | 31.8 | Very low | 32.5 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.6 | -24.9 | 178.4 | 66.2 | 0 | 0 | 0 | 0 | 114.9 | K796 H802 | K796-S798 PolarHBondContact O-N 2.99Å; K796-S798 VanDerWaalsContact O-N 3.1Å; S798-H802 PolarHBondContact O-N 3.19Å |
| 799 | H | 30.5 | Very low | 33 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.8 | -32.9 | -176.9 | -83.5 | -74.9 | 0 | 0 | 0 | 113.5 | K796 I797 H802 | K796-H799 PolarHBondContact O-N 2.85Å; I797-H799 VanDerWaalsContact C-N 3.27Å; I797-H799 PolarHBondContact O-N 3.27Å; H799-H802 PolarHBondContact O-N 3.35Å |
| 800 | V | 34.9 | Very low | 33.2 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 60% | 0.6 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.3 | -31.3 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | V804 | V800-V804 WeakPolarHBondContact O-CG2 3.49Å |
| 801 | Y | 30 | Very low | 33.7 | Very low | 145 Ų | 145 | 109.6 Ų | 109.6 | 57% | 0.569 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -76.7 | -20.6 | 174.7 | -75.8 | -79.9 | 0 | 0 | 0 | 113.6 | I797 E803 V804 | I797-Y801 HydrophobicContact CG2-CD2 3.98Å; I797-Y801 HydrophobicContact CG2-CE2 3.77Å; I797-Y801 WeakPolarHBondContact O-CD2 3.26Å; Y801-E803 VanDerWaalsContact C-N 3.26Å; Y801-E803 PolarHBondContact O-N 3.46Å; Y801-V804 HydrophobicContact CD1-CG2 4.15Å; Y801-V804 VanDerWaalsContact O-CB 3.29Å; Y801-V804 WeakPolarHBondContact O-CB 3.41Å; Y801-V804 PolarHBondContact O-N 3.19Å; Y801-V804 VanDerWaalsContact O-N 3.16Å |
| 802 | H | 30.1 | Very low | 34 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.3 | -21.2 | 176.4 | -133.3 | -65 | 0 | 0 | 0 | 112.8 | S798 H799 | S798-H802 PolarHBondContact O-N 3.19Å; H799-H802 PolarHBondContact O-N 3.35Å |
| 803 | E | 33.4 | Very low | 34.1 | Very low | 166 Ų | 166 | 103.8 Ų | 103.8 | 78% | 0.776 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.1 | 169.7 | -74.6 | -178.3 | 160.2 | 0 | 0 | 113.2 | Y801 R805 | Y801-E803 VanDerWaalsContact C-N 3.26Å; Y801-E803 PolarHBondContact O-N 3.46Å; E803-R805 PolarHBondContact O-N 2.76Å |
| 804 | V | 35.8 | Very low | 34.3 | Very low | 47 Ų | 47 | 96.5 Ų | 96.5 | 29% | 0.285 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 6.1 | -178.7 | 167.6 | 0 | 0 | 0 | 0 | 113.1 | V800 Y801 S806 Y1071 | V800-V804 WeakPolarHBondContact O-CG2 3.49Å; Y801-V804 HydrophobicContact CD1-CG2 4.15Å; Y801-V804 VanDerWaalsContact O-CB 3.29Å; Y801-V804 WeakPolarHBondContact O-CB 3.41Å; Y801-V804 PolarHBondContact O-N 3.19Å; Y801-V804 VanDerWaalsContact O-N 3.16Å; V804-S806 PolarHBondContact O-N 3.34Å; V804-S806 VanDerWaalsContact O-N 3.14Å; V804-Y1071 HydrophobicContact CG1-CE2 4.38Å; V804-Y1071 WeakPolarHBondContact CG1-OH 3.25Å |
| 805 | R | 37.8 | Very low | 34.4 | Very low | 82 Ų | 82 | 92.9 Ų | 92.9 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -4 | -177 | -130 | 178.8 | -149.4 | 170.9 | 10.4 | 115.8 | E803 L807 E810 D886 | E803-R805 PolarHBondContact O-N 2.76Å; R805-L807 PolarHBondContact O-N 2.96Å; R805-E810 VanDerWaalsContact CD-OE1 3.28Å; R805-E810 WeakPolarHBondContact CD-OE1 3.1Å; R805-D886 VanDerWaalsContact CZ-CG 3.5Å; R805-D886 IonicContact CZ-OD1 3.5Å; R805-D886 IonicContact CZ-OD2 3.56Å; R805-D886 IonicContact NH1-OD1 3.24Å; R805-D886 IonicContact NH1-OD2 3.25Å; R805-D886 IonicContact NH2-OD1 3.38Å; R805-D886 PolarHBondContact NH2-OD1 3.36Å; R805-D886 IonicContact NH2-OD2 3.37Å; R805-D886 PolarHBondContact NH2-OD2 3.47Å |
| 806 | S | 40.6 | Very low | 34.6 | Very low | 39 Ų | 39 | 93.2 Ų | 93.2 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | trans | -100.9 | 55.9 | -167.9 | -166.6 | 0 | 0 | 0 | 0 | 114.4 | V804 | V804-S806 PolarHBondContact O-N 3.34Å; V804-S806 VanDerWaalsContact O-N 3.14Å | ||
| 807 | L | 41.5 | Very low | 34.8 | Very low | 38 Ų | 38 | 91.1 Ų | 91.1 | 20% | 0.199 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -72.1 | -19.9 | 159.7 | -86.3 | 165.2 | 0 | 0 | 0 | 111.3 | L754 R805 D1067 Y1071 | L754-L807 HydrophobicContact CD2-CD1 3.82Å; L754-L807 HydrophobicContact CG-CD1 4.44Å; R805-L807 PolarHBondContact O-N 2.96Å; L807-D1067 HydrophobicContact CD2-CB 4.19Å; L807-Y1071 HydrophobicContact CD2-CD2 4.26Å; L807-Y1071 HydrophobicContact CD2-CG 4.43Å |
| 808 | M | 42.7 | Very low | 34.8 | Very low | 40 Ų | 40 | 93 Ų | 93 | 20% | 0.197 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -147.1 | 78.7 | -172.2 | -47.2 | -164.9 | 85.9 | 0 | 0 | 110 | E810 L1191 W1194 | M808-E810 PolarHBondContact O-N 3.12Å; M808-L1191 HydrophobicContact CE-CB 4.42Å; M808-L1191 HydrophobicContact CE-CD1 3.23Å; M808-L1191 HydrophobicContact CE-CG 4.38Å; M808-L1191 HydrophobicContact SD-CB 4.48Å; M808-L1191 HydrophobicContact SD-CD1 4.1Å; M808-W1194 HydrophobicContact CB-CG 4.2Å; M808-W1194 HydrophobicContact CE-CB 3.59Å; M808-W1194 HydrophobicContact CE-CD2 3.11Å; M808-W1194 HydrophobicContact CE-CE3 3.19Å; M808-W1194 HydrophobicContact CE-CG 3.3Å; M808-W1194 HydrophobicContact CE-CH2 4.44Å; M808-W1194 HydrophobicContact CE-CZ2 4.4Å; M808-W1194 HydrophobicContact CE-CZ3 3.88Å; M808-W1194 HydrophobicContact SD-CB 4.41Å; M808-W1194 HydrophobicContact SD-CG 4.48Å |
| 809 | N | 39.3 | Very low | 35.2 | Very low | 73 Ų | 73 | 93.2 Ų | 93.2 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | trans | 27.3 | 80.1 | 164 | -147 | 0.2 | 0 | 0 | 0 | 117.6 | Q811 | N809-Q811 VanDerWaalsContact C-N 3.31Å; N809-Q811 PolarHBondContact O-N 3.29Å | ||
| 810 | E | 34.6 | Very low | 35.4 | Very low | 69 Ų | 69 | 96 Ų | 96 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.8 | 178.6 | -117.3 | -161.6 | 178 | 0 | 0 | 114.3 | R805 M808 A812 F813 T814 | R805-E810 VanDerWaalsContact CD-OE1 3.28Å; R805-E810 WeakPolarHBondContact CD-OE1 3.1Å; M808-E810 PolarHBondContact O-N 3.12Å; E810-A812 PolarHBondContact O-N 2.95Å; E810-F813 HydrophobicContact CG-CB 4.13Å; E810-F813 WeakPolarHBondContact O-CA 3.1Å; E810-F813 WeakPolarHBondContact O-CB 3.33Å; E810-F813 PolarHBondContact O-N 2.95Å; E810-T814 PolarHBondContact O-N 3.42Å; E810-T814 PolarHBondContact O-OG1 2.88Å |
| 811 | Q | 36.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 97.1 Ų | 97.1 | 74% | 0.738 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.9 | -22.6 | -178.6 | -72 | -167.7 | -9.1 | 0 | 0 | 112.7 | N809 T815 | N809-Q811 VanDerWaalsContact C-N 3.31Å; N809-Q811 PolarHBondContact O-N 3.29Å; Q811-T815 PolarHBondContact O-OG1 3.08Å |
| 812 | A | 36.9 | Very low | 35.7 | Very low | 67 Ų | 67 | 98 Ų | 98 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -78.8 | -24.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E810 T815 | E810-A812 PolarHBondContact O-N 2.95Å; A812-T815 PolarHBondContact O-OG1 3.1Å |
| 813 | F | 32.7 | Very low | 36.4 | Very low | 71 Ų | 71 | 98.6 Ų | 98.6 | 31% | 0.311 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.9 | -37 | -178.6 | -82.6 | -85.1 | 0 | 0 | 0 | 113.1 | E810 H1193 | E810-F813 HydrophobicContact CG-CB 4.13Å; E810-F813 WeakPolarHBondContact O-CA 3.1Å; E810-F813 WeakPolarHBondContact O-CB 3.33Å; E810-F813 PolarHBondContact O-N 2.95Å; F813-H1193 AromaticContact CZ-CD2 3.67Å |
| 814 | T | 30.3 | Very low | 36.8 | Very low | 49 Ų | 49 | 97.5 Ų | 97.5 | 30% | 0.301 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -86.5 | -20.4 | -173.2 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | E810 N816 I817 K818 | E810-T814 PolarHBondContact O-N 3.42Å; E810-T814 PolarHBondContact O-OG1 2.88Å; T814-N816 VanDerWaalsContact C-N 3.28Å; T814-N816 PolarHBondContact O-N 2.95Å; T814-I817 PolarHBondContact O-N 3.35Å; T814-I817 VanDerWaalsContact O-N 3.13Å; T814-K818 PolarHBondContact O-N 3.39Å |
| 815 | T | 31.9 | Very low | 36.9 | Very low | 87 Ų | 87 | 102.5 Ų | 102.5 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 174.1 | 44 | 0 | 0 | 0 | 0 | 111.6 | Q811 A812 I817 A819 | Q811-T815 PolarHBondContact O-OG1 3.08Å; A812-T815 PolarHBondContact O-OG1 3.1Å; T815-I817 VanDerWaalsContact C-N 3.31Å; T815-I817 PolarHBondContact O-N 3.3Å; T815-A819 PolarHBondContact O-N 3.23Å |
| 816 | N | 34.2 | Very low | 36.9 | Very low | 132 Ų | 132 | 106.1 Ų | 106.1 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.3 | -23.2 | 174 | -78.9 | -17.3 | 0 | 0 | 0 | 113.8 | T814 | T814-N816 VanDerWaalsContact C-N 3.28Å; T814-N816 PolarHBondContact O-N 2.95Å |
| 817 | I | 32.2 | Very low | 36.9 | Very low | 103 Ų | 103 | 111.5 Ų | 111.5 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -89.4 | -39 | 178.8 | -60 | 174.8 | 0 | 0 | 0 | 111.3 | T814 T815 A819 Y820 N821 | T814-I817 PolarHBondContact O-N 3.35Å; T814-I817 VanDerWaalsContact O-N 3.13Å; T815-I817 VanDerWaalsContact C-N 3.31Å; T815-I817 PolarHBondContact O-N 3.3Å; I817-A819 VanDerWaalsContact C-N 3.35Å; I817-A819 PolarHBondContact O-N 3.19Å; I817-Y820 VanDerWaalsContact O-CB 3.3Å; I817-Y820 WeakPolarHBondContact O-CB 3.45Å; I817-Y820 PolarHBondContact O-N 3.5Å; I817-N821 PolarHBondContact O-N 2.85Å |
| 818 | K | 32.3 | Very low | 36.8 | Very low | 159 Ų | 159 | 116.8 Ų | 116.8 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.3 | -31.7 | 178.9 | -77 | -174.2 | 178.3 | 178.3 | 0 | 113.1 | T814 Y820 N821 | T814-K818 PolarHBondContact O-N 3.39Å; K818-Y820 PolarHBondContact O-N 3.41Å; K818-N821 PolarHBondContact O-N 2.89Å |
| 819 | A | 40.6 | Very low | 36.6 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.2 | -20.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T815 I817 | T815-A819 PolarHBondContact O-N 3.23Å; I817-A819 VanDerWaalsContact C-N 3.35Å; I817-A819 PolarHBondContact O-N 3.19Å |
| 820 | Y | 35 | Very low | 36.4 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 72% | 0.722 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -91.5 | -23.1 | -177.2 | -147.1 | -91.6 | 0 | 0 | 0 | 114.1 | I817 K818 | I817-Y820 VanDerWaalsContact O-CB 3.3Å; I817-Y820 WeakPolarHBondContact O-CB 3.45Å; I817-Y820 PolarHBondContact O-N 3.5Å; K818-Y820 PolarHBondContact O-N 3.41Å |
| 821 | N | 36.7 | Very low | 36.4 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 65% | 0.652 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -102.8 | -4 | -174.6 | -77.4 | -15.4 | 0 | 0 | 0 | 114.4 | I817 K818 D823 | I817-N821 PolarHBondContact O-N 2.85Å; K818-N821 PolarHBondContact O-N 2.89Å; N821-D823 VanDerWaalsContact C-N 3.31Å; N821-D823 PolarHBondContact O-N 3.47Å |
| 822 | H | 35.4 | Very low | 36.6 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -1 | -177.1 | -141 | -39.4 | 0 | 0 | 0 | 114.9 | ||
| 823 | D | 44.1 | Very low | 36.6 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 8.3 | -174.7 | -77.7 | -15 | 0 | 0 | 0 | 115.6 | N821 | N821-D823 VanDerWaalsContact C-N 3.31Å; N821-D823 PolarHBondContact O-N 3.47Å |
| 824 | N | 42.3 | Very low | 36.6 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -123.2 | 6.1 | -173.7 | -81.9 | -34.6 | 0 | 0 | 0 | 117.8 | ||
| 825 | D | 37.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -134 | 84.9 | 171.4 | -87.3 | -37.8 | 0 | 0 | 0 | 109 | ||
| 826 | D | 38.7 | Very low | 36.9 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -166.9 | 143.3 | 142.2 | -91.3 | -29.5 | 0 | 0 | 0 | 111.2 | ||||
| 827 | D | 40.1 | Very low | 36.8 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 79 | 66.9 | 167 | -66.1 | -18.5 | 0 | 0 | 0 | 119.6 | ||||
| 828 | I | 39.5 | Very low | 36.9 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -55.4 | 129.1 | 139.4 | -57.3 | 171.7 | 0 | 0 | 0 | 108.8 | ||||
| 829 | H | 38.2 | Very low | 36.8 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 99.7 | 85.3 | 170.6 | -56.5 | -65.2 | 0 | 0 | 0 | 117 | ||||
| 830 | R | 34.4 | Very low | 36.3 | Very low | 255 Ų | 255 | 155.4 Ų | 155.4 | 96% | 0.962 | 78% | 0.781 | S | S | * | * | trans | -154.6 | 138.3 | 131.8 | -110.7 | 163.2 | -161.4 | -168.3 | 6.4 | 112.8 | ||||
| 831 | H | 34.7 | Very low | 36.2 | Very low | 181 Ų | 181 | 152.2 Ų | 152.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -63.3 | 153.3 | -169.3 | -100.9 | -86.9 | 0 | 0 | 0 | 114.2 | ||||
| 832 | P | 42.1 | Very low | 35.8 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -85 | 129.6 | -174.3 | 34.6 | -28.9 | 0 | 0 | 0 | 110.3 | ||||
| 833 | H | 35.9 | Very low | 35.6 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -139.3 | 130.2 | 157.5 | -90.5 | -64.2 | 0 | 0 | 0 | 109.5 | ||||
| 834 | D | 33 | Very low | 35 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -37.3 | 130 | 175.1 | -55.8 | -61.4 | 0 | 0 | 0 | 114.1 | ||||
| 835 | D | 34.4 | Very low | 34.3 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | -170.7 | 139.2 | 112.3 | -102.5 | -28.3 | 0 | 0 | 0 | 111.4 | S837 | D835-S837 PolarHBondContact O-N 2.97Š| |||
| 836 | N | 33.4 | Very low | 33.9 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 115.9 | -170 | -64.8 | -61.4 | 0 | 0 | 0 | 112.4 | ||||
| 837 | S | 33.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -135 | 113 | 151.6 | 62.6 | 0 | 0 | 0 | 0 | 109.1 | D835 D839 | D835-S837 PolarHBondContact O-N 2.97Å; S837-D839 PolarHBondContact O-N 2.94Å | ||
| 838 | I | 33.4 | Very low | 33.2 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 94.6 | -175.9 | -63.5 | 162.1 | 0 | 0 | 0 | 108.2 | H840 | I838-H840 PolarHBondContact O-N 2.9Š| ||
| 839 | D | 31 | Very low | 32.7 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -82.4 | 103.3 | 170.3 | -86.1 | -28.2 | 0 | 0 | 0 | 110.2 | S837 V841 | S837-D839 PolarHBondContact O-N 2.94Å; D839-V841 VanDerWaalsContact C-N 3.27Å; D839-V841 PolarHBondContact O-N 2.9Å | ||
| 840 | H | 29.7 | Very low | 32.2 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -82.6 | 31.3 | -179 | -105.6 | -38.3 | 0 | 0 | 0 | 114.5 | I838 | I838-H840 PolarHBondContact O-N 2.9Š| ||
| 841 | V | 32.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | trans | -94 | -8.6 | -170.9 | -178.5 | 0 | 0 | 0 | 0 | 114.9 | D839 | D839-V841 VanDerWaalsContact C-N 3.27Å; D839-V841 PolarHBondContact O-N 2.9Å | ||
| 842 | H | 28.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 135 Ų | 135 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -99.2 | 10.8 | -170.2 | -84.9 | -68.8 | 0 | 0 | 0 | 118.7 | ||
| 843 | T | 32 | Very low | 32.2 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -111.4 | -12.2 | -176.7 | -36 | 0 | 0 | 0 | 0 | 115.9 | ||
| 844 | V | 30.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 75% | 0.745 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -91.9 | -10.1 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 845 | M | 28.9 | Very low | 33 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 88% | 0.882 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -99.2 | -6.3 | 178.1 | -78.9 | -154.6 | -150.6 | 0 | 0 | 116.4 | ||
| 846 | N | 28 | Very low | 33.5 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -9 | -178.3 | -93.3 | -5.8 | 0 | 0 | 0 | 115.1 | ||
| 847 | T | 30.4 | Very low | 34 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -8.3 | -175.1 | 51.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 848 | T | 33.8 | Very low | 34.4 | Very low | 94 Ų | 94 | 115 Ų | 115 | 58% | 0.577 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -27.7 | -177.5 | -37.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 849 | F | 30 | Very low | 35.1 | Very low | 172 Ų | 172 | 116 Ų | 116 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | trans | -155.6 | 80.1 | 172.3 | -67.4 | -75.6 | 0 | 0 | 0 | 114.1 | N851 | F849-N851 PolarHBondContact O-N 3.49Å; F849-N851 VanDerWaalsContact O-N 3.08Å | ||
| 850 | P | 27.9 | Very low | 36 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 66% | 0.662 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 0.7 | 173.7 | -12.6 | 27.3 | 0 | 0 | 0 | 114.5 | ||
| 851 | N | 32.5 | Very low | 37 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 68% | 0.679 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 19.9 | -169 | -76.8 | -19.8 | 0 | 0 | 0 | 115.1 | F849 K853 Y854 | F849-N851 PolarHBondContact O-N 3.49Å; F849-N851 VanDerWaalsContact O-N 3.08Å; N851-K853 PolarHBondContact O-N 3Å; N851-Y854 PolarHBondContact O-N 3.3Å |
| 852 | S | 39.1 | Very low | 38.3 | Very low | 89 Ų | 89 | 104.6 Ų | 104.6 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -60.6 | -12.6 | 173.2 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | Y854 A855 | S852-Y854 PolarHBondContact O-N 3.3Å; S852-Y854 VanDerWaalsContact O-N 3.09Å; S852-A855 WeakPolarHBondContact O-CB 3.41Å; S852-A855 PolarHBondContact O-N 3Å |
| 853 | K | 38.2 | Very low | 40.1 | Very low | 178 Ų | 178 | 103.4 Ų | 103.4 | 77% | 0.774 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -61 | -13.3 | 174 | -98.6 | -178.9 | 176.2 | 176.4 | 0 | 115.1 | N851 | N851-K853 PolarHBondContact O-N 3Š|
| 854 | Y | 41.7 | Very low | 41.8 | Very low | 50 Ų | 50 | 103.8 Ų | 103.8 | 20% | 0.196 | 56% | 0.564 | C | S | . | * | G | 310 helix | trans | -131.8 | 34.5 | 179.4 | -56 | -73.8 | 0 | 0 | 0 | 113 | N851 S852 C856 L881 L882 A885 | N851-Y854 PolarHBondContact O-N 3.3Å; S852-Y854 PolarHBondContact O-N 3.3Å; S852-Y854 VanDerWaalsContact O-N 3.09Å; Y854-C856 PolarHBondContact O-N 3.41Å; Y854-L881 HydrophobicContact CE1-CB 4.24Å; Y854-L882 HydrophobicContact CE1-CD2 4.27Å; Y854-A885 HydrophobicContact CD1-CB 4.24Å; Y854-A885 HydrophobicContact CE1-CB 4.09Å |
| 855 | A | 44 | Very low | 43.6 | Very low | 64 Ų | 64 | 98 Ų | 98 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | trans | -65.9 | 48.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S852 | S852-A855 WeakPolarHBondContact O-CB 3.41Å; S852-A855 PolarHBondContact O-N 3Å | ||
| 856 | C | 46 | Very low | 45.6 | Very low | 19 Ų | 19 | 91.7 Ų | 91.7 | 13% | 0.128 | 50% | 0.498 | C | S | . | . | trans | -84.2 | 8.2 | 161.5 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | Y854 S858 R1189 H1193 | Y854-C856 PolarHBondContact O-N 3.41Å; C856-S858 PolarHBondContact O-N 3.15Å; C856-R1189 HydrophobicContact CB-CB 3.96Å; C856-H1193 HydrophobicContact CB-CB 4.36Å | ||
| 857 | C | 42.1 | Very low | 47.5 | Very low | 80 Ų | 80 | 88.9 Ų | 88.9 | 54% | 0.541 | 48% | 0.483 | S | S | . | . | trans | -77.8 | 82.8 | 175.1 | -63.1 | 0 | 0 | 0 | 0 | 110 | E866 | C857-E866 PolarHBondContact SG-OE2 3.32Š| ||
| 858 | S | 43.5 | Very low | 49.3 | Very low | 34 Ų | 34 | 83.5 Ų | 83.5 | 24% | 0.238 | 45% | 0.45 | C | S | . | . | trans | -81.2 | 132.7 | 161.7 | 166.3 | 0 | 0 | 0 | 0 | 109.3 | C856 E860 H861 | C856-S858 PolarHBondContact O-N 3.15Å; S858-E860 PolarHBondContact O-N 2.82Å; S858-H861 PolarHBondContact O-ND1 2.85Å; S858-H861 VanDerWaalsContact O-ND1 3.07Å | ||
| 859 | I | 47.4 | Very low | 51 | Low | 162 Ų | 162 | 79 Ų | 79 | 83% | 0.831 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.8 | -173.7 | -68.4 | 162.1 | 0 | 0 | 0 | 113.4 | H861 | I859-H861 VanDerWaalsContact C-N 3.28Å; I859-H861 PolarHBondContact O-N 2.81Å |
| 860 | E | 49.2 | Very low | 52.9 | Low | 45 Ų | 45 | 72.2 Ų | 72.2 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4 | -174 | -64.5 | -166.8 | 149 | 0 | 0 | 115.9 | S858 R1199 R1226 | S858-E860 PolarHBondContact O-N 2.82Å; E860-R1199 IonicContact OE1-NH2 3.13Å; E860-R1199 PolarHBondContact OE1-NH2 3.06Å; E860-R1199 IonicContact OE2-CZ 3.91Å; E860-R1199 IonicContact OE2-NH1 3.38Å; E860-R1199 IonicContact OE2-NH2 2.92Å; E860-R1199 PolarHBondContact OE2-NH2 3.48Å; E860-R1226 PolarHBondContact OE1-N 3.02Å |
| 861 | H | 51.8 | Low | 54.9 | Low | 48 Ų | 48 | 75 Ų | 75 | 22% | 0.222 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -104 | 149.4 | -158.6 | -67.8 | 89.3 | 0 | 0 | 0 | 116.2 | S858 I859 Q863 K1192 | S858-H861 PolarHBondContact O-ND1 2.85Å; S858-H861 VanDerWaalsContact O-ND1 3.07Å; I859-H861 VanDerWaalsContact C-N 3.28Å; I859-H861 PolarHBondContact O-N 2.81Å; H861-Q863 PolarHBondContact O-N 2.94Å; H861-K1192 VanDerWaalsContact CD2-CD 3.47Å; H861-K1192 WeakPolarHBondContact CD2-CD 3.19Å |
| 862 | D | 58.5 | Low | 56.6 | Low | 91 Ų | 91 | 69.5 Ų | 69.5 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -37.7 | 109.3 | 176 | -62.3 | -54 | 0 | 0 | 0 | 112.3 | L864 I865 E866 K1192 | D862-L864 PolarHBondContact O-N 2.98Å; D862-I865 HydrophobicContact CB-CD1 4.1Å; D862-I865 HydrophobicContact CB-CG1 4.15Å; D862-I865 PolarHBondContact O-N 3.1Å; D862-E866 PolarHBondContact O-N 3.43Å; D862-K1192 IonicContact OD2-NZ 3.64Å | ||
| 863 | Q | 65.9 | Low | 58 | Low | 150 Ų | 150 | 67.4 Ų | 67.4 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -51.2 | -30.5 | -179.3 | -163.1 | 162.9 | 5.3 | 0 | 0 | 111.8 | H861 I865 E866 D867 | H861-Q863 PolarHBondContact O-N 2.94Å; Q863-I865 PolarHBondContact O-N 3.26Å; Q863-E866 PolarHBondContact O-N 2.81Å; Q863-D867 WeakPolarHBondContact O-CB 3.35Å; Q863-D867 PolarHBondContact O-N 3.11Å |
| 864 | L | 67.9 | Low | 59.5 | Low | 118 Ų | 118 | 67 Ų | 67 | 62% | 0.618 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 175.6 | -64 | 175.7 | 0 | 0 | 0 | 114.7 | D862 C868 | D862-L864 PolarHBondContact O-N 2.98Å; L864-C868 WeakPolarHBondContact O-CB 3.43Å; L864-C868 PolarHBondContact O-N 2.98Å |
| 865 | I | 68.8 | Low | 60.6 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71 | -44.3 | -179 | -64 | 174.5 | 0 | 0 | 0 | 109.2 | D862 Q863 C868 T869 W1150 L1185 L1188 | D862-I865 HydrophobicContact CB-CD1 4.1Å; D862-I865 HydrophobicContact CB-CG1 4.15Å; D862-I865 PolarHBondContact O-N 3.1Å; Q863-I865 PolarHBondContact O-N 3.26Å; I865-C868 PolarHBondContact O-N 2.87Å; I865-T869 WeakPolarHBondContact O-CB 3.32Å; I865-T869 PolarHBondContact O-N 2.83Å; I865-T869 PolarHBondContact O-OG1 2.93Å; I865-W1150 HydrophobicContact CD1-CD2 4.35Å; I865-W1150 HydrophobicContact CD1-CH2 4.14Å; I865-W1150 HydrophobicContact CD1-CZ2 4Å; I865-W1150 HydrophobicContact CD1-CZ3 4.38Å; I865-W1150 HydrophobicContact CG1-CD2 3.82Å; I865-W1150 HydrophobicContact CG1-CE3 4.21Å; I865-W1150 HydrophobicContact CG1-CG 4.08Å; I865-W1150 HydrophobicContact CG1-CZ2 4.31Å; I865-L1185 HydrophobicContact CG2-CD2 4.05Å; I865-L1188 HydrophobicContact CD1-CD2 4.15Å |
| 866 | E | 70.5 | Confident | 61.4 | Low | 45 Ų | 45 | 66.7 Ų | 66.7 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 178.3 | -67.7 | -58.1 | 106.9 | 0 | 0 | 111.5 | C857 D862 Q863 C868 T869 G870 R1189 | C857-E866 PolarHBondContact SG-OE2 3.32Å; D862-E866 PolarHBondContact O-N 3.43Å; Q863-E866 PolarHBondContact O-N 2.81Å; E866-C868 PolarHBondContact O-N 3.46Å; E866-T869 PolarHBondContact O-N 2.83Å; E866-G870 PolarHBondContact O-N 3.28Å; E866-R1189 IonicContact OE1-CZ 2.84Å; E866-R1189 VanDerWaalsContact OE1-CZ 3.24Å; E866-R1189 IonicContact OE1-NE 3.24Å; E866-R1189 PolarHBondContact OE1-NE 3.3Å; E866-R1189 IonicContact OE1-NH2 3.95Å; E866-R1189 PolarHBondContact OE1-NH2 3.39Å; E866-R1189 IonicContact OE2-CZ 2.78Å; E866-R1189 IonicContact OE2-NE 2.7Å; E866-R1189 IonicContact OE2-NH2 3.56Å; E866-R1189 PolarHBondContact OE2-NH2 2.7Å |
| 867 | D | 69.3 | Low | 62.2 | Low | 76 Ų | 76 | 70.9 Ų | 70.9 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.9 | -70.9 | -14.3 | 0 | 0 | 0 | 111.9 | Q863 R871 | Q863-D867 WeakPolarHBondContact O-CB 3.35Å; Q863-D867 PolarHBondContact O-N 3.11Å; D867-R871 WeakPolarHBondContact O-CB 3.34Å; D867-R871 VanDerWaalsContact O-CG 3.26Å; D867-R871 WeakPolarHBondContact O-CG 3.45Å; D867-R871 PolarHBondContact O-N 3.18Å; D867-R871 VanDerWaalsContact O-N 3.11Å; D867-R871 PolarHBondContact O-NE 3.38Å |
| 868 | C | 68.3 | Low | 63.1 | Low | 7 Ų | 7 | 71.2 Ų | 71.2 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | L864 I865 E866 R871 L872 W1150 R1181 | L864-C868 WeakPolarHBondContact O-CB 3.43Å; L864-C868 PolarHBondContact O-N 2.98Å; I865-C868 PolarHBondContact O-N 2.87Å; E866-C868 PolarHBondContact O-N 3.46Å; C868-R871 PolarHBondContact O-N 3Å; C868-L872 WeakPolarHBondContact O-CG 3.35Å; C868-L872 PolarHBondContact O-N 3.46Å; C868-W1150 HydrophobicContact CB-CB 3.91Å; C868-R1181 PolarHBondContact SG-NH2 3.49Å |
| 869 | T | 68.1 | Low | 64 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | -179.1 | -45.1 | 0 | 0 | 0 | 0 | 111.1 | I865 E866 R871 L872 I873 L1182 L1185 R1189 | I865-T869 WeakPolarHBondContact O-CB 3.32Å; I865-T869 PolarHBondContact O-N 2.83Å; I865-T869 PolarHBondContact O-OG1 2.93Å; E866-T869 PolarHBondContact O-N 2.83Å; T869-R871 VanDerWaalsContact C-N 3.33Å; T869-R871 PolarHBondContact O-N 3.15Å; T869-L872 PolarHBondContact O-N 3.44Å; T869-L872 VanDerWaalsContact O-N 3.11Å; T869-I873 HydrophobicContact CG2-CD1 3.8Å; T869-I873 HydrophobicContact CG2-CG1 4.08Å; T869-I873 WeakPolarHBondContact O-CB 3.31Å; T869-I873 WeakPolarHBondContact O-CG1 3.29Å; T869-I873 PolarHBondContact O-N 2.9Å; T869-L1182 HydrophobicContact CG2-CD1 4.16Å; T869-L1185 HydrophobicContact CG2-CB 4.34Å; T869-R1189 VanDerWaalsContact CB-CZ 3.4Å; T869-R1189 VanDerWaalsContact CB-NH2 3.26Å |
| 870 | G | 70.1 | Confident | 64.5 | Low | 29 Ų | 29 | 68.2 Ų | 68.2 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E866 L872 I873 Q874 | E866-G870 PolarHBondContact O-N 3.28Å; G870-L872 PolarHBondContact O-N 2.91Å; G870-I873 PolarHBondContact O-N 3.23Å; G870-Q874 WeakPolarHBondContact O-CG 3.41Å; G870-Q874 PolarHBondContact O-N 3.02Å |
| 871 | R | 70.3 | Confident | 64.8 | Low | 159 Ų | 159 | 66.6 Ų | 66.6 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 173.2 | -75.7 | 178.9 | -71.3 | -158.9 | 0.8 | 113 | D867 C868 T869 | D867-R871 WeakPolarHBondContact O-CB 3.34Å; D867-R871 VanDerWaalsContact O-CG 3.26Å; D867-R871 WeakPolarHBondContact O-CG 3.45Å; D867-R871 PolarHBondContact O-N 3.18Å; D867-R871 VanDerWaalsContact O-N 3.11Å; D867-R871 PolarHBondContact O-NE 3.38Å; C868-R871 PolarHBondContact O-N 3Å; T869-R871 VanDerWaalsContact C-N 3.33Å; T869-R871 PolarHBondContact O-N 3.15Å |
| 872 | L | 67.9 | Low | 64.9 | Low | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.9 | -40 | 179.4 | -67.5 | 168.4 | 0 | 0 | 0 | 112 | C868 T869 G870 Q874 S875 L876 I1178 R1181 L1185 | C868-L872 WeakPolarHBondContact O-CG 3.35Å; C868-L872 PolarHBondContact O-N 3.46Å; T869-L872 PolarHBondContact O-N 3.44Å; T869-L872 VanDerWaalsContact O-N 3.11Å; G870-L872 PolarHBondContact O-N 2.91Å; L872-Q874 VanDerWaalsContact C-N 3.31Å; L872-Q874 PolarHBondContact O-N 3.31Å; L872-S875 PolarHBondContact O-N 2.89Å; L872-S875 PolarHBondContact O-OG 2.57Å; L872-L876 WeakPolarHBondContact O-CD1 3.29Å; L872-I1178 HydrophobicContact CD2-CG1 4.45Å; L872-I1178 HydrophobicContact CD2-CG2 4Å; L872-R1181 HydrophobicContact CD1-CB 4.22Å; L872-L1185 HydrophobicContact CD1-CD1 3.51Å |
| 873 | I | 68.7 | Low | 64.7 | Low | 44 Ų | 44 | 67.5 Ų | 67.5 | 23% | 0.226 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 178.7 | -72.2 | 172.3 | 0 | 0 | 0 | 111 | T869 G870 S875 L876 L881 L1182 | T869-I873 HydrophobicContact CG2-CD1 3.8Å; T869-I873 HydrophobicContact CG2-CG1 4.08Å; T869-I873 WeakPolarHBondContact O-CB 3.31Å; T869-I873 WeakPolarHBondContact O-CG1 3.29Å; T869-I873 PolarHBondContact O-N 2.9Å; G870-I873 PolarHBondContact O-N 3.23Å; I873-S875 PolarHBondContact O-N 3.22Å; I873-L876 PolarHBondContact O-N 3.11Å; I873-L881 HydrophobicContact CB-CD2 4.2Å; I873-L881 HydrophobicContact CD1-CD2 4.47Å; I873-L881 HydrophobicContact CG1-CD2 3.73Å; I873-L881 HydrophobicContact CG2-CD1 3.86Å; I873-L881 HydrophobicContact CG2-CD2 3.9Å; I873-L1182 HydrophobicContact CG1-CD1 3.97Å |
| 874 | Q | 69.1 | Low | 64 | Low | 171 Ų | 171 | 60.4 Ų | 60.4 | 80% | 0.799 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.3 | 177.4 | -73.3 | 175.4 | -0.7 | 0 | 0 | 113.8 | G870 L872 | G870-Q874 WeakPolarHBondContact O-CG 3.41Å; G870-Q874 PolarHBondContact O-N 3.02Å; L872-Q874 VanDerWaalsContact C-N 3.31Å; L872-Q874 PolarHBondContact O-N 3.31Å |
| 875 | S | 65.7 | Low | 63.3 | Low | 71 Ų | 71 | 55.9 Ų | 55.9 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -0.7 | -178.8 | 72 | 0 | 0 | 0 | 0 | 114.9 | L872 I873 | L872-S875 PolarHBondContact O-N 2.89Å; L872-S875 PolarHBondContact O-OG 2.57Å; I873-S875 PolarHBondContact O-N 3.22Å |
| 876 | L | 60.3 | Low | 62.3 | Low | 35 Ų | 35 | 58.8 Ų | 58.8 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -122.1 | 156 | -173.4 | -80.6 | 113.8 | 0 | 0 | 0 | 114.1 | L872 I873 C880 I1178 K1179 L1182 | L872-L876 WeakPolarHBondContact O-CD1 3.29Å; I873-L876 PolarHBondContact O-N 3.11Å; L876-C880 HydrophobicContact CD2-CB 3.81Å; L876-I1178 HydrophobicContact CD1-CG2 3.69Å; L876-K1179 HydrophobicContact CD2-CG 4.49Å; L876-L1182 HydrophobicContact CD1-CD2 3.8Å; L876-L1182 HydrophobicContact CD2-CD2 4.15Å; L876-L1182 HydrophobicContact CG-CD2 4.48Å |
| 877 | D | 63.7 | Low | 61.4 | Low | 108 Ų | 108 | 59.8 Ų | 59.8 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | trans | -71.6 | 148.7 | 172.5 | -166 | 2.7 | 0 | 0 | 0 | 112 | D879 C880 L881 | D877-D879 VanDerWaalsContact C-N 3.28Å; D877-D879 PolarHBondContact O-N 2.81Å; D877-C880 WeakPolarHBondContact O-CB 3.38Å; D877-C880 PolarHBondContact O-N 3.15Å; D877-C880 VanDerWaalsContact O-N 3.1Å; D877-L881 PolarHBondContact O-N 3.37Å | ||
| 878 | V | 61.2 | Low | 60.3 | Low | 86 Ų | 86 | 58.5 Ų | 58.5 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | -174.6 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | C880 L881 L882 | V878-C880 PolarHBondContact O-N 3.06Å; V878-L881 WeakPolarHBondContact O-CB 3.3Å; V878-L881 PolarHBondContact O-N 3.38Å; V878-L882 HydrophobicContact CG1-CD1 4.46Å; V878-L882 PolarHBondContact O-N 3.02Å |
| 879 | D | 60.8 | Low | 59.4 | Low | 104 Ų | 104 | 59.6 Ų | 59.6 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68.1 | -34.7 | 178.7 | -73.4 | -14 | 0 | 0 | 0 | 112.6 | D877 L881 L882 K883 | D877-D879 VanDerWaalsContact C-N 3.28Å; D877-D879 PolarHBondContact O-N 2.81Å; D879-L881 VanDerWaalsContact C-N 3.33Å; D879-L882 PolarHBondContact O-N 3.41Å; D879-K883 WeakPolarHBondContact O-CG 3.49Å; D879-K883 PolarHBondContact O-N 3.12Å |
| 880 | C | 59 | Low | 58.6 | Low | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 173.9 | -73.1 | 0 | 0 | 0 | 0 | 110.7 | L876 D877 V878 K883 S884 L890 | L876-C880 HydrophobicContact CD2-CB 3.81Å; D877-C880 WeakPolarHBondContact O-CB 3.38Å; D877-C880 PolarHBondContact O-N 3.15Å; D877-C880 VanDerWaalsContact O-N 3.1Å; V878-C880 PolarHBondContact O-N 3.06Å; C880-K883 PolarHBondContact O-N 3.5Å; C880-S884 WeakPolarHBondContact O-CB 3.44Å; C880-S884 PolarHBondContact O-N 3.2Å; C880-S884 PolarHBondContact O-OG 3.49Å; C880-L890 HydrophobicContact CB-CD2 3.87Å; C880-L890 WeakPolarHBondContact O-CD2 3.41Å |
| 881 | L | 54.8 | Low | 57.6 | Low | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.2 | -73.9 | 159.9 | 0 | 0 | 0 | 111.2 | Y854 I873 D877 V878 D879 S884 A885 L1182 | Y854-L881 HydrophobicContact CE1-CB 4.24Å; I873-L881 HydrophobicContact CB-CD2 4.2Å; I873-L881 HydrophobicContact CD1-CD2 4.47Å; I873-L881 HydrophobicContact CG1-CD2 3.73Å; I873-L881 HydrophobicContact CG2-CD1 3.86Å; I873-L881 HydrophobicContact CG2-CD2 3.9Å; D877-L881 PolarHBondContact O-N 3.37Å; V878-L881 WeakPolarHBondContact O-CB 3.3Å; V878-L881 PolarHBondContact O-N 3.38Å; D879-L881 VanDerWaalsContact C-N 3.33Å; L881-S884 PolarHBondContact O-N 3.11Å; L881-S884 PolarHBondContact O-OG 3.29Å; L881-A885 VanDerWaalsContact O-CB 3.28Å; L881-A885 WeakPolarHBondContact O-CB 3.29Å; L881-A885 PolarHBondContact O-N 3.42Å; L881-L1182 HydrophobicContact CD2-CD2 4.09Å |
| 882 | L | 53.4 | Low | 56.4 | Low | 74 Ų | 74 | 57.9 Ų | 57.9 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 176 | -71.3 | 169.9 | 0 | 0 | 0 | 112.2 | Y854 V878 D879 S884 A885 D886 | Y854-L882 HydrophobicContact CE1-CD2 4.27Å; V878-L882 HydrophobicContact CG1-CD1 4.46Å; V878-L882 PolarHBondContact O-N 3.02Å; D879-L882 PolarHBondContact O-N 3.41Å; L882-S884 VanDerWaalsContact C-N 3.31Å; L882-S884 PolarHBondContact O-N 2.98Å; L882-A885 WeakPolarHBondContact O-CB 3.46Å; L882-A885 PolarHBondContact O-N 3.06Å; L882-A885 VanDerWaalsContact O-N 3.1Å; L882-D886 WeakPolarHBondContact O-CB 3.36Å; L882-D886 PolarHBondContact O-N 2.92Å; L882-D886 VanDerWaalsContact O-N 3.16Å |
| 883 | K | 54.4 | Low | 55.2 | Low | 85 Ų | 85 | 60.6 Ų | 60.6 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 176.3 | -74.4 | -178.8 | -179.3 | -178.1 | 0 | 111.8 | D879 C880 A885 D886 C888 L890 | D879-K883 WeakPolarHBondContact O-CG 3.49Å; D879-K883 PolarHBondContact O-N 3.12Å; C880-K883 PolarHBondContact O-N 3.5Å; K883-A885 VanDerWaalsContact C-N 3.33Å; K883-A885 PolarHBondContact O-N 2.91Å; K883-D886 PolarHBondContact O-N 3.01Å; K883-C888 HydrophobicContact CB-CB 4.29Å; K883-C888 WeakPolarHBondContact O-CB 3.45Å; K883-C888 PolarHBondContact O-N 2.88Å; K883-C888 VanDerWaalsContact O-N 3.1Å; K883-C888 VanDerWaalsContact O-O 3.1Å; K883-L890 HydrophobicContact CB-CD2 4.28Å |
| 884 | S | 52.7 | Low | 53.9 | Low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.2 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | C880 L881 L882 D886 R1190 | C880-S884 WeakPolarHBondContact O-CB 3.44Å; C880-S884 PolarHBondContact O-N 3.2Å; C880-S884 PolarHBondContact O-OG 3.49Å; L881-S884 PolarHBondContact O-N 3.11Å; L881-S884 PolarHBondContact O-OG 3.29Å; L882-S884 VanDerWaalsContact C-N 3.31Å; L882-S884 PolarHBondContact O-N 2.98Å; S884-D886 PolarHBondContact O-N 2.93Å; S884-R1190 PolarHBondContact O-NH2 2.88Å |
| 885 | A | 51.7 | Low | 52.6 | Low | 22 Ų | 22 | 65 Ų | 65 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.5 | -16.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y854 L881 L882 K883 R1190 | Y854-A885 HydrophobicContact CD1-CB 4.24Å; Y854-A885 HydrophobicContact CE1-CB 4.09Å; L881-A885 VanDerWaalsContact O-CB 3.28Å; L881-A885 WeakPolarHBondContact O-CB 3.29Å; L881-A885 PolarHBondContact O-N 3.42Å; L882-A885 WeakPolarHBondContact O-CB 3.46Å; L882-A885 PolarHBondContact O-N 3.06Å; L882-A885 VanDerWaalsContact O-N 3.1Å; K883-A885 VanDerWaalsContact C-N 3.33Å; K883-A885 PolarHBondContact O-N 2.91Å; A885-R1190 VanDerWaalsContact C-CZ 3.4Å; A885-R1190 PolarHBondContact O-NE 2.91Å; A885-R1190 PolarHBondContact O-NH1 2.85Å; A885-R1190 PolarHBondContact O-NH2 3.23Å |
| 886 | D | 49.5 | Very low | 51.4 | Low | 65 Ų | 65 | 71 Ų | 71 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 7.7 | -171.3 | -91.7 | 3.6 | 0 | 0 | 0 | 113.9 | R805 L882 K883 S884 C888 | R805-D886 VanDerWaalsContact CZ-CG 3.5Å; R805-D886 IonicContact CZ-OD1 3.5Å; R805-D886 IonicContact CZ-OD2 3.56Å; R805-D886 IonicContact NH1-OD1 3.24Å; R805-D886 IonicContact NH1-OD2 3.25Å; R805-D886 IonicContact NH2-OD1 3.38Å; R805-D886 PolarHBondContact NH2-OD1 3.36Å; R805-D886 IonicContact NH2-OD2 3.37Å; R805-D886 PolarHBondContact NH2-OD2 3.47Å; L882-D886 WeakPolarHBondContact O-CB 3.36Å; L882-D886 PolarHBondContact O-N 2.92Å; L882-D886 VanDerWaalsContact O-N 3.16Å; K883-D886 PolarHBondContact O-N 3.01Å; S884-D886 PolarHBondContact O-N 2.93Å; D886-C888 HydrophobicContact CB-CB 4.45Å; D886-C888 PolarHBondContact O-N 3.46Å |
| 887 | D | 50.8 | Low | 50.3 | Low | 66 Ų | 66 | 73.1 Ų | 73.1 | 35% | 0.353 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 10.9 | -165.9 | -86.2 | -35.5 | 0 | 0 | 0 | 114.4 | R1187 R1190 | D887-R1187 VanDerWaalsContact OD1-CG 3.31Å; D887-R1187 WeakPolarHBondContact OD1-CG 3.47Å; D887-R1187 IonicContact OD1-CZ 2.84Å; D887-R1187 IonicContact OD1-NE 2.81Å; D887-R1187 PolarHBondContact OD1-NE 2.93Å; D887-R1187 IonicContact OD1-NH2 3.88Å; D887-R1190 IonicContact OD1-NH1 3.63Å; D887-R1190 PolarHBondContact OD1-NH1 2.97Å; D887-R1190 VanDerWaalsContact OD1-NH1 3.13Å; D887-R1190 IonicContact OD2-NH1 3.68Å; D887-R1190 PolarHBondContact OD2-NH1 3.28Å |
| 888 | C | 45.4 | Very low | 49.1 | Very low | 48 Ų | 48 | 75.6 Ų | 75.6 | 32% | 0.324 | 45% | 0.447 | S | S | . | . | trans | -68.6 | 136.8 | 173.2 | -64.5 | 0 | 0 | 0 | 0 | 109.3 | K883 D886 L890 | K883-C888 HydrophobicContact CB-CB 4.29Å; K883-C888 WeakPolarHBondContact O-CB 3.45Å; K883-C888 PolarHBondContact O-N 2.88Å; K883-C888 VanDerWaalsContact O-N 3.1Å; K883-C888 VanDerWaalsContact O-O 3.1Å; D886-C888 HydrophobicContact CB-CB 4.45Å; D886-C888 PolarHBondContact O-N 3.46Å; C888-L890 PolarHBondContact O-N 3.19Å | ||
| 889 | P | 49.7 | Very low | 48.2 | Very low | 31 Ų | 31 | 76.7 Ų | 76.7 | 20% | 0.201 | 45% | 0.451 | C | S | . | . | trans | -56.8 | 128.8 | 171.2 | 24.9 | -33.6 | 0 | 0 | 0 | 109.9 | D891 | P889-D891 PolarHBondContact O-N 3.28Š| ||
| 890 | L | 51.8 | Low | 47.3 | Very low | 13 Ų | 13 | 75.2 Ų | 75.2 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -60.9 | -27.5 | 179 | -80.5 | 165.6 | 0 | 0 | 0 | 112.2 | C880 K883 C888 G892 K1179 Q1183 | C880-L890 HydrophobicContact CB-CD2 3.87Å; C880-L890 WeakPolarHBondContact O-CD2 3.41Å; K883-L890 HydrophobicContact CB-CD2 4.28Å; C888-L890 PolarHBondContact O-N 3.19Å; L890-G892 PolarHBondContact O-N 3.24Å; L890-K1179 HydrophobicContact CD1-CB 3.87Å; L890-K1179 HydrophobicContact CD1-CG 4.27Å; L890-K1179 WeakPolarHBondContact CD1-O 3.47Å; L890-Q1183 HydrophobicContact CD1-CB 4.34Å |
| 891 | D | 49.3 | Very low | 46.9 | Very low | 101 Ų | 101 | 74.7 Ų | 74.7 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | trans | -96.1 | 64.4 | -179.1 | -59.8 | -31.3 | 0 | 0 | 0 | 110.4 | P889 K1179 | P889-D891 PolarHBondContact O-N 3.28Å; D891-K1179 IonicContact OD1-NZ 2.74Å; D891-K1179 PolarHBondContact OD1-NZ 3.21Å | ||
| 892 | G | 44 | Very low | 47 | Very low | 38 Ų | 38 | 77.1 Ų | 77.1 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | trans | -95.3 | 84.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L890 | L890-G892 PolarHBondContact O-N 3.24Š| ||
| 893 | G | 44.1 | Very low | 47.5 | Very low | 69 Ų | 69 | 79 Ų | 79 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | trans | -81.8 | 124.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | D895 | G893-D895 PolarHBondContact O-N 3.17Š| ||
| 894 | D | 40.4 | Very low | 48.2 | Very low | 170 Ų | 170 | 76 Ų | 76 | 91% | 0.909 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -70.4 | 8.9 | -175.7 | -69.3 | -39.2 | 0 | 0 | 0 | 114.5 | ||
| 895 | D | 42.1 | Very low | 49.4 | Very low | 137 Ų | 137 | 77.6 Ų | 77.6 | 73% | 0.733 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -109 | 112.2 | -175.7 | -93.4 | -30.2 | 0 | 0 | 0 | 111.9 | G893 | G893-D895 PolarHBondContact O-N 3.17Š|
| 896 | F | 40.3 | Very low | 50.9 | Low | 198 Ų | 198 | 76.5 Ų | 76.5 | 87% | 0.868 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 61.5 | 91.6 | 159.8 | -69.5 | -90.9 | 0 | 0 | 0 | 118.3 | ||
| 897 | G | 37.6 | Very low | 52.7 | Low | 79 Ų | 79 | 73.5 Ų | 73.5 | 81% | 0.814 | 45% | 0.448 | S | S | * | . | trans | 71.6 | 122.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 898 | D | 38.6 | Very low | 54.4 | Low | 160 Ų | 160 | 70.4 Ų | 70.4 | 86% | 0.856 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 87.3 | 91.2 | 157.8 | -136.5 | 15.5 | 0 | 0 | 0 | 118.1 | G900 | D898-G900 VanDerWaalsContact C-N 3.27Å; D898-G900 PolarHBondContact O-N 3.14Å |
| 899 | D | 41.5 | Very low | 56.5 | Low | 110 Ų | 110 | 68.2 Ų | 68.2 | 59% | 0.588 | 42% | 0.416 | S | S | * | . | trans | 48.4 | 10.8 | 134.9 | -141.3 | 23.3 | 0 | 0 | 0 | 121.6 | K753 G901 | K753-D899 IonicContact NZ-OD1 3.21Å; K753-D899 PolarHBondContact NZ-OD1 3.35Å; K753-D899 IonicContact NZ-OD2 2.7Å; K753-D899 PolarHBondContact NZ-OD2 3.44Å; D899-G901 PolarHBondContact O-N 2.98Å | ||
| 900 | G | 42.5 | Very low | 58.4 | Low | 72 Ų | 72 | 66.8 Ų | 66.8 | 74% | 0.742 | 41% | 0.407 | S | S | * | . | trans | -72.1 | 16.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | D898 N902 | D898-G900 VanDerWaalsContact C-N 3.27Å; D898-G900 PolarHBondContact O-N 3.14Å; G900-N902 PolarHBondContact O-N 3.44Å | ||
| 901 | G | 50.7 | Low | 60.2 | Low | 19 Ų | 19 | 66.1 Ų | 66.1 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | trans | -64.7 | 130.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D899 W903 | D899-G901 PolarHBondContact O-N 2.98Å; G901-W903 PolarHBondContact O-N 3.3Å | ||
| 902 | N | 57.6 | Low | 62.2 | Low | 61 Ų | 61 | 61.5 Ų | 61.5 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | trans | -74.5 | 70 | 175.9 | -150.4 | 23.9 | 0 | 0 | 0 | 111.3 | G900 Q1183 R1187 | G900-N902 PolarHBondContact O-N 3.44Å; N902-Q1183 PolarHBondContact ND2-OE1 3.07Å; N902-Q1183 PolarHBondContact O-NE2 3.15Å; N902-R1187 PolarHBondContact O-NH2 3.49Å | ||
| 903 | W | 62.4 | Low | 64.5 | Low | 113 Ų | 113 | 60.1 Ų | 60.1 | 43% | 0.428 | 36% | 0.362 | S | S | . | . | trans | -62 | 164.8 | -179.1 | -65.4 | 98 | 0 | 0 | 0 | 112.2 | K753 G901 E905 | K753-W903 HydrophobicContact CD-CG 4.45Å; G901-W903 PolarHBondContact O-N 3.3Å; W903-E905 PolarHBondContact O-N 3.21Å | ||
| 904 | A | 69.9 | Low | 66.7 | Low | 22 Ų | 22 | 57 Ų | 57 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -70.3 | 121.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | L754 Y1060 | L754-A904 HydrophobicContact CB-CB 4.36Å; L754-A904 VanDerWaalsContact CB-O 3.31Å; L754-A904 WeakPolarHBondContact CB-O 3.46Å; L754-A904 HydrophobicContact CD2-CB 4.29Å; L754-A904 PolarHBondContact N-O 3.23Å; A904-Y1060 HydrophobicContact CB-CD2 3.99Å; A904-Y1060 HydrophobicContact CB-CE2 4.16Å | ||
| 905 | E | 77.6 | Confident | 69.2 | Low | 35 Ų | 35 | 48.9 Ų | 48.9 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.8 | -176.4 | -69 | -179.8 | -179.6 | 0 | 0 | 110.5 | S751 V752 W903 K1057 Y1059 Y1060 | S751-E905 WeakPolarHBondContact CB-OE2 3.48Å; S751-E905 VanDerWaalsContact OG-CB 3.32Å; S751-E905 WeakPolarHBondContact OG-CB 3.35Å; S751-E905 VanDerWaalsContact OG-CG 3.3Å; S751-E905 WeakPolarHBondContact OG-CG 3.24Å; S751-E905 PolarHBondContact OG-OE2 3.49Å; V752-E905 CarbonylContact O-C 3.53Å; V752-E905 WeakPolarHBondContact O-CA 3.46Å; W903-E905 PolarHBondContact O-N 3.21Å; E905-K1057 IonicContact OE1-NZ 3.59Å; E905-K1057 PolarHBondContact OE1-NZ 3.16Å; E905-K1057 VanDerWaalsContact OE1-NZ 3.12Å; E905-K1057 WeakPolarHBondContact OE2-CD 3.42Å; E905-K1057 IonicContact OE2-NZ 3.47Å; E905-K1057 PolarHBondContact OE2-NZ 2.89Å; E905-Y1059 HydrophobicContact CB-CD1 4.44Å; E905-Y1059 WeakPolarHBondContact O-CA 3.4Å; E905-Y1060 PolarHBondContact O-N 3.47Å |
| 906 | T | 83.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.2 | 167.8 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | V752 L754 L757 C910 Y1060 P1062 | V752-T906 HydrophobicContact CB-CG2 3.92Å; V752-T906 HydrophobicContact CG1-CG2 4.31Å; V752-T906 PolarHBondContact N-O 3.31Å; V752-T906 PolarHBondContact O-N 2.73Å; L754-T906 HydrophobicContact CD1-CG2 4.24Å; L757-T906 HydrophobicContact CB-CG2 4.46Å; L757-T906 HydrophobicContact CD2-CG2 4.27Å; T906-C910 WeakPolarHBondContact OG1-CB 3.37Å; T906-Y1060 WeakPolarHBondContact CB-O 3.49Å; T906-Y1060 PolarHBondContact OG1-O 3.16Å; T906-P1062 WeakPolarHBondContact OG1-CD 3.34Å |
| 907 | H | 87.4 | Confident | 74.2 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 145.5 | 172.7 | -166.4 | -94 | 0 | 0 | 0 | 109.8 | W724 S750 L909 C910 G911 I1043 Y1059 | W724-H907 AromaticContact CH2-CE1 3.38Å; W724-H907 WeakPolarHBondContact CH2-CE1 3.3Å; W724-H907 AromaticContact CH2-NE2 3.76Å; W724-H907 AromaticContact CZ2-CE1 3.74Å; S750-H907 CarbonylContact O-C 3.55Å; S750-H907 WeakPolarHBondContact O-CA 3.34Å; H907-L909 VanDerWaalsContact C-N 3.26Å; H907-L909 WeakPolarHBondContact ND1-CB 3.49Å; H907-L909 PolarHBondContact ND1-N 2.94Å; H907-L909 VanDerWaalsContact ND1-N 3.14Å; H907-L909 PolarHBondContact O-N 3.24Å; H907-C910 VanDerWaalsContact O-CB 3.3Å; H907-C910 WeakPolarHBondContact O-CB 3.39Å; H907-C910 PolarHBondContact O-N 3.47Å; H907-G911 PolarHBondContact O-N 3.19Å; H907-I1043 HydrophobicContact CB-CD1 3.86Å; H907-I1043 HydrophobicContact CB-CG1 4.42Å; H907-Y1059 HydrophobicContact CB-CD1 3.96Å; H907-Y1059 HydrophobicContact CB-CD2 4.05Å; H907-Y1059 HydrophobicContact CB-CE1 4.42Å; H907-Y1059 HydrophobicContact CB-CG 3.75Å; H907-Y1059 AromaticContact CD2-CE2 3.77Å; H907-Y1059 AromaticContact CD2-CZ 3.87Å |
| 908 | F | 86.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.5 | -45.3 | 177.7 | 168.1 | -94.2 | 0 | 0 | 0 | 111.8 | Y629 F630 I633 W724 S750 C910 G911 L912 | Y629-F908 AromaticContact CD1-CE1 3.94Å; Y629-F908 HydrophobicContact CD1-CE1 3.94Å; Y629-F908 AromaticContact CD1-CE2 3.32Å; Y629-F908 HydrophobicContact CD1-CE2 3.32Å; Y629-F908 AromaticContact CD1-CZ 2.99Å; Y629-F908 HydrophobicContact CD1-CZ 2.99Å; Y629-F908 AromaticContact CE1-CE1 3.76Å; Y629-F908 HydrophobicContact CE1-CE1 3.76Å; Y629-F908 HydrophobicContact CE1-CE2 4.02Å; Y629-F908 AromaticContact CE1-CZ 3.21Å; Y629-F908 HydrophobicContact CE1-CZ 3.21Å; Y629-F908 AromaticContact CG-CE2 3.9Å; Y629-F908 HydrophobicContact CG-CE2 3.9Å; Y629-F908 AromaticContact CG-CZ 3.93Å; Y629-F908 HydrophobicContact CG-CZ 3.93Å; F630-F908 HydrophobicContact CE1-CD2 4.43Å; F630-F908 HydrophobicContact CE1-CE2 4.11Å; F630-F908 AromaticContact CE2-CD2 3.92Å; F630-F908 HydrophobicContact CE2-CD2 3.92Å; F630-F908 HydrophobicContact CE2-CE2 4.18Å; F630-F908 AromaticContact CZ-CD2 3.78Å; F630-F908 HydrophobicContact CZ-CD2 3.78Å; F630-F908 AromaticContact CZ-CE2 3.9Å; F630-F908 HydrophobicContact CZ-CE2 3.9Å; I633-F908 HydrophobicContact CD1-CE2 4.05Å; I633-F908 HydrophobicContact CD1-CZ 3.88Å; W724-F908 HydrophobicContact CB-CE1 4.02Å; W724-F908 AromaticContact CD1-CD1 3.36Å; W724-F908 AromaticContact CD1-CE1 3.48Å; W724-F908 VanDerWaalsContact CD1-CE1 3.48Å; W724-F908 AromaticContact CD2-CD1 3.8Å; W724-F908 HydrophobicContact CD2-CD1 3.8Å; W724-F908 HydrophobicContact CD2-CE1 4.17Å; W724-F908 AromaticContact CE2-CD1 3.63Å; W724-F908 AromaticContact CG-CD1 3.66Å; W724-F908 HydrophobicContact CG-CD1 3.66Å; W724-F908 AromaticContact CG-CE1 3.61Å; W724-F908 HydrophobicContact CG-CE1 3.61Å; W724-F908 HydrophobicContact CZ2-CD1 4.4Å; W724-F908 AromaticContact NE1-CD1 3.31Å; W724-F908 VanDerWaalsContact NE1-CD1 3.31Å; W724-F908 AromaticContact NE1-CE1 3.96Å; W724-F908 AromaticContact NE1-CG 3.77Å; S750-F908 WeakPolarHBondContact O-CB 3.47Å; S750-F908 PolarHBondContact O-N 3.28Å; F908-C910 PolarHBondContact O-N 2.89Å; F908-G911 WeakPolarHBondContact O-CA 3.14Å; F908-G911 PolarHBondContact O-N 3.4Å; F908-L912 HydrophobicContact CE1-CB 4.5Å; F908-L912 HydrophobicContact CE1-CD1 4.3Å; F908-L912 HydrophobicContact CZ-CD1 4.27Å; F908-L912 PolarHBondContact O-N 3.28Å; F908-L912 VanDerWaalsContact O-N 3.07Å |
| 909 | L | 89.7 | Confident | 79.6 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -28.9 | 177.7 | -64.5 | 175.1 | 0 | 0 | 0 | 113.6 | Q721 W724 H907 G911 L912 H913 L1039 T1042 I1043 | Q721-L909 HydrophobicContact CG-CD2 3.88Å; W724-L909 HydrophobicContact CD2-CD2 4.25Å; W724-L909 HydrophobicContact CE3-CD1 4.27Å; W724-L909 HydrophobicContact CE3-CD2 3.72Å; W724-L909 HydrophobicContact CE3-CG 4.06Å; W724-L909 HydrophobicContact CH2-CD1 4.27Å; W724-L909 HydrophobicContact CH2-CG 4.3Å; W724-L909 HydrophobicContact CZ3-CD1 3.73Å; W724-L909 HydrophobicContact CZ3-CD2 4.04Å; W724-L909 HydrophobicContact CZ3-CG 3.89Å; H907-L909 VanDerWaalsContact C-N 3.26Å; H907-L909 WeakPolarHBondContact ND1-CB 3.49Å; H907-L909 PolarHBondContact ND1-N 2.94Å; H907-L909 VanDerWaalsContact ND1-N 3.14Å; H907-L909 PolarHBondContact O-N 3.24Å; L909-G911 VanDerWaalsContact C-N 3.3Å; L909-L912 PolarHBondContact O-N 3.44Å; L909-H913 WeakPolarHBondContact O-CB 3.42Å; L909-H913 PolarHBondContact O-N 2.94Å; L909-L1039 HydrophobicContact CB-CD1 3.61Å; L909-L1039 HydrophobicContact CD1-CD1 4.43Å; L909-T1042 HydrophobicContact CD1-CG2 3.87Å; L909-I1043 HydrophobicContact CD1-CG1 4.26Å |
| 910 | C | 89.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.3 | -32 | 173.3 | -60 | 0 | 0 | 0 | 0 | 111.4 | T906 H907 F908 H913 M914 P1062 | T906-C910 WeakPolarHBondContact OG1-CB 3.37Å; H907-C910 VanDerWaalsContact O-CB 3.3Å; H907-C910 WeakPolarHBondContact O-CB 3.39Å; H907-C910 PolarHBondContact O-N 3.47Å; F908-C910 PolarHBondContact O-N 2.89Å; C910-H913 WeakPolarHBondContact O-CB 3.46Å; C910-H913 PolarHBondContact O-N 3.03Å; C910-M914 PolarHBondContact O-N 3.01Å; C910-P1062 HydrophobicContact CB-CG 4.33Å |
| 911 | G | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -70.3 | -37.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | H907 F908 L909 H913 M914 A915 | H907-G911 PolarHBondContact O-N 3.19Å; F908-G911 WeakPolarHBondContact O-CA 3.14Å; F908-G911 PolarHBondContact O-N 3.4Å; L909-G911 VanDerWaalsContact C-N 3.3Å; G911-H913 VanDerWaalsContact C-N 3.35Å; G911-M914 PolarHBondContact O-N 3.34Å; G911-A915 PolarHBondContact O-N 3.46Å |
| 912 | L | 90.7 | Very high | 86.7 | Confident | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 171.2 | -171.4 | 134 | 0 | 0 | 0 | 111.7 | I633 L720 Q721 F908 L909 M914 A915 S916 | I633-L912 HydrophobicContact CD1-CB 4.5Å; I633-L912 HydrophobicContact CD1-CD1 4.27Å; L720-L912 HydrophobicContact CB-CD1 4.38Å; L720-L912 HydrophobicContact CD2-CD1 3.38Å; Q721-L912 HydrophobicContact CB-CD1 4.25Å; Q721-L912 HydrophobicContact CB-CD2 3.93Å; F908-L912 HydrophobicContact CE1-CB 4.5Å; F908-L912 HydrophobicContact CE1-CD1 4.3Å; F908-L912 HydrophobicContact CZ-CD1 4.27Å; F908-L912 PolarHBondContact O-N 3.28Å; F908-L912 VanDerWaalsContact O-N 3.07Å; L909-L912 PolarHBondContact O-N 3.44Å; L912-M914 VanDerWaalsContact C-N 3.35Å; L912-M914 PolarHBondContact O-N 3.21Å; L912-A915 WeakPolarHBondContact O-CB 3.26Å; L912-A915 PolarHBondContact O-N 2.78Å; L912-A915 VanDerWaalsContact O-N 3.16Å; L912-S916 PolarHBondContact O-N 3.44Å; L912-S916 PolarHBondContact O-OG 3.16Å |
| 913 | H | 92.2 | Very high | 88.5 | Confident | 9 Ų | 9 | 11.9 Ų | 11.9 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 173 | -170.8 | -83.6 | 0 | 0 | 0 | 111.7 | L909 C910 G911 A915 S916 E917 Y1031 L1039 | L909-H913 WeakPolarHBondContact O-CB 3.42Å; L909-H913 PolarHBondContact O-N 2.94Å; C910-H913 WeakPolarHBondContact O-CB 3.46Å; C910-H913 PolarHBondContact O-N 3.03Å; G911-H913 VanDerWaalsContact C-N 3.35Å; H913-A915 VanDerWaalsContact C-N 3.31Å; H913-A915 PolarHBondContact O-N 2.88Å; H913-S916 WeakPolarHBondContact O-CB 3.35Å; H913-S916 PolarHBondContact O-N 2.69Å; H913-S916 VanDerWaalsContact O-N 3.14Å; H913-E917 IonicContact CE1-OE1 3.37Å; H913-E917 PolarHBondContact CE1-OE1 3.42Å; H913-E917 IonicContact ND1-OE1 2.73Å; H913-E917 PolarHBondContact ND1-OE1 3.36Å; H913-E917 WeakPolarHBondContact O-CG 3.48Å; H913-E917 PolarHBondContact O-N 2.86Å; H913-Y1031 AromaticContact CD2-CE1 3.82Å; H913-Y1031 AromaticContact CE1-CD1 3.71Å; H913-Y1031 AromaticContact CE1-CE1 3.49Å; H913-Y1031 VanDerWaalsContact CE1-CE1 3.49Å; H913-Y1031 WeakPolarHBondContact CE1-CE1 3.46Å; H913-Y1031 AromaticContact NE2-CD1 3.83Å; H913-Y1031 AromaticContact NE2-CE1 3.34Å; H913-Y1031 VanDerWaalsContact NE2-CE1 3.34Å; H913-Y1031 WeakPolarHBondContact NE2-CE1 3.43Å; H913-L1039 HydrophobicContact CB-CD2 3.97Å |
| 914 | M | 91.2 | Very high | 90 | Very high | 3 Ų | 3 | 6.9 Ų | 6.9 | 2% | 0.015 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 173.1 | 178.1 | 179.6 | -70.7 | 0 | 0 | 112.4 | L757 L761 I763 C910 G911 L912 S916 E917 L918 P1062 W1064 | L757-M914 HydrophobicContact CD2-CE 3.96Å; L757-M914 HydrophobicContact CD2-SD 3.99Å; L757-M914 HydrophobicContact CG-SD 4.37Å; L761-M914 HydrophobicContact CD1-CB 4.33Å; L761-M914 HydrophobicContact CD1-CG 4.02Å; L761-M914 HydrophobicContact CD1-SD 3.78Å; I763-M914 HydrophobicContact CD1-SD 4.21Å; C910-M914 PolarHBondContact O-N 3.01Å; G911-M914 PolarHBondContact O-N 3.34Å; L912-M914 VanDerWaalsContact C-N 3.35Å; L912-M914 PolarHBondContact O-N 3.21Å; M914-S916 VanDerWaalsContact C-N 3.32Å; M914-S916 PolarHBondContact O-N 2.99Å; M914-E917 WeakPolarHBondContact O-CB 3.15Å; M914-E917 PolarHBondContact O-N 3.16Å; M914-L918 PolarHBondContact O-N 2.98Å; M914-L918 VanDerWaalsContact O-N 3.13Å; M914-P1062 HydrophobicContact CE-CB 3.47Å; M914-P1062 VanDerWaalsContact CE-CB 3.47Å; M914-P1062 HydrophobicContact CE-CG 3.74Å; M914-W1064 HydrophobicContact CE-CB 4.24Å; M914-W1064 HydrophobicContact SD-CB 4.35Å |
| 915 | A | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I633 L637 L717 L761 G911 L912 H913 L918 V919 | I633-A915 HydrophobicContact CG2-CB 3.53Å; L637-A915 HydrophobicContact CD1-CB 3.98Å; L637-A915 HydrophobicContact CD2-CB 4.3Å; L637-A915 HydrophobicContact CG-CB 4.47Å; L717-A915 HydrophobicContact CD1-CB 4.19Å; L717-A915 HydrophobicContact CD2-CB 4.2Å; L761-A915 HydrophobicContact CD2-CB 4.34Å; G911-A915 PolarHBondContact O-N 3.46Å; L912-A915 WeakPolarHBondContact O-CB 3.26Å; L912-A915 PolarHBondContact O-N 2.78Å; L912-A915 VanDerWaalsContact O-N 3.16Å; H913-A915 VanDerWaalsContact C-N 3.31Å; H913-A915 PolarHBondContact O-N 2.88Å; A915-L918 PolarHBondContact O-N 3.45Å; A915-V919 PolarHBondContact O-N 3.15Å |
| 916 | S | 93.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 5.3 Ų | 5.3 | 6% | 0.056 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 173.8 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | L912 H913 M914 L918 V919 E920 Y1031 | L912-S916 PolarHBondContact O-N 3.44Å; L912-S916 PolarHBondContact O-OG 3.16Å; H913-S916 WeakPolarHBondContact O-CB 3.35Å; H913-S916 PolarHBondContact O-N 2.69Å; H913-S916 VanDerWaalsContact O-N 3.14Å; M914-S916 VanDerWaalsContact C-N 3.32Å; M914-S916 PolarHBondContact O-N 2.99Å; S916-L918 VanDerWaalsContact C-N 3.28Å; S916-L918 PolarHBondContact O-N 3.09Å; S916-V919 PolarHBondContact O-N 3.31Å; S916-V919 VanDerWaalsContact O-N 3.1Å; S916-E920 PolarHBondContact O-N 3.39Å; S916-Y1031 WeakPolarHBondContact CB-OH 3.48Å |
| 917 | E | 94.2 | Very high | 92 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.009 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 174.7 | -72.4 | 171.2 | -169.6 | 0 | 0 | 111.8 | H913 M914 V919 E920 F921 I1028 Y1031 R1032 | H913-E917 IonicContact CE1-OE1 3.37Å; H913-E917 PolarHBondContact CE1-OE1 3.42Å; H913-E917 IonicContact ND1-OE1 2.73Å; H913-E917 PolarHBondContact ND1-OE1 3.36Å; H913-E917 WeakPolarHBondContact O-CG 3.48Å; H913-E917 PolarHBondContact O-N 2.86Å; M914-E917 WeakPolarHBondContact O-CB 3.15Å; M914-E917 PolarHBondContact O-N 3.16Å; E917-V919 PolarHBondContact O-N 2.81Å; E917-E920 PolarHBondContact O-N 2.94Å; E917-F921 WeakPolarHBondContact O-CB 3.5Å; E917-F921 PolarHBondContact O-N 3.44Å; E917-I1028 HydrophobicContact CB-CD1 4.22Å; E917-I1028 HydrophobicContact CB-CG1 4.3Å; E917-I1028 HydrophobicContact CB-CG2 4.47Å; E917-I1028 HydrophobicContact CG-CG2 4.17Å; E917-Y1031 HydrophobicContact CG-CD1 3.86Å; E917-Y1031 HydrophobicContact CG-CE1 4.14Å; E917-R1032 VanDerWaalsContact CD-NE 3.34Å; E917-R1032 IonicContact OE1-CZ 2.79Å; E917-R1032 IonicContact OE1-NE 2.92Å; E917-R1032 PolarHBondContact OE1-NE 3.46Å; E917-R1032 IonicContact OE1-NH2 3.84Å; E917-R1032 PolarHBondContact OE1-NH2 3.05Å; E917-R1032 VanDerWaalsContact OE1-NH2 3.13Å; E917-R1032 IonicContact OE2-CZ 3.72Å; E917-R1032 IonicContact OE2-NE 3.89Å; E917-R1032 IonicContact OE2-NH2 3.28Å; E917-R1032 PolarHBondContact OE2-NH2 3.36Å |
| 918 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 176.1 | -72.3 | 175.6 | 0 | 0 | 0 | 112.6 | L637 I763 M914 A915 S916 F921 A922 V968 I971 P972 W1064 | L637-L918 HydrophobicContact CD1-CD1 4.37Å; I763-L918 HydrophobicContact CD1-CD1 3.44Å; I763-L918 VanDerWaalsContact CD1-CD1 3.44Å; I763-L918 HydrophobicContact CD1-CG 4.37Å; I763-L918 HydrophobicContact CG1-CD1 3.99Å; M914-L918 PolarHBondContact O-N 2.98Å; M914-L918 VanDerWaalsContact O-N 3.13Å; A915-L918 PolarHBondContact O-N 3.45Å; S916-L918 VanDerWaalsContact C-N 3.28Å; S916-L918 PolarHBondContact O-N 3.09Å; L918-F921 PolarHBondContact O-N 3.13Å; L918-A922 WeakPolarHBondContact O-CB 3.48Å; L918-A922 PolarHBondContact O-N 3.29Å; L918-V968 HydrophobicContact CB-CG1 3.56Å; L918-I971 WeakPolarHBondContact O-CD1 3.45Å; L918-P972 HydrophobicContact CD2-CG 3.86Å; L918-W1064 HydrophobicContact CD2-CD2 4.07Å; L918-W1064 HydrophobicContact CD2-CE3 4.32Å; L918-W1064 HydrophobicContact CD2-CH2 3.81Å; L918-W1064 HydrophobicContact CD2-CZ2 3.51Å; L918-W1064 HydrophobicContact CD2-CZ3 4.18Å |
| 919 | V | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.1 | -39.7 | 178 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | L637 L710 R713 L714 L717 A915 S916 E917 A922 K923 V968 | L637-V919 HydrophobicContact CD2-CG2 3.44Å; L637-V919 VanDerWaalsContact CD2-CG2 3.44Å; L710-V919 HydrophobicContact CB-CG1 4.2Å; L710-V919 HydrophobicContact CD2-CG1 4.2Å; L710-V919 VanDerWaalsContact O-CG1 3.26Å; L710-V919 WeakPolarHBondContact O-CG1 3.43Å; R713-V919 HydrophobicContact CB-CG1 4.05Å; R713-V919 HydrophobicContact CB-CG2 4.3Å; L714-V919 HydrophobicContact CD1-CG1 4.24Å; L714-V919 HydrophobicContact CD2-CB 3.83Å; L714-V919 HydrophobicContact CD2-CG1 3.93Å; L714-V919 HydrophobicContact CG-CB 4.17Å; L714-V919 HydrophobicContact CG-CG1 3.68Å; L717-V919 HydrophobicContact CD1-CG2 4.06Å; A915-V919 PolarHBondContact O-N 3.15Å; S916-V919 PolarHBondContact O-N 3.31Å; S916-V919 VanDerWaalsContact O-N 3.1Å; E917-V919 PolarHBondContact O-N 2.81Å; V919-A922 VanDerWaalsContact O-CB 3.3Å; V919-A922 WeakPolarHBondContact O-CB 3.34Å; V919-A922 PolarHBondContact O-N 3.16Å; V919-K923 HydrophobicContact CG1-CD 4.38Å; V919-K923 WeakPolarHBondContact O-CG 3.06Å; V919-K923 PolarHBondContact O-N 3.09Å; V919-V968 HydrophobicContact CG2-CG1 4.05Å; V919-V968 HydrophobicContact CG2-CG2 4.41Å |
| 920 | E | 94.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 15 Ų | 15 | 10% | 0.103 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 174.7 | -74.2 | -62.8 | 171.6 | 0 | 0 | 112.4 | L714 S916 E917 A922 K923 A924 E1027 Y1031 | L714-E920 HydrophobicContact CD1-CG 4.31Å; L714-E920 WeakPolarHBondContact CD1-OE1 3.21Å; L714-E920 HydrophobicContact CD2-CG 4.28Å; S916-E920 PolarHBondContact O-N 3.39Å; E917-E920 PolarHBondContact O-N 2.94Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 2.89Å; E920-K923 WeakPolarHBondContact O-CB 3.4Å; E920-K923 PolarHBondContact O-N 3.31Å; E920-K923 IonicContact OE1-NZ 2.78Å; E920-K923 PolarHBondContact OE1-NZ 2.74Å; E920-K923 WeakPolarHBondContact OE2-CD 3.37Å; E920-K923 WeakPolarHBondContact OE2-CE 3.46Å; E920-K923 IonicContact OE2-NZ 2.91Å; E920-K923 PolarHBondContact OE2-NZ 3.22Å; E920-A924 PolarHBondContact O-N 2.94Å; E920-E1027 HydrophobicContact CB-CG 4.29Å; E920-Y1031 HydrophobicContact CG-CD2 3.76Å; E920-Y1031 HydrophobicContact CG-CE2 4.14Å; E920-Y1031 HydrophobicContact CG-CG 4.2Å |
| 921 | F | 96 | Very high | 91.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 171.3 | -163 | -87.1 | 0 | 0 | 0 | 111.2 | E917 L918 K923 A924 L925 I971 V975 G1024 V1025 I1028 W1064 | E917-F921 WeakPolarHBondContact O-CB 3.5Å; E917-F921 PolarHBondContact O-N 3.44Å; L918-F921 PolarHBondContact O-N 3.13Å; F921-K923 VanDerWaalsContact C-N 3.3Å; F921-K923 PolarHBondContact O-N 2.89Å; F921-A924 PolarHBondContact O-N 3.18Å; F921-L925 HydrophobicContact CD1-CD1 3.61Å; F921-L925 HydrophobicContact CD1-CD2 4.44Å; F921-L925 HydrophobicContact CD1-CG 3.79Å; F921-L925 HydrophobicContact CE1-CD1 3.57Å; F921-L925 HydrophobicContact CE1-CD2 3.96Å; F921-L925 HydrophobicContact CE1-CG 3.78Å; F921-L925 WeakPolarHBondContact O-CG 3.24Å; F921-L925 PolarHBondContact O-N 3.06Å; F921-I971 HydrophobicContact CD1-CG2 3.3Å; F921-I971 HydrophobicContact CE1-CG2 3.63Å; F921-I971 HydrophobicContact CG-CG2 4.21Å; F921-V975 HydrophobicContact CE1-CG2 4Å; F921-V975 HydrophobicContact CZ-CG2 4.03Å; F921-G1024 VanDerWaalsContact CD2-CA 3.43Å; F921-G1024 VanDerWaalsContact CD2-O 3.29Å; F921-G1024 WeakPolarHBondContact CD2-O 3.48Å; F921-G1024 VanDerWaalsContact CE2-CA 3.46Å; F921-V1025 HydrophobicContact CE2-CG2 4.01Å; F921-I1028 HydrophobicContact CB-CD1 3.99Å; F921-I1028 HydrophobicContact CB-CG1 4.41Å; F921-I1028 HydrophobicContact CD2-CD1 3.56Å; F921-I1028 HydrophobicContact CD2-CG1 4.2Å; F921-I1028 HydrophobicContact CE2-CD1 4.48Å; F921-I1028 HydrophobicContact CG-CD1 4.22Å; F921-W1064 HydrophobicContact CB-CZ2 4.47Å; F921-W1064 HydrophobicContact CD1-CH2 4.46Å; F921-W1064 HydrophobicContact CD2-CH2 4.2Å; F921-W1064 HydrophobicContact CD2-CZ2 4.25Å; F921-W1064 HydrophobicContact CE2-CH2 4.37Å; F921-W1064 HydrophobicContact CG-CH2 4.24Å; F921-W1064 HydrophobicContact CG-CZ2 4.35Å |
| 922 | A | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L710 L918 V919 E920 L925 Q926 V968 I971 | L710-A922 HydrophobicContact CD1-CB 3.98Å; L710-A922 HydrophobicContact CD2-CB 3.84Å; L918-A922 WeakPolarHBondContact O-CB 3.48Å; L918-A922 PolarHBondContact O-N 3.29Å; V919-A922 VanDerWaalsContact O-CB 3.3Å; V919-A922 WeakPolarHBondContact O-CB 3.34Å; V919-A922 PolarHBondContact O-N 3.16Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 2.89Å; A922-L925 PolarHBondContact O-N 3.47Å; A922-Q926 VanDerWaalsContact O-CB 3.29Å; A922-Q926 WeakPolarHBondContact O-CB 3.4Å; A922-Q926 PolarHBondContact O-N 3.29Å; A922-V968 HydrophobicContact CB-CG2 4.43Å; A922-I971 HydrophobicContact CB-CD1 3.31Å |
| 923 | K | 93.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 178.1 | -74 | 167 | 62.6 | -156.3 | 0 | 111 | M707 L710 L714 V919 E920 F921 Q926 M927 | M707-K923 HydrophobicContact CE-CB 4.14Å; M707-K923 HydrophobicContact CE-CG 4.42Å; M707-K923 HydrophobicContact SD-CB 4.19Å; M707-K923 HydrophobicContact SD-CG 4.17Å; L710-K923 HydrophobicContact CB-CD 4.07Å; L710-K923 HydrophobicContact CB-CG 3.44Å; L710-K923 VanDerWaalsContact CB-CG 3.44Å; L710-K923 HydrophobicContact CD1-CB 4.49Å; L710-K923 HydrophobicContact CD1-CG 3.85Å; L710-K923 HydrophobicContact CG-CG 4.24Å; L714-K923 HydrophobicContact CD1-CD 3.64Å; L714-K923 VanDerWaalsContact CD1-NZ 3.3Å; V919-K923 HydrophobicContact CG1-CD 4.38Å; V919-K923 WeakPolarHBondContact O-CG 3.06Å; V919-K923 PolarHBondContact O-N 3.09Å; E920-K923 WeakPolarHBondContact O-CB 3.4Å; E920-K923 PolarHBondContact O-N 3.31Å; E920-K923 IonicContact OE1-NZ 2.78Å; E920-K923 PolarHBondContact OE1-NZ 2.74Å; E920-K923 WeakPolarHBondContact OE2-CD 3.37Å; E920-K923 WeakPolarHBondContact OE2-CE 3.46Å; E920-K923 IonicContact OE2-NZ 2.91Å; E920-K923 PolarHBondContact OE2-NZ 3.22Å; F921-K923 VanDerWaalsContact C-N 3.3Å; F921-K923 PolarHBondContact O-N 2.89Å; K923-Q926 PolarHBondContact O-N 3.03Å; K923-M927 WeakPolarHBondContact O-CB 3.46Å; K923-M927 WeakPolarHBondContact O-CG 3.48Å; K923-M927 PolarHBondContact O-N 2.64Å |
| 924 | A | 93.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E920 F921 Q926 M927 K928 E1027 | E920-A924 PolarHBondContact O-N 2.94Å; F921-A924 PolarHBondContact O-N 3.18Å; A924-Q926 PolarHBondContact O-N 2.95Å; A924-M927 PolarHBondContact O-N 3.26Å; A924-K928 VanDerWaalsContact O-CB 3.31Å; A924-K928 WeakPolarHBondContact O-CB 3.41Å; A924-K928 PolarHBondContact O-N 2.98Å; A924-E1027 HydrophobicContact CB-CB 3.84Å; A924-E1027 HydrophobicContact CB-CG 4.16Å |
| 925 | L | 92.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 173.9 | -69.2 | -177.9 | 0 | 0 | 0 | 111.7 | F921 A922 M927 K928 L929 L965 I971 L974 L1020 | F921-L925 HydrophobicContact CD1-CD1 3.61Å; F921-L925 HydrophobicContact CD1-CD2 4.44Å; F921-L925 HydrophobicContact CD1-CG 3.79Å; F921-L925 HydrophobicContact CE1-CD1 3.57Å; F921-L925 HydrophobicContact CE1-CD2 3.96Å; F921-L925 HydrophobicContact CE1-CG 3.78Å; F921-L925 WeakPolarHBondContact O-CG 3.24Å; F921-L925 PolarHBondContact O-N 3.06Å; A922-L925 PolarHBondContact O-N 3.47Å; L925-M927 VanDerWaalsContact C-N 3.35Å; L925-M927 PolarHBondContact O-N 3.21Å; L925-K928 PolarHBondContact O-N 2.82Å; L925-L929 WeakPolarHBondContact O-CB 3.5Å; L925-L929 WeakPolarHBondContact O-CD1 3.47Å; L925-L929 VanDerWaalsContact O-CG 3.23Å; L925-L929 WeakPolarHBondContact O-CG 3.27Å; L925-L929 PolarHBondContact O-N 3.09Å; L925-L965 HydrophobicContact CB-CD2 3.98Å; L925-L965 HydrophobicContact CD1-CD2 3.84Å; L925-I971 HydrophobicContact CD1-CG2 4.49Å; L925-L974 HydrophobicContact CD1-CD2 4.25Å; L925-L1020 HydrophobicContact CB-CD1 4.47Å; L925-L1020 HydrophobicContact CD2-CD1 3.45Å; L925-L1020 VanDerWaalsContact CD2-CD1 3.45Å; L925-L1020 HydrophobicContact CD2-CD2 4.24Å; L925-L1020 HydrophobicContact CD2-CG 3.49Å; L925-L1020 VanDerWaalsContact CD2-CG 3.49Å; L925-L1020 WeakPolarHBondContact CD2-O 2.91Å |
| 926 | Q | 91.2 | Very high | 89.5 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | -179.3 | -176.1 | 70.2 | 52.2 | 0 | 0 | 111.6 | P706 L710 A922 K923 A924 A930 L965 | P706-Q926 HydrophobicContact CB-CG 4.39Å; L710-Q926 HydrophobicContact CD1-CB 4.27Å; A922-Q926 VanDerWaalsContact O-CB 3.29Å; A922-Q926 WeakPolarHBondContact O-CB 3.4Å; A922-Q926 PolarHBondContact O-N 3.29Å; K923-Q926 PolarHBondContact O-N 3.03Å; A924-Q926 PolarHBondContact O-N 2.95Å; Q926-A930 VanDerWaalsContact O-CB 3.22Å; Q926-A930 WeakPolarHBondContact O-CB 3.45Å; Q926-A930 PolarHBondContact O-N 3.32Å; Q926-L965 HydrophobicContact CB-CD1 4.44Å |
| 927 | M | 89.6 | Confident | 89.2 | Confident | 76 Ų | 76 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.3 | -75 | -171.7 | -70.7 | 0 | 0 | 111.9 | M707 K923 A924 L925 A930 K931 | M707-M927 HydrophobicContact CE-CE 3.91Å; M707-M927 HydrophobicContact CE-CG 3.25Å; M707-M927 HydrophobicContact CE-SD 3.31Å; M707-M927 WeakPolarHBondContact CE-SD 3.46Å; M707-M927 HydrophobicContact SD-CG 3.95Å; K923-M927 WeakPolarHBondContact O-CB 3.46Å; K923-M927 WeakPolarHBondContact O-CG 3.48Å; K923-M927 PolarHBondContact O-N 2.64Å; A924-M927 PolarHBondContact O-N 3.26Å; L925-M927 VanDerWaalsContact C-N 3.35Å; L925-M927 PolarHBondContact O-N 3.21Å; M927-A930 PolarHBondContact O-N 3.33Å; M927-K931 WeakPolarHBondContact O-CG 3.42Å; M927-K931 PolarHBondContact O-N 3.33Å |
| 928 | K | 90 | Very high | 88.8 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -47.6 | -179.3 | -168.9 | 69.7 | 179.1 | 178.6 | 0 | 111 | A924 L925 A930 K931 E932 R1019 L1020 A1023 | A924-K928 VanDerWaalsContact O-CB 3.31Å; A924-K928 WeakPolarHBondContact O-CB 3.41Å; A924-K928 PolarHBondContact O-N 2.98Å; L925-K928 PolarHBondContact O-N 2.82Å; K928-A930 VanDerWaalsContact C-N 3.31Å; K928-A930 PolarHBondContact O-N 2.94Å; K928-K931 PolarHBondContact O-N 3.49Å; K928-K931 VanDerWaalsContact O-N 3.15Å; K928-E932 WeakPolarHBondContact CE-OE2 3.34Å; K928-E932 IonicContact NZ-OE2 3.18Å; K928-E932 PolarHBondContact NZ-OE2 2.95Å; K928-E932 PolarHBondContact O-N 3.08Å; K928-R1019 VanDerWaalsContact NZ-NE 3.18Å; K928-R1019 VanDerWaalsContact NZ-NH2 3.19Å; K928-L1020 HydrophobicContact CB-CD1 4.03Å; K928-L1020 HydrophobicContact CG-CD1 4.03Å; K928-A1023 HydrophobicContact CB-CB 4.47Å; K928-A1023 HydrophobicContact CD-CB 4.23Å; K928-A1023 HydrophobicContact CG-CB 4.27Å |
| 929 | L | 89.7 | Confident | 88.6 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -32.3 | 177.4 | -69.3 | 164.8 | 0 | 0 | 0 | 112.8 | L925 K931 E932 Y937 F941 Q961 L965 L1020 | L925-L929 WeakPolarHBondContact O-CB 3.5Å; L925-L929 WeakPolarHBondContact O-CD1 3.47Å; L925-L929 VanDerWaalsContact O-CG 3.23Å; L925-L929 WeakPolarHBondContact O-CG 3.27Å; L925-L929 PolarHBondContact O-N 3.09Å; L929-K931 VanDerWaalsContact C-N 3.33Å; L929-E932 CarbonylContact O-C 3.45Å; L929-Y937 HydrophobicContact CD2-CD2 3.38Å; L929-Y937 HydrophobicContact CD2-CE2 3.46Å; L929-Y937 VanDerWaalsContact CD2-CE2 3.46Å; L929-Y937 HydrophobicContact CD2-CG 4.42Å; L929-F941 HydrophobicContact CD1-CE2 4.23Å; L929-F941 HydrophobicContact CD1-CZ 3.83Å; L929-Q961 HydrophobicContact CD1-CG 4.46Å; L929-L965 HydrophobicContact CD1-CD1 3.8Å; L929-L1020 HydrophobicContact CD1-CD1 4.33Å; L929-L1020 HydrophobicContact CD2-CD1 4.07Å; L929-L1020 HydrophobicContact CD2-CD2 4.07Å; L929-L1020 HydrophobicContact CG-CD1 3.82Å; L929-L1020 HydrophobicContact CG-CD2 4.48Å |
| 930 | A | 85.6 | Confident | 88.4 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.8 | -32.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q926 M927 K928 | Q926-A930 VanDerWaalsContact O-CB 3.22Å; Q926-A930 WeakPolarHBondContact O-CB 3.45Å; Q926-A930 PolarHBondContact O-N 3.32Å; M927-A930 PolarHBondContact O-N 3.33Å; K928-A930 VanDerWaalsContact C-N 3.31Å; K928-A930 PolarHBondContact O-N 2.94Å |
| 931 | K | 86.4 | Confident | 88.4 | Confident | 169 Ų | 169 | 48.3 Ų | 48.3 | 74% | 0.735 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -78 | -38.2 | 175.8 | -71.3 | 175.9 | -179.2 | -180 | 0 | 112.1 | M927 K928 L929 | M927-K931 WeakPolarHBondContact O-CG 3.42Å; M927-K931 PolarHBondContact O-N 3.33Å; K928-K931 PolarHBondContact O-N 3.49Å; K928-K931 VanDerWaalsContact O-N 3.15Å; L929-K931 VanDerWaalsContact C-N 3.33Å |
| 932 | E | 83.9 | Confident | 88.2 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -133.6 | 76.2 | -171.3 | -64.6 | 174.8 | 161.6 | 0 | 0 | 110.7 | K928 L929 Q934 R1019 | K928-E932 WeakPolarHBondContact CE-OE2 3.34Å; K928-E932 IonicContact NZ-OE2 3.18Å; K928-E932 PolarHBondContact NZ-OE2 2.95Å; K928-E932 PolarHBondContact O-N 3.08Å; L929-E932 CarbonylContact O-C 3.45Å; E932-Q934 PolarHBondContact O-N 2.91Å; E932-R1019 VanDerWaalsContact CD-CZ 3.48Å; E932-R1019 IonicContact OE1-CZ 2.64Å; E932-R1019 IonicContact OE1-NH1 2.69Å; E932-R1019 PolarHBondContact OE1-NH1 3.13Å; E932-R1019 IonicContact OE1-NH2 3.35Å; E932-R1019 PolarHBondContact OE1-NH2 3.46Å; E932-R1019 IonicContact OE2-CZ 3.01Å; E932-R1019 IonicContact OE2-NE 3.91Å; E932-R1019 IonicContact OE2-NH1 3.12Å; E932-R1019 PolarHBondContact OE2-NH1 3.47Å; E932-R1019 IonicContact OE2-NH2 3.69Å; E932-R1019 PolarHBondContact OE2-NH2 3.11Å |
| 933 | P | 80.6 | Confident | 88 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | trans | -71 | 125.8 | 178.3 | 28.6 | -33.4 | 0 | 0 | 0 | 110.4 | ||||
| 934 | Q | 80.4 | Confident | 87.9 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | trans | -122.1 | 133.1 | 175.1 | -62.4 | -70.3 | -10.4 | 0 | 0 | 110.2 | E932 L936 Y937 H1016 | E932-Q934 PolarHBondContact O-N 2.91Å; Q934-L936 PolarHBondContact O-N 3.41Å; Q934-Y937 HydrophobicContact CB-CD2 3.72Å; Q934-Y937 HydrophobicContact CB-CE2 3.46Å; Q934-Y937 VanDerWaalsContact CB-CE2 3.46Å; Q934-Y937 HydrophobicContact CB-CG 4.38Å; Q934-Y937 HydrophobicContact CG-CE2 3.78Å; Q934-H1016 PolarHBondContact NE2-NE2 3.44Å; Q934-H1016 VanDerWaalsContact NE2-NE2 3.19Å | ||
| 935 | S | 80 | Confident | 87.8 | Confident | 104 Ų | 104 | 53.3 Ų | 53.3 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -25.7 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | Y937 Q938 | S935-Y937 PolarHBondContact O-N 2.78Å; S935-Q938 VanDerWaalsContact O-CB 3.25Å; S935-Q938 WeakPolarHBondContact O-CB 3.4Å; S935-Q938 PolarHBondContact O-N 2.91Å; S935-Q938 VanDerWaalsContact O-N 3.1Å |
| 936 | L | 79.9 | Confident | 87.6 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.3 | -179.5 | -64 | 170.9 | 0 | 0 | 0 | 113 | Q934 Q938 S939 F1013 | Q934-L936 PolarHBondContact O-N 3.41Å; L936-Q938 VanDerWaalsContact C-N 3.27Å; L936-Q938 PolarHBondContact O-N 3.42Å; L936-S939 PolarHBondContact O-OG 3.33Å; L936-F1013 HydrophobicContact CB-CD2 3.77Å; L936-F1013 HydrophobicContact CB-CE2 3.92Å; L936-F1013 HydrophobicContact CD1-CD2 4.17Å; L936-F1013 HydrophobicContact CG-CD2 4.47Å |
| 937 | Y | 87.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73 | -21.7 | 180 | -50.9 | -43.9 | 0 | 0 | 0 | 113.1 | L929 Q934 S935 S939 V940 F941 F978 F1013 H1016 I1017 L1020 | L929-Y937 HydrophobicContact CD2-CD2 3.38Å; L929-Y937 HydrophobicContact CD2-CE2 3.46Å; L929-Y937 VanDerWaalsContact CD2-CE2 3.46Å; L929-Y937 HydrophobicContact CD2-CG 4.42Å; Q934-Y937 HydrophobicContact CB-CD2 3.72Å; Q934-Y937 HydrophobicContact CB-CE2 3.46Å; Q934-Y937 VanDerWaalsContact CB-CE2 3.46Å; Q934-Y937 HydrophobicContact CB-CG 4.38Å; Q934-Y937 HydrophobicContact CG-CE2 3.78Å; S935-Y937 PolarHBondContact O-N 2.78Å; Y937-S939 VanDerWaalsContact C-N 3.3Å; Y937-S939 PolarHBondContact O-N 3.14Å; Y937-V940 PolarHBondContact O-N 3.04Å; Y937-V940 VanDerWaalsContact O-N 3.17Å; Y937-F941 VanDerWaalsContact O-CD2 3.22Å; Y937-F941 WeakPolarHBondContact O-CD2 3.35Å; Y937-F941 PolarHBondContact O-N 3.47Å; Y937-F978 HydrophobicContact CD1-CE1 4.09Å; Y937-F978 HydrophobicContact CD1-CZ 4.39Å; Y937-F1013 HydrophobicContact CD1-CE2 4.43Å; Y937-H1016 HydrophobicContact CE1-CB 4.05Å; Y937-H1016 WeakPolarHBondContact OH-CB 3.25Å; Y937-H1016 PolarHBondContact OH-O 2.93Å; Y937-I1017 HydrophobicContact CE1-CG1 4.28Å; Y937-L1020 HydrophobicContact CE1-CD2 4.38Å; Y937-L1020 HydrophobicContact CE2-CD2 4.38Å |
| 938 | Q | 86.5 | Confident | 87.1 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -33.9 | -168 | -172.5 | 61.8 | 31.2 | 0 | 0 | 112.7 | S935 L936 N942 S960 | S935-Q938 VanDerWaalsContact O-CB 3.25Å; S935-Q938 WeakPolarHBondContact O-CB 3.4Å; S935-Q938 PolarHBondContact O-N 2.91Å; S935-Q938 VanDerWaalsContact O-N 3.1Å; L936-Q938 VanDerWaalsContact C-N 3.27Å; L936-Q938 PolarHBondContact O-N 3.42Å; Q938-N942 PolarHBondContact NE2-OD1 3.38Å; Q938-N942 WeakPolarHBondContact O-CB 3.28Å; Q938-N942 PolarHBondContact O-N 3.04Å; Q938-N942 PolarHBondContact O-ND2 3.33Å; Q938-N942 PolarHBondContact O-OD1 3.28Å; Q938-S960 PolarHBondContact NE2-OG 3.47Å |
| 939 | S | 88.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.7 | 54 | 0 | 0 | 0 | 0 | 111.3 | L936 Y937 N942 E943 | L936-S939 PolarHBondContact O-OG 3.33Å; Y937-S939 VanDerWaalsContact C-N 3.3Å; Y937-S939 PolarHBondContact O-N 3.14Å; S939-N942 WeakPolarHBondContact O-CB 3.36Å; S939-N942 PolarHBondContact O-N 3.06Å; S939-E943 PolarHBondContact O-N 2.77Å |
| 940 | V | 91.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | Y937 N942 E943 V944 L974 T977 F978 T981 F1013 | Y937-V940 PolarHBondContact O-N 3.04Å; Y937-V940 VanDerWaalsContact O-N 3.17Å; V940-N942 VanDerWaalsContact C-N 3.28Å; V940-N942 PolarHBondContact O-N 2.85Å; V940-E943 PolarHBondContact O-N 3.44Å; V940-V944 HydrophobicContact CG1-CG2 4.38Å; V940-V944 VanDerWaalsContact O-CG2 3.29Å; V940-V944 WeakPolarHBondContact O-CG2 3.36Å; V940-V944 PolarHBondContact O-N 3.01Å; V940-L974 HydrophobicContact CG1-CD1 4.24Å; V940-T977 HydrophobicContact CG1-CG2 3.78Å; V940-F978 HydrophobicContact CB-CD1 3.82Å; V940-F978 HydrophobicContact CB-CE1 3.6Å; V940-F978 HydrophobicContact CB-CZ 4.48Å; V940-F978 HydrophobicContact CG1-CD1 3.54Å; V940-F978 HydrophobicContact CG1-CE1 3.69Å; V940-F978 HydrophobicContact CG1-CG 4.1Å; V940-F978 HydrophobicContact CG1-CZ 4.39Å; V940-F978 HydrophobicContact CG2-CD1 3.78Å; V940-F978 HydrophobicContact CG2-CE1 3.86Å; V940-T981 HydrophobicContact CG2-CG2 3.96Å; V940-F1013 HydrophobicContact CG2-CZ 4.18Å |
| 941 | F | 93.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -41 | 174.4 | -82.6 | -70.1 | 0 | 0 | 0 | 111.9 | L929 Y937 A945 Q961 V964 L965 L974 F978 | L929-F941 HydrophobicContact CD1-CE2 4.23Å; L929-F941 HydrophobicContact CD1-CZ 3.83Å; Y937-F941 VanDerWaalsContact O-CD2 3.22Å; Y937-F941 WeakPolarHBondContact O-CD2 3.35Å; Y937-F941 PolarHBondContact O-N 3.47Å; F941-A945 VanDerWaalsContact O-CB 3.31Å; F941-A945 WeakPolarHBondContact O-CB 3.49Å; F941-A945 PolarHBondContact O-N 3.46Å; F941-Q961 HydrophobicContact CD1-CB 4.37Å; F941-Q961 HydrophobicContact CD2-CB 4.48Å; F941-Q961 HydrophobicContact CE1-CG 4.26Å; F941-Q961 HydrophobicContact CE2-CG 4.34Å; F941-Q961 HydrophobicContact CG-CB 4.34Å; F941-Q961 HydrophobicContact CZ-CG 4.17Å; F941-V964 HydrophobicContact CD1-CB 3.77Å; F941-V964 HydrophobicContact CD1-CG1 4.1Å; F941-V964 HydrophobicContact CD1-CG2 3.98Å; F941-V964 HydrophobicContact CE1-CB 4.06Å; F941-V964 HydrophobicContact CE1-CG1 4.09Å; F941-L965 HydrophobicContact CE1-CD2 4.35Å; F941-L965 HydrophobicContact CE1-CG 4.21Å; F941-L974 HydrophobicContact CD1-CD1 3.88Å; F941-L974 HydrophobicContact CD1-CD2 4.41Å; F941-L974 HydrophobicContact CE1-CD1 3.81Å; F941-L974 HydrophobicContact CE1-CD2 3.56Å; F941-L974 HydrophobicContact CE1-CG 4.35Å; F941-L974 HydrophobicContact CG-CD1 4.41Å; F941-L974 HydrophobicContact CZ-CD1 4.26Å; F941-L974 HydrophobicContact CZ-CD2 3.89Å; F941-F978 HydrophobicContact CE2-CZ 4.09Å; F941-F978 HydrophobicContact CZ-CZ 4.37Å |
| 942 | N | 91.6 | Very high | 86.5 | Confident | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.3 | -73.3 | -13.8 | 0 | 0 | 0 | 111.7 | Q938 S939 V940 A945 M946 S960 | Q938-N942 PolarHBondContact NE2-OD1 3.38Å; Q938-N942 WeakPolarHBondContact O-CB 3.28Å; Q938-N942 PolarHBondContact O-N 3.04Å; Q938-N942 PolarHBondContact O-ND2 3.33Å; Q938-N942 PolarHBondContact O-OD1 3.28Å; S939-N942 WeakPolarHBondContact O-CB 3.36Å; S939-N942 PolarHBondContact O-N 3.06Å; V940-N942 VanDerWaalsContact C-N 3.28Å; V940-N942 PolarHBondContact O-N 2.85Å; N942-A945 PolarHBondContact O-N 2.91Å; N942-M946 WeakPolarHBondContact O-CB 3.49Å; N942-M946 VanDerWaalsContact O-CG 3.29Å; N942-M946 WeakPolarHBondContact O-CG 3.06Å; N942-M946 PolarHBondContact O-N 2.91Å; N942-S960 WeakPolarHBondContact OD1-CB 3.36Å; N942-S960 PolarHBondContact OD1-OG 2.92Å |
| 943 | E | 91.9 | Very high | 86.5 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 178.6 | -173.6 | -172.9 | 157 | 0 | 0 | 111.5 | S939 V940 A945 M946 N947 T977 | S939-E943 PolarHBondContact O-N 2.77Å; V940-E943 PolarHBondContact O-N 3.44Å; E943-A945 VanDerWaalsContact C-N 3.34Å; E943-A945 PolarHBondContact O-N 3.44Å; E943-M946 PolarHBondContact O-N 2.75Å; E943-N947 WeakPolarHBondContact O-CB 3.41Å; E943-N947 PolarHBondContact O-N 2.84Å; E943-N947 PolarHBondContact O-ND2 2.99Å; E943-T977 HydrophobicContact CG-CG2 4.38Å |
| 944 | V | 91.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 111 | V940 N947 A948 V964 L970 L974 T977 | V940-V944 HydrophobicContact CG1-CG2 4.38Å; V940-V944 VanDerWaalsContact O-CG2 3.29Å; V940-V944 WeakPolarHBondContact O-CG2 3.36Å; V940-V944 PolarHBondContact O-N 3.01Å; V944-N947 PolarHBondContact O-N 3.15Å; V944-A948 WeakPolarHBondContact O-CB 3.5Å; V944-A948 PolarHBondContact O-N 2.94Å; V944-V964 HydrophobicContact CB-CG2 4.11Å; V944-V964 HydrophobicContact CG1-CG1 4.12Å; V944-V964 HydrophobicContact CG1-CG2 3.89Å; V944-L970 HydrophobicContact CG1-CB 4.36Å; V944-L974 HydrophobicContact CG2-CD1 4.06Å; V944-T977 HydrophobicContact CG2-CG2 4.04Å |
| 945 | A | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F941 N942 E943 A948 G949 F950 L955 V963 V964 | F941-A945 VanDerWaalsContact O-CB 3.31Å; F941-A945 WeakPolarHBondContact O-CB 3.49Å; F941-A945 PolarHBondContact O-N 3.46Å; N942-A945 PolarHBondContact O-N 2.91Å; E943-A945 VanDerWaalsContact C-N 3.34Å; E943-A945 PolarHBondContact O-N 3.44Å; A945-A948 PolarHBondContact O-N 3.47Å; A945-G949 PolarHBondContact O-N 2.95Å; A945-F950 HydrophobicContact CB-CB 4.37Å; A945-F950 WeakPolarHBondContact O-CB 3.37Å; A945-F950 WeakPolarHBondContact O-CD2 3.33Å; A945-F950 PolarHBondContact O-N 3.21Å; A945-L955 HydrophobicContact CB-CD1 4.23Å; A945-L955 HydrophobicContact CB-CD2 3.83Å; A945-V963 HydrophobicContact CB-CG1 4.2Å; A945-V964 HydrophobicContact CB-CG2 4.16Å |
| 946 | M | 88.7 | Confident | 87.2 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.9 | -73.9 | -175.1 | -179.1 | 0 | 0 | 111.9 | N942 E943 A948 G949 L955 | N942-M946 WeakPolarHBondContact O-CB 3.49Å; N942-M946 VanDerWaalsContact O-CG 3.29Å; N942-M946 WeakPolarHBondContact O-CG 3.06Å; N942-M946 PolarHBondContact O-N 2.91Å; E943-M946 PolarHBondContact O-N 2.75Å; M946-A948 PolarHBondContact O-N 2.73Å; M946-G949 PolarHBondContact O-N 2.92Å; M946-L955 HydrophobicContact CE-CD1 4.01Å; M946-L955 HydrophobicContact CG-CD1 3.87Å |
| 947 | N | 86.1 | Confident | 87.5 | Confident | 107 Ų | 107 | 48.4 Ų | 48.4 | 57% | 0.572 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.7 | -25.2 | 175.3 | -72.2 | -21.7 | 0 | 0 | 0 | 112.7 | E943 V944 G949 | E943-N947 WeakPolarHBondContact O-CB 3.41Å; E943-N947 PolarHBondContact O-N 2.84Å; E943-N947 PolarHBondContact O-ND2 2.99Å; V944-N947 PolarHBondContact O-N 3.15Å; N947-G949 VanDerWaalsContact C-N 3.27Å |
| 948 | A | 85 | Confident | 87.3 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y668 V944 A945 M946 F950 L970 | Y668-A948 HydrophobicContact CD2-CB 3.82Å; Y668-A948 HydrophobicContact CE2-CB 4.28Å; Y668-A948 HydrophobicContact CG-CB 4.19Å; V944-A948 WeakPolarHBondContact O-CB 3.5Å; V944-A948 PolarHBondContact O-N 2.94Å; A945-A948 PolarHBondContact O-N 3.47Å; M946-A948 PolarHBondContact O-N 2.73Å; A948-F950 HydrophobicContact CB-CD2 4.08Å; A948-F950 HydrophobicContact CB-CE2 4.26Å; A948-L970 HydrophobicContact CB-CD1 3.7Å; A948-L970 HydrophobicContact CB-CD2 3.84Å; A948-L970 HydrophobicContact CB-CG 4.45Å |
| 949 | G | 84.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -0.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | A945 M946 N947 T951 | A945-G949 PolarHBondContact O-N 2.95Å; M946-G949 PolarHBondContact O-N 2.92Å; N947-G949 VanDerWaalsContact C-N 3.27Å; G949-T951 PolarHBondContact O-N 2.95Å; G949-T951 VanDerWaalsContact O-N 3.15Å |
| 950 | F | 85.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | trans | -76.9 | 105.2 | 178.6 | -66.3 | -97.4 | 0 | 0 | 0 | 111 | W647 L650 L669 A945 A948 L955 V963 | W647-F950 HydrophobicContact CH2-CE1 4.47Å; W647-F950 HydrophobicContact CZ3-CE1 4.19Å; L650-F950 HydrophobicContact CD2-CD1 4.36Å; L650-F950 HydrophobicContact CD2-CE1 3.84Å; L669-F950 HydrophobicContact CD2-CD1 3.87Å; L669-F950 HydrophobicContact CD2-CD2 4.24Å; L669-F950 HydrophobicContact CD2-CE1 3.86Å; L669-F950 HydrophobicContact CD2-CE2 4.22Å; L669-F950 HydrophobicContact CD2-CG 4.07Å; L669-F950 HydrophobicContact CD2-CZ 4.03Å; A945-F950 HydrophobicContact CB-CB 4.37Å; A945-F950 WeakPolarHBondContact O-CB 3.37Å; A945-F950 WeakPolarHBondContact O-CD2 3.33Å; A945-F950 PolarHBondContact O-N 3.21Å; A948-F950 HydrophobicContact CB-CD2 4.08Å; A948-F950 HydrophobicContact CB-CE2 4.26Å; F950-L955 HydrophobicContact CB-CD2 3.94Å; F950-L955 HydrophobicContact CB-CG 4.29Å; F950-V963 HydrophobicContact CD1-CG1 3.83Å; F950-V963 HydrophobicContact CD1-CG2 4.26Å; F950-V963 HydrophobicContact CD2-CG1 3.56Å; F950-V963 HydrophobicContact CE1-CG1 3.68Å; F950-V963 HydrophobicContact CE1-CG2 4.33Å; F950-V963 HydrophobicContact CE2-CG1 3.41Å; F950-V963 VanDerWaalsContact CE2-CG1 3.41Å; F950-V963 HydrophobicContact CG-CG1 3.78Å; F950-V963 HydrophobicContact CZ-CG1 3.47Å; F950-V963 VanDerWaalsContact CZ-CG1 3.47Å | ||
| 951 | T | 84.3 | Confident | 87.2 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | trans | -61.7 | 158.5 | 177.9 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | G949 N953 Y954 L955 | G949-T951 PolarHBondContact O-N 2.95Å; G949-T951 VanDerWaalsContact O-N 3.15Å; T951-N953 PolarHBondContact O-N 2.86Å; T951-N953 VanDerWaalsContact O-N 3.12Å; T951-Y954 HydrophobicContact CG2-CD2 4.22Å; T951-Y954 HydrophobicContact CG2-CE2 3.88Å; T951-Y954 WeakPolarHBondContact O-CB 3.3Å; T951-Y954 PolarHBondContact O-N 3.4Å; T951-Y954 WeakPolarHBondContact OG1-CD2 3.21Å; T951-Y954 WeakPolarHBondContact OG1-CE2 3.19Å; T951-Y954 VanDerWaalsContact OG1-CG 3.32Å; T951-L955 PolarHBondContact O-N 3.39Å; T951-L955 VanDerWaalsContact O-N 3.16Å | ||
| 952 | S | 84.6 | Confident | 86.9 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.8 | -33.4 | 176.1 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | Y954 L955 Q956 | S952-Y954 VanDerWaalsContact C-N 3.34Å; S952-L955 PolarHBondContact O-N 3.35Å; S952-Q956 WeakPolarHBondContact O-CG 3.31Å; S952-Q956 PolarHBondContact O-N 3.48Å |
| 953 | N | 84.9 | Confident | 86.7 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67 | -36.5 | 178.2 | -65.3 | -9.3 | 0 | 0 | 0 | 111.6 | T951 | T951-N953 PolarHBondContact O-N 2.86Å; T951-N953 VanDerWaalsContact O-N 3.12Å |
| 954 | Y | 84.8 | Confident | 86.6 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.7 | -39.1 | 176.8 | -55 | -28.1 | 0 | 0 | 0 | 111.4 | W649 L650 Q653 L654 T951 S952 Q956 V957 I958 | W649-Y954 HydrophobicContact CH2-CD1 4.24Å; W649-Y954 HydrophobicContact CZ3-CD1 4.01Å; L650-Y954 HydrophobicContact CD1-CD1 3.45Å; L650-Y954 VanDerWaalsContact CD1-CD1 3.45Å; L650-Y954 HydrophobicContact CD1-CD2 3.7Å; L650-Y954 HydrophobicContact CD1-CE1 3.86Å; L650-Y954 HydrophobicContact CD1-CE2 4.1Å; L650-Y954 HydrophobicContact CD1-CG 3.37Å; Q653-Y954 HydrophobicContact CB-CE1 4.3Å; L654-Y954 HydrophobicContact CD2-CE2 4.25Å; T951-Y954 HydrophobicContact CG2-CD2 4.22Å; T951-Y954 HydrophobicContact CG2-CE2 3.88Å; T951-Y954 WeakPolarHBondContact O-CB 3.3Å; T951-Y954 PolarHBondContact O-N 3.4Å; T951-Y954 WeakPolarHBondContact OG1-CD2 3.21Å; T951-Y954 WeakPolarHBondContact OG1-CE2 3.19Å; T951-Y954 VanDerWaalsContact OG1-CG 3.32Å; S952-Y954 VanDerWaalsContact C-N 3.34Å; Y954-Q956 PolarHBondContact O-N 3.48Å; Y954-V957 PolarHBondContact O-N 3.39Å; Y954-I958 PolarHBondContact O-N 2.93Å |
| 955 | L | 86.6 | Confident | 86.5 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.5 | -14.7 | -180 | -61.2 | -179.6 | 0 | 0 | 0 | 114 | A945 M946 F950 T951 S952 V957 I958 V963 | A945-L955 HydrophobicContact CB-CD1 4.23Å; A945-L955 HydrophobicContact CB-CD2 3.83Å; M946-L955 HydrophobicContact CE-CD1 4.01Å; M946-L955 HydrophobicContact CG-CD1 3.87Å; F950-L955 HydrophobicContact CB-CD2 3.94Å; F950-L955 HydrophobicContact CB-CG 4.29Å; T951-L955 PolarHBondContact O-N 3.39Å; T951-L955 VanDerWaalsContact O-N 3.16Å; S952-L955 PolarHBondContact O-N 3.35Å; L955-V957 VanDerWaalsContact C-N 3.33Å; L955-I958 CarbonylContact C-O 3.51Å; L955-I958 WeakPolarHBondContact CA-O 3.47Å; L955-I958 VanDerWaalsContact O-O 3.09Å; L955-V963 HydrophobicContact CD2-CG2 4.13Å |
| 956 | Q | 84.5 | Confident | 86.4 | Confident | 158 Ų | 158 | 43.7 Ų | 43.7 | 74% | 0.738 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -27.7 | 169.7 | -73.2 | 175.3 | 5 | 0 | 0 | 112.5 | S952 Y954 | S952-Q956 WeakPolarHBondContact O-CG 3.31Å; S952-Q956 PolarHBondContact O-N 3.48Å; Y954-Q956 PolarHBondContact O-N 3.48Å |
| 957 | V | 84.8 | Confident | 86.5 | Confident | 53 Ų | 53 | 39.1 Ų | 39.1 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -42 | -178 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | R646 W649 Y954 L955 | R646-V957 HydrophobicContact CB-CG1 4.04Å; R646-V957 WeakPolarHBondContact CD-O 3.49Å; R646-V957 HydrophobicContact CG-CG1 4.36Å; W649-V957 HydrophobicContact CD2-CG1 4.24Å; W649-V957 HydrophobicContact CD2-CG2 4.11Å; W649-V957 HydrophobicContact CE3-CB 3.88Å; W649-V957 HydrophobicContact CE3-CG1 3.83Å; W649-V957 HydrophobicContact CE3-CG2 3.73Å; W649-V957 HydrophobicContact CH2-CB 4.49Å; W649-V957 HydrophobicContact CH2-CG2 3.65Å; W649-V957 HydrophobicContact CZ2-CG2 4.03Å; W649-V957 HydrophobicContact CZ3-CB 3.85Å; W649-V957 HydrophobicContact CZ3-CG1 4.33Å; W649-V957 HydrophobicContact CZ3-CG2 3.5Å; W649-V957 VanDerWaalsContact CZ3-CG2 3.5Å; Y954-V957 PolarHBondContact O-N 3.39Å; L955-V957 VanDerWaalsContact C-N 3.33Å |
| 958 | I | 84.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -113.5 | 124.9 | 178.6 | -53 | 163 | 0 | 0 | 0 | 108.3 | R646 W647 L650 Y954 L955 S960 D962 V963 | R646-I958 HydrophobicContact CB-CG1 3.8Å; W647-I958 HydrophobicContact CD2-CD1 3.72Å; W647-I958 HydrophobicContact CE3-CD1 3.83Å; W647-I958 HydrophobicContact CG-CD1 4.09Å; W647-I958 HydrophobicContact CZ2-CD1 4.44Å; W647-I958 HydrophobicContact CZ2-CG2 3.96Å; W647-I958 HydrophobicContact CZ3-CD1 4.22Å; L650-I958 HydrophobicContact CB-CD1 4Å; L650-I958 HydrophobicContact CD2-CD1 3.84Å; L650-I958 HydrophobicContact CG-CD1 4.47Å; Y954-I958 PolarHBondContact O-N 2.93Å; L955-I958 CarbonylContact C-O 3.51Å; L955-I958 WeakPolarHBondContact CA-O 3.47Å; L955-I958 VanDerWaalsContact O-O 3.09Å; I958-S960 PolarHBondContact O-N 3.28Å; I958-D962 HydrophobicContact CG2-CB 4.18Å; I958-V963 HydrophobicContact CB-CG2 4.02Å; I958-V963 HydrophobicContact CG2-CG2 3.53Å |
| 959 | K | 86.7 | Confident | 87 | Confident | 138 Ų | 138 | 34 Ų | 34 | 60% | 0.6 | 18% | 0.181 | S | C | * | . | trans | -58.6 | 134.4 | 176.8 | -66.1 | -177.7 | 178.1 | -177.5 | 0 | 109.7 | Q961 D962 V963 | K959-Q961 PolarHBondContact O-N 3.41Å; K959-D962 HydrophobicContact CB-CB 4.4Å; K959-D962 WeakPolarHBondContact O-CA 3.44Å; K959-D962 WeakPolarHBondContact O-CB 3.44Å; K959-D962 PolarHBondContact O-N 2.94Å; K959-V963 PolarHBondContact O-N 2.99Å | ||
| 960 | S | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.6 | -34.9 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | Q938 N942 I958 D962 V963 V964 | Q938-S960 PolarHBondContact NE2-OG 3.47Å; N942-S960 WeakPolarHBondContact OD1-CB 3.36Å; N942-S960 PolarHBondContact OD1-OG 2.92Å; I958-S960 PolarHBondContact O-N 3.28Å; S960-D962 PolarHBondContact O-N 2.95Å; S960-V963 WeakPolarHBondContact O-CB 3.38Å; S960-V963 PolarHBondContact O-N 3.36Å; S960-V964 WeakPolarHBondContact O-CG2 3.35Å; S960-V964 PolarHBondContact O-N 2.65Å |
| 961 | Q | 89.2 | Confident | 87.7 | Confident | 44 Ų | 44 | 33.1 Ų | 33.1 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | 171.6 | -176.9 | -174.9 | -6.5 | 0 | 0 | 112.1 | L929 F941 K959 V963 V964 L965 | L929-Q961 HydrophobicContact CD1-CG 4.46Å; F941-Q961 HydrophobicContact CD1-CB 4.37Å; F941-Q961 HydrophobicContact CD2-CB 4.48Å; F941-Q961 HydrophobicContact CE1-CG 4.26Å; F941-Q961 HydrophobicContact CE2-CG 4.34Å; F941-Q961 HydrophobicContact CG-CB 4.34Å; F941-Q961 HydrophobicContact CZ-CG 4.17Å; K959-Q961 PolarHBondContact O-N 3.41Å; Q961-V963 VanDerWaalsContact C-N 3.32Å; Q961-V963 PolarHBondContact O-N 3.02Å; Q961-V964 PolarHBondContact O-N 3.05Å; Q961-L965 HydrophobicContact CG-CD1 3.66Å; Q961-L965 HydrophobicContact CG-CG 4.38Å; Q961-L965 WeakPolarHBondContact O-CB 3.42Å; Q961-L965 VanDerWaalsContact O-CG 3.32Å; Q961-L965 WeakPolarHBondContact O-CG 3.41Å; Q961-L965 PolarHBondContact O-N 2.89Å |
| 962 | D | 87 | Confident | 88.1 | Confident | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.5 | -69.1 | -16.8 | 0 | 0 | 0 | 110.5 | R646 I958 K959 S960 Q966 | R646-D962 IonicContact CZ-OD2 3.24Å; R646-D962 IonicContact NH1-OD2 2.88Å; R646-D962 PolarHBondContact NH1-OD2 3.2Å; R646-D962 IonicContact NH2-OD2 2.71Å; I958-D962 HydrophobicContact CG2-CB 4.18Å; K959-D962 HydrophobicContact CB-CB 4.4Å; K959-D962 WeakPolarHBondContact O-CA 3.44Å; K959-D962 WeakPolarHBondContact O-CB 3.44Å; K959-D962 PolarHBondContact O-N 2.94Å; S960-D962 PolarHBondContact O-N 2.95Å; D962-Q966 WeakPolarHBondContact O-CB 3.49Å; D962-Q966 WeakPolarHBondContact O-CG 3.39Å; D962-Q966 PolarHBondContact O-N 2.94Å |
| 963 | V | 87.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -52.9 | 177.4 | 174 | 0 | 0 | 0 | 0 | 111.2 | W647 A945 F950 L955 I958 K959 S960 Q961 T967 | W647-V963 HydrophobicContact CH2-CG2 4.32Å; A945-V963 HydrophobicContact CB-CG1 4.2Å; F950-V963 HydrophobicContact CD1-CG1 3.83Å; F950-V963 HydrophobicContact CD1-CG2 4.26Å; F950-V963 HydrophobicContact CD2-CG1 3.56Å; F950-V963 HydrophobicContact CE1-CG1 3.68Å; F950-V963 HydrophobicContact CE1-CG2 4.33Å; F950-V963 HydrophobicContact CE2-CG1 3.41Å; F950-V963 VanDerWaalsContact CE2-CG1 3.41Å; F950-V963 HydrophobicContact CG-CG1 3.78Å; F950-V963 HydrophobicContact CZ-CG1 3.47Å; F950-V963 VanDerWaalsContact CZ-CG1 3.47Å; L955-V963 HydrophobicContact CD2-CG2 4.13Å; I958-V963 HydrophobicContact CB-CG2 4.02Å; I958-V963 HydrophobicContact CG2-CG2 3.53Å; K959-V963 PolarHBondContact O-N 2.99Å; S960-V963 WeakPolarHBondContact O-CB 3.38Å; S960-V963 PolarHBondContact O-N 3.36Å; Q961-V963 VanDerWaalsContact C-N 3.32Å; Q961-V963 PolarHBondContact O-N 3.02Å; V963-T967 VanDerWaalsContact O-CB 3.25Å; V963-T967 WeakPolarHBondContact O-CB 3.49Å; V963-T967 PolarHBondContact O-N 3.25Å; V963-T967 PolarHBondContact O-OG1 3.1Å |
| 964 | V | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.4 | -43.9 | -175.4 | 177 | 0 | 0 | 0 | 0 | 111.4 | F941 V944 A945 S960 Q961 Q966 T967 L970 L974 | F941-V964 HydrophobicContact CD1-CB 3.77Å; F941-V964 HydrophobicContact CD1-CG1 4.1Å; F941-V964 HydrophobicContact CD1-CG2 3.98Å; F941-V964 HydrophobicContact CE1-CB 4.06Å; F941-V964 HydrophobicContact CE1-CG1 4.09Å; V944-V964 HydrophobicContact CB-CG2 4.11Å; V944-V964 HydrophobicContact CG1-CG1 4.12Å; V944-V964 HydrophobicContact CG1-CG2 3.89Å; A945-V964 HydrophobicContact CB-CG2 4.16Å; S960-V964 WeakPolarHBondContact O-CG2 3.35Å; S960-V964 PolarHBondContact O-N 2.65Å; Q961-V964 PolarHBondContact O-N 3.05Å; V964-Q966 PolarHBondContact O-N 3.09Å; V964-T967 CarbonylContact O-C 3.47Å; V964-T967 PolarHBondContact O-N 2.94Å; V964-T967 VanDerWaalsContact O-O 3.1Å; V964-L970 HydrophobicContact CG1-CB 4.17Å; V964-L974 HydrophobicContact CG1-CB 4.03Å; V964-L974 HydrophobicContact CG1-CD1 4.26Å; V964-L974 HydrophobicContact CG1-CD2 3.92Å; V964-L974 HydrophobicContact CG1-CG 4.28Å |
| 965 | L | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.7 | -26.6 | -178.1 | -64.6 | 176.7 | 0 | 0 | 0 | 113.1 | L925 Q926 L929 F941 Q961 | L925-L965 HydrophobicContact CB-CD2 3.98Å; L925-L965 HydrophobicContact CD1-CD2 3.84Å; Q926-L965 HydrophobicContact CB-CD1 4.44Å; L929-L965 HydrophobicContact CD1-CD1 3.8Å; F941-L965 HydrophobicContact CE1-CD2 4.35Å; F941-L965 HydrophobicContact CE1-CG 4.21Å; Q961-L965 HydrophobicContact CG-CD1 3.66Å; Q961-L965 HydrophobicContact CG-CG 4.38Å; Q961-L965 WeakPolarHBondContact O-CB 3.42Å; Q961-L965 VanDerWaalsContact O-CG 3.32Å; Q961-L965 WeakPolarHBondContact O-CG 3.41Å; Q961-L965 PolarHBondContact O-N 2.89Å |
| 966 | Q | 87.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -85.9 | -17.9 | 174.1 | -63.5 | -63.2 | -53.8 | 0 | 0 | 113.1 | W647 P706 R713 D962 V964 | W647-Q966 HydrophobicContact CZ2-CB 4.44Å; P706-Q966 PolarHBondContact O-NE2 3.17Å; P706-Q966 VanDerWaalsContact O-NE2 3.13Å; R713-Q966 PolarHBondContact NH2-O 3.4Å; D962-Q966 WeakPolarHBondContact O-CB 3.49Å; D962-Q966 WeakPolarHBondContact O-CG 3.39Å; D962-Q966 PolarHBondContact O-N 2.94Å; V964-Q966 PolarHBondContact O-N 3.09Å |
| 967 | T | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -98.6 | 75.7 | 172.3 | -48.5 | 0 | 0 | 0 | 0 | 108.7 | N638 Y668 V963 V964 T969 L970 | N638-T967 HydrophobicContact CB-CG2 4.12Å; N638-T967 WeakPolarHBondContact OD1-CG2 3.42Å; Y668-T967 HydrophobicContact CD1-CG2 3.65Å; Y668-T967 HydrophobicContact CE1-CG2 4.33Å; Y668-T967 HydrophobicContact CG-CG2 4.49Å; V963-T967 VanDerWaalsContact O-CB 3.25Å; V963-T967 WeakPolarHBondContact O-CB 3.49Å; V963-T967 PolarHBondContact O-N 3.25Å; V963-T967 PolarHBondContact O-OG1 3.1Å; V964-T967 CarbonylContact O-C 3.47Å; V964-T967 PolarHBondContact O-N 2.94Å; V964-T967 VanDerWaalsContact O-O 3.1Å; T967-T969 PolarHBondContact O-N 3.38Å; T967-L970 HydrophobicContact CG2-CD1 3.82Å; T967-L970 HydrophobicContact CG2-CG 3.84Å; T967-L970 WeakPolarHBondContact O-CB 3.47Å; T967-L970 PolarHBondContact O-N 3.29Å |
| 968 | V | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -55.1 | -31.2 | -164 | 174.8 | 0 | 0 | 0 | 0 | 113.5 | L637 L710 L918 V919 A922 L970 I971 | L637-V968 HydrophobicContact CB-CB 4.27Å; L637-V968 HydrophobicContact CD2-CB 4.4Å; L637-V968 HydrophobicContact CD2-CG1 4.12Å; L637-V968 WeakPolarHBondContact O-CG2 3.45Å; L637-V968 PolarHBondContact O-N 3.43Å; L710-V968 HydrophobicContact CD2-CG2 3.91Å; L918-V968 HydrophobicContact CB-CG1 3.56Å; V919-V968 HydrophobicContact CG2-CG1 4.05Å; V919-V968 HydrophobicContact CG2-CG2 4.41Å; A922-V968 HydrophobicContact CB-CG2 4.43Å; V968-L970 PolarHBondContact O-N 3.39Å; V968-I971 HydrophobicContact CB-CD1 4.48Å; V968-I971 HydrophobicContact CG1-CD1 3.97Å; V968-I971 WeakPolarHBondContact O-CB 3.41Å; V968-I971 WeakPolarHBondContact O-CD1 3.38Å; V968-I971 VanDerWaalsContact O-CG1 3.31Å; V968-I971 WeakPolarHBondContact O-CG1 3.5Å; V968-I971 PolarHBondContact O-N 3.42Å; V968-I971 VanDerWaalsContact O-N 3.16Å |
| 969 | T | 90.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 2% | 0.018 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -67.2 | -11.9 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | L637 N638 L761 T967 | L637-T969 HydrophobicContact CB-CG2 4.09Å; L637-T969 HydrophobicContact CD1-CG2 3.95Å; N638-T969 PolarHBondContact ND2-OG1 3.47Å; N638-T969 WeakPolarHBondContact OD1-CB 3.3Å; N638-T969 WeakPolarHBondContact OD1-CG2 3.42Å; N638-T969 PolarHBondContact OD1-N 3.39Å; N638-T969 PolarHBondContact OD1-OG1 2.95Å; L761-T969 WeakPolarHBondContact O-CG2 3.42Å; T967-T969 PolarHBondContact O-N 3.38Å |
| 970 | L | 91.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -82.5 | -10.1 | 173.6 | -67.1 | 179 | 0 | 0 | 0 | 113.6 | Y668 V944 A948 V964 T967 V968 Q973 L974 | Y668-L970 HydrophobicContact CD1-CD2 4.07Å; Y668-L970 HydrophobicContact CD1-CG 4.23Å; Y668-L970 HydrophobicContact CD2-CD2 4.47Å; Y668-L970 HydrophobicContact CE1-CD2 3.54Å; Y668-L970 HydrophobicContact CE1-CG 3.98Å; Y668-L970 HydrophobicContact CE2-CD2 4.01Å; Y668-L970 HydrophobicContact CG-CD2 4.49Å; Y668-L970 VanDerWaalsContact CZ-CD2 3.48Å; V944-L970 HydrophobicContact CG1-CB 4.36Å; A948-L970 HydrophobicContact CB-CD1 3.7Å; A948-L970 HydrophobicContact CB-CD2 3.84Å; A948-L970 HydrophobicContact CB-CG 4.45Å; V964-L970 HydrophobicContact CG1-CB 4.17Å; T967-L970 HydrophobicContact CG2-CD1 3.82Å; T967-L970 HydrophobicContact CG2-CG 3.84Å; T967-L970 WeakPolarHBondContact O-CB 3.47Å; T967-L970 PolarHBondContact O-N 3.29Å; V968-L970 PolarHBondContact O-N 3.39Å; L970-Q973 CarbonylContact O-C 3.47Å; L970-Q973 WeakPolarHBondContact O-CB 3.45Å; L970-Q973 PolarHBondContact O-N 3.02Å; L970-Q973 VanDerWaalsContact O-N 3.15Å; L970-L974 PolarHBondContact O-N 3.32Å |
| 971 | I | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | -177 | -70.8 | 171.4 | 0 | 0 | 0 | 113.1 | L918 F921 A922 L925 V968 Q973 L974 V975 W1064 | L918-I971 WeakPolarHBondContact O-CD1 3.45Å; F921-I971 HydrophobicContact CD1-CG2 3.3Å; F921-I971 HydrophobicContact CE1-CG2 3.63Å; F921-I971 HydrophobicContact CG-CG2 4.21Å; A922-I971 HydrophobicContact CB-CD1 3.31Å; L925-I971 HydrophobicContact CD1-CG2 4.49Å; V968-I971 HydrophobicContact CB-CD1 4.48Å; V968-I971 HydrophobicContact CG1-CD1 3.97Å; V968-I971 WeakPolarHBondContact O-CB 3.41Å; V968-I971 WeakPolarHBondContact O-CD1 3.38Å; V968-I971 VanDerWaalsContact O-CG1 3.31Å; V968-I971 WeakPolarHBondContact O-CG1 3.5Å; V968-I971 PolarHBondContact O-N 3.42Å; V968-I971 VanDerWaalsContact O-N 3.16Å; I971-Q973 VanDerWaalsContact C-N 3.27Å; I971-Q973 PolarHBondContact O-N 3.05Å; I971-L974 WeakPolarHBondContact O-CB 3.44Å; I971-L974 PolarHBondContact O-N 3.21Å; I971-L974 VanDerWaalsContact O-N 3.12Å; I971-V975 PolarHBondContact O-N 3.36Å; I971-W1064 HydrophobicContact CG2-CH2 4.14Å |
| 972 | P | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 176.3 | -25.2 | 37.4 | 0 | 0 | 0 | 112 | I763 L765 L918 L974 V975 K976 W1064 | I763-P972 HydrophobicContact CB-CG 4.37Å; I763-P972 HydrophobicContact CG1-CG 4.3Å; I763-P972 HydrophobicContact CG2-CB 3.82Å; I763-P972 HydrophobicContact CG2-CG 3.51Å; L765-P972 HydrophobicContact CD2-CB 3.94Å; L918-P972 HydrophobicContact CD2-CG 3.86Å; P972-L974 VanDerWaalsContact C-N 3.35Å; P972-V975 PolarHBondContact O-N 3.21Å; P972-K976 WeakPolarHBondContact O-CB 3.44Å; P972-K976 PolarHBondContact O-N 2.8Å; P972-W1064 HydrophobicContact CB-CE3 4.1Å; P972-W1064 HydrophobicContact CB-CZ3 4Å; P972-W1064 HydrophobicContact CG-CE3 3.83Å; P972-W1064 HydrophobicContact CG-CZ3 3.72Å |
| 973 | Q | 90.2 | Very high | 90.3 | Very high | 55 Ų | 55 | 11 Ų | 11 | 26% | 0.257 | 5% | 0.054 | S | C | . | . | H | α-helix | trans | -67.1 | -35.3 | 175.5 | -171.6 | 66.7 | 8.1 | 0 | 0 | 112.2 | L970 I971 K976 T977 | L970-Q973 CarbonylContact O-C 3.47Å; L970-Q973 WeakPolarHBondContact O-CB 3.45Å; L970-Q973 PolarHBondContact O-N 3.02Å; L970-Q973 VanDerWaalsContact O-N 3.15Å; I971-Q973 VanDerWaalsContact C-N 3.27Å; I971-Q973 PolarHBondContact O-N 3.05Å; Q973-K976 PolarHBondContact O-N 3.19Å; Q973-T977 WeakPolarHBondContact O-CB 3.44Å; Q973-T977 PolarHBondContact O-N 3.23Å; Q973-T977 PolarHBondContact O-OG1 3.24Å |
| 974 | L | 93.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.9 | -49.9 | 173.5 | 175.6 | 68.3 | 0 | 0 | 0 | 111 | L925 V940 F941 V944 V964 L970 I971 P972 K976 T977 F978 | L925-L974 HydrophobicContact CD1-CD2 4.25Å; V940-L974 HydrophobicContact CG1-CD1 4.24Å; F941-L974 HydrophobicContact CD1-CD1 3.88Å; F941-L974 HydrophobicContact CD1-CD2 4.41Å; F941-L974 HydrophobicContact CE1-CD1 3.81Å; F941-L974 HydrophobicContact CE1-CD2 3.56Å; F941-L974 HydrophobicContact CE1-CG 4.35Å; F941-L974 HydrophobicContact CG-CD1 4.41Å; F941-L974 HydrophobicContact CZ-CD1 4.26Å; F941-L974 HydrophobicContact CZ-CD2 3.89Å; V944-L974 HydrophobicContact CG2-CD1 4.06Å; V964-L974 HydrophobicContact CG1-CB 4.03Å; V964-L974 HydrophobicContact CG1-CD1 4.26Å; V964-L974 HydrophobicContact CG1-CD2 3.92Å; V964-L974 HydrophobicContact CG1-CG 4.28Å; L970-L974 PolarHBondContact O-N 3.32Å; I971-L974 WeakPolarHBondContact O-CB 3.44Å; I971-L974 PolarHBondContact O-N 3.21Å; I971-L974 VanDerWaalsContact O-N 3.12Å; P972-L974 VanDerWaalsContact C-N 3.35Å; L974-K976 VanDerWaalsContact C-N 3.34Å; L974-K976 PolarHBondContact O-N 2.98Å; L974-T977 PolarHBondContact O-N 3.08Å; L974-T977 VanDerWaalsContact O-N 3.16Å; L974-F978 HydrophobicContact CD1-CD2 4.09Å; L974-F978 HydrophobicContact CD1-CE1 4.47Å; L974-F978 HydrophobicContact CD1-CE2 3.51Å; L974-F978 HydrophobicContact CD1-CZ 3.71Å; L974-F978 HydrophobicContact CD2-CE2 3.86Å; L974-F978 HydrophobicContact CG-CD2 3.87Å; L974-F978 HydrophobicContact CG-CE2 3.43Å; L974-F978 VanDerWaalsContact CG-CE2 3.43Å; L974-F978 HydrophobicContact CG-CZ 4.15Å; L974-F978 WeakPolarHBondContact O-CD2 3.44Å; L974-F978 PolarHBondContact O-N 3.04Å |
| 975 | V | 93 | Very high | 89.8 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | F921 I971 P972 T977 F978 C979 I1021 L1073 L1077 | F921-V975 HydrophobicContact CE1-CG2 4Å; F921-V975 HydrophobicContact CZ-CG2 4.03Å; I971-V975 PolarHBondContact O-N 3.36Å; P972-V975 PolarHBondContact O-N 3.21Å; V975-T977 VanDerWaalsContact C-N 3.32Å; V975-T977 PolarHBondContact O-N 2.98Å; V975-F978 PolarHBondContact O-N 2.96Å; V975-C979 PolarHBondContact O-N 2.94Å; V975-C979 VanDerWaalsContact O-N 3.09Å; V975-C979 PolarHBondContact O-SG 2.85Å; V975-I1021 HydrophobicContact CG1-CD1 3.92Å; V975-I1021 HydrophobicContact CG1-CG1 4.37Å; V975-L1073 HydrophobicContact CB-CD1 3.77Å; V975-L1073 HydrophobicContact CG1-CD1 3.75Å; V975-L1073 HydrophobicContact CG1-CD2 4.46Å; V975-L1073 HydrophobicContact CG2-CD1 4.28Å; V975-L1077 HydrophobicContact CG1-CD2 4.43Å |
| 976 | K | 91.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 173.9 | 176.1 | 170.4 | 179.4 | 163.5 | 0 | 112.1 | L765 P972 Q973 L974 C979 K980 E1069 L1073 I1076 | L765-K976 HydrophobicContact CB-CD 4.04Å; L765-K976 HydrophobicContact CD1-CD 4.32Å; L765-K976 HydrophobicContact CD2-CB 4.42Å; L765-K976 HydrophobicContact CD2-CD 4.01Å; L765-K976 HydrophobicContact CG-CD 4.36Å; L765-K976 PolarHBondContact O-NZ 2.91Å; P972-K976 WeakPolarHBondContact O-CB 3.44Å; P972-K976 PolarHBondContact O-N 2.8Å; Q973-K976 PolarHBondContact O-N 3.19Å; L974-K976 VanDerWaalsContact C-N 3.34Å; L974-K976 PolarHBondContact O-N 2.98Å; K976-C979 PolarHBondContact O-N 2.74Å; K976-K980 HydrophobicContact CG-CD 4.31Å; K976-K980 WeakPolarHBondContact O-CG 3.4Å; K976-K980 PolarHBondContact O-N 2.99Å; K976-E1069 WeakPolarHBondContact CD-OE1 3.42Å; K976-E1069 WeakPolarHBondContact CE-OE1 3.35Å; K976-E1069 IonicContact NZ-OE1 2.74Å; K976-E1069 PolarHBondContact NZ-OE1 3.09Å; K976-L1073 HydrophobicContact CB-CD2 4.33Å; K976-I1076 HydrophobicContact CB-CD1 3.96Å; K976-I1076 HydrophobicContact CD-CD1 4.14Å; K976-I1076 HydrophobicContact CG-CD1 3.86Å |
| 977 | T | 90.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.6 | -39.6 | -178.5 | -48.7 | 0 | 0 | 0 | 0 | 111.1 | V940 E943 V944 Q973 L974 V975 C979 K980 T981 | V940-T977 HydrophobicContact CG1-CG2 3.78Å; E943-T977 HydrophobicContact CG-CG2 4.38Å; V944-T977 HydrophobicContact CG2-CG2 4.04Å; Q973-T977 WeakPolarHBondContact O-CB 3.44Å; Q973-T977 PolarHBondContact O-N 3.23Å; Q973-T977 PolarHBondContact O-OG1 3.24Å; L974-T977 PolarHBondContact O-N 3.08Å; L974-T977 VanDerWaalsContact O-N 3.16Å; V975-T977 VanDerWaalsContact C-N 3.32Å; V975-T977 PolarHBondContact O-N 2.98Å; T977-C979 VanDerWaalsContact C-N 3.32Å; T977-C979 PolarHBondContact O-N 2.86Å; T977-K980 PolarHBondContact O-N 3.26Å; T977-T981 PolarHBondContact O-N 2.99Å; T977-T981 PolarHBondContact O-OG1 3.03Å |
| 978 | F | 92.5 | Very high | 88 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55 | -47 | 171.2 | -79.4 | -48.1 | 0 | 0 | 0 | 112.2 | Y937 V940 F941 L974 V975 T981 I982 I1017 L1020 | Y937-F978 HydrophobicContact CD1-CE1 4.09Å; Y937-F978 HydrophobicContact CD1-CZ 4.39Å; V940-F978 HydrophobicContact CB-CD1 3.82Å; V940-F978 HydrophobicContact CB-CE1 3.6Å; V940-F978 HydrophobicContact CB-CZ 4.48Å; V940-F978 HydrophobicContact CG1-CD1 3.54Å; V940-F978 HydrophobicContact CG1-CE1 3.69Å; V940-F978 HydrophobicContact CG1-CG 4.1Å; V940-F978 HydrophobicContact CG1-CZ 4.39Å; V940-F978 HydrophobicContact CG2-CD1 3.78Å; V940-F978 HydrophobicContact CG2-CE1 3.86Å; F941-F978 HydrophobicContact CE2-CZ 4.09Å; F941-F978 HydrophobicContact CZ-CZ 4.37Å; L974-F978 HydrophobicContact CD1-CD2 4.09Å; L974-F978 HydrophobicContact CD1-CE1 4.47Å; L974-F978 HydrophobicContact CD1-CE2 3.51Å; L974-F978 HydrophobicContact CD1-CZ 3.71Å; L974-F978 HydrophobicContact CD2-CE2 3.86Å; L974-F978 HydrophobicContact CG-CD2 3.87Å; L974-F978 HydrophobicContact CG-CE2 3.43Å; L974-F978 VanDerWaalsContact CG-CE2 3.43Å; L974-F978 HydrophobicContact CG-CZ 4.15Å; L974-F978 WeakPolarHBondContact O-CD2 3.44Å; L974-F978 PolarHBondContact O-N 3.04Å; V975-F978 PolarHBondContact O-N 2.96Å; F978-T981 WeakPolarHBondContact CA-OG1 3.43Å; F978-T981 PolarHBondContact O-N 3.25Å; F978-T981 PolarHBondContact O-OG1 3.42Å; F978-I982 WeakPolarHBondContact O-CG1 3.39Å; F978-I982 PolarHBondContact O-N 3.3Å; F978-I982 VanDerWaalsContact O-N 3.11Å; F978-I1017 HydrophobicContact CB-CD1 4Å; F978-I1017 HydrophobicContact CB-CG1 4.44Å; F978-I1017 HydrophobicContact CB-CG2 3.99Å; F978-I1017 HydrophobicContact CD1-CD1 3.7Å; F978-I1017 HydrophobicContact CD1-CG1 3.9Å; F978-I1017 HydrophobicContact CE1-CG1 4.44Å; F978-I1017 HydrophobicContact CG-CD1 4.15Å; F978-I1017 HydrophobicContact CG-CG1 4.26Å; F978-I1017 HydrophobicContact CG-CG2 4.36Å; F978-L1020 HydrophobicContact CE2-CD2 4.1Å; F978-L1020 HydrophobicContact CZ-CD2 4.17Å |
| 979 | C | 90.8 | Very high | 87 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 179.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | V975 K976 T977 T981 I982 D983 I1076 | V975-C979 PolarHBondContact O-N 2.94Å; V975-C979 VanDerWaalsContact O-N 3.09Å; V975-C979 PolarHBondContact O-SG 2.85Å; K976-C979 PolarHBondContact O-N 2.74Å; T977-C979 VanDerWaalsContact C-N 3.32Å; T977-C979 PolarHBondContact O-N 2.86Å; C979-T981 VanDerWaalsContact C-N 3.34Å; C979-T981 PolarHBondContact O-N 3.39Å; C979-I982 WeakPolarHBondContact O-CB 3.34Å; C979-I982 PolarHBondContact O-N 3.07Å; C979-D983 PolarHBondContact O-N 3.2Å; C979-I1076 HydrophobicContact CB-CG2 3.57Å; C979-I1076 WeakPolarHBondContact SG-CG2 3.39Å |
| 980 | K | 88.9 | Confident | 85.7 | Confident | 90 Ų | 90 | 31.3 Ų | 31.3 | 39% | 0.391 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 173 | -75.3 | 176.4 | 174.5 | -172.5 | 0 | 113 | K976 T977 I982 D983 N984 | K976-K980 HydrophobicContact CG-CD 4.31Å; K976-K980 WeakPolarHBondContact O-CG 3.4Å; K976-K980 PolarHBondContact O-N 2.99Å; T977-K980 PolarHBondContact O-N 3.26Å; K980-I982 VanDerWaalsContact C-N 3.35Å; K980-D983 WeakPolarHBondContact O-CB 3.35Å; K980-D983 PolarHBondContact O-N 3.39Å; K980-N984 VanDerWaalsContact O-CG 3.23Å; K980-N984 PolarHBondContact O-N 3.09Å; K980-N984 PolarHBondContact O-ND2 3.12Å |
| 981 | T | 88 | Confident | 84.3 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.6 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | V940 T977 F978 C979 D983 N984 E985 | V940-T981 HydrophobicContact CG2-CG2 3.96Å; T977-T981 PolarHBondContact O-N 2.99Å; T977-T981 PolarHBondContact O-OG1 3.03Å; F978-T981 WeakPolarHBondContact CA-OG1 3.43Å; F978-T981 PolarHBondContact O-N 3.25Å; F978-T981 PolarHBondContact O-OG1 3.42Å; C979-T981 VanDerWaalsContact C-N 3.34Å; C979-T981 PolarHBondContact O-N 3.39Å; T981-D983 VanDerWaalsContact C-N 3.35Å; T981-N984 PolarHBondContact O-N 3.3Å; T981-E985 WeakPolarHBondContact O-CG 3.35Å; T981-E985 PolarHBondContact O-N 3.22Å |
| 982 | I | 87.1 | Confident | 82.6 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 172.3 | -67.3 | 163.6 | 0 | 0 | 0 | 110.5 | F978 C979 K980 N984 E985 M986 F1013 L1014 I1017 L1080 Y1083 | F978-I982 WeakPolarHBondContact O-CG1 3.39Å; F978-I982 PolarHBondContact O-N 3.3Å; F978-I982 VanDerWaalsContact O-N 3.11Å; C979-I982 WeakPolarHBondContact O-CB 3.34Å; C979-I982 PolarHBondContact O-N 3.07Å; K980-I982 VanDerWaalsContact C-N 3.35Å; I982-N984 VanDerWaalsContact C-N 3.32Å; I982-N984 PolarHBondContact O-N 3.3Å; I982-E985 PolarHBondContact O-N 3.37Å; I982-M986 WeakPolarHBondContact O-CB 3.36Å; I982-M986 PolarHBondContact O-N 3.48Å; I982-F1013 HydrophobicContact CG1-CD1 4.23Å; I982-F1013 HydrophobicContact CG1-CE1 4.24Å; I982-L1014 HydrophobicContact CD1-CD1 3.86Å; I982-L1014 HydrophobicContact CG2-CD1 4.17Å; I982-I1017 HydrophobicContact CD1-CB 4.09Å; I982-I1017 HydrophobicContact CD1-CD1 3.63Å; I982-I1017 HydrophobicContact CD1-CG1 4.47Å; I982-I1017 HydrophobicContact CD1-CG2 3.83Å; I982-I1017 HydrophobicContact CG1-CD1 3.85Å; I982-L1080 HydrophobicContact CD1-CD1 3.71Å; I982-Y1083 HydrophobicContact CG2-CD2 3.98Å; I982-Y1083 HydrophobicContact CG2-CE2 4.37Å; I982-Y1083 HydrophobicContact CG2-CG 4.25Å |
| 983 | D | 86.4 | Confident | 80.6 | Confident | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 177.8 | -68.3 | -28.1 | 0 | 0 | 0 | 111.6 | C979 K980 T981 S987 K1079 Y1083 | C979-D983 PolarHBondContact O-N 3.2Å; K980-D983 WeakPolarHBondContact O-CB 3.35Å; K980-D983 PolarHBondContact O-N 3.39Å; T981-D983 VanDerWaalsContact C-N 3.35Å; D983-S987 VanDerWaalsContact O-CB 3.25Å; D983-S987 WeakPolarHBondContact O-CB 2.99Å; D983-S987 PolarHBondContact O-N 2.82Å; D983-S987 PolarHBondContact O-OG 2.91Å; D983-K1079 WeakPolarHBondContact OD1-CE 3.41Å; D983-K1079 IonicContact OD1-NZ 2.84Å; D983-K1079 PolarHBondContact OD1-NZ 2.89Å; D983-K1079 IonicContact OD2-NZ 3.56Å; D983-K1079 PolarHBondContact OD2-NZ 3.5Å; D983-Y1083 WeakPolarHBondContact OD1-CE2 3.35Å; D983-Y1083 VanDerWaalsContact OD1-CZ 3.28Å; D983-Y1083 PolarHBondContact OD1-OH 3.05Å |
| 984 | N | 85.5 | Confident | 78.8 | Confident | 105 Ų | 105 | 44.4 Ų | 44.4 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.1 | -50.7 | -179.6 | -69.1 | -17.5 | 0 | 0 | 0 | 110.6 | K980 T981 I982 M986 S987 T988 | K980-N984 VanDerWaalsContact O-CG 3.23Å; K980-N984 PolarHBondContact O-N 3.09Å; K980-N984 PolarHBondContact O-ND2 3.12Å; T981-N984 PolarHBondContact O-N 3.3Å; I982-N984 VanDerWaalsContact C-N 3.32Å; I982-N984 PolarHBondContact O-N 3.3Å; N984-M986 PolarHBondContact O-N 3.38Å; N984-S987 PolarHBondContact O-N 2.92Å; N984-S987 PolarHBondContact O-OG 3.29Å; N984-T988 WeakPolarHBondContact O-CG2 3.22Å; N984-T988 PolarHBondContact O-N 3.37Å; N984-T988 VanDerWaalsContact O-N 3.16Å |
| 985 | E | 82.4 | Confident | 76.7 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.9 | -71.1 | -173.4 | -173.7 | 0 | 0 | 111.7 | T981 I982 S987 T988 I989 T1010 | T981-E985 WeakPolarHBondContact O-CG 3.35Å; T981-E985 PolarHBondContact O-N 3.22Å; I982-E985 PolarHBondContact O-N 3.37Å; E985-S987 VanDerWaalsContact C-N 3.34Å; E985-S987 PolarHBondContact O-N 3.07Å; E985-T988 PolarHBondContact O-N 3.03Å; E985-T988 PolarHBondContact O-OG1 3.3Å; E985-I989 PolarHBondContact O-N 3.08Å; E985-T1010 HydrophobicContact CB-CG2 3.74Å; E985-T1010 PolarHBondContact OE2-OG1 3.36Å; E985-T1010 VanDerWaalsContact OE2-OG1 3.06Å |
| 986 | M | 80.2 | Confident | 74.3 | Confident | 17 Ų | 17 | 57 Ų | 57 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 179.6 | -161.1 | 69.5 | -174.6 | 0 | 0 | 112.5 | I982 N984 T988 I989 T990 Y1083 L1092 | I982-M986 WeakPolarHBondContact O-CB 3.36Å; I982-M986 PolarHBondContact O-N 3.48Å; N984-M986 PolarHBondContact O-N 3.38Å; M986-T988 VanDerWaalsContact C-N 3.31Å; M986-T988 PolarHBondContact O-N 3.39Å; M986-I989 PolarHBondContact O-N 2.97Å; M986-I989 HydrophobicContact SD-CD1 4.16Å; M986-T990 PolarHBondContact O-N 3.05Å; M986-T990 PolarHBondContact O-OG1 3.31Å; M986-Y1083 HydrophobicContact CB-CD1 4.38Å; M986-Y1083 HydrophobicContact CB-CE1 4Å; M986-Y1083 HydrophobicContact CG-CD1 3.85Å; M986-Y1083 HydrophobicContact CG-CE1 3.71Å; M986-L1092 HydrophobicContact CE-CD1 3.64Å; M986-L1092 HydrophobicContact CE-CD2 3.8Å; M986-L1092 HydrophobicContact CE-CG 4.36Å |
| 987 | S | 76.9 | Confident | 71.9 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 176.4 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | D983 N984 E985 I989 T990 T991 | D983-S987 VanDerWaalsContact O-CB 3.25Å; D983-S987 WeakPolarHBondContact O-CB 2.99Å; D983-S987 PolarHBondContact O-N 2.82Å; D983-S987 PolarHBondContact O-OG 2.91Å; N984-S987 PolarHBondContact O-N 2.92Å; N984-S987 PolarHBondContact O-OG 3.29Å; E985-S987 VanDerWaalsContact C-N 3.34Å; E985-S987 PolarHBondContact O-N 3.07Å; S987-I989 VanDerWaalsContact C-N 3.33Å; S987-I989 PolarHBondContact O-N 3.3Å; S987-T990 WeakPolarHBondContact CA-OG1 3.37Å; S987-T990 PolarHBondContact O-N 3.36Å; S987-T990 PolarHBondContact O-OG1 3.32Å; S987-T991 WeakPolarHBondContact O-CG2 3.43Å; S987-T991 PolarHBondContact O-N 2.63Å; S987-T991 VanDerWaalsContact O-N 3.15Å; S987-T991 PolarHBondContact O-OG1 2.99Å |
| 988 | T | 72.2 | Confident | 69.6 | Low | 86 Ų | 86 | 72 Ų | 72 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 175.5 | 62 | 0 | 0 | 0 | 0 | 111.8 | N984 E985 M986 T990 T991 S992 | N984-T988 WeakPolarHBondContact O-CG2 3.22Å; N984-T988 PolarHBondContact O-N 3.37Å; N984-T988 VanDerWaalsContact O-N 3.16Å; E985-T988 PolarHBondContact O-N 3.03Å; E985-T988 PolarHBondContact O-OG1 3.3Å; M986-T988 VanDerWaalsContact C-N 3.31Å; M986-T988 PolarHBondContact O-N 3.39Å; T988-T990 PolarHBondContact O-N 3.2Å; T988-T991 PolarHBondContact O-N 3.07Å; T988-T991 PolarHBondContact O-OG1 3.14Å; T988-S992 PolarHBondContact O-N 3.45Å; T988-S992 PolarHBondContact O-OG 2.82Å |
| 989 | I | 68.9 | Low | 67.2 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 9% | 0.092 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.9 | -61.6 | 166.7 | 0 | 0 | 0 | 111.2 | E985 M986 S987 S992 T1007 T1010 | E985-I989 PolarHBondContact O-N 3.08Å; M986-I989 PolarHBondContact O-N 2.97Å; M986-I989 HydrophobicContact SD-CD1 4.16Å; S987-I989 VanDerWaalsContact C-N 3.33Å; S987-I989 PolarHBondContact O-N 3.3Å; I989-S992 PolarHBondContact O-OG 3.39Å; I989-T1007 HydrophobicContact CD1-CG2 4Å; I989-T1007 HydrophobicContact CG1-CG2 4.04Å; I989-T1007 HydrophobicContact CG2-CG2 3.83Å; I989-T1010 HydrophobicContact CD1-CG2 3.95Å |
| 990 | T | 64.6 | Low | 65.4 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.6 | -20.1 | -178.6 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | M986 S987 T988 S993 | M986-T990 PolarHBondContact O-N 3.05Å; M986-T990 PolarHBondContact O-OG1 3.31Å; S987-T990 WeakPolarHBondContact CA-OG1 3.37Å; S987-T990 PolarHBondContact O-N 3.36Å; S987-T990 PolarHBondContact O-OG1 3.32Å; T988-T990 PolarHBondContact O-N 3.2Å; T990-S993 PolarHBondContact O-OG 3.36Å; T990-S993 VanDerWaalsContact O-OG 3.09Å |
| 991 | T | 62.3 | Low | 63.6 | Low | 93 Ų | 93 | 82.6 Ų | 82.6 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -89.7 | -33.1 | -177.7 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | S987 T988 S993 S994 | S987-T991 WeakPolarHBondContact O-CG2 3.43Å; S987-T991 PolarHBondContact O-N 2.63Å; S987-T991 VanDerWaalsContact O-N 3.15Å; S987-T991 PolarHBondContact O-OG1 2.99Å; T988-T991 PolarHBondContact O-N 3.07Å; T988-T991 PolarHBondContact O-OG1 3.14Å; T991-S993 VanDerWaalsContact C-N 3.3Å; T991-S993 PolarHBondContact O-N 3.29Å; T991-S994 PolarHBondContact O-OG 3.42Å; T991-S994 VanDerWaalsContact O-OG 3.07Å |
| 992 | S | 55.8 | Low | 62 | Low | 55 Ų | 55 | 84.1 Ų | 84.1 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -26.3 | 175.3 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | T988 I989 S994 S995 | T988-S992 PolarHBondContact O-N 3.45Å; T988-S992 PolarHBondContact O-OG 2.82Å; I989-S992 PolarHBondContact O-OG 3.39Å; S992-S994 PolarHBondContact O-N 2.99Å; S992-S995 PolarHBondContact O-N 3.35Å; S992-S995 PolarHBondContact O-OG 2.99Å |
| 993 | S | 50.6 | Low | 60.6 | Low | 82 Ų | 82 | 87 Ų | 87 | 57% | 0.573 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.5 | -179.1 | 63 | 0 | 0 | 0 | 0 | 115.2 | T990 T991 | T990-S993 PolarHBondContact O-OG 3.36Å; T990-S993 VanDerWaalsContact O-OG 3.09Å; T991-S993 VanDerWaalsContact C-N 3.3Å; T991-S993 PolarHBondContact O-N 3.29Å |
| 994 | S | 53.6 | Low | 59.5 | Low | 105 Ų | 105 | 88.3 Ų | 88.3 | 73% | 0.734 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -11.4 | 179.3 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | T991 S992 | T991-S994 PolarHBondContact O-OG 3.42Å; T991-S994 VanDerWaalsContact O-OG 3.07Å; S992-S994 PolarHBondContact O-N 2.99Å |
| 995 | S | 48.7 | Very low | 58.4 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -100.7 | 86.5 | 171.9 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | S992 | S992-S995 PolarHBondContact O-N 3.35Å; S992-S995 PolarHBondContact O-OG 2.99Å |
| 996 | E | 42.2 | Very low | 57.5 | Low | 178 Ų | 178 | 86.5 Ų | 86.5 | 83% | 0.832 | 52% | 0.521 | S | S | * | . | trans | -59.8 | 138.5 | 167.9 | -64.9 | 178.4 | 163.9 | 0 | 0 | 109.1 | ||||
| 997 | E | 42.4 | Very low | 57.2 | Low | 176 Ų | 176 | 86.2 Ų | 86.2 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 93.9 | 95.6 | 177.4 | -51.8 | -177.6 | 172.3 | 0 | 0 | 117 | ||
| 998 | N | 41.6 | Very low | 57.2 | Low | 150 Ų | 150 | 87.3 Ų | 87.3 | 80% | 0.802 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 99.5 | 68 | 155.9 | -51.1 | -49.6 | 0 | 0 | 0 | 119.3 | ||
| 999 | C | 42.2 | Very low | 57.5 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | trans | -167.1 | 77 | 151.8 | -125.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1000 | V | 52.2 | Low | 58.2 | Low | 127 Ų | 127 | 87.6 Ų | 87.6 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | trans | -92.8 | -14.4 | -166.7 | -173.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1001 | S | 52.5 | Low | 59.1 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 79% | 0.79 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -107.7 | -24.5 | -174.4 | 60.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1002 | S | 53.2 | Low | 60.1 | Low | 52 Ų | 52 | 82.2 Ų | 82.2 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -75.2 | -35.8 | 177.8 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | S1005 | S1002-S1005 PolarHBondContact O-N 2.86Å; S1002-S1005 PolarHBondContact O-OG 3.4Å |
| 1003 | D | 58.5 | Low | 61.6 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 34% | 0.342 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.1 | -35.3 | -160.8 | -65.3 | 7.4 | 0 | 0 | 0 | 112.1 | S1005 T1006 T1007 | D1003-S1005 VanDerWaalsContact C-N 3.31Å; D1003-S1005 PolarHBondContact O-N 3.11Å; D1003-T1006 PolarHBondContact O-N 2.89Å; D1003-T1006 VanDerWaalsContact O-N 3.15Å; D1003-T1006 PolarHBondContact O-OG1 3.3Å; D1003-T1007 PolarHBondContact O-N 3.47Å; D1003-T1007 VanDerWaalsContact O-N 3.09Å; D1003-T1007 PolarHBondContact O-OG1 3.31Å |
| 1004 | I | 62 | Low | 63.5 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 29% | 0.287 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 178.4 | -55.8 | 171.1 | 0 | 0 | 0 | 111.6 | T1006 T1007 K1008 | I1004-T1006 VanDerWaalsContact C-N 3.33Å; I1004-T1006 PolarHBondContact O-N 3.42Å; I1004-T1007 PolarHBondContact O-OG1 3.21Å; I1004-K1008 PolarHBondContact O-N 3.4Å |
| 1005 | S | 64.2 | Low | 65.2 | Low | 66 Ų | 66 | 71.9 Ų | 71.9 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | S1002 D1003 N1009 | S1002-S1005 PolarHBondContact O-N 2.86Å; S1002-S1005 PolarHBondContact O-OG 3.4Å; D1003-S1005 VanDerWaalsContact C-N 3.31Å; D1003-S1005 PolarHBondContact O-N 3.11Å; S1005-N1009 VanDerWaalsContact O-CG 3.25Å; S1005-N1009 PolarHBondContact O-N 3.28Å; S1005-N1009 PolarHBondContact O-ND2 3.3Å |
| 1006 | T | 63.4 | Low | 67.1 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.2 | -41.7 | -179.9 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | D1003 I1004 K1008 N1009 T1010 | D1003-T1006 PolarHBondContact O-N 2.89Å; D1003-T1006 VanDerWaalsContact O-N 3.15Å; D1003-T1006 PolarHBondContact O-OG1 3.3Å; I1004-T1006 VanDerWaalsContact C-N 3.33Å; I1004-T1006 PolarHBondContact O-N 3.42Å; T1006-K1008 PolarHBondContact O-N 3.39Å; T1006-N1009 PolarHBondContact O-N 3.09Å; T1006-T1010 PolarHBondContact O-N 2.83Å; T1006-T1010 PolarHBondContact O-OG1 3.33Å |
| 1007 | T | 72.2 | Confident | 69.4 | Low | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | I989 D1003 I1004 N1009 T1010 V1011 | I989-T1007 HydrophobicContact CD1-CG2 4Å; I989-T1007 HydrophobicContact CG1-CG2 4.04Å; I989-T1007 HydrophobicContact CG2-CG2 3.83Å; D1003-T1007 PolarHBondContact O-N 3.47Å; D1003-T1007 VanDerWaalsContact O-N 3.09Å; D1003-T1007 PolarHBondContact O-OG1 3.31Å; I1004-T1007 PolarHBondContact O-OG1 3.21Å; T1007-N1009 PolarHBondContact O-N 2.98Å; T1007-T1010 PolarHBondContact O-N 3.45Å; T1007-V1011 WeakPolarHBondContact O-CG2 3.43Å; T1007-V1011 PolarHBondContact O-N 3.3Å |
| 1008 | K | 77.3 | Confident | 71.7 | Confident | 79 Ų | 79 | 53 Ų | 53 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.6 | -177.5 | 175 | 175.5 | 174.7 | 0 | 112 | I1004 T1006 T1010 V1011 E1012 | I1004-K1008 PolarHBondContact O-N 3.4Å; T1006-K1008 PolarHBondContact O-N 3.39Å; K1008-T1010 VanDerWaalsContact C-N 3.34Å; K1008-T1010 PolarHBondContact O-N 2.88Å; K1008-V1011 PolarHBondContact O-N 2.94Å; K1008-E1012 WeakPolarHBondContact CE-OE1 3.17Å; K1008-E1012 WeakPolarHBondContact O-CG 3.43Å; K1008-E1012 PolarHBondContact O-N 3.45Å |
| 1009 | N | 80 | Confident | 74.1 | Confident | 95 Ų | 95 | 49.4 Ų | 49.4 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 178.9 | -69.6 | -16.5 | 0 | 0 | 0 | 112.2 | S1005 T1006 T1007 E1012 F1013 | S1005-N1009 VanDerWaalsContact O-CG 3.25Å; S1005-N1009 PolarHBondContact O-N 3.28Å; S1005-N1009 PolarHBondContact O-ND2 3.3Å; T1006-N1009 PolarHBondContact O-N 3.09Å; T1007-N1009 PolarHBondContact O-N 2.98Å; N1009-E1012 PolarHBondContact O-N 2.99Å; N1009-F1013 WeakPolarHBondContact O-CB 3.46Å; N1009-F1013 PolarHBondContact O-N 3.09Å |
| 1010 | T | 82.8 | Confident | 76.4 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -38.8 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | E985 I989 T1006 T1007 K1008 F1013 L1014 | E985-T1010 HydrophobicContact CB-CG2 3.74Å; E985-T1010 PolarHBondContact OE2-OG1 3.36Å; E985-T1010 VanDerWaalsContact OE2-OG1 3.06Å; I989-T1010 HydrophobicContact CD1-CG2 3.95Å; T1006-T1010 PolarHBondContact O-N 2.83Å; T1006-T1010 PolarHBondContact O-OG1 3.33Å; T1007-T1010 PolarHBondContact O-N 3.45Å; K1008-T1010 VanDerWaalsContact C-N 3.34Å; K1008-T1010 PolarHBondContact O-N 2.88Å; T1010-F1013 PolarHBondContact O-N 3.1Å; T1010-L1014 WeakPolarHBondContact O-CB 3.38Å; T1010-L1014 PolarHBondContact O-N 3.38Å |
| 1011 | V | 83.4 | Confident | 78.3 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | T1007 K1008 F1013 L1014 I1015 V1087 L1092 | T1007-V1011 WeakPolarHBondContact O-CG2 3.43Å; T1007-V1011 PolarHBondContact O-N 3.3Å; K1008-V1011 PolarHBondContact O-N 2.94Å; V1011-F1013 VanDerWaalsContact C-N 3.31Å; V1011-F1013 PolarHBondContact O-N 2.9Å; V1011-L1014 WeakPolarHBondContact O-CB 3.29Å; V1011-L1014 PolarHBondContact O-N 3.29Å; V1011-I1015 HydrophobicContact CG1-CD1 4.07Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.37Å; V1011-I1015 PolarHBondContact O-N 3.28Å; V1011-V1087 HydrophobicContact CG1-CG1 3.96Å; V1011-V1087 HydrophobicContact CG2-CG1 4.32Å; V1011-V1087 HydrophobicContact CG2-CG2 4.24Å; V1011-L1092 HydrophobicContact CG2-CD2 4.48Å |
| 1012 | E | 84.3 | Confident | 80.2 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 173.4 | -74 | -179.2 | -173.7 | 0 | 0 | 110.5 | K1008 N1009 L1014 I1015 H1016 L1116 | K1008-E1012 WeakPolarHBondContact CE-OE1 3.17Å; K1008-E1012 WeakPolarHBondContact O-CG 3.43Å; K1008-E1012 PolarHBondContact O-N 3.45Å; N1009-E1012 PolarHBondContact O-N 2.99Å; E1012-L1014 PolarHBondContact O-N 2.9Å; E1012-I1015 PolarHBondContact O-N 2.92Å; E1012-H1016 WeakPolarHBondContact O-CB 3.29Å; E1012-H1016 PolarHBondContact O-N 3.47Å; E1012-H1016 PolarHBondContact O-ND1 2.89Å; E1012-L1116 HydrophobicContact CG-CD1 4.46Å; E1012-L1116 HydrophobicContact CG-CD2 4.32Å |
| 1013 | F | 87.2 | Confident | 82 | Confident | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 176.8 | -176.6 | -123.1 | 0 | 0 | 0 | 112.7 | L936 Y937 V940 I982 N1009 T1010 V1011 H1016 I1017 | L936-F1013 HydrophobicContact CB-CD2 3.77Å; L936-F1013 HydrophobicContact CB-CE2 3.92Å; L936-F1013 HydrophobicContact CD1-CD2 4.17Å; L936-F1013 HydrophobicContact CG-CD2 4.47Å; Y937-F1013 HydrophobicContact CD1-CE2 4.43Å; V940-F1013 HydrophobicContact CG2-CZ 4.18Å; I982-F1013 HydrophobicContact CG1-CD1 4.23Å; I982-F1013 HydrophobicContact CG1-CE1 4.24Å; N1009-F1013 WeakPolarHBondContact O-CB 3.46Å; N1009-F1013 PolarHBondContact O-N 3.09Å; T1010-F1013 PolarHBondContact O-N 3.1Å; V1011-F1013 VanDerWaalsContact C-N 3.31Å; V1011-F1013 PolarHBondContact O-N 2.9Å; F1013-H1016 PolarHBondContact O-N 2.93Å; F1013-I1017 HydrophobicContact CD1-CD1 3.79Å; F1013-I1017 HydrophobicContact CD2-CD1 4.05Å; F1013-I1017 HydrophobicContact CD2-CG1 4.36Å; F1013-I1017 HydrophobicContact CE1-CD1 3.31Å; F1013-I1017 HydrophobicContact CE2-CD1 3.62Å; F1013-I1017 HydrophobicContact CE2-CG1 4.09Å; F1013-I1017 HydrophobicContact CG-CD1 4.15Å; F1013-I1017 HydrophobicContact CZ-CD1 3.25Å; F1013-I1017 HydrophobicContact CZ-CG1 4.2Å; F1013-I1017 PolarHBondContact O-N 3.48Å |
| 1014 | L | 89.5 | Confident | 83.7 | Confident | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.7 | -50.5 | 173 | 173 | 64.5 | 0 | 0 | 0 | 111.2 | I982 T1010 V1011 E1012 H1016 I1017 S1018 L1080 L1084 V1087 | I982-L1014 HydrophobicContact CD1-CD1 3.86Å; I982-L1014 HydrophobicContact CG2-CD1 4.17Å; T1010-L1014 WeakPolarHBondContact O-CB 3.38Å; T1010-L1014 PolarHBondContact O-N 3.38Å; V1011-L1014 WeakPolarHBondContact O-CB 3.29Å; V1011-L1014 PolarHBondContact O-N 3.29Å; E1012-L1014 PolarHBondContact O-N 2.9Å; L1014-H1016 VanDerWaalsContact C-N 3.33Å; L1014-H1016 PolarHBondContact O-N 3.04Å; L1014-I1017 PolarHBondContact O-N 3.16Å; L1014-S1018 WeakPolarHBondContact O-CB 3.43Å; L1014-S1018 PolarHBondContact O-N 3.14Å; L1014-S1018 PolarHBondContact O-OG 3.5Å; L1014-S1018 VanDerWaalsContact O-OG 3.06Å; L1014-L1080 HydrophobicContact CD1-CD1 3.6Å; L1014-L1084 HydrophobicContact CD1-CD2 4.2Å; L1014-L1084 HydrophobicContact CD1-CG 4.38Å; L1014-L1084 HydrophobicContact CD2-CD2 4.07Å; L1014-L1084 HydrophobicContact CG-CD2 3.9Å; L1014-V1087 HydrophobicContact CD2-CG2 4.01Å |
| 1015 | I | 88.9 | Confident | 85.2 | Confident | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.067 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 178.8 | -71 | 166.2 | 0 | 0 | 0 | 111 | V1011 E1012 S1018 R1019 L1116 C1120 Y1123 | V1011-I1015 HydrophobicContact CG1-CD1 4.07Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.37Å; V1011-I1015 PolarHBondContact O-N 3.28Å; E1012-I1015 PolarHBondContact O-N 2.92Å; I1015-S1018 PolarHBondContact O-N 2.87Å; I1015-R1019 VanDerWaalsContact O-CB 3.27Å; I1015-R1019 WeakPolarHBondContact O-CB 3.49Å; I1015-R1019 PolarHBondContact O-N 3.33Å; I1015-L1116 HydrophobicContact CD1-CB 4.07Å; I1015-L1116 HydrophobicContact CD1-CD2 3.69Å; I1015-L1116 HydrophobicContact CD1-CG 4.48Å; I1015-C1120 WeakPolarHBondContact CG1-SG 3.33Å; I1015-Y1123 HydrophobicContact CG2-CD2 4.11Å; I1015-Y1123 HydrophobicContact CG2-CE2 3.65Å |
| 1016 | H | 88.5 | Confident | 86.6 | Confident | 43 Ų | 43 | 27.8 Ų | 27.8 | 20% | 0.199 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 180 | -79 | 98.3 | 0 | 0 | 0 | 112.2 | Q934 Y937 E1012 F1013 L1014 L1020 | Q934-H1016 PolarHBondContact NE2-NE2 3.44Å; Q934-H1016 VanDerWaalsContact NE2-NE2 3.19Å; Y937-H1016 HydrophobicContact CE1-CB 4.05Å; Y937-H1016 WeakPolarHBondContact OH-CB 3.25Å; Y937-H1016 PolarHBondContact OH-O 2.93Å; E1012-H1016 WeakPolarHBondContact O-CB 3.29Å; E1012-H1016 PolarHBondContact O-N 3.47Å; E1012-H1016 PolarHBondContact O-ND1 2.89Å; F1013-H1016 PolarHBondContact O-N 2.93Å; L1014-H1016 VanDerWaalsContact C-N 3.33Å; L1014-H1016 PolarHBondContact O-N 3.04Å; H1016-L1020 WeakPolarHBondContact O-CB 3.39Å; H1016-L1020 PolarHBondContact O-N 3.21Å; H1016-L1020 VanDerWaalsContact O-N 3.08Å |
| 1017 | I | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 175.4 | -75.7 | 172.2 | 0 | 0 | 0 | 111.2 | Y937 F978 I982 F1013 L1014 R1019 L1020 I1021 | Y937-I1017 HydrophobicContact CE1-CG1 4.28Å; F978-I1017 HydrophobicContact CB-CD1 4Å; F978-I1017 HydrophobicContact CB-CG1 4.44Å; F978-I1017 HydrophobicContact CB-CG2 3.99Å; F978-I1017 HydrophobicContact CD1-CD1 3.7Å; F978-I1017 HydrophobicContact CD1-CG1 3.9Å; F978-I1017 HydrophobicContact CE1-CG1 4.44Å; F978-I1017 HydrophobicContact CG-CD1 4.15Å; F978-I1017 HydrophobicContact CG-CG1 4.26Å; F978-I1017 HydrophobicContact CG-CG2 4.36Å; I982-I1017 HydrophobicContact CD1-CB 4.09Å; I982-I1017 HydrophobicContact CD1-CD1 3.63Å; I982-I1017 HydrophobicContact CD1-CG1 4.47Å; I982-I1017 HydrophobicContact CD1-CG2 3.83Å; I982-I1017 HydrophobicContact CG1-CD1 3.85Å; F1013-I1017 HydrophobicContact CD1-CD1 3.79Å; F1013-I1017 HydrophobicContact CD2-CD1 4.05Å; F1013-I1017 HydrophobicContact CD2-CG1 4.36Å; F1013-I1017 HydrophobicContact CE1-CD1 3.31Å; F1013-I1017 HydrophobicContact CE2-CD1 3.62Å; F1013-I1017 HydrophobicContact CE2-CG1 4.09Å; F1013-I1017 HydrophobicContact CG-CD1 4.15Å; F1013-I1017 HydrophobicContact CZ-CD1 3.25Å; F1013-I1017 HydrophobicContact CZ-CG1 4.2Å; F1013-I1017 PolarHBondContact O-N 3.48Å; L1014-I1017 PolarHBondContact O-N 3.16Å; I1017-R1019 VanDerWaalsContact C-N 3.3Å; I1017-R1019 PolarHBondContact O-N 3.35Å; I1017-L1020 WeakPolarHBondContact O-CB 3.39Å; I1017-L1020 PolarHBondContact O-N 3.13Å; I1017-L1020 VanDerWaalsContact O-N 3.08Å; I1017-I1021 HydrophobicContact CG2-CD1 3.47Å; I1017-I1021 VanDerWaalsContact CG2-CD1 3.47Å; I1017-I1021 HydrophobicContact CG2-CG1 4.18Å; I1017-I1021 WeakPolarHBondContact O-CG1 3.38Å; I1017-I1021 PolarHBondContact O-N 3.37Å |
| 1018 | S | 92 | Very high | 89 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | -179.1 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | L1014 I1015 L1020 I1021 E1022 | L1014-S1018 WeakPolarHBondContact O-CB 3.43Å; L1014-S1018 PolarHBondContact O-N 3.14Å; L1014-S1018 PolarHBondContact O-OG 3.5Å; L1014-S1018 VanDerWaalsContact O-OG 3.06Å; I1015-S1018 PolarHBondContact O-N 2.87Å; S1018-L1020 VanDerWaalsContact C-N 3.31Å; S1018-L1020 PolarHBondContact O-N 3.14Å; S1018-I1021 PolarHBondContact O-N 2.87Å; S1018-E1022 WeakPolarHBondContact O-CB 3.04Å; S1018-E1022 PolarHBondContact O-N 2.97Å |
| 1019 | R | 90.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 22.2 Ų | 22.2 | 28% | 0.279 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.8 | -34.4 | 174.7 | -169.9 | -179.8 | -169.6 | -153.2 | -13.7 | 113.1 | K928 E932 I1015 I1017 A1023 Y1123 | K928-R1019 VanDerWaalsContact NZ-NE 3.18Å; K928-R1019 VanDerWaalsContact NZ-NH2 3.19Å; E932-R1019 VanDerWaalsContact CD-CZ 3.48Å; E932-R1019 IonicContact OE1-CZ 2.64Å; E932-R1019 IonicContact OE1-NH1 2.69Å; E932-R1019 PolarHBondContact OE1-NH1 3.13Å; E932-R1019 IonicContact OE1-NH2 3.35Å; E932-R1019 PolarHBondContact OE1-NH2 3.46Å; E932-R1019 IonicContact OE2-CZ 3.01Å; E932-R1019 IonicContact OE2-NE 3.91Å; E932-R1019 IonicContact OE2-NH1 3.12Å; E932-R1019 PolarHBondContact OE2-NH1 3.47Å; E932-R1019 IonicContact OE2-NH2 3.69Å; E932-R1019 PolarHBondContact OE2-NH2 3.11Å; I1015-R1019 VanDerWaalsContact O-CB 3.27Å; I1015-R1019 WeakPolarHBondContact O-CB 3.49Å; I1015-R1019 PolarHBondContact O-N 3.33Å; I1017-R1019 VanDerWaalsContact C-N 3.3Å; I1017-R1019 PolarHBondContact O-N 3.35Å; R1019-A1023 PolarHBondContact O-N 3.09Å; R1019-Y1123 HydrophobicContact CB-CD1 4.47Å; R1019-Y1123 HydrophobicContact CB-CE1 3.86Å; R1019-Y1123 HydrophobicContact CB-CE2 4.45Å; R1019-Y1123 WeakPolarHBondContact CD-OH 3.25Å; R1019-Y1123 HydrophobicContact CG-CE1 3.77Å; R1019-Y1123 PolarHBondContact NE-OH 3.01Å |
| 1020 | L | 91.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.1 | -44.8 | 177.4 | -179.8 | 63.1 | 0 | 0 | 0 | 111.5 | L925 K928 L929 Y937 F978 H1016 I1017 S1018 G1024 | L925-L1020 HydrophobicContact CB-CD1 4.47Å; L925-L1020 HydrophobicContact CD2-CD1 3.45Å; L925-L1020 VanDerWaalsContact CD2-CD1 3.45Å; L925-L1020 HydrophobicContact CD2-CD2 4.24Å; L925-L1020 HydrophobicContact CD2-CG 3.49Å; L925-L1020 VanDerWaalsContact CD2-CG 3.49Å; L925-L1020 WeakPolarHBondContact CD2-O 2.91Å; K928-L1020 HydrophobicContact CB-CD1 4.03Å; K928-L1020 HydrophobicContact CG-CD1 4.03Å; L929-L1020 HydrophobicContact CD1-CD1 4.33Å; L929-L1020 HydrophobicContact CD2-CD1 4.07Å; L929-L1020 HydrophobicContact CD2-CD2 4.07Å; L929-L1020 HydrophobicContact CG-CD1 3.82Å; L929-L1020 HydrophobicContact CG-CD2 4.48Å; Y937-L1020 HydrophobicContact CE1-CD2 4.38Å; Y937-L1020 HydrophobicContact CE2-CD2 4.38Å; F978-L1020 HydrophobicContact CE2-CD2 4.1Å; F978-L1020 HydrophobicContact CZ-CD2 4.17Å; H1016-L1020 WeakPolarHBondContact O-CB 3.39Å; H1016-L1020 PolarHBondContact O-N 3.21Å; H1016-L1020 VanDerWaalsContact O-N 3.08Å; I1017-L1020 WeakPolarHBondContact O-CB 3.39Å; I1017-L1020 PolarHBondContact O-N 3.13Å; I1017-L1020 VanDerWaalsContact O-N 3.08Å; S1018-L1020 VanDerWaalsContact C-N 3.31Å; S1018-L1020 PolarHBondContact O-N 3.14Å; L1020-G1024 PolarHBondContact O-N 3.27Å |
| 1021 | I | 92.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.7 | -46.3 | 178.3 | -68.3 | 171 | 0 | 0 | 0 | 110.5 | V975 I1017 S1018 A1023 G1024 V1025 L1077 L1080 | V975-I1021 HydrophobicContact CG1-CD1 3.92Å; V975-I1021 HydrophobicContact CG1-CG1 4.37Å; I1017-I1021 HydrophobicContact CG2-CD1 3.47Å; I1017-I1021 VanDerWaalsContact CG2-CD1 3.47Å; I1017-I1021 HydrophobicContact CG2-CG1 4.18Å; I1017-I1021 WeakPolarHBondContact O-CG1 3.38Å; I1017-I1021 PolarHBondContact O-N 3.37Å; S1018-I1021 PolarHBondContact O-N 2.87Å; I1021-A1023 VanDerWaalsContact C-N 3.3Å; I1021-A1023 PolarHBondContact O-N 3.44Å; I1021-G1024 WeakPolarHBondContact O-CA 2.96Å; I1021-G1024 PolarHBondContact O-N 3.22Å; I1021-V1025 HydrophobicContact CG2-CG2 3.95Å; I1021-V1025 WeakPolarHBondContact O-CG2 3.5Å; I1021-V1025 PolarHBondContact O-N 3.17Å; I1021-L1077 HydrophobicContact CG2-CD2 3.88Å; I1021-L1080 HydrophobicContact CD1-CD2 3.69Å |
| 1022 | E | 92.5 | Very high | 91.3 | Very high | 41 Ų | 41 | 24.8 Ų | 24.8 | 19% | 0.192 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 179.3 | -173.9 | -77.8 | 150.6 | 0 | 0 | 111.1 | S1018 G1024 V1025 A1026 D1126 | S1018-E1022 WeakPolarHBondContact O-CB 3.04Å; S1018-E1022 PolarHBondContact O-N 2.97Å; E1022-G1024 PolarHBondContact O-N 3.27Å; E1022-V1025 PolarHBondContact O-N 2.74Å; E1022-V1025 VanDerWaalsContact O-N 3.11Å; E1022-A1026 VanDerWaalsContact O-CB 3.29Å; E1022-A1026 WeakPolarHBondContact O-CB 3.42Å; E1022-A1026 PolarHBondContact O-N 2.95Å; E1022-D1126 HydrophobicContact CG-CB 4.04Å |
| 1023 | A | 91.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 20% | 0.198 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.2 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K928 R1019 I1021 E1027 | K928-A1023 HydrophobicContact CB-CB 4.47Å; K928-A1023 HydrophobicContact CD-CB 4.23Å; K928-A1023 HydrophobicContact CG-CB 4.27Å; R1019-A1023 PolarHBondContact O-N 3.09Å; I1021-A1023 VanDerWaalsContact C-N 3.3Å; I1021-A1023 PolarHBondContact O-N 3.44Å; A1023-E1027 PolarHBondContact O-N 2.76Å |
| 1024 | G | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.3 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F921 L1020 I1021 E1022 E1027 I1028 | F921-G1024 VanDerWaalsContact CD2-CA 3.43Å; F921-G1024 VanDerWaalsContact CD2-O 3.29Å; F921-G1024 WeakPolarHBondContact CD2-O 3.48Å; F921-G1024 VanDerWaalsContact CE2-CA 3.46Å; L1020-G1024 PolarHBondContact O-N 3.27Å; I1021-G1024 WeakPolarHBondContact O-CA 2.96Å; I1021-G1024 PolarHBondContact O-N 3.22Å; E1022-G1024 PolarHBondContact O-N 3.27Å; G1024-E1027 PolarHBondContact O-N 3.14Å; G1024-I1028 PolarHBondContact O-N 2.89Å; G1024-I1028 VanDerWaalsContact O-N 3.16Å |
| 1025 | V | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | F921 I1021 E1022 E1027 I1028 V1029 L1065 S1130 L1134 | F921-V1025 HydrophobicContact CE2-CG2 4.01Å; I1021-V1025 HydrophobicContact CG2-CG2 3.95Å; I1021-V1025 WeakPolarHBondContact O-CG2 3.5Å; I1021-V1025 PolarHBondContact O-N 3.17Å; E1022-V1025 PolarHBondContact O-N 2.74Å; E1022-V1025 VanDerWaalsContact O-N 3.11Å; V1025-E1027 VanDerWaalsContact C-N 3.31Å; V1025-E1027 PolarHBondContact O-N 3.04Å; V1025-I1028 PolarHBondContact O-N 3.18Å; V1025-I1028 VanDerWaalsContact O-N 3.13Å; V1025-V1029 WeakPolarHBondContact O-CG2 3.29Å; V1025-V1029 PolarHBondContact O-N 2.9Å; V1025-L1065 HydrophobicContact CG1-CD1 4.17Å; V1025-L1065 HydrophobicContact CG2-CD1 4.18Å; V1025-L1065 HydrophobicContact CG2-CD2 4.3Å; V1025-S1130 VanDerWaalsContact CG1-CB 3.49Å; V1025-L1134 HydrophobicContact CG1-CD1 4.04Å |
| 1026 | A | 92.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 29% | 0.289 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1022 I1028 V1029 R1030 | E1022-A1026 VanDerWaalsContact O-CB 3.29Å; E1022-A1026 WeakPolarHBondContact O-CB 3.42Å; E1022-A1026 PolarHBondContact O-N 2.95Å; A1026-I1028 VanDerWaalsContact C-N 3.34Å; A1026-I1028 PolarHBondContact O-N 3.15Å; A1026-V1029 PolarHBondContact O-N 3.23Å; A1026-R1030 PolarHBondContact O-N 3.18Å |
| 1027 | E | 92.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 174.7 | -171.2 | 58.9 | -130 | 0 | 0 | 111.8 | E920 A924 A1023 G1024 V1025 R1030 Y1031 | E920-E1027 HydrophobicContact CB-CG 4.29Å; A924-E1027 HydrophobicContact CB-CB 3.84Å; A924-E1027 HydrophobicContact CB-CG 4.16Å; A1023-E1027 PolarHBondContact O-N 2.76Å; G1024-E1027 PolarHBondContact O-N 3.14Å; V1025-E1027 VanDerWaalsContact C-N 3.31Å; V1025-E1027 PolarHBondContact O-N 3.04Å; E1027-R1030 PolarHBondContact O-N 3.43Å; E1027-R1030 IonicContact OE1-CZ 2.73Å; E1027-R1030 IonicContact OE1-NE 3.02Å; E1027-R1030 PolarHBondContact OE1-NE 2.91Å; E1027-R1030 IonicContact OE1-NH2 2.85Å; E1027-R1030 PolarHBondContact OE1-NH2 3.13Å; E1027-R1030 IonicContact OE2-CZ 3.6Å; E1027-R1030 IonicContact OE2-NE 3.21Å; E1027-R1030 PolarHBondContact OE2-NE 2.74Å; E1027-R1030 IonicContact OE2-NH2 2.68Å; E1027-R1030 PolarHBondContact OE2-NH2 3.39Å; E1027-Y1031 WeakPolarHBondContact O-CB 3.25Å; E1027-Y1031 PolarHBondContact O-N 2.94Å |
| 1028 | I | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 174.4 | -70.1 | 179.7 | 0 | 0 | 0 | 111.6 | E917 F921 G1024 V1025 A1026 R1030 Y1031 R1032 W1064 L1065 L1134 | E917-I1028 HydrophobicContact CB-CD1 4.22Å; E917-I1028 HydrophobicContact CB-CG1 4.3Å; E917-I1028 HydrophobicContact CB-CG2 4.47Å; E917-I1028 HydrophobicContact CG-CG2 4.17Å; F921-I1028 HydrophobicContact CB-CD1 3.99Å; F921-I1028 HydrophobicContact CB-CG1 4.41Å; F921-I1028 HydrophobicContact CD2-CD1 3.56Å; F921-I1028 HydrophobicContact CD2-CG1 4.2Å; F921-I1028 HydrophobicContact CE2-CD1 4.48Å; F921-I1028 HydrophobicContact CG-CD1 4.22Å; G1024-I1028 PolarHBondContact O-N 2.89Å; G1024-I1028 VanDerWaalsContact O-N 3.16Å; V1025-I1028 PolarHBondContact O-N 3.18Å; V1025-I1028 VanDerWaalsContact O-N 3.13Å; A1026-I1028 VanDerWaalsContact C-N 3.34Å; A1026-I1028 PolarHBondContact O-N 3.15Å; I1028-R1030 VanDerWaalsContact C-N 3.31Å; I1028-R1030 PolarHBondContact O-N 2.66Å; I1028-Y1031 PolarHBondContact O-N 3.18Å; I1028-R1032 HydrophobicContact CG2-CG 4.46Å; I1028-R1032 WeakPolarHBondContact O-CB 3.37Å; I1028-R1032 WeakPolarHBondContact O-CG 3.43Å; I1028-R1032 PolarHBondContact O-N 3.24Å; I1028-W1064 HydrophobicContact CD1-CZ2 3.55Å; I1028-L1065 HydrophobicContact CB-CD1 4.27Å; I1028-L1065 HydrophobicContact CD1-CD1 3.69Å; I1028-L1065 HydrophobicContact CD1-CG 4.38Å; I1028-L1065 HydrophobicContact CG2-CD1 4.12Å; I1028-L1134 HydrophobicContact CG2-CD2 4.01Å |
| 1029 | V | 93.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -49.3 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110 | V1025 A1026 R1032 E1033 S1133 L1134 Q1137 | V1025-V1029 WeakPolarHBondContact O-CG2 3.29Å; V1025-V1029 PolarHBondContact O-N 2.9Å; A1026-V1029 PolarHBondContact O-N 3.23Å; V1029-R1032 PolarHBondContact O-N 2.93Å; V1029-E1033 WeakPolarHBondContact CG1-OE1 3.42Å; V1029-E1033 WeakPolarHBondContact O-CG 3.48Å; V1029-E1033 PolarHBondContact O-N 3.04Å; V1029-S1133 WeakPolarHBondContact CG1-OG 3.36Å; V1029-L1134 HydrophobicContact CG2-CD1 4.4Å; V1029-L1134 HydrophobicContact CG2-CD2 3.78Å; V1029-L1134 HydrophobicContact CG2-CG 3.76Å; V1029-Q1137 PolarHBondContact O-NE2 3.5Å |
| 1030 | R | 92.4 | Very high | 90.9 | Very high | 145 Ų | 145 | 38.8 Ų | 38.8 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.8 | -171.1 | -179.9 | 76.3 | 151.3 | 1.5 | 112.8 | A1026 E1027 I1028 R1032 E1033 T1034 | A1026-R1030 PolarHBondContact O-N 3.18Å; E1027-R1030 PolarHBondContact O-N 3.43Å; E1027-R1030 IonicContact OE1-CZ 2.73Å; E1027-R1030 IonicContact OE1-NE 3.02Å; E1027-R1030 PolarHBondContact OE1-NE 2.91Å; E1027-R1030 IonicContact OE1-NH2 2.85Å; E1027-R1030 PolarHBondContact OE1-NH2 3.13Å; E1027-R1030 IonicContact OE2-CZ 3.6Å; E1027-R1030 IonicContact OE2-NE 3.21Å; E1027-R1030 PolarHBondContact OE2-NE 2.74Å; E1027-R1030 IonicContact OE2-NH2 2.68Å; E1027-R1030 PolarHBondContact OE2-NH2 3.39Å; I1028-R1030 VanDerWaalsContact C-N 3.31Å; I1028-R1030 PolarHBondContact O-N 2.66Å; R1030-R1032 VanDerWaalsContact C-N 3.34Å; R1030-R1032 PolarHBondContact O-N 3.46Å; R1030-E1033 PolarHBondContact O-N 2.99Å; R1030-T1034 WeakPolarHBondContact O-CG2 3.46Å; R1030-T1034 PolarHBondContact O-N 3.32Å; R1030-T1034 PolarHBondContact O-OG1 3.15Å |
| 1031 | Y | 92.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.2 | -178.1 | -101.1 | 0 | 0 | 0 | 111.2 | H913 S916 E917 E920 E1027 I1028 T1034 H1035 | H913-Y1031 AromaticContact CD2-CE1 3.82Å; H913-Y1031 AromaticContact CE1-CD1 3.71Å; H913-Y1031 AromaticContact CE1-CE1 3.49Å; H913-Y1031 VanDerWaalsContact CE1-CE1 3.49Å; H913-Y1031 WeakPolarHBondContact CE1-CE1 3.46Å; H913-Y1031 AromaticContact NE2-CD1 3.83Å; H913-Y1031 AromaticContact NE2-CE1 3.34Å; H913-Y1031 VanDerWaalsContact NE2-CE1 3.34Å; H913-Y1031 WeakPolarHBondContact NE2-CE1 3.43Å; S916-Y1031 WeakPolarHBondContact CB-OH 3.48Å; E917-Y1031 HydrophobicContact CG-CD1 3.86Å; E917-Y1031 HydrophobicContact CG-CE1 4.14Å; E920-Y1031 HydrophobicContact CG-CD2 3.76Å; E920-Y1031 HydrophobicContact CG-CE2 4.14Å; E920-Y1031 HydrophobicContact CG-CG 4.2Å; E1027-Y1031 WeakPolarHBondContact O-CB 3.25Å; E1027-Y1031 PolarHBondContact O-N 2.94Å; I1028-Y1031 PolarHBondContact O-N 3.18Å; Y1031-T1034 PolarHBondContact O-N 3.26Å; Y1031-T1034 PolarHBondContact O-OG1 3.29Å; Y1031-H1035 AromaticContact CD2-CE1 3.71Å; Y1031-H1035 AromaticContact CD2-ND1 3.57Å; Y1031-H1035 HydrophobicContact CE1-CB 4.5Å; Y1031-H1035 AromaticContact CE2-CE1 3.53Å; Y1031-H1035 AromaticContact CE2-CG 3.84Å; Y1031-H1035 AromaticContact CE2-ND1 3.52Å; Y1031-H1035 AromaticContact CE2-NE2 3.83Å; Y1031-H1035 AromaticContact CZ-CG 3.96Å; Y1031-H1035 WeakPolarHBondContact O-CB 3.4Å; Y1031-H1035 PolarHBondContact O-N 2.95Å; Y1031-H1035 PolarHBondContact O-ND1 3.07Å; Y1031-H1035 VanDerWaalsContact O-ND1 3.08Å |
| 1032 | R | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.2 | -78.8 | -179 | 176.5 | -155.8 | -4.7 | 112.8 | E917 I1028 V1029 R1030 T1034 H1035 L1036 P1062 C1063 | E917-R1032 VanDerWaalsContact CD-NE 3.34Å; E917-R1032 IonicContact OE1-CZ 2.79Å; E917-R1032 IonicContact OE1-NE 2.92Å; E917-R1032 PolarHBondContact OE1-NE 3.46Å; E917-R1032 IonicContact OE1-NH2 3.84Å; E917-R1032 PolarHBondContact OE1-NH2 3.05Å; E917-R1032 VanDerWaalsContact OE1-NH2 3.13Å; E917-R1032 IonicContact OE2-CZ 3.72Å; E917-R1032 IonicContact OE2-NE 3.89Å; E917-R1032 IonicContact OE2-NH2 3.28Å; E917-R1032 PolarHBondContact OE2-NH2 3.36Å; I1028-R1032 HydrophobicContact CG2-CG 4.46Å; I1028-R1032 WeakPolarHBondContact O-CB 3.37Å; I1028-R1032 WeakPolarHBondContact O-CG 3.43Å; I1028-R1032 PolarHBondContact O-N 3.24Å; V1029-R1032 PolarHBondContact O-N 2.93Å; R1030-R1032 VanDerWaalsContact C-N 3.34Å; R1030-R1032 PolarHBondContact O-N 3.46Å; R1032-T1034 PolarHBondContact O-N 3.14Å; R1032-H1035 PolarHBondContact O-N 3.41Å; R1032-L1036 HydrophobicContact CB-CD1 3.74Å; R1032-L1036 HydrophobicContact CB-CG 4Å; R1032-L1036 HydrophobicContact CG-CD1 4.11Å; R1032-L1036 HydrophobicContact CG-CG 4.26Å; R1032-L1036 WeakPolarHBondContact O-CB 3.48Å; R1032-L1036 WeakPolarHBondContact O-CG 3.47Å; R1032-L1036 PolarHBondContact O-N 2.85Å; R1032-P1062 PolarHBondContact NH2-O 3.14Å; R1032-P1062 VanDerWaalsContact NH2-O 3.14Å; R1032-C1063 PolarHBondContact NH1-SG 3.45Å; R1032-C1063 PolarHBondContact NH2-SG 3.41Å; R1032-C1063 VanDerWaalsContact NH2-SG 3.44Å |
| 1033 | E | 89 | Confident | 89.8 | Confident | 117 Ų | 117 | 44.7 Ų | 44.7 | 55% | 0.547 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.2 | -35.7 | 177.6 | -74.3 | 171.6 | -179.3 | 0 | 0 | 112.3 | V1029 R1030 | V1029-E1033 WeakPolarHBondContact CG1-OE1 3.42Å; V1029-E1033 WeakPolarHBondContact O-CG 3.48Å; V1029-E1033 PolarHBondContact O-N 3.04Å; R1030-E1033 PolarHBondContact O-N 2.99Å |
| 1034 | T | 88.6 | Confident | 89.2 | Confident | 80 Ų | 80 | 48 Ų | 48 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -85.1 | -35.3 | -177.6 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | R1030 Y1031 R1032 | R1030-T1034 WeakPolarHBondContact O-CG2 3.46Å; R1030-T1034 PolarHBondContact O-N 3.32Å; R1030-T1034 PolarHBondContact O-OG1 3.15Å; Y1031-T1034 PolarHBondContact O-N 3.26Å; Y1031-T1034 PolarHBondContact O-OG1 3.29Å; R1032-T1034 PolarHBondContact O-N 3.14Å |
| 1035 | H | 88.8 | Confident | 88.3 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -106.1 | -25.2 | -169.7 | -65.4 | 76.3 | 0 | 0 | 0 | 114.8 | Y1031 R1032 P1037 N1038 L1039 | Y1031-H1035 AromaticContact CD2-CE1 3.71Å; Y1031-H1035 AromaticContact CD2-ND1 3.57Å; Y1031-H1035 HydrophobicContact CE1-CB 4.5Å; Y1031-H1035 AromaticContact CE2-CE1 3.53Å; Y1031-H1035 AromaticContact CE2-CG 3.84Å; Y1031-H1035 AromaticContact CE2-ND1 3.52Å; Y1031-H1035 AromaticContact CE2-NE2 3.83Å; Y1031-H1035 AromaticContact CZ-CG 3.96Å; Y1031-H1035 WeakPolarHBondContact O-CB 3.4Å; Y1031-H1035 PolarHBondContact O-N 2.95Å; Y1031-H1035 PolarHBondContact O-ND1 3.07Å; Y1031-H1035 VanDerWaalsContact O-ND1 3.08Å; R1032-H1035 PolarHBondContact O-N 3.41Å; H1035-P1037 VanDerWaalsContact C-CD 3.5Å; H1035-N1038 PolarHBondContact O-N 2.9Å; H1035-L1039 PolarHBondContact O-N 2.77Å |
| 1036 | L | 89.6 | Confident | 87.3 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.1 | -40.8 | -179.8 | -73.8 | 178.6 | 0 | 0 | 0 | 113.8 | R1032 N1038 L1039 F1040 L1061 Q1137 W1141 | R1032-L1036 HydrophobicContact CB-CD1 3.74Å; R1032-L1036 HydrophobicContact CB-CG 4Å; R1032-L1036 HydrophobicContact CG-CD1 4.11Å; R1032-L1036 HydrophobicContact CG-CG 4.26Å; R1032-L1036 WeakPolarHBondContact O-CB 3.48Å; R1032-L1036 WeakPolarHBondContact O-CG 3.47Å; R1032-L1036 PolarHBondContact O-N 2.85Å; L1036-N1038 VanDerWaalsContact C-N 3.3Å; L1036-N1038 PolarHBondContact O-N 3.36Å; L1036-L1039 HydrophobicContact CD2-CD2 4.16Å; L1036-L1039 PolarHBondContact O-N 3.28Å; L1036-F1040 WeakPolarHBondContact O-CB 3.36Å; L1036-F1040 PolarHBondContact O-N 3.34Å; L1036-L1061 HydrophobicContact CD1-CD2 3.98Å; L1036-L1061 HydrophobicContact CD2-CD1 3.88Å; L1036-L1061 HydrophobicContact CD2-CD2 3.92Å; L1036-Q1137 HydrophobicContact CD1-CB 4.21Å; L1036-Q1137 HydrophobicContact CD1-CG 4.49Å; L1036-W1141 HydrophobicContact CD2-CE3 4.16Å; L1036-W1141 HydrophobicContact CD2-CZ3 4.04Å |
| 1037 | P | 87.8 | Confident | 86.3 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 178.8 | -24.3 | 35 | 0 | 0 | 0 | 113.1 | H1035 K1041 | H1035-P1037 VanDerWaalsContact C-CD 3.5Å; P1037-K1041 WeakPolarHBondContact O-CG 3.38Å; P1037-K1041 PolarHBondContact O-N 3Å; P1037-K1041 VanDerWaalsContact O-N 3.14Å |
| 1038 | N | 86.3 | Confident | 85 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.8 | -43.4 | 177 | -70.3 | -20.6 | 0 | 0 | 0 | 110.8 | H1035 L1036 F1040 K1041 T1042 | H1035-N1038 PolarHBondContact O-N 2.9Å; L1036-N1038 VanDerWaalsContact C-N 3.3Å; L1036-N1038 PolarHBondContact O-N 3.36Å; N1038-F1040 VanDerWaalsContact C-N 3.3Å; N1038-F1040 PolarHBondContact O-N 2.92Å; N1038-K1041 PolarHBondContact O-N 2.9Å; N1038-T1042 PolarHBondContact O-N 2.83Å; N1038-T1042 PolarHBondContact O-OG1 3.34Å; N1038-T1042 VanDerWaalsContact O-OG1 3.05Å |
| 1039 | L | 88.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 174.7 | -179 | 66.4 | 0 | 0 | 0 | 111.3 | L909 H913 H1035 L1036 T1042 I1043 W1141 | L909-L1039 HydrophobicContact CB-CD1 3.61Å; L909-L1039 HydrophobicContact CD1-CD1 4.43Å; H913-L1039 HydrophobicContact CB-CD2 3.97Å; H1035-L1039 PolarHBondContact O-N 2.77Å; L1036-L1039 HydrophobicContact CD2-CD2 4.16Å; L1036-L1039 PolarHBondContact O-N 3.28Å; L1039-T1042 PolarHBondContact O-N 3.07Å; L1039-I1043 HydrophobicContact CD1-CD1 4.19Å; L1039-I1043 HydrophobicContact CG-CD1 4.07Å; L1039-I1043 WeakPolarHBondContact O-CG1 3.41Å; L1039-I1043 PolarHBondContact O-N 3.31Å; L1039-W1141 HydrophobicContact CD2-CH2 3.94Å; L1039-W1141 HydrophobicContact CD2-CZ3 4.23Å; L1039-W1141 HydrophobicContact CG-CH2 4Å; L1039-W1141 HydrophobicContact CG-CZ3 4.41Å |
| 1040 | F | 85.5 | Confident | 81.5 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 176.7 | -174.3 | -85.5 | 0 | 0 | 0 | 111.3 | L1036 N1038 T1042 I1043 E1044 W1141 E1144 Q1145 | L1036-F1040 WeakPolarHBondContact O-CB 3.36Å; L1036-F1040 PolarHBondContact O-N 3.34Å; N1038-F1040 VanDerWaalsContact C-N 3.3Å; N1038-F1040 PolarHBondContact O-N 2.92Å; F1040-T1042 VanDerWaalsContact C-N 3.3Å; F1040-T1042 PolarHBondContact O-N 3.09Å; F1040-I1043 PolarHBondContact O-N 3.13Å; F1040-I1043 VanDerWaalsContact O-N 3.16Å; F1040-E1044 HydrophobicContact CE1-CB 4.43Å; F1040-E1044 WeakPolarHBondContact O-CB 3.47Å; F1040-E1044 PolarHBondContact O-N 3.31Å; F1040-W1141 HydrophobicContact CB-CH2 4.35Å; F1040-W1141 HydrophobicContact CB-CZ3 3.93Å; F1040-W1141 HydrophobicContact CD2-CE3 4.28Å; F1040-W1141 HydrophobicContact CD2-CH2 4.4Å; F1040-W1141 HydrophobicContact CD2-CZ3 4.18Å; F1040-E1144 HydrophobicContact CD2-CB 4.32Å; F1040-E1144 HydrophobicContact CE2-CB 3.48Å; F1040-E1144 VanDerWaalsContact CE2-CB 3.48Å; F1040-E1144 HydrophobicContact CZ-CB 3.7Å; F1040-Q1145 HydrophobicContact CD2-CG 4.48Å; F1040-Q1145 HydrophobicContact CE2-CG 3.88Å |
| 1041 | K | 84.4 | Confident | 79.3 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.6 | -39.2 | 177.2 | -73.4 | 174 | -176.9 | 176 | 0 | 112.7 | P1037 N1038 S1045 | P1037-K1041 WeakPolarHBondContact O-CG 3.38Å; P1037-K1041 PolarHBondContact O-N 3Å; P1037-K1041 VanDerWaalsContact O-N 3.14Å; N1038-K1041 PolarHBondContact O-N 2.9Å; K1041-S1045 WeakPolarHBondContact O-CB 3.46Å; K1041-S1045 PolarHBondContact O-N 3.16Å; K1041-S1045 PolarHBondContact O-OG 3.45Å |
| 1042 | T | 83.8 | Confident | 77.1 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | L725 L909 N1038 L1039 F1040 S1045 C1046 | L725-T1042 HydrophobicContact CD2-CG2 4.25Å; L909-T1042 HydrophobicContact CD1-CG2 3.87Å; N1038-T1042 PolarHBondContact O-N 2.83Å; N1038-T1042 PolarHBondContact O-OG1 3.34Å; N1038-T1042 VanDerWaalsContact O-OG1 3.05Å; L1039-T1042 PolarHBondContact O-N 3.07Å; F1040-T1042 VanDerWaalsContact C-N 3.3Å; F1040-T1042 PolarHBondContact O-N 3.09Å; T1042-S1045 PolarHBondContact O-N 3.16Å; T1042-S1045 PolarHBondContact O-OG 2.96Å; T1042-C1046 PolarHBondContact O-N 3.26Å; T1042-C1046 PolarHBondContact O-SG 3.14Å |
| 1043 | I | 83.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 176.7 | -67.4 | 172.8 | 0 | 0 | 0 | 110.6 | H907 L909 L1039 F1040 C1046 N1047 Y1059 W1141 | H907-I1043 HydrophobicContact CB-CD1 3.86Å; H907-I1043 HydrophobicContact CB-CG1 4.42Å; L909-I1043 HydrophobicContact CD1-CG1 4.26Å; L1039-I1043 HydrophobicContact CD1-CD1 4.19Å; L1039-I1043 HydrophobicContact CG-CD1 4.07Å; L1039-I1043 WeakPolarHBondContact O-CG1 3.41Å; L1039-I1043 PolarHBondContact O-N 3.31Å; F1040-I1043 PolarHBondContact O-N 3.13Å; F1040-I1043 VanDerWaalsContact O-N 3.16Å; I1043-C1046 WeakPolarHBondContact O-CB 3.48Å; I1043-C1046 PolarHBondContact O-N 3.16Å; I1043-N1047 WeakPolarHBondContact O-CB 3.41Å; I1043-N1047 PolarHBondContact O-N 3.18Å; I1043-Y1059 HydrophobicContact CG2-CD2 3.91Å; I1043-Y1059 HydrophobicContact CG2-CE2 4.33Å; I1043-W1141 HydrophobicContact CD1-CH2 3.77Å; I1043-W1141 HydrophobicContact CD1-CZ2 3.86Å |
| 1044 | E | 79.6 | Confident | 72.7 | Confident | 94 Ų | 94 | 79.7 Ų | 79.7 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.7 | -173.5 | 172.5 | -150.6 | 0 | 0 | 111.9 | F1040 N1047 Y1048 | F1040-E1044 HydrophobicContact CE1-CB 4.43Å; F1040-E1044 WeakPolarHBondContact O-CB 3.47Å; F1040-E1044 PolarHBondContact O-N 3.31Å; E1044-N1047 PolarHBondContact O-N 3.22Å; E1044-Y1048 PolarHBondContact O-N 3.15Å |
| 1045 | S | 75.9 | Confident | 70.9 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 176 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | K1041 T1042 Y1048 Q1049 | K1041-S1045 WeakPolarHBondContact O-CB 3.46Å; K1041-S1045 PolarHBondContact O-N 3.16Å; K1041-S1045 PolarHBondContact O-OG 3.45Å; T1042-S1045 PolarHBondContact O-N 3.16Å; T1042-S1045 PolarHBondContact O-OG 2.96Å; S1045-Y1048 PolarHBondContact O-N 2.75Å; S1045-Q1049 WeakPolarHBondContact O-CG 3.34Å; S1045-Q1049 PolarHBondContact O-N 3.13Å; S1045-Q1049 VanDerWaalsContact O-N 3.11Å |
| 1046 | C | 72.4 | Confident | 69.5 | Low | 4 Ų | 4 | 79.4 Ų | 79.4 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -50.1 | 171.5 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | Y728 T1042 I1043 Y1048 Q1049 M1050 | Y728-C1046 HydrophobicContact CE1-CB 4.09Å; Y728-C1046 HydrophobicContact CE2-CB 4.41Å; Y728-C1046 PolarHBondContact OH-O 3.2Å; T1042-C1046 PolarHBondContact O-N 3.26Å; T1042-C1046 PolarHBondContact O-SG 3.14Å; I1043-C1046 WeakPolarHBondContact O-CB 3.48Å; I1043-C1046 PolarHBondContact O-N 3.16Å; C1046-Y1048 VanDerWaalsContact C-N 3.28Å; C1046-Y1048 PolarHBondContact O-N 3.2Å; C1046-Q1049 PolarHBondContact O-N 3.12Å; C1046-M1050 PolarHBondContact O-N 3.28Å |
| 1047 | N | 71.4 | Confident | 68.3 | Low | 28 Ų | 28 | 81.1 Ų | 81.1 | 15% | 0.15 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 177.4 | -76.6 | -22.1 | 0 | 0 | 0 | 112.8 | I1043 E1044 | I1043-N1047 WeakPolarHBondContact O-CB 3.41Å; I1043-N1047 PolarHBondContact O-N 3.18Å; E1044-N1047 PolarHBondContact O-N 3.22Å |
| 1048 | Y | 64.3 | Low | 67.6 | Low | 201 Ų | 201 | 78.6 Ų | 78.6 | 79% | 0.788 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.5 | -35.4 | 178.3 | -171.8 | -93.2 | 0 | 0 | 0 | 113 | E1044 S1045 C1046 M1050 | E1044-Y1048 PolarHBondContact O-N 3.15Å; S1045-Y1048 PolarHBondContact O-N 2.75Å; C1046-Y1048 VanDerWaalsContact C-N 3.28Å; C1046-Y1048 PolarHBondContact O-N 3.2Å; Y1048-M1050 PolarHBondContact O-N 3.42Å |
| 1049 | Q | 59.5 | Low | 67.4 | Low | 89 Ų | 89 | 74 Ų | 74 | 42% | 0.416 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -27.9 | 177.6 | -73.1 | -179.2 | -2.7 | 0 | 0 | 112.4 | S1045 C1046 K1051 | S1045-Q1049 WeakPolarHBondContact O-CG 3.34Å; S1045-Q1049 PolarHBondContact O-N 3.13Å; S1045-Q1049 VanDerWaalsContact O-N 3.11Å; C1046-Q1049 PolarHBondContact O-N 3.12Å; Q1049-K1051 PolarHBondContact O-N 3.11Å |
| 1050 | M | 54.6 | Low | 67.1 | Low | 48 Ų | 48 | 74.7 Ų | 74.7 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | trans | -69.8 | 95 | 167.3 | -83.3 | 176.7 | 168.4 | 0 | 0 | 110.6 | V746 D747 C1046 Y1048 N1052 | V746-M1050 HydrophobicContact CB-CE 3.35Å; V746-M1050 HydrophobicContact CG1-CE 3.47Å; V746-M1050 VanDerWaalsContact CG1-CE 3.47Å; D747-M1050 WeakPolarHBondContact OD1-CE 3.32Å; C1046-M1050 PolarHBondContact O-N 3.28Å; Y1048-M1050 PolarHBondContact O-N 3.42Å; M1050-N1052 PolarHBondContact O-N 3.4Å | ||
| 1051 | K | 46.8 | Very low | 67.2 | Low | 173 Ų | 173 | 73.6 Ų | 73.6 | 75% | 0.752 | 35% | 0.352 | S | S | * | . | trans | -58.2 | -9.3 | 175.8 | -78.3 | -179.8 | 177.7 | 174 | 0 | 114.9 | Q1049 K1053 | Q1049-K1051 PolarHBondContact O-N 3.11Å; K1051-K1053 VanDerWaalsContact C-N 3.28Å; K1051-K1053 PolarHBondContact O-N 2.92Å | ||
| 1052 | N | 47 | Very low | 67.2 | Low | 129 Ų | 129 | 67.4 Ų | 67.4 | 69% | 0.69 | 33% | 0.326 | S | S | * | . | trans | -74.3 | 80.1 | 175.5 | -74.8 | -7.5 | 0 | 0 | 0 | 110.6 | M1050 L1054 | M1050-N1052 PolarHBondContact O-N 3.4Å; N1052-L1054 PolarHBondContact O-N 2.84Å | ||
| 1053 | K | 44.8 | Very low | 67.5 | Low | 178 Ų | 178 | 65.8 Ų | 65.8 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -7.5 | 174.3 | -72 | -176 | 176.2 | -177.8 | 0 | 114.9 | K1051 | K1051-K1053 VanDerWaalsContact C-N 3.28Å; K1051-K1053 PolarHBondContact O-N 2.92Å |
| 1054 | L | 42.4 | Very low | 67.7 | Low | 120 Ų | 120 | 65.8 Ų | 65.8 | 63% | 0.628 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.1 | -168.3 | -78.4 | 152.3 | 0 | 0 | 0 | 114.7 | N1052 H1174 | N1052-L1054 PolarHBondContact O-N 2.84Å; L1054-H1174 HydrophobicContact CD2-CB 3.95Å |
| 1055 | S | 51.2 | Low | 68.2 | Low | 62 Ų | 62 | 61.5 Ų | 61.5 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | trans | -149.2 | 77.5 | -179.8 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | K1057 | S1055-K1057 PolarHBondContact O-N 3.49Š| ||
| 1056 | K | 59.8 | Low | 68.7 | Low | 91 Ų | 91 | 59.1 Ų | 59.1 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | trans | -64.6 | 99.5 | 166.5 | -165.8 | 171.2 | -178.4 | -179.8 | 0 | 108 | W1148 | K1056-W1148 HydrophobicContact CB-CD2 4.5Å; K1056-W1148 HydrophobicContact CD-CB 4.26Å; K1056-W1148 HydrophobicContact CD-CG 3.94Å; K1056-W1148 VanDerWaalsContact O-CZ2 3.22Å; K1056-W1148 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 1057 | K | 64.3 | Low | 69.1 | Low | 53 Ų | 53 | 59.2 Ų | 59.2 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 147.2 | 176.7 | -76.6 | -176.5 | 166.2 | -154.9 | 0 | 110.3 | E905 S1055 Y1059 | E905-K1057 IonicContact OE1-NZ 3.59Å; E905-K1057 PolarHBondContact OE1-NZ 3.16Å; E905-K1057 VanDerWaalsContact OE1-NZ 3.12Å; E905-K1057 WeakPolarHBondContact OE2-CD 3.42Å; E905-K1057 IonicContact OE2-NZ 3.47Å; E905-K1057 PolarHBondContact OE2-NZ 2.89Å; S1055-K1057 PolarHBondContact O-N 3.49Å; K1057-Y1059 HydrophobicContact CB-CE1 4.49Å |
| 1058 | V | 73 | Confident | 69.4 | Low | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 120.2 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 108.4 | Y1060 Q1145 W1148 V1184 | V1058-Y1060 HydrophobicContact CG1-CE1 4.46Å; V1058-Y1060 HydrophobicContact CG1-CE2 4.28Å; V1058-Q1145 HydrophobicContact CG1-CB 4.08Å; V1058-W1148 HydrophobicContact CG2-CZ2 3.8Å; V1058-V1184 HydrophobicContact CB-CG2 4.21Å; V1058-V1184 HydrophobicContact CG1-CG1 4.46Å; V1058-V1184 HydrophobicContact CG2-CG1 3.83Å; V1058-V1184 HydrophobicContact CG2-CG2 3.8Å |
| 1059 | Y | 82.7 | Confident | 69.9 | Low | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 124.7 | 178.3 | -60.8 | -65.9 | 0 | 0 | 0 | 110.6 | E905 H907 I1043 K1057 W1141 | E905-Y1059 HydrophobicContact CB-CD1 4.44Å; E905-Y1059 WeakPolarHBondContact O-CA 3.4Å; H907-Y1059 HydrophobicContact CB-CD1 3.96Å; H907-Y1059 HydrophobicContact CB-CD2 4.05Å; H907-Y1059 HydrophobicContact CB-CE1 4.42Å; H907-Y1059 HydrophobicContact CB-CG 3.75Å; H907-Y1059 AromaticContact CD2-CE2 3.77Å; H907-Y1059 AromaticContact CD2-CZ 3.87Å; I1043-Y1059 HydrophobicContact CG2-CD2 3.91Å; I1043-Y1059 HydrophobicContact CG2-CE2 4.33Å; K1057-Y1059 HydrophobicContact CB-CE1 4.49Å; Y1059-W1141 PolarHBondContact O-NE1 3.47Å |
| 1060 | Y | 82 | Confident | 70.6 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 144.6 | 177.5 | -65.3 | -83.2 | 0 | 0 | 0 | 111.3 | A904 E905 T906 V1058 P1062 R1187 | A904-Y1060 HydrophobicContact CB-CD2 3.99Å; A904-Y1060 HydrophobicContact CB-CE2 4.16Å; E905-Y1060 PolarHBondContact O-N 3.47Å; T906-Y1060 WeakPolarHBondContact CB-O 3.49Å; T906-Y1060 PolarHBondContact OG1-O 3.16Å; V1058-Y1060 HydrophobicContact CG1-CE1 4.46Å; V1058-Y1060 HydrophobicContact CG1-CE2 4.28Å; Y1060-P1062 VanDerWaalsContact O-CD 3.24Å; Y1060-P1062 WeakPolarHBondContact O-CD 3.37Å; Y1060-R1187 HydrophobicContact CE1-CB 4.19Å; Y1060-R1187 WeakPolarHBondContact OH-CB 3.39Å; Y1060-R1187 WeakPolarHBondContact OH-CD 3.35Å |
| 1061 | L | 87.3 | Confident | 71.6 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | trans | -84.6 | 112.5 | 175.3 | -176.2 | 68.5 | 0 | 0 | 0 | 110 | L1036 R1138 W1141 | L1036-L1061 HydrophobicContact CD1-CD2 3.98Å; L1036-L1061 HydrophobicContact CD2-CD1 3.88Å; L1036-L1061 HydrophobicContact CD2-CD2 3.92Å; L1061-R1138 HydrophobicContact CD2-CG 4.49Å; L1061-W1141 HydrophobicContact CB-CB 4.25Å; L1061-W1141 HydrophobicContact CB-CD2 3.99Å; L1061-W1141 HydrophobicContact CB-CG 3.69Å; L1061-W1141 HydrophobicContact CD1-CD2 4.5Å; L1061-W1141 HydrophobicContact CD2-CB 4.3Å; L1061-W1141 HydrophobicContact CD2-CD2 4.41Å; L1061-W1141 HydrophobicContact CD2-CG 4.32Å | ||
| 1062 | P | 86 | Confident | 73.4 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | trans | -72.7 | 150.4 | 176.1 | 32.8 | -38.1 | 0 | 0 | 0 | 111.3 | L754 L757 T906 C910 M914 R1032 Y1060 | L754-P1062 HydrophobicContact CD1-CB 3.71Å; L757-P1062 HydrophobicContact CD2-CB 3.68Å; L757-P1062 HydrophobicContact CD2-CG 3.39Å; T906-P1062 WeakPolarHBondContact OG1-CD 3.34Å; C910-P1062 HydrophobicContact CB-CG 4.33Å; M914-P1062 HydrophobicContact CE-CB 3.47Å; M914-P1062 VanDerWaalsContact CE-CB 3.47Å; M914-P1062 HydrophobicContact CE-CG 3.74Å; R1032-P1062 PolarHBondContact NH2-O 3.14Å; R1032-P1062 VanDerWaalsContact NH2-O 3.14Å; Y1060-P1062 VanDerWaalsContact O-CD 3.24Å; Y1060-P1062 WeakPolarHBondContact O-CD 3.37Å | ||
| 1063 | C | 88.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -149.7 | 93.7 | -179.6 | -174.7 | 0 | 0 | 0 | 0 | 112 | R1032 L1065 T1066 D1067 R1138 | R1032-C1063 PolarHBondContact NH1-SG 3.45Å; R1032-C1063 PolarHBondContact NH2-SG 3.41Å; R1032-C1063 VanDerWaalsContact NH2-SG 3.44Å; C1063-L1065 PolarHBondContact O-N 3.31Å; C1063-T1066 VanDerWaalsContact CB-OG1 3.29Å; C1063-T1066 WeakPolarHBondContact CB-OG1 3.48Å; C1063-T1066 PolarHBondContact O-N 2.77Å; C1063-T1066 PolarHBondContact SG-OG1 3.1Å; C1063-D1067 PolarHBondContact N-OD2 3.34Å; C1063-D1067 VanDerWaalsContact O-CB 3.31Å; C1063-D1067 WeakPolarHBondContact O-CB 3.49Å; C1063-D1067 PolarHBondContact O-N 3.06Å; C1063-R1138 HydrophobicContact CB-CG 4.34Å | ||
| 1064 | W | 89 | Confident | 77.3 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10.7 | -180 | 71.3 | -80.8 | 0 | 0 | 0 | 115.1 | I763 M914 L918 F921 I971 P972 I1028 G1072 L1073 | I763-W1064 HydrophobicContact CG2-CB 4.48Å; M914-W1064 HydrophobicContact CE-CB 4.24Å; M914-W1064 HydrophobicContact SD-CB 4.35Å; L918-W1064 HydrophobicContact CD2-CD2 4.07Å; L918-W1064 HydrophobicContact CD2-CE3 4.32Å; L918-W1064 HydrophobicContact CD2-CH2 3.81Å; L918-W1064 HydrophobicContact CD2-CZ2 3.51Å; L918-W1064 HydrophobicContact CD2-CZ3 4.18Å; F921-W1064 HydrophobicContact CB-CZ2 4.47Å; F921-W1064 HydrophobicContact CD1-CH2 4.46Å; F921-W1064 HydrophobicContact CD2-CH2 4.2Å; F921-W1064 HydrophobicContact CD2-CZ2 4.25Å; F921-W1064 HydrophobicContact CE2-CH2 4.37Å; F921-W1064 HydrophobicContact CG-CH2 4.24Å; F921-W1064 HydrophobicContact CG-CZ2 4.35Å; I971-W1064 HydrophobicContact CG2-CH2 4.14Å; P972-W1064 HydrophobicContact CB-CE3 4.1Å; P972-W1064 HydrophobicContact CB-CZ3 4Å; P972-W1064 HydrophobicContact CG-CE3 3.83Å; P972-W1064 HydrophobicContact CG-CZ3 3.72Å; I1028-W1064 HydrophobicContact CD1-CZ2 3.55Å; W1064-G1072 CarbonylContact O-C 3.49Å; W1064-G1072 WeakPolarHBondContact O-CA 3.2Å; W1064-L1073 HydrophobicContact CE3-CD1 3.74Å; W1064-L1073 HydrophobicContact CE3-CG 4.25Å; W1064-L1073 HydrophobicContact CH2-CD1 4.43Å; W1064-L1073 HydrophobicContact CZ3-CD1 3.36Å; W1064-L1073 HydrophobicContact CZ3-CG 4.33Å; W1064-L1073 PolarHBondContact O-N 3.47Å |
| 1065 | L | 89.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -29.1 | 173.2 | -69.2 | 177.2 | 0 | 0 | 0 | 113.9 | V1025 I1028 C1063 L1073 G1074 L1077 L1134 | V1025-L1065 HydrophobicContact CG1-CD1 4.17Å; V1025-L1065 HydrophobicContact CG2-CD1 4.18Å; V1025-L1065 HydrophobicContact CG2-CD2 4.3Å; I1028-L1065 HydrophobicContact CB-CD1 4.27Å; I1028-L1065 HydrophobicContact CD1-CD1 3.69Å; I1028-L1065 HydrophobicContact CD1-CG 4.38Å; I1028-L1065 HydrophobicContact CG2-CD1 4.12Å; C1063-L1065 PolarHBondContact O-N 3.31Å; L1065-L1073 HydrophobicContact CD2-CD1 4.3Å; L1065-G1074 WeakPolarHBondContact O-CA 3.5Å; L1065-G1074 PolarHBondContact O-N 3.27Å; L1065-L1077 HydrophobicContact CB-CD1 4.31Å; L1065-L1077 HydrophobicContact CD2-CD1 4.17Å; L1065-L1077 WeakPolarHBondContact O-CD1 3.26Å; L1065-L1134 HydrophobicContact CB-CD1 3.97Å; L1065-L1134 HydrophobicContact CD1-CD1 3.6Å; L1065-L1134 HydrophobicContact CG-CD1 4.48Å |
| 1066 | T | 85.7 | Confident | 81 | Confident | 8 Ų | 8 | 19.2 Ų | 19.2 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -20.5 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | C1063 L1134 R1138 | C1063-T1066 VanDerWaalsContact CB-OG1 3.29Å; C1063-T1066 WeakPolarHBondContact CB-OG1 3.48Å; C1063-T1066 PolarHBondContact O-N 2.77Å; C1063-T1066 PolarHBondContact SG-OG1 3.1Å; T1066-L1134 HydrophobicContact CG2-CB 3.81Å; T1066-L1134 HydrophobicContact CG2-CD1 4.35Å; T1066-R1138 PolarHBondContact OG1-NH1 3.28Å |
| 1067 | D | 82.1 | Confident | 82.4 | Confident | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -69.4 | 137.9 | 170.6 | -64.6 | -33.4 | 0 | 0 | 0 | 109.4 | L807 C1063 G1072 L1073 G1074 R1138 | L807-D1067 HydrophobicContact CD2-CB 4.19Å; C1063-D1067 PolarHBondContact N-OD2 3.34Å; C1063-D1067 VanDerWaalsContact O-CB 3.31Å; C1063-D1067 WeakPolarHBondContact O-CB 3.49Å; C1063-D1067 PolarHBondContact O-N 3.06Å; D1067-G1072 CarbonylContact O-C 3.47Å; D1067-G1072 WeakPolarHBondContact O-CA 3.41Å; D1067-L1073 PolarHBondContact O-N 3.22Å; D1067-G1074 PolarHBondContact O-N 3.2Å; D1067-R1138 IonicContact OD1-CZ 3.54Å; D1067-R1138 IonicContact OD1-NH1 2.77Å; D1067-R1138 PolarHBondContact OD1-NH1 3.36Å; D1067-R1138 IonicContact OD1-NH2 3.48Å; D1067-R1138 PolarHBondContact OD1-NH2 3.16Å |
| 1068 | D | 77 | Confident | 83.6 | Confident | 13 Ų | 13 | 14.1 Ų | 14.1 | 7% | 0.07 | 8% | 0.075 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 162.1 | -179.6 | -69.2 | -35.7 | 0 | 0 | 0 | 112.4 | Y1071 G1072 N1075 | D1068-Y1071 PolarHBondContact O-N 3.15Å; D1068-G1072 PolarHBondContact O-N 3.42Å; D1068-N1075 HydrophobicContact CB-CB 4.46Å; D1068-N1075 PolarHBondContact OD1-N 3.43Å |
| 1069 | E | 75.6 | Confident | 84.3 | Confident | 42 Ų | 42 | 17.8 Ų | 17.8 | 20% | 0.196 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 140.5 | 169.5 | -77 | -172.7 | 128.4 | 0 | 0 | 111.4 | L765 K976 G1072 N1075 I1076 | L765-E1069 HydrophobicContact CB-CG 4.33Å; L765-E1069 HydrophobicContact CD1-CG 3.95Å; K976-E1069 WeakPolarHBondContact CD-OE1 3.42Å; K976-E1069 WeakPolarHBondContact CE-OE1 3.35Å; K976-E1069 IonicContact NZ-OE1 2.74Å; K976-E1069 PolarHBondContact NZ-OE1 3.09Å; E1069-G1072 WeakPolarHBondContact CG-O 3.38Å; E1069-G1072 PolarHBondContact N-O 2.82Å; E1069-N1075 WeakPolarHBondContact CG-OD1 3.29Å; E1069-N1075 PolarHBondContact N-OD1 3.49Å; E1069-N1075 PolarHBondContact OE2-ND2 3.29Å; E1069-I1076 VanDerWaalsContact CD-CD1 3.46Å; E1069-I1076 HydrophobicContact CG-CD1 3.82Å; E1069-I1076 HydrophobicContact CG-CG1 4.4Å; E1069-I1076 WeakPolarHBondContact OE1-CD1 3.38Å |
| 1070 | P | 73.4 | Confident | 84.6 | Confident | 39 Ų | 39 | 17.8 Ų | 17.8 | 25% | 0.253 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86.9 | -0.4 | 10.5 | 35.2 | -38 | 0 | 0 | 0 | 115.5 | L764 L765 M766 | L764-P1070 HydrophobicContact CD1-CB 4.02Å; L764-P1070 HydrophobicContact CD1-CG 4.27Å; L764-P1070 WeakPolarHBondContact CD1-O 3.44Å; L764-P1070 HydrophobicContact CG-CB 4.26Å; L765-P1070 PolarHBondContact N-O 2.71Å; M766-P1070 HydrophobicContact CB-CB 3.83Å; M766-P1070 HydrophobicContact CG-CB 3.87Å |
| 1071 | Y | 75.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 16.7 Ų | 16.7 | 6% | 0.059 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -23.3 | -169.2 | -58 | -69.3 | 0 | 0 | 0 | 114.3 | T755 P758 L764 V804 L807 D1068 | T755-Y1071 HydrophobicContact CG2-CE1 4.5Å; P758-Y1071 HydrophobicContact CG-CD1 4.08Å; L764-Y1071 HydrophobicContact CD1-CD1 3.97Å; L764-Y1071 HydrophobicContact CD1-CE1 4.1Å; V804-Y1071 HydrophobicContact CG1-CE2 4.38Å; V804-Y1071 WeakPolarHBondContact CG1-OH 3.25Å; L807-Y1071 HydrophobicContact CD2-CD2 4.26Å; L807-Y1071 HydrophobicContact CD2-CG 4.43Å; D1068-Y1071 PolarHBondContact O-N 3.15Å |
| 1072 | G | 84.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | trans | -159.4 | -161.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L765 W1064 D1067 D1068 E1069 | L765-G1072 VanDerWaalsContact CD1-O 3.25Å; L765-G1072 WeakPolarHBondContact CD1-O 3.48Å; W1064-G1072 CarbonylContact O-C 3.49Å; W1064-G1072 WeakPolarHBondContact O-CA 3.2Å; D1067-G1072 CarbonylContact O-C 3.47Å; D1067-G1072 WeakPolarHBondContact O-CA 3.41Å; D1068-G1072 PolarHBondContact O-N 3.42Å; E1069-G1072 WeakPolarHBondContact CG-O 3.38Å; E1069-G1072 PolarHBondContact N-O 2.82Å | ||
| 1073 | L | 88 | Confident | 85.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -109.4 | 8.9 | -172.7 | -65.4 | 175 | 0 | 0 | 0 | 113.9 | L765 V975 K976 W1064 L1065 D1067 N1075 I1076 L1077 | L765-L1073 HydrophobicContact CD1-CD2 3.38Å; L765-L1073 HydrophobicContact CD1-CG 4.13Å; V975-L1073 HydrophobicContact CB-CD1 3.77Å; V975-L1073 HydrophobicContact CG1-CD1 3.75Å; V975-L1073 HydrophobicContact CG1-CD2 4.46Å; V975-L1073 HydrophobicContact CG2-CD1 4.28Å; K976-L1073 HydrophobicContact CB-CD2 4.33Å; W1064-L1073 HydrophobicContact CE3-CD1 3.74Å; W1064-L1073 HydrophobicContact CE3-CG 4.25Å; W1064-L1073 HydrophobicContact CH2-CD1 4.43Å; W1064-L1073 HydrophobicContact CZ3-CD1 3.36Å; W1064-L1073 HydrophobicContact CZ3-CG 4.33Å; W1064-L1073 PolarHBondContact O-N 3.47Å; L1065-L1073 HydrophobicContact CD2-CD1 4.3Å; D1067-L1073 PolarHBondContact O-N 3.22Å; L1073-N1075 PolarHBondContact O-N 3.04Å; L1073-I1076 HydrophobicContact CD2-CB 4.36Å; L1073-I1076 HydrophobicContact CD2-CD1 3.55Å; L1073-I1076 HydrophobicContact CD2-CG2 4.47Å; L1073-I1076 CarbonylContact O-C 3.46Å; L1073-I1076 WeakPolarHBondContact O-CA 3.04Å; L1073-I1076 WeakPolarHBondContact O-CB 3.21Å; L1073-I1076 PolarHBondContact O-N 2.91Å; L1073-L1077 HydrophobicContact CB-CG 4.32Å; L1073-L1077 WeakPolarHBondContact O-CG 3.5Å; L1073-L1077 PolarHBondContact O-N 3.06Å |
| 1074 | G | 86.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52 | -60.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1065 D1067 I1076 L1077 L1078 | L1065-G1074 WeakPolarHBondContact O-CA 3.5Å; L1065-G1074 PolarHBondContact O-N 3.27Å; D1067-G1074 PolarHBondContact O-N 3.2Å; G1074-I1076 VanDerWaalsContact C-N 3.27Å; G1074-I1076 PolarHBondContact O-N 3.19Å; G1074-L1077 PolarHBondContact O-N 3.46Å; G1074-L1078 WeakPolarHBondContact O-CG 3.33Å; G1074-L1078 PolarHBondContact O-N 2.89Å |
| 1075 | N | 84.3 | Confident | 85.2 | Confident | 58 Ų | 58 | 20.3 Ų | 20.3 | 31% | 0.31 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -53.3 | -38.7 | 172.6 | 66.3 | -31.7 | 0 | 0 | 0 | 113.8 | D1068 E1069 L1073 K1079 | D1068-N1075 HydrophobicContact CB-CB 4.46Å; D1068-N1075 PolarHBondContact OD1-N 3.43Å; E1069-N1075 WeakPolarHBondContact CG-OD1 3.29Å; E1069-N1075 PolarHBondContact N-OD1 3.49Å; E1069-N1075 PolarHBondContact OE2-ND2 3.29Å; L1073-N1075 PolarHBondContact O-N 3.04Å; N1075-K1079 WeakPolarHBondContact O-CB 3.46Å; N1075-K1079 PolarHBondContact O-N 2.99Å |
| 1076 | I | 86.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 25 Ų | 25 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67 | -45.1 | 178.5 | -69.6 | 165.5 | 0 | 0 | 0 | 111 | L765 K976 C979 E1069 L1073 G1074 K1079 L1080 | L765-I1076 HydrophobicContact CD1-CD1 4.09Å; K976-I1076 HydrophobicContact CB-CD1 3.96Å; K976-I1076 HydrophobicContact CD-CD1 4.14Å; K976-I1076 HydrophobicContact CG-CD1 3.86Å; C979-I1076 HydrophobicContact CB-CG2 3.57Å; C979-I1076 WeakPolarHBondContact SG-CG2 3.39Å; E1069-I1076 VanDerWaalsContact CD-CD1 3.46Å; E1069-I1076 HydrophobicContact CG-CD1 3.82Å; E1069-I1076 HydrophobicContact CG-CG1 4.4Å; E1069-I1076 WeakPolarHBondContact OE1-CD1 3.38Å; L1073-I1076 HydrophobicContact CD2-CB 4.36Å; L1073-I1076 HydrophobicContact CD2-CD1 3.55Å; L1073-I1076 HydrophobicContact CD2-CG2 4.47Å; L1073-I1076 CarbonylContact O-C 3.46Å; L1073-I1076 WeakPolarHBondContact O-CA 3.04Å; L1073-I1076 WeakPolarHBondContact O-CB 3.21Å; L1073-I1076 PolarHBondContact O-N 2.91Å; G1074-I1076 VanDerWaalsContact C-N 3.27Å; G1074-I1076 PolarHBondContact O-N 3.19Å; I1076-K1079 WeakPolarHBondContact O-CB 3.46Å; I1076-K1079 PolarHBondContact O-N 3.26Å; I1076-L1080 PolarHBondContact O-N 3.49Å |
| 1077 | L | 90.2 | Very high | 84.8 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | 177.5 | -67.3 | -178.4 | 0 | 0 | 0 | 111.9 | V975 I1021 L1065 L1073 G1074 K1079 L1080 L1081 I1131 | V975-L1077 HydrophobicContact CG1-CD2 4.43Å; I1021-L1077 HydrophobicContact CG2-CD2 3.88Å; L1065-L1077 HydrophobicContact CB-CD1 4.31Å; L1065-L1077 HydrophobicContact CD2-CD1 4.17Å; L1065-L1077 WeakPolarHBondContact O-CD1 3.26Å; L1073-L1077 HydrophobicContact CB-CG 4.32Å; L1073-L1077 WeakPolarHBondContact O-CG 3.5Å; L1073-L1077 PolarHBondContact O-N 3.06Å; G1074-L1077 PolarHBondContact O-N 3.46Å; L1077-K1079 VanDerWaalsContact C-N 3.29Å; L1077-K1079 PolarHBondContact O-N 3.33Å; L1077-L1080 WeakPolarHBondContact O-CB 3.47Å; L1077-L1080 PolarHBondContact O-N 3.32Å; L1077-L1081 WeakPolarHBondContact O-CB 3.5Å; L1077-L1081 PolarHBondContact O-N 3.39Å; L1077-I1131 HydrophobicContact CB-CD1 4.37Å |
| 1078 | L | 88.8 | Confident | 84.9 | Confident | 36 Ų | 36 | 24.9 Ų | 24.9 | 19% | 0.188 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.7 | -35.2 | 173.6 | -71 | 173.6 | 0 | 0 | 0 | 111.9 | G1074 L1081 T1082 L1198 L1202 | G1074-L1078 WeakPolarHBondContact O-CG 3.33Å; G1074-L1078 PolarHBondContact O-N 2.89Å; L1078-L1081 WeakPolarHBondContact O-CB 3.29Å; L1078-L1081 PolarHBondContact O-N 3.23Å; L1078-T1082 PolarHBondContact O-N 2.98Å; L1078-T1082 PolarHBondContact O-OG1 2.89Å; L1078-L1198 HydrophobicContact CD2-CD1 4.41Å; L1078-L1202 HydrophobicContact CD2-CD2 3.95Å |
| 1079 | K | 87.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 24.9 Ų | 24.9 | 40% | 0.396 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -67.5 | -44 | 173.7 | -161.7 | -176.4 | -177.4 | -174.9 | 0 | 111.5 | D983 N1075 I1076 L1077 L1081 T1082 Y1083 | D983-K1079 WeakPolarHBondContact OD1-CE 3.41Å; D983-K1079 IonicContact OD1-NZ 2.84Å; D983-K1079 PolarHBondContact OD1-NZ 2.89Å; D983-K1079 IonicContact OD2-NZ 3.56Å; D983-K1079 PolarHBondContact OD2-NZ 3.5Å; N1075-K1079 WeakPolarHBondContact O-CB 3.46Å; N1075-K1079 PolarHBondContact O-N 2.99Å; I1076-K1079 WeakPolarHBondContact O-CB 3.46Å; I1076-K1079 PolarHBondContact O-N 3.26Å; L1077-K1079 VanDerWaalsContact C-N 3.29Å; L1077-K1079 PolarHBondContact O-N 3.33Å; K1079-L1081 VanDerWaalsContact C-N 3.32Å; K1079-L1081 PolarHBondContact O-N 3.42Å; K1079-T1082 VanDerWaalsContact O-CB 3.31Å; K1079-T1082 WeakPolarHBondContact O-CB 3.41Å; K1079-T1082 PolarHBondContact O-N 3.26Å; K1079-T1082 VanDerWaalsContact O-N 3.09Å; K1079-Y1083 HydrophobicContact CD-CE2 4.23Å; K1079-Y1083 VanDerWaalsContact CE-OH 3.29Å; K1079-Y1083 WeakPolarHBondContact CE-OH 3.29Å; K1079-Y1083 HydrophobicContact CG-CD2 4.49Å; K1079-Y1083 HydrophobicContact CG-CE2 3.77Å; K1079-Y1083 WeakPolarHBondContact O-CD2 3.41Å; K1079-Y1083 PolarHBondContact O-N 3.46Å; K1079-Y1083 VanDerWaalsContact O-N 3.13Å |
| 1080 | L | 90.3 | Very high | 84.8 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 172.5 | -179.7 | 66 | 0 | 0 | 0 | 111.5 | I982 L1014 I1021 I1076 L1077 T1082 Y1083 L1084 L1127 | I982-L1080 HydrophobicContact CD1-CD1 3.71Å; L1014-L1080 HydrophobicContact CD1-CD1 3.6Å; I1021-L1080 HydrophobicContact CD1-CD2 3.69Å; I1076-L1080 PolarHBondContact O-N 3.49Å; L1077-L1080 WeakPolarHBondContact O-CB 3.47Å; L1077-L1080 PolarHBondContact O-N 3.32Å; L1080-T1082 VanDerWaalsContact C-N 3.29Å; L1080-T1082 PolarHBondContact O-N 3.29Å; L1080-Y1083 PolarHBondContact O-N 3.45Å; L1080-Y1083 VanDerWaalsContact O-N 3.15Å; L1080-L1084 PolarHBondContact O-N 3.16Å; L1080-L1084 VanDerWaalsContact O-N 3.1Å; L1080-L1127 HydrophobicContact CD2-CD2 4.4Å |
| 1081 | L | 90.9 | Very high | 84.5 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 174.5 | 178.4 | 64.5 | 0 | 0 | 0 | 111.5 | L1077 L1078 K1079 Y1083 L1084 V1085 A1124 L1127 I1128 L1202 | L1077-L1081 WeakPolarHBondContact O-CB 3.5Å; L1077-L1081 PolarHBondContact O-N 3.39Å; L1078-L1081 WeakPolarHBondContact O-CB 3.29Å; L1078-L1081 PolarHBondContact O-N 3.23Å; K1079-L1081 VanDerWaalsContact C-N 3.32Å; K1079-L1081 PolarHBondContact O-N 3.42Å; L1081-Y1083 VanDerWaalsContact C-N 3.26Å; L1081-Y1083 PolarHBondContact O-N 3.36Å; L1081-L1084 PolarHBondContact O-N 2.7Å; L1081-V1085 HydrophobicContact CD1-CG2 4.13Å; L1081-V1085 HydrophobicContact CG-CG2 4.24Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.31Å; L1081-V1085 PolarHBondContact O-N 3.44Å; L1081-A1124 HydrophobicContact CD1-CB 3.78Å; L1081-L1127 HydrophobicContact CB-CD2 4.09Å; L1081-L1127 HydrophobicContact CD1-CD2 4.45Å; L1081-I1128 HydrophobicContact CD1-CD1 3.89Å; L1081-I1128 HydrophobicContact CD1-CG1 3.77Å; L1081-I1128 HydrophobicContact CD2-CD1 4Å; L1081-I1128 HydrophobicContact CD2-CG1 3.59Å; L1081-I1128 HydrophobicContact CG-CG1 4.33Å; L1081-L1202 HydrophobicContact CD2-CD2 3.52Å |
| 1082 | T | 88.9 | Confident | 83.7 | Confident | 53 Ų | 53 | 33.1 Ų | 33.1 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.8 | -37 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | L1078 K1079 L1080 K1086 | L1078-T1082 PolarHBondContact O-N 2.98Å; L1078-T1082 PolarHBondContact O-OG1 2.89Å; K1079-T1082 VanDerWaalsContact O-CB 3.31Å; K1079-T1082 WeakPolarHBondContact O-CB 3.41Å; K1079-T1082 PolarHBondContact O-N 3.26Å; K1079-T1082 VanDerWaalsContact O-N 3.09Å; L1080-T1082 VanDerWaalsContact C-N 3.29Å; L1080-T1082 PolarHBondContact O-N 3.29Å; T1082-K1086 HydrophobicContact CG2-CD 4.47Å; T1082-K1086 VanDerWaalsContact O-CG 3.31Å; T1082-K1086 WeakPolarHBondContact O-CG 3.22Å; T1082-K1086 PolarHBondContact O-N 3.02Å |
| 1083 | Y | 87 | Confident | 82.4 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 12% | 0.122 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -44.9 | 174.4 | -67.5 | -61.4 | 0 | 0 | 0 | 112.5 | I982 D983 M986 K1079 L1080 L1081 V1085 K1086 V1087 | I982-Y1083 HydrophobicContact CG2-CD2 3.98Å; I982-Y1083 HydrophobicContact CG2-CE2 4.37Å; I982-Y1083 HydrophobicContact CG2-CG 4.25Å; D983-Y1083 WeakPolarHBondContact OD1-CE2 3.35Å; D983-Y1083 VanDerWaalsContact OD1-CZ 3.28Å; D983-Y1083 PolarHBondContact OD1-OH 3.05Å; M986-Y1083 HydrophobicContact CB-CD1 4.38Å; M986-Y1083 HydrophobicContact CB-CE1 4Å; M986-Y1083 HydrophobicContact CG-CD1 3.85Å; M986-Y1083 HydrophobicContact CG-CE1 3.71Å; K1079-Y1083 HydrophobicContact CD-CE2 4.23Å; K1079-Y1083 VanDerWaalsContact CE-OH 3.29Å; K1079-Y1083 WeakPolarHBondContact CE-OH 3.29Å; K1079-Y1083 HydrophobicContact CG-CD2 4.49Å; K1079-Y1083 HydrophobicContact CG-CE2 3.77Å; K1079-Y1083 WeakPolarHBondContact O-CD2 3.41Å; K1079-Y1083 PolarHBondContact O-N 3.46Å; K1079-Y1083 VanDerWaalsContact O-N 3.13Å; L1080-Y1083 PolarHBondContact O-N 3.45Å; L1080-Y1083 VanDerWaalsContact O-N 3.15Å; L1081-Y1083 VanDerWaalsContact C-N 3.26Å; L1081-Y1083 PolarHBondContact O-N 3.36Å; Y1083-V1085 PolarHBondContact O-N 3.18Å; Y1083-K1086 PolarHBondContact O-N 3.38Å; Y1083-V1087 WeakPolarHBondContact O-CG2 3.45Å; Y1083-V1087 PolarHBondContact O-N 2.68Å; Y1083-V1087 VanDerWaalsContact O-N 3.09Å |
| 1084 | L | 89.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -41.5 | 174.5 | -70.3 | 170.1 | 0 | 0 | 0 | 111.5 | L1014 L1080 L1081 V1087 G1088 C1120 A1124 L1127 | L1014-L1084 HydrophobicContact CD1-CD2 4.2Å; L1014-L1084 HydrophobicContact CD1-CG 4.38Å; L1014-L1084 HydrophobicContact CD2-CD2 4.07Å; L1014-L1084 HydrophobicContact CG-CD2 3.9Å; L1080-L1084 PolarHBondContact O-N 3.16Å; L1080-L1084 VanDerWaalsContact O-N 3.1Å; L1081-L1084 PolarHBondContact O-N 2.7Å; L1084-V1087 PolarHBondContact O-N 3.39Å; L1084-G1088 PolarHBondContact O-N 3.28Å; L1084-C1120 HydrophobicContact CD2-CB 4.3Å; L1084-A1124 HydrophobicContact CB-CB 4.02Å; L1084-A1124 HydrophobicContact CD1-CB 4.43Å; L1084-L1127 HydrophobicContact CD1-CD2 4.36Å |
| 1085 | V | 88.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.1 | -39.2 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | L1081 Y1083 V1087 G1088 S1089 I1205 Q1209 L1210 | L1081-V1085 HydrophobicContact CD1-CG2 4.13Å; L1081-V1085 HydrophobicContact CG-CG2 4.24Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.31Å; L1081-V1085 PolarHBondContact O-N 3.44Å; Y1083-V1085 PolarHBondContact O-N 3.18Å; V1085-V1087 VanDerWaalsContact C-N 3.31Å; V1085-V1087 PolarHBondContact O-N 3.04Å; V1085-G1088 PolarHBondContact O-N 3.41Å; V1085-S1089 VanDerWaalsContact O-CB 3.24Å; V1085-S1089 WeakPolarHBondContact O-CB 3.36Å; V1085-S1089 PolarHBondContact O-N 2.9Å; V1085-S1089 PolarHBondContact O-OG 3.16Å; V1085-I1205 HydrophobicContact CB-CG2 4.37Å; V1085-I1205 HydrophobicContact CG1-CG2 3.94Å; V1085-I1205 HydrophobicContact CG2-CG2 3.47Å; V1085-I1205 VanDerWaalsContact CG2-CG2 3.47Å; V1085-Q1209 HydrophobicContact CG1-CB 3.79Å; V1085-Q1209 VanDerWaalsContact CG1-OE1 3.24Å; V1085-L1210 HydrophobicContact CB-CD2 4.2Å; V1085-L1210 HydrophobicContact CG1-CD2 4.08Å; V1085-L1210 HydrophobicContact CG2-CD1 4.5Å; V1085-L1210 HydrophobicContact CG2-CD2 4.09Å; V1085-L1210 HydrophobicContact CG2-CG 4.42Å |
| 1086 | K | 84.3 | Confident | 77.6 | Confident | 100 Ų | 100 | 41 Ų | 41 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.2 | -78.8 | 174.7 | 179.1 | 179.7 | 0 | 112.5 | T1082 Y1083 S1089 | T1082-K1086 HydrophobicContact CG2-CD 4.47Å; T1082-K1086 VanDerWaalsContact O-CG 3.31Å; T1082-K1086 WeakPolarHBondContact O-CG 3.22Å; T1082-K1086 PolarHBondContact O-N 3.02Å; Y1083-K1086 PolarHBondContact O-N 3.38Å; K1086-S1089 PolarHBondContact O-OG 3.3Å |
| 1087 | V | 83.3 | Confident | 76 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.5 | -45.5 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | V1011 L1014 Y1083 L1084 V1085 S1089 N1090 L1092 C1120 | V1011-V1087 HydrophobicContact CG1-CG1 3.96Å; V1011-V1087 HydrophobicContact CG2-CG1 4.32Å; V1011-V1087 HydrophobicContact CG2-CG2 4.24Å; L1014-V1087 HydrophobicContact CD2-CG2 4.01Å; Y1083-V1087 WeakPolarHBondContact O-CG2 3.45Å; Y1083-V1087 PolarHBondContact O-N 2.68Å; Y1083-V1087 VanDerWaalsContact O-N 3.09Å; L1084-V1087 PolarHBondContact O-N 3.39Å; V1085-V1087 VanDerWaalsContact C-N 3.31Å; V1085-V1087 PolarHBondContact O-N 3.04Å; V1087-S1089 PolarHBondContact O-N 3.43Å; V1087-N1090 PolarHBondContact O-N 2.89Å; V1087-L1092 HydrophobicContact CG2-CD2 4.39Å; V1087-C1120 HydrophobicContact CG1-CB 4.31Å |
| 1088 | G | 84.1 | Confident | 74 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -31.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | L1084 V1085 N1090 | L1084-G1088 PolarHBondContact O-N 3.28Å; V1085-G1088 PolarHBondContact O-N 3.41Å; G1088-N1090 PolarHBondContact O-N 3.06Å; G1088-N1090 VanDerWaalsContact O-N 3.16Å |
| 1089 | S | 80.2 | Confident | 71.8 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 12.2 | -179.8 | 58 | 0 | 0 | 0 | 0 | 114.6 | V1085 K1086 V1087 K1091 Q1209 | V1085-S1089 VanDerWaalsContact O-CB 3.24Å; V1085-S1089 WeakPolarHBondContact O-CB 3.36Å; V1085-S1089 PolarHBondContact O-N 2.9Å; V1085-S1089 PolarHBondContact O-OG 3.16Å; K1086-S1089 PolarHBondContact O-OG 3.3Å; V1087-S1089 PolarHBondContact O-N 3.43Å; S1089-K1091 PolarHBondContact O-N 3.38Å; S1089-Q1209 WeakPolarHBondContact CB-O 3.45Å |
| 1090 | N | 70.7 | Confident | 69.6 | Low | 92 Ų | 92 | 60.6 Ų | 60.6 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 58 | 1.7 | -174.6 | -69.7 | -31.3 | 0 | 0 | 0 | 116.6 | V1087 G1088 L1092 S1093 | V1087-N1090 PolarHBondContact O-N 2.89Å; G1088-N1090 PolarHBondContact O-N 3.06Å; G1088-N1090 VanDerWaalsContact O-N 3.16Å; N1090-L1092 PolarHBondContact O-N 3.33Å; N1090-S1093 WeakPolarHBondContact O-CB 3.27Å; N1090-S1093 PolarHBondContact O-N 2.86Å |
| 1091 | K | 65.9 | Low | 67.1 | Low | 151 Ų | 151 | 67.5 Ų | 67.5 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -33.4 | 178.4 | -72.3 | 179.3 | -179.2 | 173.4 | 0 | 113.4 | S1089 | S1089-K1091 PolarHBondContact O-N 3.38Š|
| 1092 | L | 59.7 | Low | 64.8 | Low | 25 Ų | 25 | 76.1 Ų | 76.1 | 13% | 0.131 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -19.1 | 175.2 | -149.7 | 85 | 0 | 0 | 0 | 112.6 | M986 V1011 V1087 N1090 S1094 L1095 | M986-L1092 HydrophobicContact CE-CD1 3.64Å; M986-L1092 HydrophobicContact CE-CD2 3.8Å; M986-L1092 HydrophobicContact CE-CG 4.36Å; V1011-L1092 HydrophobicContact CG2-CD2 4.48Å; V1087-L1092 HydrophobicContact CG2-CD2 4.39Å; N1090-L1092 PolarHBondContact O-N 3.33Å; L1092-S1094 PolarHBondContact O-N 3.41Å; L1092-L1095 HydrophobicContact CD1-CD1 4.36Å; L1092-L1095 HydrophobicContact CG-CD1 4.42Å; L1092-L1095 WeakPolarHBondContact O-CB 3.21Å; L1092-L1095 PolarHBondContact O-N 3.2Å |
| 1093 | S | 55.7 | Low | 62.5 | Low | 22 Ų | 22 | 79.3 Ų | 79.3 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -69.4 | -22.7 | -170.9 | -150.4 | 0 | 0 | 0 | 0 | 112.5 | N1090 L1095 L1096 | N1090-S1093 WeakPolarHBondContact O-CB 3.27Å; N1090-S1093 PolarHBondContact O-N 2.86Å; S1093-L1095 PolarHBondContact O-N 2.98Å; S1093-L1095 VanDerWaalsContact O-N 3.14Å; S1093-L1096 PolarHBondContact O-N 2.93Å |
| 1094 | S | 55.9 | Low | 60.4 | Low | 92 Ų | 92 | 84.7 Ų | 84.7 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -59.1 | -21.2 | 170.5 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | L1092 | L1092-S1094 PolarHBondContact O-N 3.41Š|
| 1095 | L | 51.2 | Low | 57.8 | Low | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -86.9 | -10.1 | 175.7 | -69.4 | 161 | 0 | 0 | 0 | 113.7 | L1092 S1093 | L1092-L1095 HydrophobicContact CD1-CD1 4.36Å; L1092-L1095 HydrophobicContact CG-CD1 4.42Å; L1092-L1095 WeakPolarHBondContact O-CB 3.21Å; L1092-L1095 PolarHBondContact O-N 3.2Å; S1093-L1095 PolarHBondContact O-N 2.98Å; S1093-L1095 VanDerWaalsContact O-N 3.14Å |
| 1096 | L | 52 | Low | 55.7 | Low | 20 Ų | 20 | 99.6 Ų | 99.6 | 11% | 0.105 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -100.6 | -2.4 | -178.1 | -68.2 | 171 | 0 | 0 | 0 | 113.1 | S1093 N1113 | S1093-L1096 PolarHBondContact O-N 2.93Å; L1096-N1113 PolarHBondContact O-ND2 3.41Å |
| 1097 | V | 51.1 | Low | 53.7 | Low | 99 Ų | 99 | 100 Ų | 100 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -97.2 | 115 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | E1099 | V1097-E1099 PolarHBondContact O-N 3.16Š|
| 1098 | D | 49.2 | Very low | 51.9 | Low | 113 Ų | 113 | 105.6 Ų | 105.6 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | trans | -61.3 | 113.6 | 168.5 | -78.2 | -40.2 | 0 | 0 | 0 | 109.3 | H1100 | D1098-H1100 PolarHBondContact O-N 3.49Å; D1098-H1100 VanDerWaalsContact O-N 3.16Å | ||
| 1099 | E | 43.4 | Very low | 50 | Low | 180 Ų | 180 | 113.3 Ų | 113.3 | 84% | 0.841 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -75.9 | 16 | 170.8 | -83.1 | -159.5 | 156.3 | 0 | 0 | 113.1 | V1097 | V1097-E1099 PolarHBondContact O-N 3.16Š|
| 1100 | H | 40.3 | Very low | 48.5 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | trans | -130.2 | 71.8 | -178.3 | -84.1 | 35 | 0 | 0 | 0 | 112.2 | D1098 | D1098-H1100 PolarHBondContact O-N 3.49Å; D1098-H1100 VanDerWaalsContact O-N 3.16Å | ||
| 1101 | D | 39 | Very low | 47.9 | Very low | 146 Ų | 146 | 118.5 Ų | 118.5 | 78% | 0.781 | 63% | 0.634 | S | S | * | * | trans | -141.1 | 75.1 | 152.5 | -93.9 | -24.5 | 0 | 0 | 0 | 109.3 | ||||
| 1102 | H | 40.8 | Very low | 47.5 | Very low | 184 Ų | 184 | 113.9 Ų | 113.9 | 85% | 0.852 | 62% | 0.619 | S | S | * | * | trans | -73.7 | 125.4 | 153.4 | -83.5 | -64.8 | 0 | 0 | 0 | 107.9 | ||||
| 1103 | V | 42.4 | Very low | 47.9 | Very low | 120 Ų | 120 | 114.8 Ų | 114.8 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 102.6 | 116.9 | 162.9 | -171.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1104 | D | 41.2 | Very low | 48.9 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 78% | 0.775 | 65% | 0.647 | S | S | * | * | trans | 81.7 | 99.1 | 161.4 | -60.3 | -19 | 0 | 0 | 0 | 119.7 | T1106 | D1104-T1106 PolarHBondContact O-N 3Š| ||
| 1105 | Q | 36.5 | Very low | 50.1 | Low | 196 Ų | 196 | 121.8 Ų | 121.8 | 92% | 0.916 | 64% | 0.644 | S | S | * | * | trans | -31.2 | 95.5 | 159.9 | -62.3 | 169.4 | 8.3 | 0 | 0 | 113.5 | ||||
| 1106 | T | 42 | Very low | 51.5 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -133.2 | 100.1 | 146.9 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | D1104 D1108 | D1104-T1106 PolarHBondContact O-N 3Å; T1106-D1108 PolarHBondContact O-N 2.87Å | ||
| 1107 | S | 42.6 | Very low | 53 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 117.5 | 172 | 49.9 | 0 | 0 | 0 | 0 | 110 | ||
| 1108 | D | 47 | Very low | 54.6 | Low | 123 Ų | 123 | 116 Ų | 116 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | -15.7 | 144.1 | -88.5 | -16.5 | 0 | 0 | 0 | 113.4 | T1106 T1111 | T1106-D1108 PolarHBondContact O-N 2.87Å; D1108-T1111 PolarHBondContact O-OG1 3.33Å |
| 1109 | Q | 43.6 | Very low | 56.4 | Low | 168 Ų | 168 | 112.7 Ų | 112.7 | 79% | 0.785 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -13.8 | -171.9 | -63.2 | -167.9 | 28.3 | 0 | 0 | 116.6 | P1112 | Q1109-P1112 WeakPolarHBondContact O-CD 3.45Š|
| 1110 | T | 49.6 | Very low | 58.5 | Low | 125 Ų | 125 | 104.1 Ų | 104.1 | 77% | 0.767 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -7.6 | 178.1 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | P1112 | T1110-P1112 VanDerWaalsContact C-CD 3.48Š|
| 1111 | T | 56.8 | Low | 60.9 | Low | 89 Ų | 89 | 96.5 Ų | 96.5 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.1 | -35.6 | -177 | 57 | 0 | 0 | 0 | 0 | 116.8 | D1108 N1113 Q1115 | D1108-T1111 PolarHBondContact O-OG1 3.33Å; T1111-N1113 PolarHBondContact O-N 3.35Å; T1111-Q1115 PolarHBondContact O-N 2.84Å |
| 1112 | P | 58.5 | Low | 63.3 | Low | 54 Ų | 54 | 92.7 Ų | 92.7 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.5 | -33.6 | -171.7 | 27.3 | -32.2 | 0 | 0 | 0 | 113.4 | Q1109 T1110 Q1115 L1116 | Q1109-P1112 WeakPolarHBondContact O-CD 3.45Å; T1110-P1112 VanDerWaalsContact C-CD 3.48Å; P1112-Q1115 PolarHBondContact O-N 3.12Å; P1112-L1116 PolarHBondContact O-N 3.15Å |
| 1113 | N | 67.5 | Low | 65.7 | Low | 45 Ų | 45 | 85.7 Ų | 85.7 | 24% | 0.241 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | -178.7 | -70.1 | -6.1 | 0 | 0 | 0 | 111.7 | L1096 T1111 Q1115 L1116 V1117 | L1096-N1113 PolarHBondContact O-ND2 3.41Å; T1111-N1113 PolarHBondContact O-N 3.35Å; N1113-Q1115 VanDerWaalsContact C-N 3.26Å; N1113-Q1115 PolarHBondContact O-N 3.38Å; N1113-L1116 PolarHBondContact O-N 3.03Å; N1113-V1117 WeakPolarHBondContact O-CG2 3.41Å; N1113-V1117 PolarHBondContact O-N 2.85Å; N1113-V1117 VanDerWaalsContact O-N 3.16Å |
| 1114 | H | 76.2 | Confident | 68 | Low | 136 Ų | 136 | 80 Ų | 80 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -35 | 175.7 | -176 | -89.8 | 0 | 0 | 0 | 111.8 | N1118 | H1114-N1118 WeakPolarHBondContact O-CB 3.33Å; H1114-N1118 PolarHBondContact O-N 3.21Å |
| 1115 | Q | 81.8 | Confident | 70.5 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 176.1 | -172.4 | 172.9 | -4.4 | 0 | 0 | 111.9 | T1111 P1112 N1113 V1117 N1118 D1119 | T1111-Q1115 PolarHBondContact O-N 2.84Å; P1112-Q1115 PolarHBondContact O-N 3.12Å; N1113-Q1115 VanDerWaalsContact C-N 3.26Å; N1113-Q1115 PolarHBondContact O-N 3.38Å; Q1115-V1117 VanDerWaalsContact C-N 3.35Å; Q1115-V1117 PolarHBondContact O-N 3.38Å; Q1115-N1118 PolarHBondContact O-N 3.11Å; Q1115-D1119 WeakPolarHBondContact O-CB 3.18Å; Q1115-D1119 VanDerWaalsContact O-CG 3.24Å; Q1115-D1119 PolarHBondContact O-N 3.42Å |
| 1116 | L | 80.5 | Confident | 73.1 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 178.1 | -66.6 | 173.5 | 0 | 0 | 0 | 112.5 | E1012 I1015 P1112 N1113 D1119 C1120 | E1012-L1116 HydrophobicContact CG-CD1 4.46Å; E1012-L1116 HydrophobicContact CG-CD2 4.32Å; I1015-L1116 HydrophobicContact CD1-CB 4.07Å; I1015-L1116 HydrophobicContact CD1-CD2 3.69Å; I1015-L1116 HydrophobicContact CD1-CG 4.48Å; P1112-L1116 PolarHBondContact O-N 3.15Å; N1113-L1116 PolarHBondContact O-N 3.03Å; L1116-D1119 PolarHBondContact O-N 2.86Å; L1116-C1120 PolarHBondContact O-N 3.08Å |
| 1117 | V | 83.3 | Confident | 75.4 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | N1113 Q1115 D1119 C1120 V1121 | N1113-V1117 WeakPolarHBondContact O-CG2 3.41Å; N1113-V1117 PolarHBondContact O-N 2.85Å; N1113-V1117 VanDerWaalsContact O-N 3.16Å; Q1115-V1117 VanDerWaalsContact C-N 3.35Å; Q1115-V1117 PolarHBondContact O-N 3.38Å; V1117-D1119 VanDerWaalsContact C-N 3.32Å; V1117-D1119 PolarHBondContact O-N 2.96Å; V1117-C1120 WeakPolarHBondContact O-CB 3.41Å; V1117-C1120 PolarHBondContact O-N 3.3Å; V1117-V1121 WeakPolarHBondContact O-CG2 3.46Å; V1117-V1121 PolarHBondContact O-N 2.91Å |
| 1118 | N | 85.5 | Confident | 77.7 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 178.6 | -167.3 | 58.5 | 0 | 0 | 0 | 112.3 | H1114 Q1115 V1121 N1122 R1212 | H1114-N1118 WeakPolarHBondContact O-CB 3.33Å; H1114-N1118 PolarHBondContact O-N 3.21Å; Q1115-N1118 PolarHBondContact O-N 3.11Å; N1118-V1121 PolarHBondContact O-N 3.02Å; N1118-N1122 VanDerWaalsContact O-CG 3.25Å; N1118-N1122 PolarHBondContact O-N 2.68Å; N1118-N1122 PolarHBondContact O-ND2 2.9Å; N1118-N1122 VanDerWaalsContact O-ND2 3.16Å; N1118-R1212 PolarHBondContact OD1-NH2 2.92Å |
| 1119 | D | 86.7 | Confident | 79.9 | Confident | 44 Ų | 44 | 54 Ų | 54 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.3 | -70.3 | -18.3 | 0 | 0 | 0 | 110.9 | Q1115 L1116 V1117 V1121 N1122 Y1123 | Q1115-D1119 WeakPolarHBondContact O-CB 3.18Å; Q1115-D1119 VanDerWaalsContact O-CG 3.24Å; Q1115-D1119 PolarHBondContact O-N 3.42Å; L1116-D1119 PolarHBondContact O-N 2.86Å; V1117-D1119 VanDerWaalsContact C-N 3.32Å; V1117-D1119 PolarHBondContact O-N 2.96Å; D1119-V1121 VanDerWaalsContact C-N 3.3Å; D1119-V1121 PolarHBondContact O-N 3.36Å; D1119-N1122 PolarHBondContact O-N 2.94Å; D1119-Y1123 HydrophobicContact CB-CD2 4.4Å; D1119-Y1123 HydrophobicContact CB-CE2 4.08Å; D1119-Y1123 WeakPolarHBondContact O-CD2 3.4Å; D1119-Y1123 PolarHBondContact O-N 3.21Å |
| 1120 | C | 87.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.2 | -42.6 | 173 | -77.3 | 0 | 0 | 0 | 0 | 112.7 | I1015 L1084 V1087 L1116 V1117 A1124 | I1015-C1120 WeakPolarHBondContact CG1-SG 3.33Å; L1084-C1120 HydrophobicContact CD2-CB 4.3Å; V1087-C1120 HydrophobicContact CG1-CB 4.31Å; L1116-C1120 PolarHBondContact O-N 3.08Å; V1117-C1120 WeakPolarHBondContact O-CB 3.41Å; V1117-C1120 PolarHBondContact O-N 3.3Å; C1120-A1124 WeakPolarHBondContact O-CB 3.35Å; C1120-A1124 PolarHBondContact O-N 2.79Å |
| 1121 | V | 89.2 | Confident | 84.2 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 177 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V1117 N1118 D1119 A1124 I1125 L1210 R1212 | V1117-V1121 WeakPolarHBondContact O-CG2 3.46Å; V1117-V1121 PolarHBondContact O-N 2.91Å; N1118-V1121 PolarHBondContact O-N 3.02Å; D1119-V1121 VanDerWaalsContact C-N 3.3Å; D1119-V1121 PolarHBondContact O-N 3.36Å; V1121-A1124 WeakPolarHBondContact O-CB 3.48Å; V1121-A1124 PolarHBondContact O-N 2.69Å; V1121-I1125 HydrophobicContact CG1-CD1 3.93Å; V1121-I1125 WeakPolarHBondContact O-CG1 3.31Å; V1121-I1125 PolarHBondContact O-N 3.13Å; V1121-L1210 HydrophobicContact CG1-CB 4.38Å; V1121-L1210 HydrophobicContact CG1-CD1 4.38Å; V1121-L1210 HydrophobicContact CG2-CD2 4.26Å; V1121-R1212 HydrophobicContact CG1-CG 3.76Å |
| 1122 | N | 91 | Very high | 85.8 | Confident | 66 Ų | 66 | 36.8 Ų | 36.8 | 35% | 0.353 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.9 | -66.4 | -30.8 | 0 | 0 | 0 | 111.5 | N1118 D1119 A1124 I1125 D1126 | N1118-N1122 VanDerWaalsContact O-CG 3.25Å; N1118-N1122 PolarHBondContact O-N 2.68Å; N1118-N1122 PolarHBondContact O-ND2 2.9Å; N1118-N1122 VanDerWaalsContact O-ND2 3.16Å; D1119-N1122 PolarHBondContact O-N 2.94Å; N1122-A1124 VanDerWaalsContact C-N 3.3Å; N1122-A1124 PolarHBondContact O-N 3.14Å; N1122-I1125 PolarHBondContact O-N 2.99Å; N1122-I1125 VanDerWaalsContact O-N 3.16Å; N1122-D1126 PolarHBondContact O-N 3.31Å |
| 1123 | Y | 90.5 | Very high | 87.4 | Confident | 37 Ų | 37 | 35 Ų | 35 | 15% | 0.145 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -34.2 | 177 | -69.4 | -54.3 | 0 | 0 | 0 | 112.9 | I1015 R1019 D1119 L1127 | I1015-Y1123 HydrophobicContact CG2-CD2 4.11Å; I1015-Y1123 HydrophobicContact CG2-CE2 3.65Å; R1019-Y1123 HydrophobicContact CB-CD1 4.47Å; R1019-Y1123 HydrophobicContact CB-CE1 3.86Å; R1019-Y1123 HydrophobicContact CB-CE2 4.45Å; R1019-Y1123 WeakPolarHBondContact CD-OH 3.25Å; R1019-Y1123 HydrophobicContact CG-CE1 3.77Å; R1019-Y1123 PolarHBondContact NE-OH 3.01Å; D1119-Y1123 HydrophobicContact CB-CD2 4.4Å; D1119-Y1123 HydrophobicContact CB-CE2 4.08Å; D1119-Y1123 WeakPolarHBondContact O-CD2 3.4Å; D1119-Y1123 PolarHBondContact O-N 3.21Å; Y1123-L1127 VanDerWaalsContact O-CB 3.24Å; Y1123-L1127 WeakPolarHBondContact O-CB 3.32Å; Y1123-L1127 PolarHBondContact O-N 2.83Å |
| 1124 | A | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1081 L1084 C1120 V1121 N1122 L1127 I1128 L1210 | L1081-A1124 HydrophobicContact CD1-CB 3.78Å; L1084-A1124 HydrophobicContact CB-CB 4.02Å; L1084-A1124 HydrophobicContact CD1-CB 4.43Å; C1120-A1124 WeakPolarHBondContact O-CB 3.35Å; C1120-A1124 PolarHBondContact O-N 2.79Å; V1121-A1124 WeakPolarHBondContact O-CB 3.48Å; V1121-A1124 PolarHBondContact O-N 2.69Å; N1122-A1124 VanDerWaalsContact C-N 3.3Å; N1122-A1124 PolarHBondContact O-N 3.14Å; A1124-L1127 PolarHBondContact O-N 3.35Å; A1124-I1128 WeakPolarHBondContact O-CB 3.49Å; A1124-I1128 VanDerWaalsContact O-CG1 3.22Å; A1124-I1128 WeakPolarHBondContact O-CG1 3.49Å; A1124-I1128 PolarHBondContact O-N 3.36Å; A1124-L1210 HydrophobicContact CB-CD1 3.87Å |
| 1125 | I | 91.9 | Very high | 89 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 178.5 | -68.2 | 166.6 | 0 | 0 | 0 | 110.9 | V1121 N1122 I1128 R1129 V1206 L1210 L1219 | V1121-I1125 HydrophobicContact CG1-CD1 3.93Å; V1121-I1125 WeakPolarHBondContact O-CG1 3.31Å; V1121-I1125 PolarHBondContact O-N 3.13Å; N1122-I1125 PolarHBondContact O-N 2.99Å; N1122-I1125 VanDerWaalsContact O-N 3.16Å; I1125-I1128 PolarHBondContact O-N 3.49Å; I1125-R1129 WeakPolarHBondContact O-CB 3.46Å; I1125-R1129 PolarHBondContact O-N 2.96Å; I1125-V1206 HydrophobicContact CD1-CG1 4.21Å; I1125-V1206 HydrophobicContact CG1-CG1 3.97Å; I1125-V1206 HydrophobicContact CG1-CG2 4.3Å; I1125-L1210 HydrophobicContact CG1-CD1 4.37Å; I1125-L1219 HydrophobicContact CG2-CD1 4.41Å |
| 1126 | D | 91.1 | Very high | 89.4 | Confident | 46 Ų | 46 | 23.4 Ų | 23.4 | 25% | 0.246 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 179 | -68.8 | -23.9 | 0 | 0 | 0 | 111.2 | E1022 N1122 I1128 R1129 S1130 | E1022-D1126 HydrophobicContact CG-CB 4.04Å; N1122-D1126 PolarHBondContact O-N 3.31Å; D1126-I1128 PolarHBondContact O-N 3.16Å; D1126-R1129 WeakPolarHBondContact O-CB 3.38Å; D1126-R1129 PolarHBondContact O-N 2.68Å; D1126-R1129 IonicContact OD1-CZ 3.65Å; D1126-R1129 IonicContact OD1-NH1 2.85Å; D1126-R1129 PolarHBondContact OD1-NH1 2.74Å; D1126-S1130 PolarHBondContact O-N 3.4Å; D1126-S1130 PolarHBondContact O-OG 3.13Å; D1126-S1130 VanDerWaalsContact O-OG 3.13Å |
| 1127 | L | 90.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61 | -43 | 175.3 | -177.2 | 61.8 | 0 | 0 | 0 | 111.8 | L1080 L1081 L1084 Y1123 A1124 S1130 I1131 | L1080-L1127 HydrophobicContact CD2-CD2 4.4Å; L1081-L1127 HydrophobicContact CB-CD2 4.09Å; L1081-L1127 HydrophobicContact CD1-CD2 4.45Å; L1084-L1127 HydrophobicContact CD1-CD2 4.36Å; Y1123-L1127 VanDerWaalsContact O-CB 3.24Å; Y1123-L1127 WeakPolarHBondContact O-CB 3.32Å; Y1123-L1127 PolarHBondContact O-N 2.83Å; A1124-L1127 PolarHBondContact O-N 3.35Å; L1127-S1130 PolarHBondContact O-N 2.87Å; L1127-I1131 HydrophobicContact CD1-CD1 4.13Å; L1127-I1131 HydrophobicContact CD1-CG1 4.35Å; L1127-I1131 HydrophobicContact CG-CD1 3.9Å; L1127-I1131 VanDerWaalsContact O-CG1 3.27Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.39Å; L1127-I1131 PolarHBondContact O-N 3.24Å |
| 1128 | I | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 174.7 | -75.4 | 168 | 0 | 0 | 0 | 110.6 | L1081 A1124 I1125 D1126 S1130 I1131 L1132 L1202 I1205 V1206 L1219 | L1081-I1128 HydrophobicContact CD1-CD1 3.89Å; L1081-I1128 HydrophobicContact CD1-CG1 3.77Å; L1081-I1128 HydrophobicContact CD2-CD1 4Å; L1081-I1128 HydrophobicContact CD2-CG1 3.59Å; L1081-I1128 HydrophobicContact CG-CG1 4.33Å; A1124-I1128 WeakPolarHBondContact O-CB 3.49Å; A1124-I1128 VanDerWaalsContact O-CG1 3.22Å; A1124-I1128 WeakPolarHBondContact O-CG1 3.49Å; A1124-I1128 PolarHBondContact O-N 3.36Å; I1125-I1128 PolarHBondContact O-N 3.49Å; D1126-I1128 PolarHBondContact O-N 3.16Å; I1128-S1130 VanDerWaalsContact C-N 3.3Å; I1128-S1130 PolarHBondContact O-N 3.42Å; I1128-I1131 PolarHBondContact O-N 2.81Å; I1128-L1132 HydrophobicContact CG2-CD1 3.77Å; I1128-L1132 HydrophobicContact CG2-CG 4.31Å; I1128-L1132 WeakPolarHBondContact O-CB 3.37Å; I1128-L1132 WeakPolarHBondContact O-CG 3.28Å; I1128-L1132 PolarHBondContact O-N 2.66Å; I1128-L1202 HydrophobicContact CG1-CB 4.39Å; I1128-L1202 HydrophobicContact CG1-CD2 4.34Å; I1128-L1202 HydrophobicContact CG2-CB 3.87Å; I1128-L1202 HydrophobicContact CG2-CD1 4.44Å; I1128-I1205 HydrophobicContact CD1-CG2 4.44Å; I1128-V1206 HydrophobicContact CD1-CG2 3.45Å; I1128-V1206 VanDerWaalsContact CD1-CG2 3.45Å; I1128-L1219 HydrophobicContact CG2-CD1 4.03Å |
| 1129 | R | 93.8 | Very high | 89.8 | Confident | 88 Ų | 88 | 21.2 Ų | 21.2 | 33% | 0.332 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 178.5 | -169.9 | -176.6 | -61.2 | 111.6 | 1.5 | 111 | I1125 D1126 S1133 L1219 F1223 | I1125-R1129 WeakPolarHBondContact O-CB 3.46Å; I1125-R1129 PolarHBondContact O-N 2.96Å; D1126-R1129 WeakPolarHBondContact O-CB 3.38Å; D1126-R1129 PolarHBondContact O-N 2.68Å; D1126-R1129 IonicContact OD1-CZ 3.65Å; D1126-R1129 IonicContact OD1-NH1 2.85Å; D1126-R1129 PolarHBondContact OD1-NH1 2.74Å; R1129-S1133 WeakPolarHBondContact O-CB 3.41Å; R1129-S1133 PolarHBondContact O-N 3.3Å; R1129-L1219 HydrophobicContact CB-CD2 4Å; R1129-L1219 HydrophobicContact CG-CD2 4.14Å; R1129-F1223 HydrophobicContact CG-CE2 4.14Å; R1129-F1223 HydrophobicContact CG-CZ 4.2Å; R1129-F1223 WeakPolarHBondContact O-CZ 3.46Å |
| 1130 | S | 91.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 22.7 Ų | 22.7 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | V1025 D1126 L1127 I1128 L1132 S1133 L1134 | V1025-S1130 VanDerWaalsContact CG1-CB 3.49Å; D1126-S1130 PolarHBondContact O-N 3.4Å; D1126-S1130 PolarHBondContact O-OG 3.13Å; D1126-S1130 VanDerWaalsContact O-OG 3.13Å; L1127-S1130 PolarHBondContact O-N 2.87Å; I1128-S1130 VanDerWaalsContact C-N 3.3Å; I1128-S1130 PolarHBondContact O-N 3.42Å; S1130-L1132 PolarHBondContact O-N 3.16Å; S1130-S1133 PolarHBondContact O-N 3.49Å; S1130-L1134 WeakPolarHBondContact O-CG 3.33Å; S1130-L1134 PolarHBondContact O-N 3.49Å |
| 1131 | I | 90.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.046 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.4 | -70.1 | 168.1 | 0 | 0 | 0 | 110.4 | L1077 L1127 I1128 S1133 L1134 A1135 L1198 L1202 | L1077-I1131 HydrophobicContact CB-CD1 4.37Å; L1127-I1131 HydrophobicContact CD1-CD1 4.13Å; L1127-I1131 HydrophobicContact CD1-CG1 4.35Å; L1127-I1131 HydrophobicContact CG-CD1 3.9Å; L1127-I1131 VanDerWaalsContact O-CG1 3.27Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.39Å; L1127-I1131 PolarHBondContact O-N 3.24Å; I1128-I1131 PolarHBondContact O-N 2.81Å; I1131-S1133 VanDerWaalsContact C-N 3.34Å; I1131-S1133 PolarHBondContact O-N 3.44Å; I1131-L1134 PolarHBondContact O-N 3.42Å; I1131-A1135 WeakPolarHBondContact O-CB 3.49Å; I1131-A1135 PolarHBondContact O-N 3.35Å; I1131-L1198 HydrophobicContact CG2-CD2 4.2Å; I1131-L1202 HydrophobicContact CB-CD1 4.39Å; I1131-L1202 HydrophobicContact CG2-CD1 3.87Å |
| 1132 | L | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 178.2 | -69.9 | 176.6 | 0 | 0 | 0 | 112.1 | I1128 S1130 A1135 K1136 L1198 R1199 L1202 I1203 F1223 | I1128-L1132 HydrophobicContact CG2-CD1 3.77Å; I1128-L1132 HydrophobicContact CG2-CG 4.31Å; I1128-L1132 WeakPolarHBondContact O-CB 3.37Å; I1128-L1132 WeakPolarHBondContact O-CG 3.28Å; I1128-L1132 PolarHBondContact O-N 2.66Å; S1130-L1132 PolarHBondContact O-N 3.16Å; L1132-A1135 PolarHBondContact O-N 2.88Å; L1132-K1136 VanDerWaalsContact O-CB 3.29Å; L1132-K1136 WeakPolarHBondContact O-CB 3.38Å; L1132-K1136 PolarHBondContact O-N 3.05Å; L1132-L1198 HydrophobicContact CD2-CG 4.48Å; L1132-R1199 HydrophobicContact CD2-CB 4.03Å; L1132-R1199 HydrophobicContact CD2-CG 4.3Å; L1132-L1202 HydrophobicContact CD1-CB 4.48Å; L1132-L1202 HydrophobicContact CD2-CB 4.49Å; L1132-L1202 HydrophobicContact CD2-CD1 3.88Å; L1132-L1202 HydrophobicContact CG-CD1 4.01Å; L1132-I1203 HydrophobicContact CD1-CG1 4.27Å; L1132-F1223 HydrophobicContact CB-CD1 3.75Å; L1132-F1223 HydrophobicContact CB-CD2 3.93Å; L1132-F1223 HydrophobicContact CB-CE1 3.46Å; L1132-F1223 VanDerWaalsContact CB-CE1 3.46Å; L1132-F1223 HydrophobicContact CB-CE2 3.64Å; L1132-F1223 HydrophobicContact CB-CG 4Å; L1132-F1223 HydrophobicContact CB-CZ 3.41Å; L1132-F1223 VanDerWaalsContact CB-CZ 3.41Å; L1132-F1223 HydrophobicContact CD1-CD2 3.63Å; L1132-F1223 HydrophobicContact CD1-CE2 3.84Å; L1132-F1223 HydrophobicContact CD1-CG 4.11Å; L1132-F1223 HydrophobicContact CD1-CZ 4.48Å; L1132-F1223 HydrophobicContact CG-CD2 4.43Å; L1132-F1223 HydrophobicContact CG-CE2 4.41Å |
| 1133 | S | 92.6 | Very high | 89.1 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 11% | 0.112 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.5 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | V1029 R1129 S1130 I1131 A1135 K1136 Q1137 | V1029-S1133 WeakPolarHBondContact CG1-OG 3.36Å; R1129-S1133 WeakPolarHBondContact O-CB 3.41Å; R1129-S1133 PolarHBondContact O-N 3.3Å; S1130-S1133 PolarHBondContact O-N 3.49Å; I1131-S1133 VanDerWaalsContact C-N 3.34Å; I1131-S1133 PolarHBondContact O-N 3.44Å; S1133-A1135 VanDerWaalsContact C-N 3.32Å; S1133-A1135 PolarHBondContact O-N 3.14Å; S1133-K1136 PolarHBondContact O-N 3.32Å; S1133-Q1137 VanDerWaalsContact O-CG 3.28Å; S1133-Q1137 WeakPolarHBondContact O-CG 3.27Å; S1133-Q1137 PolarHBondContact O-N 2.91Å |
| 1134 | L | 89.9 | Confident | 88.7 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.2 | -67.5 | 171.7 | 0 | 0 | 0 | 111.9 | V1025 I1028 V1029 L1065 T1066 S1130 I1131 Q1137 R1138 | V1025-L1134 HydrophobicContact CG1-CD1 4.04Å; I1028-L1134 HydrophobicContact CG2-CD2 4.01Å; V1029-L1134 HydrophobicContact CG2-CD1 4.4Å; V1029-L1134 HydrophobicContact CG2-CD2 3.78Å; V1029-L1134 HydrophobicContact CG2-CG 3.76Å; L1065-L1134 HydrophobicContact CB-CD1 3.97Å; L1065-L1134 HydrophobicContact CD1-CD1 3.6Å; L1065-L1134 HydrophobicContact CG-CD1 4.48Å; T1066-L1134 HydrophobicContact CG2-CB 3.81Å; T1066-L1134 HydrophobicContact CG2-CD1 4.35Å; S1130-L1134 WeakPolarHBondContact O-CG 3.33Å; S1130-L1134 PolarHBondContact O-N 3.49Å; I1131-L1134 PolarHBondContact O-N 3.42Å; L1134-Q1137 PolarHBondContact O-N 2.97Å; L1134-R1138 WeakPolarHBondContact O-CG 3.17Å; L1134-R1138 PolarHBondContact O-N 3.44Å |
| 1135 | A | 87.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1131 L1132 S1133 Q1137 R1138 V1139 W1194 Y1195 L1198 | I1131-A1135 WeakPolarHBondContact O-CB 3.49Å; I1131-A1135 PolarHBondContact O-N 3.35Å; L1132-A1135 PolarHBondContact O-N 2.88Å; S1133-A1135 VanDerWaalsContact C-N 3.32Å; S1133-A1135 PolarHBondContact O-N 3.14Å; A1135-Q1137 VanDerWaalsContact C-N 3.35Å; A1135-Q1137 PolarHBondContact O-N 3.12Å; A1135-R1138 WeakPolarHBondContact O-CB 3.4Å; A1135-R1138 PolarHBondContact O-N 3.37Å; A1135-R1138 VanDerWaalsContact O-N 3.17Å; A1135-V1139 WeakPolarHBondContact O-CG2 3.3Å; A1135-V1139 PolarHBondContact O-N 2.83Å; A1135-V1139 VanDerWaalsContact O-N 3.1Å; A1135-W1194 HydrophobicContact CB-CH2 3.71Å; A1135-W1194 HydrophobicContact CB-CZ3 3.69Å; A1135-Y1195 HydrophobicContact CB-CD2 3.68Å; A1135-Y1195 HydrophobicContact CB-CE2 4.12Å; A1135-L1198 HydrophobicContact CB-CD2 4.16Å |
| 1136 | K | 89.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 24.7 Ų | 24.7 | 27% | 0.27 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 175.3 | -177.1 | 177.2 | -177.6 | 176.9 | 0 | 111.8 | L1132 S1133 R1138 V1139 N1140 Y1195 Q1222 F1223 | L1132-K1136 VanDerWaalsContact O-CB 3.29Å; L1132-K1136 WeakPolarHBondContact O-CB 3.38Å; L1132-K1136 PolarHBondContact O-N 3.05Å; S1133-K1136 PolarHBondContact O-N 3.32Å; K1136-R1138 VanDerWaalsContact C-N 3.31Å; K1136-R1138 PolarHBondContact O-N 3Å; K1136-V1139 PolarHBondContact O-N 3.32Å; K1136-N1140 WeakPolarHBondContact O-CB 3.36Å; K1136-N1140 VanDerWaalsContact O-CG 3.32Å; K1136-N1140 PolarHBondContact O-N 3.24Å; K1136-Y1195 HydrophobicContact CB-CE2 4.04Å; K1136-Q1222 PolarHBondContact NZ-O 3.2Å; K1136-F1223 HydrophobicContact CD-CD1 4.12Å; K1136-F1223 HydrophobicContact CD-CE1 4.37Å |
| 1137 | Q | 88.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 25 Ų | 25 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -39.6 | 176.5 | -71.7 | 169.1 | -1.6 | 0 | 0 | 112.2 | V1029 L1036 S1133 L1134 A1135 W1141 | V1029-Q1137 PolarHBondContact O-NE2 3.5Å; L1036-Q1137 HydrophobicContact CD1-CB 4.21Å; L1036-Q1137 HydrophobicContact CD1-CG 4.49Å; S1133-Q1137 VanDerWaalsContact O-CG 3.28Å; S1133-Q1137 WeakPolarHBondContact O-CG 3.27Å; S1133-Q1137 PolarHBondContact O-N 2.91Å; L1134-Q1137 PolarHBondContact O-N 2.97Å; A1135-Q1137 VanDerWaalsContact C-N 3.35Å; A1135-Q1137 PolarHBondContact O-N 3.12Å; Q1137-W1141 WeakPolarHBondContact O-CB 3.43Å; Q1137-W1141 PolarHBondContact O-N 2.97Å |
| 1138 | R | 86.2 | Confident | 86 | Confident | 17 Ų | 17 | 27 Ų | 27 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 175.9 | -66.4 | 176.6 | 75 | 177.2 | 2.9 | 112.3 | L1061 C1063 T1066 D1067 L1134 A1135 K1136 A1142 | L1061-R1138 HydrophobicContact CD2-CG 4.49Å; C1063-R1138 HydrophobicContact CB-CG 4.34Å; T1066-R1138 PolarHBondContact OG1-NH1 3.28Å; D1067-R1138 IonicContact OD1-CZ 3.54Å; D1067-R1138 IonicContact OD1-NH1 2.77Å; D1067-R1138 PolarHBondContact OD1-NH1 3.36Å; D1067-R1138 IonicContact OD1-NH2 3.48Å; D1067-R1138 PolarHBondContact OD1-NH2 3.16Å; L1134-R1138 WeakPolarHBondContact O-CG 3.17Å; L1134-R1138 PolarHBondContact O-N 3.44Å; A1135-R1138 WeakPolarHBondContact O-CB 3.4Å; A1135-R1138 PolarHBondContact O-N 3.37Å; A1135-R1138 VanDerWaalsContact O-N 3.17Å; K1136-R1138 VanDerWaalsContact C-N 3.31Å; K1136-R1138 PolarHBondContact O-N 3Å; R1138-A1142 WeakPolarHBondContact O-CB 3.41Å; R1138-A1142 PolarHBondContact O-N 3.38Å |
| 1139 | V | 83.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.055 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | A1135 K1136 W1141 A1142 I1143 L1191 K1192 Y1195 | A1135-V1139 WeakPolarHBondContact O-CG2 3.3Å; A1135-V1139 PolarHBondContact O-N 2.83Å; A1135-V1139 VanDerWaalsContact O-N 3.1Å; K1136-V1139 PolarHBondContact O-N 3.32Å; V1139-W1141 PolarHBondContact O-N 3.11Å; V1139-A1142 PolarHBondContact O-N 3.06Å; V1139-I1143 HydrophobicContact CG1-CD1 3.84Å; V1139-I1143 HydrophobicContact CG1-CG1 4.39Å; V1139-I1143 VanDerWaalsContact O-CG1 3.3Å; V1139-I1143 WeakPolarHBondContact O-CG1 3.33Å; V1139-I1143 PolarHBondContact O-N 3.5Å; V1139-L1191 HydrophobicContact CG2-CD1 4.46Å; V1139-L1191 HydrophobicContact CG2-CG 4.07Å; V1139-K1192 HydrophobicContact CG1-CG 3.96Å; V1139-Y1195 HydrophobicContact CG2-CD1 4.26Å; V1139-Y1195 HydrophobicContact CG2-CD2 4.43Å; V1139-Y1195 HydrophobicContact CG2-CG 3.84Å |
| 1140 | N | 86.3 | Confident | 84.2 | Confident | 74 Ų | 74 | 24.5 Ų | 24.5 | 40% | 0.396 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.8 | -71.2 | -3.5 | 0 | 0 | 0 | 111.8 | K1136 A1142 I1143 E1144 | K1136-N1140 WeakPolarHBondContact O-CB 3.36Å; K1136-N1140 VanDerWaalsContact O-CG 3.32Å; K1136-N1140 PolarHBondContact O-N 3.24Å; N1140-A1142 VanDerWaalsContact C-N 3.32Å; N1140-A1142 PolarHBondContact O-N 3.16Å; N1140-I1143 PolarHBondContact O-N 3.26Å; N1140-E1144 WeakPolarHBondContact O-CG 3.47Å; N1140-E1144 PolarHBondContact O-N 2.93Å |
| 1141 | W | 87.5 | Confident | 83 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | 174.4 | 177.8 | -80.8 | 0 | 0 | 0 | 112.1 | L1036 L1039 F1040 I1043 Y1059 L1061 Q1137 V1139 I1143 E1144 Q1145 | L1036-W1141 HydrophobicContact CD2-CE3 4.16Å; L1036-W1141 HydrophobicContact CD2-CZ3 4.04Å; L1039-W1141 HydrophobicContact CD2-CH2 3.94Å; L1039-W1141 HydrophobicContact CD2-CZ3 4.23Å; L1039-W1141 HydrophobicContact CG-CH2 4Å; L1039-W1141 HydrophobicContact CG-CZ3 4.41Å; F1040-W1141 HydrophobicContact CB-CH2 4.35Å; F1040-W1141 HydrophobicContact CB-CZ3 3.93Å; F1040-W1141 HydrophobicContact CD2-CE3 4.28Å; F1040-W1141 HydrophobicContact CD2-CH2 4.4Å; F1040-W1141 HydrophobicContact CD2-CZ3 4.18Å; I1043-W1141 HydrophobicContact CD1-CH2 3.77Å; I1043-W1141 HydrophobicContact CD1-CZ2 3.86Å; Y1059-W1141 PolarHBondContact O-NE1 3.47Å; L1061-W1141 HydrophobicContact CB-CB 4.25Å; L1061-W1141 HydrophobicContact CB-CD2 3.99Å; L1061-W1141 HydrophobicContact CB-CG 3.69Å; L1061-W1141 HydrophobicContact CD1-CD2 4.5Å; L1061-W1141 HydrophobicContact CD2-CB 4.3Å; L1061-W1141 HydrophobicContact CD2-CD2 4.41Å; L1061-W1141 HydrophobicContact CD2-CG 4.32Å; Q1137-W1141 WeakPolarHBondContact O-CB 3.43Å; Q1137-W1141 PolarHBondContact O-N 2.97Å; V1139-W1141 PolarHBondContact O-N 3.11Å; W1141-I1143 PolarHBondContact O-N 3.48Å; W1141-E1144 PolarHBondContact O-N 3.36Å; W1141-Q1145 WeakPolarHBondContact O-CB 3.31Å; W1141-Q1145 WeakPolarHBondContact O-CG 3.47Å; W1141-Q1145 PolarHBondContact O-N 2.87Å |
| 1142 | A | 82.9 | Confident | 81.2 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1138 V1139 N1140 S1146 L1188 L1191 | R1138-A1142 WeakPolarHBondContact O-CB 3.41Å; R1138-A1142 PolarHBondContact O-N 3.38Å; V1139-A1142 PolarHBondContact O-N 3.06Å; N1140-A1142 VanDerWaalsContact C-N 3.32Å; N1140-A1142 PolarHBondContact O-N 3.16Å; A1142-S1146 WeakPolarHBondContact O-CB 3.39Å; A1142-S1146 PolarHBondContact O-N 2.97Å; A1142-S1146 PolarHBondContact O-OG 3.23Å; A1142-L1188 HydrophobicContact CB-CD1 3.8Å; A1142-L1191 HydrophobicContact CB-CD2 3.42Å; A1142-L1191 VanDerWaalsContact CB-CD2 3.42Å |
| 1143 | I | 82.3 | Confident | 79 | Confident | 41 Ų | 41 | 32.2 Ų | 32.2 | 21% | 0.21 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -53.2 | 175.3 | -67.7 | 166.6 | 0 | 0 | 0 | 109.8 | V1139 N1140 W1141 Q1145 S1146 T1147 W1150 L1188 | V1139-I1143 HydrophobicContact CG1-CD1 3.84Å; V1139-I1143 HydrophobicContact CG1-CG1 4.39Å; V1139-I1143 VanDerWaalsContact O-CG1 3.3Å; V1139-I1143 WeakPolarHBondContact O-CG1 3.33Å; V1139-I1143 PolarHBondContact O-N 3.5Å; N1140-I1143 PolarHBondContact O-N 3.26Å; W1141-I1143 PolarHBondContact O-N 3.48Å; I1143-Q1145 PolarHBondContact O-N 3.33Å; I1143-S1146 PolarHBondContact O-N 3.41Å; I1143-S1146 VanDerWaalsContact O-N 3.15Å; I1143-S1146 PolarHBondContact O-OG 3.35Å; I1143-T1147 WeakPolarHBondContact O-CG2 3.33Å; I1143-T1147 PolarHBondContact O-N 2.91Å; I1143-W1150 HydrophobicContact CG2-CH2 4.23Å; I1143-W1150 HydrophobicContact CG2-CZ2 4.14Å; I1143-W1150 WeakPolarHBondContact O-CH2 3.48Å; I1143-L1188 HydrophobicContact CG1-CD1 3.94Å |
| 1144 | E | 81.5 | Confident | 76.8 | Confident | 96 Ų | 96 | 39.9 Ų | 39.9 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.8 | -45 | -178.2 | -70.7 | -178.3 | 170.7 | 0 | 0 | 112.2 | F1040 N1140 W1141 S1146 T1147 | F1040-E1144 HydrophobicContact CD2-CB 4.32Å; F1040-E1144 HydrophobicContact CE2-CB 3.48Å; F1040-E1144 VanDerWaalsContact CE2-CB 3.48Å; F1040-E1144 HydrophobicContact CZ-CB 3.7Å; N1140-E1144 WeakPolarHBondContact O-CG 3.47Å; N1140-E1144 PolarHBondContact O-N 2.93Å; W1141-E1144 PolarHBondContact O-N 3.36Å; E1144-S1146 VanDerWaalsContact C-N 3.3Å; E1144-S1146 PolarHBondContact O-N 3Å; E1144-T1147 WeakPolarHBondContact O-CG2 3.3Å; E1144-T1147 PolarHBondContact O-OG1 3.08Å |
| 1145 | Q | 79.6 | Confident | 74.5 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -28.4 | 178.9 | -72.6 | -67.1 | -18.4 | 0 | 0 | 113.6 | F1040 V1058 W1141 I1143 W1148 | F1040-Q1145 HydrophobicContact CD2-CG 4.48Å; F1040-Q1145 HydrophobicContact CE2-CG 3.88Å; V1058-Q1145 HydrophobicContact CG1-CB 4.08Å; W1141-Q1145 WeakPolarHBondContact O-CB 3.31Å; W1141-Q1145 WeakPolarHBondContact O-CG 3.47Å; W1141-Q1145 PolarHBondContact O-N 2.87Å; I1143-Q1145 PolarHBondContact O-N 3.33Å; Q1145-W1148 PolarHBondContact O-NE1 2.81Å |
| 1146 | S | 78.5 | Confident | 72.3 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -101.8 | -0.1 | -174.5 | 58 | 0 | 0 | 0 | 0 | 114.6 | A1142 I1143 E1144 W1148 A1149 W1150 V1184 | A1142-S1146 WeakPolarHBondContact O-CB 3.39Å; A1142-S1146 PolarHBondContact O-N 2.97Å; A1142-S1146 PolarHBondContact O-OG 3.23Å; I1143-S1146 PolarHBondContact O-N 3.41Å; I1143-S1146 VanDerWaalsContact O-N 3.15Å; I1143-S1146 PolarHBondContact O-OG 3.35Å; E1144-S1146 VanDerWaalsContact C-N 3.3Å; E1144-S1146 PolarHBondContact O-N 3Å; S1146-W1148 PolarHBondContact O-N 3.29Å; S1146-A1149 WeakPolarHBondContact O-CB 3.48Å; S1146-A1149 PolarHBondContact O-N 3.36Å; S1146-W1150 WeakPolarHBondContact O-CZ3 3.36Å; S1146-W1150 VanDerWaalsContact OG-CH2 3.23Å; S1146-W1150 WeakPolarHBondContact OG-CH2 3.44Å; S1146-W1150 WeakPolarHBondContact OG-CZ3 3.37Å; S1146-V1184 VanDerWaalsContact CB-CG1 3.45Å |
| 1147 | T | 75.3 | Confident | 69.8 | Low | 54 Ų | 54 | 55.9 Ų | 55.9 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -43.4 | -43.3 | 176.4 | 48 | 0 | 0 | 0 | 0 | 114.3 | I1143 E1144 A1149 W1150 C1151 | I1143-T1147 WeakPolarHBondContact O-CG2 3.33Å; I1143-T1147 PolarHBondContact O-N 2.91Å; E1144-T1147 WeakPolarHBondContact O-CG2 3.3Å; E1144-T1147 PolarHBondContact O-OG1 3.08Å; T1147-A1149 PolarHBondContact O-N 2.99Å; T1147-A1149 VanDerWaalsContact O-N 3.16Å; T1147-W1150 HydrophobicContact CG2-CZ2 4.12Å; T1147-W1150 PolarHBondContact O-N 2.8Å; T1147-C1151 PolarHBondContact O-N 3.08Å; T1147-C1151 VanDerWaalsContact O-N 3.08Å; T1147-C1151 PolarHBondContact O-SG 2.89Å |
| 1148 | W | 75 | Confident | 67.4 | Low | 46 Ų | 46 | 60.6 Ų | 60.6 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -22.7 | 179.3 | 69.5 | -92.1 | 0 | 0 | 0 | 114 | K1056 V1058 Q1145 S1146 W1150 P1176 R1181 V1184 | K1056-W1148 HydrophobicContact CB-CD2 4.5Å; K1056-W1148 HydrophobicContact CD-CB 4.26Å; K1056-W1148 HydrophobicContact CD-CG 3.94Å; K1056-W1148 VanDerWaalsContact O-CZ2 3.22Å; K1056-W1148 WeakPolarHBondContact O-CZ2 3.28Å; V1058-W1148 HydrophobicContact CG2-CZ2 3.8Å; Q1145-W1148 PolarHBondContact O-NE1 2.81Å; S1146-W1148 PolarHBondContact O-N 3.29Å; W1148-W1150 VanDerWaalsContact C-N 3.35Å; W1148-P1176 HydrophobicContact CE3-CG 4.23Å; W1148-P1176 HydrophobicContact CH2-CB 4.43Å; W1148-P1176 HydrophobicContact CZ3-CB 3.84Å; W1148-P1176 HydrophobicContact CZ3-CG 3.79Å; W1148-R1181 HydrophobicContact CH2-CG 4.36Å; W1148-R1181 HydrophobicContact CZ3-CG 3.83Å; W1148-V1184 HydrophobicContact CZ2-CG2 4.22Å |
| 1149 | A | 74.8 | Confident | 65.1 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.5 | -28 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1146 T1147 R1181 V1184 L1185 | S1146-A1149 WeakPolarHBondContact O-CB 3.48Å; S1146-A1149 PolarHBondContact O-N 3.36Å; T1147-A1149 PolarHBondContact O-N 2.99Å; T1147-A1149 VanDerWaalsContact O-N 3.16Å; A1149-R1181 VanDerWaalsContact O-CZ 3.32Å; A1149-R1181 PolarHBondContact O-NE 3.22Å; A1149-R1181 PolarHBondContact O-NH2 2.97Å; A1149-V1184 HydrophobicContact CB-CG1 4.1Å; A1149-L1185 HydrophobicContact CB-CD2 4.38Å; A1149-L1185 HydrophobicContact CB-CG 4.27Å |
| 1150 | W | 72.9 | Confident | 63 | Low | 35 Ų | 35 | 71.5 Ų | 71.5 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -116 | -21.7 | 179.6 | 62.3 | 83.9 | 0 | 0 | 0 | 115.8 | I865 C868 I1143 S1146 T1147 W1148 S1152 L1185 L1188 | I865-W1150 HydrophobicContact CD1-CD2 4.35Å; I865-W1150 HydrophobicContact CD1-CH2 4.14Å; I865-W1150 HydrophobicContact CD1-CZ2 4Å; I865-W1150 HydrophobicContact CD1-CZ3 4.38Å; I865-W1150 HydrophobicContact CG1-CD2 3.82Å; I865-W1150 HydrophobicContact CG1-CE3 4.21Å; I865-W1150 HydrophobicContact CG1-CG 4.08Å; I865-W1150 HydrophobicContact CG1-CZ2 4.31Å; C868-W1150 HydrophobicContact CB-CB 3.91Å; I1143-W1150 HydrophobicContact CG2-CH2 4.23Å; I1143-W1150 HydrophobicContact CG2-CZ2 4.14Å; I1143-W1150 WeakPolarHBondContact O-CH2 3.48Å; S1146-W1150 WeakPolarHBondContact O-CZ3 3.36Å; S1146-W1150 VanDerWaalsContact OG-CH2 3.23Å; S1146-W1150 WeakPolarHBondContact OG-CH2 3.44Å; S1146-W1150 WeakPolarHBondContact OG-CZ3 3.37Å; T1147-W1150 HydrophobicContact CG2-CZ2 4.12Å; T1147-W1150 PolarHBondContact O-N 2.8Å; W1148-W1150 VanDerWaalsContact C-N 3.35Å; W1150-S1152 PolarHBondContact O-N 3.33Å; W1150-L1185 HydrophobicContact CB-CD2 4.45Å; W1150-L1185 HydrophobicContact CE3-CD2 3.61Å; W1150-L1185 HydrophobicContact CZ3-CD2 4.24Å; W1150-L1188 HydrophobicContact CE3-CD2 4.46Å; W1150-L1188 HydrophobicContact CH2-CD2 3.66Å; W1150-L1188 HydrophobicContact CZ3-CD2 3.45Å; W1150-L1188 VanDerWaalsContact CZ3-CD2 3.45Å |
| 1151 | C | 66.1 | Low | 60.9 | Low | 55 Ų | 55 | 75.2 Ų | 75.2 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -67.4 | 130.9 | 175.7 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | T1147 | T1147-C1151 PolarHBondContact O-N 3.08Å; T1147-C1151 VanDerWaalsContact O-N 3.08Å; T1147-C1151 PolarHBondContact O-SG 2.89Å |
| 1152 | S | 53.4 | Low | 58.8 | Low | 63 Ų | 63 | 81.7 Ų | 81.7 | 44% | 0.441 | 44% | 0.443 | S | S | . | . | trans | -72.2 | 128.7 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | W1150 K1154 E1155 | W1150-S1152 PolarHBondContact O-N 3.33Å; S1152-K1154 PolarHBondContact O-N 2.81Å; S1152-E1155 PolarHBondContact O-N 3.46Å; S1152-E1155 VanDerWaalsContact O-N 3.07Å | ||
| 1153 | T | 45.8 | Very low | 56.9 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -55.9 | -17.2 | 179 | 24.9 | 0 | 0 | 0 | 0 | 114.4 | E1155 L1156 L1175 | T1153-E1155 PolarHBondContact O-N 3.01Å; T1153-L1156 PolarHBondContact O-N 3.27Å; T1153-L1175 HydrophobicContact CG2-CD1 3.88Å |
| 1154 | K | 45.1 | Very low | 55.3 | Low | 176 Ų | 176 | 93.6 Ų | 93.6 | 77% | 0.765 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -61.9 | -24.4 | 174.9 | -79.2 | -172.6 | 176 | -177.5 | 0 | 113.4 | S1152 | S1152-K1154 PolarHBondContact O-N 2.81Š|
| 1155 | E | 41.7 | Very low | 53.4 | Low | 157 Ų | 157 | 96 Ų | 96 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -86.6 | -17.9 | -177.1 | -68.6 | 174.4 | -178.7 | 0 | 0 | 113.7 | S1152 T1153 | S1152-E1155 PolarHBondContact O-N 3.46Å; S1152-E1155 VanDerWaalsContact O-N 3.07Å; T1153-E1155 PolarHBondContact O-N 3.01Å |
| 1156 | L | 41.7 | Very low | 51.7 | Low | 137 Ų | 137 | 102.5 Ų | 102.5 | 72% | 0.717 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -93.6 | -4.6 | -175.3 | -74.2 | 163.5 | 0 | 0 | 0 | 114.2 | T1153 | T1153-L1156 PolarHBondContact O-N 3.27Š|
| 1157 | L | 37.3 | Very low | 49.7 | Very low | 105 Ų | 105 | 112.1 Ų | 112.1 | 55% | 0.55 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -98.3 | 108.7 | 172.5 | -73.6 | 160.7 | 0 | 0 | 0 | 107.7 | H1159 I1173 | L1157-H1159 PolarHBondContact O-N 3.05Å; L1157-I1173 HydrophobicContact CD1-CD1 4.47Å; L1157-I1173 HydrophobicContact CD2-CD1 4.48Å |
| 1158 | P | 38.4 | Very low | 48 | Very low | 122 Ų | 122 | 114 Ų | 114 | 79% | 0.792 | 61% | 0.613 | S | S | * | * | trans | -57.2 | 128.3 | 174.4 | 24.9 | -31.3 | 0 | 0 | 0 | 107.4 | G1160 | P1158-G1160 VanDerWaalsContact C-N 3.35Å; P1158-G1160 PolarHBondContact O-N 2.94Å | ||
| 1159 | H | 38.2 | Very low | 46.2 | Very low | 184 Ų | 184 | 120.5 Ų | 120.5 | 85% | 0.852 | 65% | 0.645 | S | S | * | * | trans | -51.5 | 95.6 | -179 | -72.9 | -4.7 | 0 | 0 | 0 | 110.3 | L1157 | L1157-H1159 PolarHBondContact O-N 3.05Š| ||
| 1160 | G | 39.7 | Very low | 44.2 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | -77.8 | 120.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | P1158 | P1158-G1160 VanDerWaalsContact C-N 3.35Å; P1158-G1160 PolarHBondContact O-N 2.94Å | ||
| 1161 | D | 41.5 | Very low | 42.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -46.1 | 144.2 | -174 | -76.5 | -48.9 | 0 | 0 | 0 | 113.9 | D1163 | D1161-D1163 PolarHBondContact O-N 3.11Š| ||
| 1162 | N | 42.9 | Very low | 41.2 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -47.1 | 102.5 | 176.8 | -54.7 | -50.5 | 0 | 0 | 0 | 111.7 | ||||
| 1163 | D | 42.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | -128.8 | 88.8 | 159 | -122.4 | -13.3 | 0 | 0 | 0 | 107.4 | D1161 N1165 | D1161-D1163 PolarHBondContact O-N 3.11Å; D1163-N1165 PolarHBondContact O-N 2.98Å | ||
| 1164 | D | 48.9 | Very low | 40.9 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 24.5 | -171.5 | -80.8 | -31.5 | 0 | 0 | 0 | 114.7 | ||
| 1165 | N | 43 | Very low | 41.3 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 28.1 | -168.7 | -77.2 | -45.2 | 0 | 0 | 0 | 117 | D1163 | D1163-N1165 PolarHBondContact O-N 2.98Š|
| 1166 | L | 42.1 | Very low | 42.1 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -143.4 | 78.8 | 165.7 | -153.4 | 68.1 | 0 | 0 | 0 | 112.5 | T1168 | L1166-T1168 PolarHBondContact O-N 3.08Š| ||
| 1167 | E | 36.9 | Very low | 43.1 | Very low | 204 Ų | 204 | 132 Ų | 132 | 95% | 0.953 | 70% | 0.696 | S | S | * | * | trans | -77.3 | 11.4 | -179.7 | -115.9 | -174 | 176.2 | 0 | 0 | 115.4 | ||||
| 1168 | T | 39.9 | Very low | 44.6 | Very low | 94 Ų | 94 | 131 Ų | 131 | 58% | 0.577 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -120.2 | 116.2 | 174.9 | 45.7 | 0 | 0 | 0 | 0 | 108.7 | L1166 | L1166-T1168 PolarHBondContact O-N 3.08Š|
| 1169 | H | 38.1 | Very low | 45.9 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | trans | 100.4 | 34.5 | -179.6 | -46.8 | -62 | 0 | 0 | 0 | 117.5 | P1171 | H1169-P1171 WeakPolarHBondContact O-CD 3.36Š| ||
| 1170 | R | 32.7 | Very low | 47.4 | Very low | 220 Ų | 220 | 122.6 Ų | 122.6 | 83% | 0.83 | 64% | 0.641 | S | S | * | * | trans | -70.8 | 120.7 | 151 | -86.1 | -173 | -170.5 | 178.4 | 5.5 | 108.5 | H1172 | R1170-H1172 PolarHBondContact O-N 3.24Å; R1170-H1172 VanDerWaalsContact O-N 3.08Å | ||
| 1171 | P | 38.1 | Very low | 49.1 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | trans | -65.5 | 115.3 | 173.6 | 26.6 | -30.1 | 0 | 0 | 0 | 107.4 | H1169 I1173 | H1169-P1171 WeakPolarHBondContact O-CD 3.36Å; P1171-I1173 VanDerWaalsContact C-N 3.31Å; P1171-I1173 PolarHBondContact O-N 2.86Å | ||
| 1172 | H | 38.5 | Very low | 50.6 | Low | 179 Ų | 179 | 113.7 Ų | 113.7 | 83% | 0.829 | 57% | 0.574 | S | S | * | * | trans | -57.3 | 96.2 | 170.3 | -74.6 | -80.2 | 0 | 0 | 0 | 108.5 | R1170 H1174 | R1170-H1172 PolarHBondContact O-N 3.24Å; R1170-H1172 VanDerWaalsContact O-N 3.08Å; H1172-H1174 VanDerWaalsContact C-N 3.26Å; H1172-H1174 PolarHBondContact O-N 3.32Å | ||
| 1173 | I | 45.6 | Very low | 51.9 | Low | 97 Ų | 97 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | trans | -68.1 | 94.3 | 167.7 | -60.7 | 168.8 | 0 | 0 | 0 | 105 | L1157 P1171 L1175 | L1157-I1173 HydrophobicContact CD1-CD1 4.47Å; L1157-I1173 HydrophobicContact CD2-CD1 4.48Å; P1171-I1173 VanDerWaalsContact C-N 3.31Å; P1171-I1173 PolarHBondContact O-N 2.86Å; I1173-L1175 PolarHBondContact O-N 3Å | ||
| 1174 | H | 46 | Very low | 53.5 | Low | 143 Ų | 143 | 100.5 Ų | 100.5 | 66% | 0.662 | 50% | 0.504 | S | S | * | . | trans | -59.6 | 110.5 | 174.5 | -104.1 | -90.8 | 0 | 0 | 0 | 108.5 | L1054 H1172 | L1054-H1174 HydrophobicContact CD2-CB 3.95Å; H1172-H1174 VanDerWaalsContact C-N 3.26Å; H1172-H1174 PolarHBondContact O-N 3.32Å | ||
| 1175 | L | 54.3 | Low | 54.8 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 140.1 | 175.7 | -160.7 | 67.5 | 0 | 0 | 0 | 109 | T1153 I1173 | T1153-L1175 HydrophobicContact CG2-CD1 3.88Å; I1173-L1175 PolarHBondContact O-N 3Å |
| 1176 | P | 57.7 | Low | 56.2 | Low | 30 Ų | 30 | 87 Ų | 87 | 20% | 0.195 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 150.5 | 176.1 | -24.4 | 33.2 | 0 | 0 | 0 | 112.1 | W1148 I1178 | W1148-P1176 HydrophobicContact CE3-CG 4.23Å; W1148-P1176 HydrophobicContact CH2-CB 4.43Å; W1148-P1176 HydrophobicContact CZ3-CB 3.84Å; W1148-P1176 HydrophobicContact CZ3-CG 3.79Å; P1176-I1178 PolarHBondContact O-N 3.14Å |
| 1177 | S | 63.4 | Low | 57.7 | Low | 60 Ų | 60 | 81.4 Ų | 81.4 | 42% | 0.42 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -55 | 139.1 | -176.8 | 70.3 | 0 | 0 | 0 | 0 | 112 | K1179 N1180 R1181 | S1177-K1179 PolarHBondContact O-N 3.34Å; S1177-N1180 PolarHBondContact O-N 2.99Å; S1177-N1180 VanDerWaalsContact O-N 3.08Å; S1177-N1180 WeakPolarHBondContact OG-CB 3.11Å; S1177-N1180 PolarHBondContact OG-N 2.96Å; S1177-N1180 PolarHBondContact OG-ND2 3.31Å; S1177-R1181 PolarHBondContact O-N 3.3Å |
| 1178 | I | 68.1 | Low | 59.7 | Low | 83 Ų | 83 | 71.8 Ų | 71.8 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.3 | -40 | 177.9 | -71.1 | 167.1 | 0 | 0 | 0 | 110.9 | L872 L876 P1176 N1180 R1181 L1182 | L872-I1178 HydrophobicContact CD2-CG1 4.45Å; L872-I1178 HydrophobicContact CD2-CG2 4Å; L876-I1178 HydrophobicContact CD1-CG2 3.69Å; P1176-I1178 PolarHBondContact O-N 3.14Å; I1178-N1180 PolarHBondContact O-N 3.17Å; I1178-R1181 PolarHBondContact O-N 3.31Å; I1178-L1182 PolarHBondContact O-N 3.45Å |
| 1179 | K | 66.5 | Low | 61.4 | Low | 75 Ų | 75 | 68.1 Ų | 68.1 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.9 | -49.1 | 175.9 | -73.8 | -177.4 | 168.6 | -173.5 | 0 | 112.8 | L876 L890 D891 S1177 R1181 L1182 Q1183 | L876-K1179 HydrophobicContact CD2-CG 4.49Å; L890-K1179 HydrophobicContact CD1-CB 3.87Å; L890-K1179 HydrophobicContact CD1-CG 4.27Å; L890-K1179 WeakPolarHBondContact CD1-O 3.47Å; D891-K1179 IonicContact OD1-NZ 2.74Å; D891-K1179 PolarHBondContact OD1-NZ 3.21Å; S1177-K1179 PolarHBondContact O-N 3.34Å; K1179-R1181 PolarHBondContact O-N 2.91Å; K1179-L1182 PolarHBondContact O-N 3.49Å; K1179-Q1183 PolarHBondContact O-N 2.9Å |
| 1180 | N | 69.9 | Low | 63 | Low | 54 Ų | 54 | 61.3 Ų | 61.3 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | -178.8 | -72.2 | -3.7 | 0 | 0 | 0 | 111.7 | S1177 I1178 Q1183 V1184 | S1177-N1180 PolarHBondContact O-N 2.99Å; S1177-N1180 VanDerWaalsContact O-N 3.08Å; S1177-N1180 WeakPolarHBondContact OG-CB 3.11Å; S1177-N1180 PolarHBondContact OG-N 2.96Å; S1177-N1180 PolarHBondContact OG-ND2 3.31Å; I1178-N1180 PolarHBondContact O-N 3.17Å; N1180-Q1183 PolarHBondContact O-N 3.48Å; N1180-V1184 WeakPolarHBondContact O-CG2 3.36Å; N1180-V1184 PolarHBondContact O-N 2.95Å; N1180-V1184 VanDerWaalsContact O-N 3.12Å |
| 1181 | R | 74.6 | Confident | 65 | Low | 35 Ų | 35 | 51.5 Ų | 51.5 | 13% | 0.132 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.5 | -68.6 | 177.2 | 64.9 | -162.4 | -1.8 | 111.2 | C868 L872 W1148 A1149 S1177 I1178 K1179 V1184 L1185 | C868-R1181 PolarHBondContact SG-NH2 3.49Å; L872-R1181 HydrophobicContact CD1-CB 4.22Å; W1148-R1181 HydrophobicContact CH2-CG 4.36Å; W1148-R1181 HydrophobicContact CZ3-CG 3.83Å; A1149-R1181 VanDerWaalsContact O-CZ 3.32Å; A1149-R1181 PolarHBondContact O-NE 3.22Å; A1149-R1181 PolarHBondContact O-NH2 2.97Å; S1177-R1181 PolarHBondContact O-N 3.3Å; I1178-R1181 PolarHBondContact O-N 3.31Å; K1179-R1181 PolarHBondContact O-N 2.91Å; R1181-V1184 PolarHBondContact O-N 3.23Å; R1181-L1185 WeakPolarHBondContact O-CB 3.33Å; R1181-L1185 VanDerWaalsContact O-CG 3.25Å; R1181-L1185 WeakPolarHBondContact O-CG 3.25Å; R1181-L1185 PolarHBondContact O-N 2.95Å |
| 1182 | L | 72.6 | Confident | 67.1 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 177.9 | -177.7 | 71 | 0 | 0 | 0 | 111.8 | T869 I873 L876 L881 I1178 K1179 V1184 L1185 Q1186 | T869-L1182 HydrophobicContact CG2-CD1 4.16Å; I873-L1182 HydrophobicContact CG1-CD1 3.97Å; L876-L1182 HydrophobicContact CD1-CD2 3.8Å; L876-L1182 HydrophobicContact CD2-CD2 4.15Å; L876-L1182 HydrophobicContact CG-CD2 4.48Å; L881-L1182 HydrophobicContact CD2-CD2 4.09Å; I1178-L1182 PolarHBondContact O-N 3.45Å; K1179-L1182 PolarHBondContact O-N 3.49Å; L1182-V1184 VanDerWaalsContact C-N 3.33Å; L1182-V1184 PolarHBondContact O-N 2.86Å; L1182-L1185 PolarHBondContact O-N 3.35Å; L1182-Q1186 HydrophobicContact CD1-CG 4.23Å; L1182-Q1186 HydrophobicContact CG-CG 4.23Å; L1182-Q1186 WeakPolarHBondContact O-CB 3.19Å; L1182-Q1186 WeakPolarHBondContact O-CG 3.45Å; L1182-Q1186 PolarHBondContact O-N 3.49Å |
| 1183 | Q | 71.8 | Confident | 68.9 | Low | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | -179.1 | -167.7 | -177 | 17.6 | 0 | 0 | 111.9 | L890 N902 K1179 N1180 R1187 | L890-Q1183 HydrophobicContact CD1-CB 4.34Å; N902-Q1183 PolarHBondContact ND2-OE1 3.07Å; N902-Q1183 PolarHBondContact O-NE2 3.15Å; K1179-Q1183 PolarHBondContact O-N 2.9Å; N1180-Q1183 PolarHBondContact O-N 3.48Å; Q1183-R1187 WeakPolarHBondContact O-CG 3.32Å; Q1183-R1187 PolarHBondContact O-N 3.43Å; Q1183-R1187 VanDerWaalsContact O-N 3.14Å |
| 1184 | V | 74.7 | Confident | 70.5 | Confident | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.085 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | V1058 S1146 W1148 A1149 N1180 R1181 L1182 R1187 L1188 | V1058-V1184 HydrophobicContact CB-CG2 4.21Å; V1058-V1184 HydrophobicContact CG1-CG1 4.46Å; V1058-V1184 HydrophobicContact CG2-CG1 3.83Å; V1058-V1184 HydrophobicContact CG2-CG2 3.8Å; S1146-V1184 VanDerWaalsContact CB-CG1 3.45Å; W1148-V1184 HydrophobicContact CZ2-CG2 4.22Å; A1149-V1184 HydrophobicContact CB-CG1 4.1Å; N1180-V1184 WeakPolarHBondContact O-CG2 3.36Å; N1180-V1184 PolarHBondContact O-N 2.95Å; N1180-V1184 VanDerWaalsContact O-N 3.12Å; R1181-V1184 PolarHBondContact O-N 3.23Å; L1182-V1184 VanDerWaalsContact C-N 3.33Å; L1182-V1184 PolarHBondContact O-N 2.86Å; V1184-R1187 PolarHBondContact O-N 3.3Å; V1184-L1188 PolarHBondContact O-N 3.17Å |
| 1185 | L | 75.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 179.7 | -73.8 | 168.6 | 0 | 0 | 0 | 112.2 | I865 T869 L872 A1149 W1150 R1181 L1182 L1188 R1189 | I865-L1185 HydrophobicContact CG2-CD2 4.05Å; T869-L1185 HydrophobicContact CG2-CB 4.34Å; L872-L1185 HydrophobicContact CD1-CD1 3.51Å; A1149-L1185 HydrophobicContact CB-CD2 4.38Å; A1149-L1185 HydrophobicContact CB-CG 4.27Å; W1150-L1185 HydrophobicContact CB-CD2 4.45Å; W1150-L1185 HydrophobicContact CE3-CD2 3.61Å; W1150-L1185 HydrophobicContact CZ3-CD2 4.24Å; R1181-L1185 WeakPolarHBondContact O-CB 3.33Å; R1181-L1185 VanDerWaalsContact O-CG 3.25Å; R1181-L1185 WeakPolarHBondContact O-CG 3.25Å; R1181-L1185 PolarHBondContact O-N 2.95Å; L1182-L1185 PolarHBondContact O-N 3.35Å; L1185-L1188 PolarHBondContact O-N 3.21Å; L1185-R1189 WeakPolarHBondContact O-CG 3.47Å; L1185-R1189 PolarHBondContact O-N 2.86Å |
| 1186 | Q | 73.3 | Confident | 73.7 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.3 | -75.3 | -68.8 | -10.2 | 0 | 0 | 111.9 | L1182 L1188 R1189 R1190 | L1182-Q1186 HydrophobicContact CD1-CG 4.23Å; L1182-Q1186 HydrophobicContact CG-CG 4.23Å; L1182-Q1186 WeakPolarHBondContact O-CB 3.19Å; L1182-Q1186 WeakPolarHBondContact O-CG 3.45Å; L1182-Q1186 PolarHBondContact O-N 3.49Å; Q1186-L1188 PolarHBondContact O-N 3.2Å; Q1186-R1189 PolarHBondContact O-N 3.3Å; Q1186-R1190 PolarHBondContact O-N 2.94Å |
| 1187 | R | 74.4 | Confident | 74.7 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.2 | -74.4 | 175.8 | 177.2 | 162.9 | 0.8 | 112.3 | D887 N902 Y1060 Q1183 V1184 R1190 L1191 | D887-R1187 VanDerWaalsContact OD1-CG 3.31Å; D887-R1187 WeakPolarHBondContact OD1-CG 3.47Å; D887-R1187 IonicContact OD1-CZ 2.84Å; D887-R1187 IonicContact OD1-NE 2.81Å; D887-R1187 PolarHBondContact OD1-NE 2.93Å; D887-R1187 IonicContact OD1-NH2 3.88Å; N902-R1187 PolarHBondContact O-NH2 3.49Å; Y1060-R1187 HydrophobicContact CE1-CB 4.19Å; Y1060-R1187 WeakPolarHBondContact OH-CB 3.39Å; Y1060-R1187 WeakPolarHBondContact OH-CD 3.35Å; Q1183-R1187 WeakPolarHBondContact O-CG 3.32Å; Q1183-R1187 PolarHBondContact O-N 3.43Å; Q1183-R1187 VanDerWaalsContact O-N 3.14Å; V1184-R1187 PolarHBondContact O-N 3.3Å; R1187-R1190 PolarHBondContact O-N 3.34Å; R1187-L1191 PolarHBondContact O-N 3.45Å; R1187-L1191 VanDerWaalsContact O-N 3.07Å |
| 1188 | L | 77.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.4 | 178.7 | 66.2 | 0 | 0 | 0 | 111.6 | I865 A1142 I1143 W1150 V1184 L1185 Q1186 R1190 L1191 K1192 | I865-L1188 HydrophobicContact CD1-CD2 4.15Å; A1142-L1188 HydrophobicContact CB-CD1 3.8Å; I1143-L1188 HydrophobicContact CG1-CD1 3.94Å; W1150-L1188 HydrophobicContact CE3-CD2 4.46Å; W1150-L1188 HydrophobicContact CH2-CD2 3.66Å; W1150-L1188 HydrophobicContact CZ3-CD2 3.45Å; W1150-L1188 VanDerWaalsContact CZ3-CD2 3.45Å; V1184-L1188 PolarHBondContact O-N 3.17Å; L1185-L1188 PolarHBondContact O-N 3.21Å; Q1186-L1188 PolarHBondContact O-N 3.2Å; L1188-R1190 PolarHBondContact O-N 2.98Å; L1188-L1191 PolarHBondContact O-N 3.31Å; L1188-K1192 HydrophobicContact CD1-CD 4.4Å; L1188-K1192 HydrophobicContact CD1-CG 4.41Å; L1188-K1192 HydrophobicContact CG-CD 4.19Å; L1188-K1192 WeakPolarHBondContact O-CB 3.33Å; L1188-K1192 PolarHBondContact O-N 2.88Å |
| 1189 | R | 75 | Confident | 76.5 | Confident | 17 Ų | 17 | 22.9 Ų | 22.9 | 6% | 0.064 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 177.3 | -80 | 176.4 | 162.5 | -169.8 | -5.5 | 112.3 | C856 E866 T869 L1185 Q1186 K1192 H1193 | C856-R1189 HydrophobicContact CB-CB 3.96Å; E866-R1189 IonicContact OE1-CZ 2.84Å; E866-R1189 VanDerWaalsContact OE1-CZ 3.24Å; E866-R1189 IonicContact OE1-NE 3.24Å; E866-R1189 PolarHBondContact OE1-NE 3.3Å; E866-R1189 IonicContact OE1-NH2 3.95Å; E866-R1189 PolarHBondContact OE1-NH2 3.39Å; E866-R1189 IonicContact OE2-CZ 2.78Å; E866-R1189 IonicContact OE2-NE 2.7Å; E866-R1189 IonicContact OE2-NH2 3.56Å; E866-R1189 PolarHBondContact OE2-NH2 2.7Å; T869-R1189 VanDerWaalsContact CB-CZ 3.4Å; T869-R1189 VanDerWaalsContact CB-NH2 3.26Å; L1185-R1189 WeakPolarHBondContact O-CG 3.47Å; L1185-R1189 PolarHBondContact O-N 2.86Å; Q1186-R1189 PolarHBondContact O-N 3.3Å; R1189-K1192 PolarHBondContact O-N 3.18Å; R1189-H1193 WeakPolarHBondContact O-CB 3.31Å; R1189-H1193 PolarHBondContact O-N 3.44Å |
| 1190 | R | 72.7 | Confident | 77.5 | Confident | 39 Ų | 39 | 24.5 Ų | 24.5 | 15% | 0.147 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.3 | -69.4 | -166 | -160.5 | 114.3 | 40.7 | 112.2 | S884 A885 D887 Q1186 R1187 L1188 K1192 H1193 W1194 | S884-R1190 PolarHBondContact O-NH2 2.88Å; A885-R1190 VanDerWaalsContact C-CZ 3.4Å; A885-R1190 PolarHBondContact O-NE 2.91Å; A885-R1190 PolarHBondContact O-NH1 2.85Å; A885-R1190 PolarHBondContact O-NH2 3.23Å; D887-R1190 IonicContact OD1-NH1 3.63Å; D887-R1190 PolarHBondContact OD1-NH1 2.97Å; D887-R1190 VanDerWaalsContact OD1-NH1 3.13Å; D887-R1190 IonicContact OD2-NH1 3.68Å; D887-R1190 PolarHBondContact OD2-NH1 3.28Å; Q1186-R1190 PolarHBondContact O-N 2.94Å; R1187-R1190 PolarHBondContact O-N 3.34Å; L1188-R1190 PolarHBondContact O-N 2.98Å; R1190-K1192 VanDerWaalsContact C-N 3.32Å; R1190-K1192 PolarHBondContact O-N 3.03Å; R1190-H1193 PolarHBondContact O-N 3.45Å; R1190-W1194 WeakPolarHBondContact O-CB 3.16Å; R1190-W1194 PolarHBondContact O-N 3.38Å |
| 1191 | L | 75.4 | Confident | 78.3 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.068 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 179.5 | 179.8 | 60.4 | 0 | 0 | 0 | 111.7 | M808 V1139 A1142 R1187 L1188 W1194 Y1195 | M808-L1191 HydrophobicContact CE-CB 4.42Å; M808-L1191 HydrophobicContact CE-CD1 3.23Å; M808-L1191 HydrophobicContact CE-CG 4.38Å; M808-L1191 HydrophobicContact SD-CB 4.48Å; M808-L1191 HydrophobicContact SD-CD1 4.1Å; V1139-L1191 HydrophobicContact CG2-CD1 4.46Å; V1139-L1191 HydrophobicContact CG2-CG 4.07Å; A1142-L1191 HydrophobicContact CB-CD2 3.42Å; A1142-L1191 VanDerWaalsContact CB-CD2 3.42Å; R1187-L1191 PolarHBondContact O-N 3.45Å; R1187-L1191 VanDerWaalsContact O-N 3.07Å; L1188-L1191 PolarHBondContact O-N 3.31Å; L1191-W1194 HydrophobicContact CD1-CE3 3.96Å; L1191-W1194 HydrophobicContact CD1-CZ3 4.14Å; L1191-Y1195 WeakPolarHBondContact O-CB 3.23Å; L1191-Y1195 PolarHBondContact O-N 3.21Å |
| 1192 | K | 80.4 | Confident | 79 | Confident | 13 Ų | 13 | 25.6 Ų | 25.6 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 174.3 | -80.7 | 179.3 | 158.5 | -169.4 | 0 | 112.3 | H861 D862 V1139 L1188 R1189 R1190 Y1195 A1196 | H861-K1192 VanDerWaalsContact CD2-CD 3.47Å; H861-K1192 WeakPolarHBondContact CD2-CD 3.19Å; D862-K1192 IonicContact OD2-NZ 3.64Å; V1139-K1192 HydrophobicContact CG1-CG 3.96Å; L1188-K1192 HydrophobicContact CD1-CD 4.4Å; L1188-K1192 HydrophobicContact CD1-CG 4.41Å; L1188-K1192 HydrophobicContact CG-CD 4.19Å; L1188-K1192 WeakPolarHBondContact O-CB 3.33Å; L1188-K1192 PolarHBondContact O-N 2.88Å; R1189-K1192 PolarHBondContact O-N 3.18Å; R1190-K1192 VanDerWaalsContact C-N 3.32Å; R1190-K1192 PolarHBondContact O-N 3.03Å; K1192-Y1195 PolarHBondContact O-N 2.99Å; K1192-A1196 PolarHBondContact O-N 3.14Å |
| 1193 | H | 77.3 | Confident | 79.8 | Confident | 47 Ų | 47 | 25.6 Ų | 25.6 | 22% | 0.218 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 178.4 | 179.2 | 77.3 | 0 | 0 | 0 | 112.4 | F813 C856 R1189 R1190 Y1195 A1196 S1197 | F813-H1193 AromaticContact CZ-CD2 3.67Å; C856-H1193 HydrophobicContact CB-CB 4.36Å; R1189-H1193 WeakPolarHBondContact O-CB 3.31Å; R1189-H1193 PolarHBondContact O-N 3.44Å; R1190-H1193 PolarHBondContact O-N 3.45Å; H1193-Y1195 VanDerWaalsContact C-N 3.34Å; H1193-Y1195 PolarHBondContact O-N 3.38Å; H1193-A1196 PolarHBondContact O-N 3.08Å; H1193-S1197 WeakPolarHBondContact O-CB 3.42Å; H1193-S1197 PolarHBondContact O-N 3.32Å; H1193-S1197 PolarHBondContact O-OG 2.93Å |
| 1194 | W | 79.8 | Confident | 80.6 | Confident | 24 Ų | 24 | 26.4 Ų | 26.4 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 173.4 | 166.4 | 84.7 | 0 | 0 | 0 | 111.4 | M808 A1135 R1190 L1191 S1197 L1198 | M808-W1194 HydrophobicContact CB-CG 4.2Å; M808-W1194 HydrophobicContact CE-CB 3.59Å; M808-W1194 HydrophobicContact CE-CD2 3.11Å; M808-W1194 HydrophobicContact CE-CE3 3.19Å; M808-W1194 HydrophobicContact CE-CG 3.3Å; M808-W1194 HydrophobicContact CE-CH2 4.44Å; M808-W1194 HydrophobicContact CE-CZ2 4.4Å; M808-W1194 HydrophobicContact CE-CZ3 3.88Å; M808-W1194 HydrophobicContact SD-CB 4.41Å; M808-W1194 HydrophobicContact SD-CG 4.48Å; A1135-W1194 HydrophobicContact CB-CH2 3.71Å; A1135-W1194 HydrophobicContact CB-CZ3 3.69Å; R1190-W1194 WeakPolarHBondContact O-CB 3.16Å; R1190-W1194 PolarHBondContact O-N 3.38Å; L1191-W1194 HydrophobicContact CD1-CE3 3.96Å; L1191-W1194 HydrophobicContact CD1-CZ3 4.14Å; W1194-S1197 PolarHBondContact O-N 3.03Å; W1194-L1198 HydrophobicContact CH2-CD2 4.03Å; W1194-L1198 HydrophobicContact CZ2-CD2 3.79Å; W1194-L1198 VanDerWaalsContact O-CB 3.23Å; W1194-L1198 WeakPolarHBondContact O-CB 3.38Å; W1194-L1198 PolarHBondContact O-N 2.95Å |
| 1195 | Y | 84.2 | Confident | 81.2 | Confident | 19 Ų | 19 | 26 Ų | 26 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 177.6 | 171.3 | -107 | 0 | 0 | 0 | 112.1 | A1135 K1136 V1139 L1191 K1192 H1193 L1198 R1199 F1223 | A1135-Y1195 HydrophobicContact CB-CD2 3.68Å; A1135-Y1195 HydrophobicContact CB-CE2 4.12Å; K1136-Y1195 HydrophobicContact CB-CE2 4.04Å; V1139-Y1195 HydrophobicContact CG2-CD1 4.26Å; V1139-Y1195 HydrophobicContact CG2-CD2 4.43Å; V1139-Y1195 HydrophobicContact CG2-CG 3.84Å; L1191-Y1195 WeakPolarHBondContact O-CB 3.23Å; L1191-Y1195 PolarHBondContact O-N 3.21Å; K1192-Y1195 PolarHBondContact O-N 2.99Å; H1193-Y1195 VanDerWaalsContact C-N 3.34Å; H1193-Y1195 PolarHBondContact O-N 3.38Å; Y1195-L1198 PolarHBondContact O-N 3.16Å; Y1195-R1199 WeakPolarHBondContact O-CB 3.42Å; Y1195-R1199 PolarHBondContact O-N 3.16Å; Y1195-F1223 PolarHBondContact OH-O 2.97Å |
| 1196 | A | 81.5 | Confident | 81.8 | Confident | 12 Ų | 12 | 26 Ų | 26 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1192 H1193 L1198 R1199 E1200 | K1192-A1196 PolarHBondContact O-N 3.14Å; H1193-A1196 PolarHBondContact O-N 3.08Å; A1196-L1198 PolarHBondContact O-N 3.45Å; A1196-R1199 PolarHBondContact O-N 2.91Å; A1196-E1200 WeakPolarHBondContact O-CB 3.14Å; A1196-E1200 PolarHBondContact O-N 2.84Å |
| 1197 | S | 79.2 | Confident | 82.5 | Confident | 48 Ų | 48 | 26 Ų | 26 | 34% | 0.336 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 112 | H1193 W1194 Y1201 | H1193-S1197 WeakPolarHBondContact O-CB 3.42Å; H1193-S1197 PolarHBondContact O-N 3.32Å; H1193-S1197 PolarHBondContact O-OG 2.93Å; W1194-S1197 PolarHBondContact O-N 3.03Å; S1197-Y1201 VanDerWaalsContact O-CB 3.26Å; S1197-Y1201 WeakPolarHBondContact O-CB 3.11Å; S1197-Y1201 PolarHBondContact O-N 2.86Å |
| 1198 | L | 82.1 | Confident | 83 | Confident | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.099 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.4 | -177.9 | 67.1 | 0 | 0 | 0 | 111.2 | L1078 I1131 L1132 A1135 W1194 Y1195 A1196 Y1201 L1202 | L1078-L1198 HydrophobicContact CD2-CD1 4.41Å; I1131-L1198 HydrophobicContact CG2-CD2 4.2Å; L1132-L1198 HydrophobicContact CD2-CG 4.48Å; A1135-L1198 HydrophobicContact CB-CD2 4.16Å; W1194-L1198 HydrophobicContact CH2-CD2 4.03Å; W1194-L1198 HydrophobicContact CZ2-CD2 3.79Å; W1194-L1198 VanDerWaalsContact O-CB 3.23Å; W1194-L1198 WeakPolarHBondContact O-CB 3.38Å; W1194-L1198 PolarHBondContact O-N 2.95Å; Y1195-L1198 PolarHBondContact O-N 3.16Å; A1196-L1198 PolarHBondContact O-N 3.45Å; L1198-Y1201 PolarHBondContact O-N 3.04Å; L1198-L1202 HydrophobicContact CD1-CD1 3.82Å; L1198-L1202 HydrophobicContact CD1-CG 3.96Å; L1198-L1202 HydrophobicContact CG-CD1 3.89Å; L1198-L1202 HydrophobicContact CG-CG 4.27Å; L1198-L1202 WeakPolarHBondContact O-CB 3.13Å; L1198-L1202 VanDerWaalsContact O-CG 3.24Å; L1198-L1202 WeakPolarHBondContact O-CG 3.34Å; L1198-L1202 PolarHBondContact O-N 2.86Å |
| 1199 | R | 88.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 178.6 | -173.8 | -177.6 | 66.5 | -165.5 | -5.6 | 111.4 | E860 L1132 Y1195 A1196 Y1201 L1202 I1203 F1223 I1224 D1225 | E860-R1199 IonicContact OE1-NH2 3.13Å; E860-R1199 PolarHBondContact OE1-NH2 3.06Å; E860-R1199 IonicContact OE2-CZ 3.91Å; E860-R1199 IonicContact OE2-NH1 3.38Å; E860-R1199 IonicContact OE2-NH2 2.92Å; E860-R1199 PolarHBondContact OE2-NH2 3.48Å; L1132-R1199 HydrophobicContact CD2-CB 4.03Å; L1132-R1199 HydrophobicContact CD2-CG 4.3Å; Y1195-R1199 WeakPolarHBondContact O-CB 3.42Å; Y1195-R1199 PolarHBondContact O-N 3.16Å; A1196-R1199 PolarHBondContact O-N 2.91Å; R1199-Y1201 PolarHBondContact O-N 3.16Å; R1199-L1202 PolarHBondContact O-N 3.18Å; R1199-I1203 HydrophobicContact CG-CD1 3.58Å; R1199-I1203 HydrophobicContact CG-CG1 4.38Å; R1199-I1203 WeakPolarHBondContact O-CB 3.46Å; R1199-I1203 VanDerWaalsContact O-CG1 3.23Å; R1199-I1203 WeakPolarHBondContact O-CG1 3.29Å; R1199-I1203 PolarHBondContact O-N 3Å; R1199-F1223 WeakPolarHBondContact CD-O 3.43Å; R1199-F1223 HydrophobicContact CG-CB 4.18Å; R1199-F1223 PolarHBondContact NH1-O 3.45Å; R1199-I1224 PolarHBondContact NH1-O 3.31Å; R1199-D1225 HydrophobicContact CG-CB 4.38Å; R1199-D1225 IonicContact CZ-OD2 3Å; R1199-D1225 IonicContact NE-OD2 3.4Å; R1199-D1225 PolarHBondContact NE-OD2 3.48Å; R1199-D1225 IonicContact NH2-OD2 3.57Å; R1199-D1225 PolarHBondContact NH2-OD2 3.36Å |
| 1200 | E | 86.5 | Confident | 83.9 | Confident | 108 Ų | 108 | 31 Ų | 31 | 51% | 0.505 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 175.6 | -170.3 | -171.6 | 166.6 | 0 | 0 | 111.1 | A1196 S1204 | A1196-E1200 WeakPolarHBondContact O-CB 3.14Å; A1196-E1200 PolarHBondContact O-N 2.84Å; E1200-S1204 VanDerWaalsContact O-CB 3.26Å; E1200-S1204 WeakPolarHBondContact O-CB 3.27Å; E1200-S1204 PolarHBondContact O-N 2.93Å; E1200-S1204 PolarHBondContact O-OG 3.46Å |
| 1201 | Y | 87 | Confident | 84.4 | Confident | 113 Ų | 113 | 35.2 Ų | 35.2 | 44% | 0.443 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 179.3 | 174.9 | -111.1 | 0 | 0 | 0 | 112.2 | S1197 L1198 R1199 S1204 I1205 | S1197-Y1201 VanDerWaalsContact O-CB 3.26Å; S1197-Y1201 WeakPolarHBondContact O-CB 3.11Å; S1197-Y1201 PolarHBondContact O-N 2.86Å; L1198-Y1201 PolarHBondContact O-N 3.04Å; R1199-Y1201 PolarHBondContact O-N 3.16Å; Y1201-S1204 PolarHBondContact O-N 3.27Å; Y1201-S1204 PolarHBondContact O-OG 3.21Å; Y1201-I1205 HydrophobicContact CD1-CD1 4.03Å; Y1201-I1205 HydrophobicContact CD2-CD1 4.31Å; Y1201-I1205 HydrophobicContact CE1-CD1 3.56Å; Y1201-I1205 HydrophobicContact CE2-CD1 3.88Å; Y1201-I1205 HydrophobicContact CE2-CG1 4.46Å; Y1201-I1205 HydrophobicContact CG-CD1 4.39Å; Y1201-I1205 VanDerWaalsContact CZ-CD1 3.48Å; Y1201-I1205 WeakPolarHBondContact O-CG1 3.3Å; Y1201-I1205 PolarHBondContact O-N 2.7Å |
| 1202 | L | 89.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.2 | -38.1 | -176.3 | -66.5 | -176.3 | 0 | 0 | 0 | 112.9 | L1078 L1081 I1128 I1131 L1132 L1198 R1199 I1205 | L1078-L1202 HydrophobicContact CD2-CD2 3.95Å; L1081-L1202 HydrophobicContact CD2-CD2 3.52Å; I1128-L1202 HydrophobicContact CG1-CB 4.39Å; I1128-L1202 HydrophobicContact CG1-CD2 4.34Å; I1128-L1202 HydrophobicContact CG2-CB 3.87Å; I1128-L1202 HydrophobicContact CG2-CD1 4.44Å; I1131-L1202 HydrophobicContact CB-CD1 4.39Å; I1131-L1202 HydrophobicContact CG2-CD1 3.87Å; L1132-L1202 HydrophobicContact CD1-CB 4.48Å; L1132-L1202 HydrophobicContact CD2-CB 4.49Å; L1132-L1202 HydrophobicContact CD2-CD1 3.88Å; L1132-L1202 HydrophobicContact CG-CD1 4.01Å; L1198-L1202 HydrophobicContact CD1-CD1 3.82Å; L1198-L1202 HydrophobicContact CD1-CG 3.96Å; L1198-L1202 HydrophobicContact CG-CD1 3.89Å; L1198-L1202 HydrophobicContact CG-CG 4.27Å; L1198-L1202 WeakPolarHBondContact O-CB 3.13Å; L1198-L1202 VanDerWaalsContact O-CG 3.24Å; L1198-L1202 WeakPolarHBondContact O-CG 3.34Å; L1198-L1202 PolarHBondContact O-N 2.86Å; R1199-L1202 PolarHBondContact O-N 3.18Å; L1202-I1205 HydrophobicContact CD2-CD1 4.32Å; L1202-I1205 PolarHBondContact O-N 2.88Å |
| 1203 | I | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 177.2 | -65.9 | 174.2 | 0 | 0 | 0 | 110.6 | L1132 R1199 I1205 V1206 G1207 A1216 L1219 A1220 D1225 Q1228 | L1132-I1203 HydrophobicContact CD1-CG1 4.27Å; R1199-I1203 HydrophobicContact CG-CD1 3.58Å; R1199-I1203 HydrophobicContact CG-CG1 4.38Å; R1199-I1203 WeakPolarHBondContact O-CB 3.46Å; R1199-I1203 VanDerWaalsContact O-CG1 3.23Å; R1199-I1203 WeakPolarHBondContact O-CG1 3.29Å; R1199-I1203 PolarHBondContact O-N 3Å; I1203-I1205 VanDerWaalsContact C-N 3.28Å; I1203-I1205 PolarHBondContact O-N 3.27Å; I1203-V1206 PolarHBondContact O-N 3.36Å; I1203-V1206 VanDerWaalsContact O-N 3.12Å; I1203-G1207 PolarHBondContact O-N 3.5Å; I1203-A1216 HydrophobicContact CG2-CB 4.26Å; I1203-L1219 HydrophobicContact CG1-CB 4.21Å; I1203-A1220 HydrophobicContact CD1-CB 4.21Å; I1203-A1220 HydrophobicContact CG2-CB 4.35Å; I1203-D1225 HydrophobicContact CD1-CB 4.13Å; I1203-Q1228 HydrophobicContact CB-CG 4.29Å; I1203-Q1228 HydrophobicContact CG2-CB 3.92Å; I1203-Q1228 HydrophobicContact CG2-CG 3.98Å |
| 1204 | S | 88.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.154 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | 176.8 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | E1200 Y1201 V1206 G1207 D1208 | E1200-S1204 VanDerWaalsContact O-CB 3.26Å; E1200-S1204 WeakPolarHBondContact O-CB 3.27Å; E1200-S1204 PolarHBondContact O-N 2.93Å; E1200-S1204 PolarHBondContact O-OG 3.46Å; Y1201-S1204 PolarHBondContact O-N 3.27Å; Y1201-S1204 PolarHBondContact O-OG 3.21Å; S1204-V1206 VanDerWaalsContact C-N 3.3Å; S1204-V1206 PolarHBondContact O-N 3.37Å; S1204-G1207 PolarHBondContact O-N 3.39Å; S1204-D1208 VanDerWaalsContact O-CB 3.24Å; S1204-D1208 WeakPolarHBondContact O-CB 3.3Å; S1204-D1208 PolarHBondContact O-N 3.3Å |
| 1205 | I | 87.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -56.7 | -43.2 | 174.8 | -74.6 | 166.5 | 0 | 0 | 0 | 111.8 | V1085 I1128 Y1201 L1202 I1203 Q1209 L1210 | V1085-I1205 HydrophobicContact CB-CG2 4.37Å; V1085-I1205 HydrophobicContact CG1-CG2 3.94Å; V1085-I1205 HydrophobicContact CG2-CG2 3.47Å; V1085-I1205 VanDerWaalsContact CG2-CG2 3.47Å; I1128-I1205 HydrophobicContact CD1-CG2 4.44Å; Y1201-I1205 HydrophobicContact CD1-CD1 4.03Å; Y1201-I1205 HydrophobicContact CD2-CD1 4.31Å; Y1201-I1205 HydrophobicContact CE1-CD1 3.56Å; Y1201-I1205 HydrophobicContact CE2-CD1 3.88Å; Y1201-I1205 HydrophobicContact CE2-CG1 4.46Å; Y1201-I1205 HydrophobicContact CG-CD1 4.39Å; Y1201-I1205 VanDerWaalsContact CZ-CD1 3.48Å; Y1201-I1205 WeakPolarHBondContact O-CG1 3.3Å; Y1201-I1205 PolarHBondContact O-N 2.7Å; L1202-I1205 HydrophobicContact CD2-CD1 4.32Å; L1202-I1205 PolarHBondContact O-N 2.88Å; I1203-I1205 VanDerWaalsContact C-N 3.28Å; I1203-I1205 PolarHBondContact O-N 3.27Å; I1205-Q1209 WeakPolarHBondContact O-CA 3.47Å; I1205-Q1209 WeakPolarHBondContact O-CB 3.33Å; I1205-Q1209 PolarHBondContact O-N 3.47Å; I1205-L1210 PolarHBondContact O-N 2.95Å |
| 1206 | V | 88.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -66.4 | -43.9 | -177.2 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | I1125 I1128 I1203 S1204 L1210 R1212 A1216 L1219 | I1125-V1206 HydrophobicContact CD1-CG1 4.21Å; I1125-V1206 HydrophobicContact CG1-CG1 3.97Å; I1125-V1206 HydrophobicContact CG1-CG2 4.3Å; I1128-V1206 HydrophobicContact CD1-CG2 3.45Å; I1128-V1206 VanDerWaalsContact CD1-CG2 3.45Å; I1203-V1206 PolarHBondContact O-N 3.36Å; I1203-V1206 VanDerWaalsContact O-N 3.12Å; S1204-V1206 VanDerWaalsContact C-N 3.3Å; S1204-V1206 PolarHBondContact O-N 3.37Å; V1206-L1210 HydrophobicContact CG2-CD1 4.43Å; V1206-L1210 WeakPolarHBondContact O-CB 3.44Å; V1206-R1212 HydrophobicContact CG1-CB 4.26Å; V1206-R1212 PolarHBondContact O-N 3.1Å; V1206-R1212 VanDerWaalsContact O-N 3.16Å; V1206-A1216 HydrophobicContact CB-CB 4.2Å; V1206-A1216 HydrophobicContact CG1-CB 4.11Å; V1206-L1219 HydrophobicContact CB-CD1 4.42Å; V1206-L1219 HydrophobicContact CG1-CD1 4.39Å; V1206-L1219 HydrophobicContact CG2-CD1 3.83Å |
| 1207 | G | 86.3 | Confident | 86.5 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -80 | -46.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1203 S1204 H1211 | I1203-G1207 PolarHBondContact O-N 3.5Å; S1204-G1207 PolarHBondContact O-N 3.39Å; G1207-H1211 WeakPolarHBondContact O-CA 3.45Å |
| 1208 | D | 86.2 | Confident | 86.9 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -79.5 | -48.5 | -173.4 | -66.2 | -33.1 | 0 | 0 | 0 | 112.5 | S1204 H1211 R1231 W1232 | S1204-D1208 VanDerWaalsContact O-CB 3.24Å; S1204-D1208 WeakPolarHBondContact O-CB 3.3Å; S1204-D1208 PolarHBondContact O-N 3.3Å; D1208-H1211 PolarHBondContact O-CE1 3.42Å; D1208-H1211 PolarHBondContact O-ND1 3.26Å; D1208-R1231 IonicContact OD1-CZ 3.38Å; D1208-R1231 IonicContact OD1-NH2 3.65Å; D1208-R1231 PolarHBondContact OD1-NH2 3.11Å; D1208-R1231 IonicContact OD2-CZ 3.46Å; D1208-R1231 IonicContact OD2-NH1 2.68Å; D1208-R1231 IonicContact OD2-NH2 2.9Å; D1208-R1231 PolarHBondContact OD2-NH2 2.91Å; D1208-W1232 WeakPolarHBondContact OD1-CH2 3.36Å |
| 1209 | Q | 85.2 | Confident | 87.2 | Confident | 75 Ų | 75 | 43.7 Ų | 43.7 | 35% | 0.35 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -92.2 | -38.8 | -171.9 | -58.5 | -171.3 | 35.7 | 0 | 0 | 113 | V1085 S1089 I1205 H1211 | V1085-Q1209 HydrophobicContact CG1-CB 3.79Å; V1085-Q1209 VanDerWaalsContact CG1-OE1 3.24Å; S1089-Q1209 WeakPolarHBondContact CB-O 3.45Å; I1205-Q1209 WeakPolarHBondContact O-CA 3.47Å; I1205-Q1209 WeakPolarHBondContact O-CB 3.33Å; I1205-Q1209 PolarHBondContact O-N 3.47Å; Q1209-H1211 VanDerWaalsContact C-N 3.34Å |
| 1210 | L | 85.2 | Confident | 87.2 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -86.3 | -5.9 | 178.1 | -59.3 | 178.6 | 0 | 0 | 0 | 113 | V1085 V1121 A1124 I1125 I1205 V1206 R1212 | V1085-L1210 HydrophobicContact CB-CD2 4.2Å; V1085-L1210 HydrophobicContact CG1-CD2 4.08Å; V1085-L1210 HydrophobicContact CG2-CD1 4.5Å; V1085-L1210 HydrophobicContact CG2-CD2 4.09Å; V1085-L1210 HydrophobicContact CG2-CG 4.42Å; V1121-L1210 HydrophobicContact CG1-CB 4.38Å; V1121-L1210 HydrophobicContact CG1-CD1 4.38Å; V1121-L1210 HydrophobicContact CG2-CD2 4.26Å; A1124-L1210 HydrophobicContact CB-CD1 3.87Å; I1125-L1210 HydrophobicContact CG1-CD1 4.37Å; I1205-L1210 PolarHBondContact O-N 2.95Å; V1206-L1210 HydrophobicContact CG2-CD1 4.43Å; V1206-L1210 WeakPolarHBondContact O-CB 3.44Å; L1210-R1212 VanDerWaalsContact C-N 3.26Å; L1210-R1212 PolarHBondContact O-N 3.3Å |
| 1211 | H | 84.4 | Confident | 87.1 | Confident | 126 Ų | 126 | 39.4 Ų | 39.4 | 58% | 0.583 | 19% | 0.191 | S | C | * | . | trans | 54.1 | 37.9 | -177.7 | -56 | -58.8 | 0 | 0 | 0 | 113.7 | G1207 D1208 Q1209 P1213 | G1207-H1211 WeakPolarHBondContact O-CA 3.45Å; D1208-H1211 PolarHBondContact O-CE1 3.42Å; D1208-H1211 PolarHBondContact O-ND1 3.26Å; Q1209-H1211 VanDerWaalsContact C-N 3.34Å; H1211-P1213 VanDerWaalsContact C-CD 3.44Å; H1211-P1213 WeakPolarHBondContact O-CD 2.9Å | ||
| 1212 | R | 85.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 38.4 Ų | 38.4 | 38% | 0.377 | 19% | 0.191 | S | C | . | . | trans | -118.5 | 70.9 | 176 | -65 | -61.2 | -168 | -149.2 | 1.3 | 111.2 | N1118 V1121 V1206 L1210 E1214 S1215 A1216 | N1118-R1212 PolarHBondContact OD1-NH2 2.92Å; V1121-R1212 HydrophobicContact CG1-CG 3.76Å; V1206-R1212 HydrophobicContact CG1-CB 4.26Å; V1206-R1212 PolarHBondContact O-N 3.1Å; V1206-R1212 VanDerWaalsContact O-N 3.16Å; L1210-R1212 VanDerWaalsContact C-N 3.26Å; L1210-R1212 PolarHBondContact O-N 3.3Å; R1212-E1214 VanDerWaalsContact C-N 3.32Å; R1212-E1214 PolarHBondContact O-N 3.49Å; R1212-S1215 PolarHBondContact O-N 3.45Å; R1212-A1216 PolarHBondContact O-N 2.91Å; R1212-A1216 VanDerWaalsContact O-N 3.09Å | ||
| 1213 | P | 85.5 | Confident | 86.9 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 14% | 0.143 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -31.2 | -175.2 | 25.9 | -35.3 | 0 | 0 | 0 | 113.7 | H1211 A1216 L1217 W1232 L1236 | H1211-P1213 VanDerWaalsContact C-CD 3.44Å; H1211-P1213 WeakPolarHBondContact O-CD 2.9Å; P1213-A1216 WeakPolarHBondContact O-CB 3.33Å; P1213-A1216 PolarHBondContact O-N 3.18Å; P1213-L1217 PolarHBondContact O-N 3.38Å; P1213-W1232 HydrophobicContact CB-CE3 3.6Å; P1213-W1232 HydrophobicContact CB-CZ3 3.84Å; P1213-L1236 HydrophobicContact CB-CD1 4.39Å; P1213-L1236 HydrophobicContact CB-CD2 3.67Å; P1213-L1236 HydrophobicContact CB-CG 4Å; P1213-L1236 HydrophobicContact CG-CD2 3.56Å; P1213-L1236 HydrophobicContact CG-CG 4.43Å |
| 1214 | E | 86.2 | Confident | 86.6 | Confident | 110 Ų | 110 | 41.1 Ų | 41.1 | 51% | 0.514 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.3 | -57.8 | -167.4 | 146 | 0 | 0 | 111.7 | R1212 A1216 L1217 D1218 L1236 R1275 | R1212-E1214 VanDerWaalsContact C-N 3.32Å; R1212-E1214 PolarHBondContact O-N 3.49Å; E1214-A1216 VanDerWaalsContact C-N 3.3Å; E1214-A1216 PolarHBondContact O-N 3.39Å; E1214-L1217 WeakPolarHBondContact O-CB 3.43Å; E1214-L1217 PolarHBondContact O-N 2.83Å; E1214-D1218 PolarHBondContact O-N 2.87Å; E1214-L1236 HydrophobicContact CG-CD1 4.45Å; E1214-L1236 HydrophobicContact CG-CD2 4.06Å; E1214-R1275 IonicContact OE1-CZ 3.97Å; E1214-R1275 IonicContact OE1-NH1 3.4Å; E1214-R1275 PolarHBondContact OE1-NH1 3Å; E1214-R1275 IonicContact OE1-NH2 2.73Å; E1214-R1275 PolarHBondContact OE1-NH2 3.48Å |
| 1215 | S | 87.5 | Confident | 86.3 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.9 | -32.4 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | R1212 D1218 L1219 | R1212-S1215 PolarHBondContact O-N 3.45Å; S1215-D1218 PolarHBondContact O-N 2.93Å; S1215-L1219 VanDerWaalsContact O-CG 3.32Å; S1215-L1219 WeakPolarHBondContact O-CG 3.36Å; S1215-L1219 PolarHBondContact O-N 2.82Å |
| 1216 | A | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1203 V1206 R1212 P1213 E1214 L1219 A1220 W1232 | I1203-A1216 HydrophobicContact CG2-CB 4.26Å; V1206-A1216 HydrophobicContact CB-CB 4.2Å; V1206-A1216 HydrophobicContact CG1-CB 4.11Å; R1212-A1216 PolarHBondContact O-N 2.91Å; R1212-A1216 VanDerWaalsContact O-N 3.09Å; P1213-A1216 WeakPolarHBondContact O-CB 3.33Å; P1213-A1216 PolarHBondContact O-N 3.18Å; E1214-A1216 VanDerWaalsContact C-N 3.3Å; E1214-A1216 PolarHBondContact O-N 3.39Å; A1216-L1219 PolarHBondContact O-N 3.09Å; A1216-A1220 WeakPolarHBondContact O-CB 3.47Å; A1216-A1220 PolarHBondContact O-N 3.05Å; A1216-W1232 HydrophobicContact CB-CD2 4.05Å; A1216-W1232 HydrophobicContact CB-CG 4.15Å |
| 1217 | L | 87.6 | Confident | 85.7 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.8 | -179.2 | 62.4 | 0 | 0 | 0 | 111.8 | P1213 E1214 L1219 A1220 E1221 I1229 W1232 C1233 L1236 V1279 | P1213-L1217 PolarHBondContact O-N 3.38Å; E1214-L1217 WeakPolarHBondContact O-CB 3.43Å; E1214-L1217 PolarHBondContact O-N 2.83Å; L1217-L1219 VanDerWaalsContact C-N 3.35Å; L1217-L1219 PolarHBondContact O-N 3.4Å; L1217-A1220 PolarHBondContact O-N 2.85Å; L1217-E1221 PolarHBondContact O-N 3.11Å; L1217-I1229 HydrophobicContact CD1-CG2 4.33Å; L1217-W1232 HydrophobicContact CB-CB 4.23Å; L1217-W1232 HydrophobicContact CD1-CB 4.4Å; L1217-C1233 VanDerWaalsContact CD1-SG 3.58Å; L1217-L1236 HydrophobicContact CB-CD1 4.38Å; L1217-L1236 HydrophobicContact CD2-CD1 3.98Å; L1217-V1279 HydrophobicContact CD1-CG2 4.45Å; L1217-V1279 HydrophobicContact CD2-CG2 4.37Å |
| 1218 | D | 87.6 | Confident | 85.6 | Confident | 87 Ų | 87 | 46 Ų | 46 | 47% | 0.465 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.6 | -73.4 | -27.2 | 0 | 0 | 0 | 112 | E1214 S1215 E1221 Q1222 | E1214-D1218 PolarHBondContact O-N 2.87Å; S1215-D1218 PolarHBondContact O-N 2.93Å; D1218-E1221 PolarHBondContact O-N 3.05Å; D1218-Q1222 WeakPolarHBondContact O-CB 3.26Å; D1218-Q1222 PolarHBondContact O-N 2.84Å |
| 1219 | L | 88.1 | Confident | 85.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.5 | -72.3 | 172.7 | 0 | 0 | 0 | 111.6 | I1125 I1128 R1129 I1203 V1206 S1215 A1216 L1217 E1221 Q1222 F1223 | I1125-L1219 HydrophobicContact CG2-CD1 4.41Å; I1128-L1219 HydrophobicContact CG2-CD1 4.03Å; R1129-L1219 HydrophobicContact CB-CD2 4Å; R1129-L1219 HydrophobicContact CG-CD2 4.14Å; I1203-L1219 HydrophobicContact CG1-CB 4.21Å; V1206-L1219 HydrophobicContact CB-CD1 4.42Å; V1206-L1219 HydrophobicContact CG1-CD1 4.39Å; V1206-L1219 HydrophobicContact CG2-CD1 3.83Å; S1215-L1219 VanDerWaalsContact O-CG 3.32Å; S1215-L1219 WeakPolarHBondContact O-CG 3.36Å; S1215-L1219 PolarHBondContact O-N 2.82Å; A1216-L1219 PolarHBondContact O-N 3.09Å; L1217-L1219 VanDerWaalsContact C-N 3.35Å; L1217-L1219 PolarHBondContact O-N 3.4Å; L1219-E1221 VanDerWaalsContact C-N 3.32Å; L1219-E1221 PolarHBondContact O-N 3.46Å; L1219-Q1222 PolarHBondContact O-N 2.91Å; L1219-F1223 HydrophobicContact CD2-CD2 4.34Å; L1219-F1223 HydrophobicContact CD2-CE2 3.95Å; L1219-F1223 WeakPolarHBondContact O-CB 3Å; L1219-F1223 VanDerWaalsContact O-CD2 3.3Å; L1219-F1223 WeakPolarHBondContact O-CD2 3.27Å; L1219-F1223 PolarHBondContact O-N 3.41Å |
| 1220 | A | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I1203 A1216 L1217 I1224 D1225 Q1228 I1229 | I1203-A1220 HydrophobicContact CD1-CB 4.21Å; I1203-A1220 HydrophobicContact CG2-CB 4.35Å; A1216-A1220 WeakPolarHBondContact O-CB 3.47Å; A1216-A1220 PolarHBondContact O-N 3.05Å; L1217-A1220 PolarHBondContact O-N 2.85Å; A1220-I1224 WeakPolarHBondContact O-CA 3.45Å; A1220-I1224 PolarHBondContact O-N 3.46Å; A1220-D1225 HydrophobicContact CB-CB 4.36Å; A1220-D1225 PolarHBondContact O-N 3.4Å; A1220-Q1228 HydrophobicContact CB-CB 3.88Å; A1220-I1229 HydrophobicContact CB-CG1 3.71Å |
| 1221 | E | 86 | Confident | 85.4 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -48.7 | 171.3 | -172.2 | -175.8 | 152 | 0 | 0 | 111.3 | L1217 D1218 L1219 F1223 I1224 R1282 I1283 | L1217-E1221 PolarHBondContact O-N 3.11Å; D1218-E1221 PolarHBondContact O-N 3.05Å; L1219-E1221 VanDerWaalsContact C-N 3.32Å; L1219-E1221 PolarHBondContact O-N 3.46Å; E1221-F1223 VanDerWaalsContact C-N 3.35Å; E1221-F1223 PolarHBondContact O-N 2.67Å; E1221-I1224 PolarHBondContact O-N 2.74Å; E1221-R1282 VanDerWaalsContact CD-CZ 3.48Å; E1221-R1282 IonicContact OE1-CZ 2.66Å; E1221-R1282 IonicContact OE1-NE 3.57Å; E1221-R1282 PolarHBondContact OE1-NE 3.21Å; E1221-R1282 IonicContact OE1-NH2 3.4Å; E1221-R1282 PolarHBondContact OE1-NH2 3.32Å; E1221-R1282 IonicContact OE2-CZ 3.1Å; E1221-R1282 IonicContact OE2-NE 2.81Å; E1221-R1282 PolarHBondContact OE2-NE 3.39Å; E1221-R1282 IonicContact OE2-NH1 3.64Å; E1221-R1282 IonicContact OE2-NH2 3.31Å; E1221-R1282 PolarHBondContact OE2-NH2 3.01Å; E1221-I1283 HydrophobicContact CG-CD1 4.44Å; E1221-I1283 HydrophobicContact CG-CG1 4.4Å |
| 1222 | Q | 86.6 | Confident | 85.3 | Confident | 93 Ų | 93 | 37 Ų | 37 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.9 | -37.9 | -177.8 | -173.7 | 177.4 | 16.5 | 0 | 0 | 113.2 | K1136 D1218 L1219 | K1136-Q1222 PolarHBondContact NZ-O 3.2Å; D1218-Q1222 WeakPolarHBondContact O-CB 3.26Å; D1218-Q1222 PolarHBondContact O-N 2.84Å; L1219-Q1222 PolarHBondContact O-N 2.91Å |
| 1223 | F | 85.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -102.8 | 5.8 | -177 | -65.5 | -71.7 | 0 | 0 | 0 | 114.4 | R1129 L1132 K1136 Y1195 R1199 L1219 E1221 | R1129-F1223 HydrophobicContact CG-CE2 4.14Å; R1129-F1223 HydrophobicContact CG-CZ 4.2Å; R1129-F1223 WeakPolarHBondContact O-CZ 3.46Å; L1132-F1223 HydrophobicContact CB-CD1 3.75Å; L1132-F1223 HydrophobicContact CB-CD2 3.93Å; L1132-F1223 HydrophobicContact CB-CE1 3.46Å; L1132-F1223 VanDerWaalsContact CB-CE1 3.46Å; L1132-F1223 HydrophobicContact CB-CE2 3.64Å; L1132-F1223 HydrophobicContact CB-CG 4Å; L1132-F1223 HydrophobicContact CB-CZ 3.41Å; L1132-F1223 VanDerWaalsContact CB-CZ 3.41Å; L1132-F1223 HydrophobicContact CD1-CD2 3.63Å; L1132-F1223 HydrophobicContact CD1-CE2 3.84Å; L1132-F1223 HydrophobicContact CD1-CG 4.11Å; L1132-F1223 HydrophobicContact CD1-CZ 4.48Å; L1132-F1223 HydrophobicContact CG-CD2 4.43Å; L1132-F1223 HydrophobicContact CG-CE2 4.41Å; K1136-F1223 HydrophobicContact CD-CD1 4.12Å; K1136-F1223 HydrophobicContact CD-CE1 4.37Å; Y1195-F1223 PolarHBondContact OH-O 2.97Å; R1199-F1223 WeakPolarHBondContact CD-O 3.43Å; R1199-F1223 HydrophobicContact CG-CB 4.18Å; R1199-F1223 PolarHBondContact NH1-O 3.45Å; L1219-F1223 HydrophobicContact CD2-CD2 4.34Å; L1219-F1223 HydrophobicContact CD2-CE2 3.95Å; L1219-F1223 WeakPolarHBondContact O-CB 3Å; L1219-F1223 VanDerWaalsContact O-CD2 3.3Å; L1219-F1223 WeakPolarHBondContact O-CD2 3.27Å; L1219-F1223 PolarHBondContact O-N 3.41Å; E1221-F1223 VanDerWaalsContact C-N 3.35Å; E1221-F1223 PolarHBondContact O-N 2.67Å |
| 1224 | I | 82.4 | Confident | 85.2 | Confident | 51 Ų | 51 | 34 Ų | 34 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 59 | 171.4 | -43.5 | 174.8 | 0 | 0 | 0 | 111.4 | R1199 A1220 E1221 W1287 | R1199-I1224 PolarHBondContact NH1-O 3.31Å; A1220-I1224 WeakPolarHBondContact O-CA 3.45Å; A1220-I1224 PolarHBondContact O-N 3.46Å; E1221-I1224 PolarHBondContact O-N 2.74Å; I1224-W1287 HydrophobicContact CB-CH2 4.36Å; I1224-W1287 HydrophobicContact CB-CZ3 4.31Å; I1224-W1287 HydrophobicContact CD1-CH2 3.7Å; I1224-W1287 HydrophobicContact CD1-CZ2 3.4Å; I1224-W1287 VanDerWaalsContact CD1-CZ2 3.4Å; I1224-W1287 HydrophobicContact CD1-CZ3 4.45Å; I1224-W1287 HydrophobicContact CG1-CH2 3.52Å; I1224-W1287 HydrophobicContact CG1-CZ2 3.79Å; I1224-W1287 HydrophobicContact CG1-CZ3 3.93Å; I1224-W1287 HydrophobicContact CG2-CD2 3.82Å; I1224-W1287 HydrophobicContact CG2-CE3 3.61Å; I1224-W1287 HydrophobicContact CG2-CH2 4.07Å; I1224-W1287 HydrophobicContact CG2-CZ2 4.19Å; I1224-W1287 HydrophobicContact CG2-CZ3 3.76Å |
| 1225 | D | 82.7 | Confident | 85 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | trans | -105.8 | 102.1 | 176.5 | -164.4 | -50.7 | 0 | 0 | 0 | 110.4 | R1199 I1203 A1220 D1227 Q1228 I1229 | R1199-D1225 HydrophobicContact CG-CB 4.38Å; R1199-D1225 IonicContact CZ-OD2 3Å; R1199-D1225 IonicContact NE-OD2 3.4Å; R1199-D1225 PolarHBondContact NE-OD2 3.48Å; R1199-D1225 IonicContact NH2-OD2 3.57Å; R1199-D1225 PolarHBondContact NH2-OD2 3.36Å; I1203-D1225 HydrophobicContact CD1-CB 4.13Å; A1220-D1225 HydrophobicContact CB-CB 4.36Å; A1220-D1225 PolarHBondContact O-N 3.4Å; D1225-D1227 VanDerWaalsContact C-N 3.34Å; D1225-D1227 PolarHBondContact O-N 2.95Å; D1225-D1227 PolarHBondContact OD1-N 2.88Å; D1225-Q1228 HydrophobicContact CB-CB 4.01Å; D1225-Q1228 HydrophobicContact CB-CG 4.26Å; D1225-Q1228 VanDerWaalsContact CG-CG 3.46Å; D1225-Q1228 WeakPolarHBondContact OD1-CG 3.47Å; D1225-Q1228 PolarHBondContact OD1-N 3.01Å; D1225-I1229 WeakPolarHBondContact O-CB 3.33Å; D1225-I1229 WeakPolarHBondContact O-CD1 3.3Å; D1225-I1229 WeakPolarHBondContact O-CG1 3.26Å; D1225-I1229 PolarHBondContact O-N 2.92Å | ||
| 1226 | R | 82 | Confident | 84.7 | Confident | 60 Ų | 60 | 29.9 Ų | 29.9 | 23% | 0.226 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | -172.5 | -63.4 | -178.9 | -174 | 164.7 | 5.6 | 111.8 | E860 M1230 W1287 L1289 Y1292 | E860-R1226 PolarHBondContact OE1-N 3.02Å; R1226-M1230 WeakPolarHBondContact O-CG 3.24Å; R1226-M1230 PolarHBondContact O-N 2.83Å; R1226-W1287 PolarHBondContact NE-O 3.24Å; R1226-W1287 PolarHBondContact NH2-O 2.93Å; R1226-L1289 HydrophobicContact CG-CD1 4.46Å; R1226-Y1292 HydrophobicContact CB-CD1 3.78Å; R1226-Y1292 HydrophobicContact CB-CE1 3.73Å; R1226-Y1292 HydrophobicContact CB-CG 4.4Å |
| 1227 | D | 82.1 | Confident | 84.3 | Confident | 68 Ų | 68 | 30 Ų | 30 | 36% | 0.364 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -66.3 | -47.6 | 179.7 | -75.2 | -41 | 0 | 0 | 0 | 111.6 | D1225 M1230 R1231 Y1292 | D1225-D1227 VanDerWaalsContact C-N 3.34Å; D1225-D1227 PolarHBondContact O-N 2.95Å; D1225-D1227 PolarHBondContact OD1-N 2.88Å; D1227-M1230 PolarHBondContact O-N 3.48Å; D1227-R1231 VanDerWaalsContact O-CB 3.28Å; D1227-R1231 WeakPolarHBondContact O-CB 3.49Å; D1227-R1231 PolarHBondContact O-N 3.47Å; D1227-Y1292 PolarHBondContact OD1-OH 2.89Å |
| 1228 | Q | 82.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.4 | -36.9 | 177.5 | -62.7 | -63.6 | -40.6 | 0 | 0 | 111.8 | I1203 A1220 D1225 M1230 R1231 W1232 | I1203-Q1228 HydrophobicContact CB-CG 4.29Å; I1203-Q1228 HydrophobicContact CG2-CB 3.92Å; I1203-Q1228 HydrophobicContact CG2-CG 3.98Å; A1220-Q1228 HydrophobicContact CB-CB 3.88Å; D1225-Q1228 HydrophobicContact CB-CB 4.01Å; D1225-Q1228 HydrophobicContact CB-CG 4.26Å; D1225-Q1228 VanDerWaalsContact CG-CG 3.46Å; D1225-Q1228 WeakPolarHBondContact OD1-CG 3.47Å; D1225-Q1228 PolarHBondContact OD1-N 3.01Å; Q1228-M1230 PolarHBondContact O-N 3.34Å; Q1228-R1231 PolarHBondContact O-N 3.14Å; Q1228-W1232 WeakPolarHBondContact O-CB 3.34Å; Q1228-W1232 PolarHBondContact O-N 3.04Å |
| 1229 | I | 84.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 173.3 | -72.5 | 163.6 | 0 | 0 | 0 | 110.1 | L1217 A1220 D1225 C1233 V1279 I1283 L1289 | L1217-I1229 HydrophobicContact CD1-CG2 4.33Å; A1220-I1229 HydrophobicContact CB-CG1 3.71Å; D1225-I1229 WeakPolarHBondContact O-CB 3.33Å; D1225-I1229 WeakPolarHBondContact O-CD1 3.3Å; D1225-I1229 WeakPolarHBondContact O-CG1 3.26Å; D1225-I1229 PolarHBondContact O-N 2.92Å; I1229-C1233 VanDerWaalsContact O-CB 3.23Å; I1229-C1233 WeakPolarHBondContact O-CB 3.4Å; I1229-C1233 PolarHBondContact O-N 3.07Å; I1229-C1233 PolarHBondContact O-SG 3.26Å; I1229-V1279 HydrophobicContact CG2-CG1 3.87Å; I1229-I1283 HydrophobicContact CD1-CD1 4.03Å; I1229-L1289 HydrophobicContact CG2-CD2 4.37Å |
| 1230 | M | 84.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | -179 | -73.6 | -53.5 | -56.5 | 0 | 0 | 111.6 | R1226 D1227 Q1228 W1232 Y1234 L1276 Y1292 A1293 W1296 F1297 | R1226-M1230 WeakPolarHBondContact O-CG 3.24Å; R1226-M1230 PolarHBondContact O-N 2.83Å; D1227-M1230 PolarHBondContact O-N 3.48Å; Q1228-M1230 PolarHBondContact O-N 3.34Å; M1230-W1232 PolarHBondContact O-N 3.34Å; M1230-Y1234 WeakPolarHBondContact O-CB 3.43Å; M1230-Y1234 PolarHBondContact O-N 3.45Å; M1230-L1276 HydrophobicContact CE-CD1 4.4Å; M1230-L1276 HydrophobicContact CE-CD2 4.36Å; M1230-L1276 HydrophobicContact SD-CD1 3.76Å; M1230-Y1292 HydrophobicContact CG-CD1 4.06Å; M1230-Y1292 HydrophobicContact CG-CE1 4.27Å; M1230-A1293 HydrophobicContact CE-CB 3.66Å; M1230-A1293 HydrophobicContact SD-CB 3.55Å; M1230-A1293 VanDerWaalsContact SD-CB 3.55Å; M1230-W1296 HydrophobicContact CB-CD2 4.06Å; M1230-W1296 HydrophobicContact CB-CG 4.15Å; M1230-W1296 HydrophobicContact CE-CD2 4.34Å; M1230-W1296 HydrophobicContact CE-CE3 4.02Å; M1230-W1296 HydrophobicContact CG-CG 4.33Å; M1230-F1297 HydrophobicContact CE-CD2 4.23Å; M1230-F1297 HydrophobicContact CE-CE2 3.57Å; M1230-F1297 HydrophobicContact CE-CZ 3.73Å |
| 1231 | R | 83.8 | Confident | 81.8 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 30% | 0.302 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 177.7 | 179.3 | 178.8 | 171.5 | -179 | -7.5 | 112.1 | D1208 D1227 Q1228 Y1234 L1235 | D1208-R1231 IonicContact OD1-CZ 3.38Å; D1208-R1231 IonicContact OD1-NH2 3.65Å; D1208-R1231 PolarHBondContact OD1-NH2 3.11Å; D1208-R1231 IonicContact OD2-CZ 3.46Å; D1208-R1231 IonicContact OD2-NH1 2.68Å; D1208-R1231 IonicContact OD2-NH2 2.9Å; D1208-R1231 PolarHBondContact OD2-NH2 2.91Å; D1227-R1231 VanDerWaalsContact O-CB 3.28Å; D1227-R1231 WeakPolarHBondContact O-CB 3.49Å; D1227-R1231 PolarHBondContact O-N 3.47Å; Q1228-R1231 PolarHBondContact O-N 3.14Å; R1231-Y1234 PolarHBondContact O-N 2.59Å; R1231-L1235 HydrophobicContact CG-CD1 4.05Å; R1231-L1235 WeakPolarHBondContact O-CG 3.42Å; R1231-L1235 PolarHBondContact O-N 3.01Å |
| 1232 | W | 83.7 | Confident | 81 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.8 | -38.1 | -177.2 | -69.1 | 115.6 | 0 | 0 | 0 | 112.8 | D1208 P1213 A1216 L1217 Q1228 M1230 Y1234 L1235 L1236 | D1208-W1232 WeakPolarHBondContact OD1-CH2 3.36Å; P1213-W1232 HydrophobicContact CB-CE3 3.6Å; P1213-W1232 HydrophobicContact CB-CZ3 3.84Å; A1216-W1232 HydrophobicContact CB-CD2 4.05Å; A1216-W1232 HydrophobicContact CB-CG 4.15Å; L1217-W1232 HydrophobicContact CB-CB 4.23Å; L1217-W1232 HydrophobicContact CD1-CB 4.4Å; Q1228-W1232 WeakPolarHBondContact O-CB 3.34Å; Q1228-W1232 PolarHBondContact O-N 3.04Å; M1230-W1232 PolarHBondContact O-N 3.34Å; W1232-Y1234 VanDerWaalsContact C-N 3.28Å; W1232-Y1234 PolarHBondContact O-N 3.26Å; W1232-L1235 HydrophobicContact CE3-CB 4.4Å; W1232-L1235 HydrophobicContact CE3-CD1 3.82Å; W1232-L1235 HydrophobicContact CH2-CD1 4.16Å; W1232-L1235 HydrophobicContact CZ3-CD1 3.61Å; W1232-L1235 PolarHBondContact O-N 3.35Å; W1232-L1236 VanDerWaalsContact O-CB 3.27Å; W1232-L1236 WeakPolarHBondContact O-CB 3.38Å; W1232-L1236 WeakPolarHBondContact O-CD1 3.41Å; W1232-L1236 VanDerWaalsContact O-CG 3.26Å; W1232-L1236 WeakPolarHBondContact O-CG 3.38Å; W1232-L1236 PolarHBondContact O-N 2.96Å |
| 1233 | C | 84 | Confident | 80.1 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 170.3 | -72.3 | 0 | 0 | 0 | 0 | 110.6 | L1217 I1229 E1237 | L1217-C1233 VanDerWaalsContact CD1-SG 3.58Å; I1229-C1233 VanDerWaalsContact O-CB 3.23Å; I1229-C1233 WeakPolarHBondContact O-CB 3.4Å; I1229-C1233 PolarHBondContact O-N 3.07Å; I1229-C1233 PolarHBondContact O-SG 3.26Å; C1233-E1237 WeakPolarHBondContact O-CB 3.46Å; C1233-E1237 VanDerWaalsContact O-CG 3.23Å; C1233-E1237 WeakPolarHBondContact O-CG 3.49Å; C1233-E1237 PolarHBondContact O-N 2.89Å |
| 1234 | Y | 83 | Confident | 79.1 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -51.5 | 179.1 | 175 | -97.8 | 0 | 0 | 0 | 112.4 | M1230 R1231 W1232 L1236 E1237 V1238 W1296 F1297 E1302 R1305 | M1230-Y1234 WeakPolarHBondContact O-CB 3.43Å; M1230-Y1234 PolarHBondContact O-N 3.45Å; R1231-Y1234 PolarHBondContact O-N 2.59Å; W1232-Y1234 VanDerWaalsContact C-N 3.28Å; W1232-Y1234 PolarHBondContact O-N 3.26Å; Y1234-L1236 PolarHBondContact O-N 3.04Å; Y1234-E1237 PolarHBondContact O-N 2.84Å; Y1234-V1238 HydrophobicContact CD1-CG2 4.45Å; Y1234-V1238 HydrophobicContact CE1-CG2 4.05Å; Y1234-V1238 HydrophobicContact CE2-CG2 4.19Å; Y1234-V1238 WeakPolarHBondContact O-CG2 3.39Å; Y1234-V1238 PolarHBondContact O-N 3.48Å; Y1234-W1296 HydrophobicContact CD1-CH2 4.35Å; Y1234-W1296 HydrophobicContact CD2-CH2 4.29Å; Y1234-W1296 HydrophobicContact CD2-CZ3 4.15Å; Y1234-W1296 AromaticContact CG-CH2 3.99Å; Y1234-W1296 HydrophobicContact CG-CH2 3.99Å; Y1234-W1296 HydrophobicContact CG-CZ3 4.26Å; Y1234-F1297 HydrophobicContact CD2-CE1 4.08Å; Y1234-E1302 WeakPolarHBondContact CE2-OE1 3.49Å; Y1234-E1302 WeakPolarHBondContact CE2-OE2 3.31Å; Y1234-E1302 VanDerWaalsContact CZ-OE1 3.28Å; Y1234-E1302 PolarHBondContact OH-OE1 3.28Å; Y1234-R1305 VanDerWaalsContact CD2-NH1 3.29Å |
| 1235 | L | 81.5 | Confident | 78.2 | Confident | 57 Ų | 57 | 49 Ų | 49 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -41.7 | -178.6 | -73.1 | 171.4 | 0 | 0 | 0 | 112.3 | R1231 W1232 V1238 Q1239 | R1231-L1235 HydrophobicContact CG-CD1 4.05Å; R1231-L1235 WeakPolarHBondContact O-CG 3.42Å; R1231-L1235 PolarHBondContact O-N 3.01Å; W1232-L1235 HydrophobicContact CE3-CB 4.4Å; W1232-L1235 HydrophobicContact CE3-CD1 3.82Å; W1232-L1235 HydrophobicContact CH2-CD1 4.16Å; W1232-L1235 HydrophobicContact CZ3-CD1 3.61Å; W1232-L1235 PolarHBondContact O-N 3.35Å; L1235-V1238 PolarHBondContact O-N 3.29Å; L1235-Q1239 VanDerWaalsContact O-CG 3.3Å; L1235-Q1239 WeakPolarHBondContact O-CG 3.46Å; L1235-Q1239 PolarHBondContact O-N 2.81Å |
| 1236 | L | 81.9 | Confident | 77.1 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -41 | 176.8 | -74.9 | 167 | 0 | 0 | 0 | 111.9 | P1213 E1214 L1217 W1232 Y1234 Q1239 D1240 | P1213-L1236 HydrophobicContact CB-CD1 4.39Å; P1213-L1236 HydrophobicContact CB-CD2 3.67Å; P1213-L1236 HydrophobicContact CB-CG 4Å; P1213-L1236 HydrophobicContact CG-CD2 3.56Å; P1213-L1236 HydrophobicContact CG-CG 4.43Å; E1214-L1236 HydrophobicContact CG-CD1 4.45Å; E1214-L1236 HydrophobicContact CG-CD2 4.06Å; L1217-L1236 HydrophobicContact CB-CD1 4.38Å; L1217-L1236 HydrophobicContact CD2-CD1 3.98Å; W1232-L1236 VanDerWaalsContact O-CB 3.27Å; W1232-L1236 WeakPolarHBondContact O-CB 3.38Å; W1232-L1236 WeakPolarHBondContact O-CD1 3.41Å; W1232-L1236 VanDerWaalsContact O-CG 3.26Å; W1232-L1236 WeakPolarHBondContact O-CG 3.38Å; W1232-L1236 PolarHBondContact O-N 2.96Å; Y1234-L1236 PolarHBondContact O-N 3.04Å; L1236-Q1239 PolarHBondContact O-N 3.16Å; L1236-D1240 VanDerWaalsContact O-CG 3.25Å; L1236-D1240 PolarHBondContact O-N 3.27Å |
| 1237 | E | 81.2 | Confident | 76 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 175.6 | -75.4 | 175.2 | -174.7 | 0 | 0 | 111.5 | C1233 Y1234 Q1239 D1240 E1241 H1273 R1275 L1276 R1305 | C1233-E1237 WeakPolarHBondContact O-CB 3.46Å; C1233-E1237 VanDerWaalsContact O-CG 3.23Å; C1233-E1237 WeakPolarHBondContact O-CG 3.49Å; C1233-E1237 PolarHBondContact O-N 2.89Å; Y1234-E1237 PolarHBondContact O-N 2.84Å; E1237-Q1239 VanDerWaalsContact C-N 3.33Å; E1237-Q1239 PolarHBondContact O-N 3.23Å; E1237-D1240 PolarHBondContact O-N 3.41Å; E1237-E1241 VanDerWaalsContact O-CG 3.31Å; E1237-E1241 WeakPolarHBondContact O-CG 3.36Å; E1237-E1241 PolarHBondContact O-N 3.38Å; E1237-H1273 WeakPolarHBondContact OE1-CA 3.4Å; E1237-H1273 PolarHBondContact OE2-N 2.75Å; E1237-H1273 VanDerWaalsContact OE2-N 3.17Å; E1237-R1275 HydrophobicContact CG-CB 4.17Å; E1237-R1275 HydrophobicContact CG-CG 4.41Å; E1237-R1275 PolarHBondContact OE1-N 3.35Å; E1237-L1276 PolarHBondContact OE1-N 2.9Å; E1237-R1305 IonicContact OE2-NH1 2.74Å |
| 1238 | V | 78.4 | Confident | 74.7 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | Y1234 L1235 E1241 Q1242 | Y1234-V1238 HydrophobicContact CD1-CG2 4.45Å; Y1234-V1238 HydrophobicContact CE1-CG2 4.05Å; Y1234-V1238 HydrophobicContact CE2-CG2 4.19Å; Y1234-V1238 WeakPolarHBondContact O-CG2 3.39Å; Y1234-V1238 PolarHBondContact O-N 3.48Å; L1235-V1238 PolarHBondContact O-N 3.29Å; V1238-E1241 PolarHBondContact O-N 3.25Å; V1238-Q1242 WeakPolarHBondContact O-CG 3.33Å; V1238-Q1242 PolarHBondContact O-N 3.29Å |
| 1239 | Q | 73.9 | Confident | 73.3 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 175.7 | -75.6 | 175.3 | -5.9 | 0 | 0 | 112 | L1235 L1236 E1237 E1241 Q1242 Y1243 | L1235-Q1239 VanDerWaalsContact O-CG 3.3Å; L1235-Q1239 WeakPolarHBondContact O-CG 3.46Å; L1235-Q1239 PolarHBondContact O-N 2.81Å; L1236-Q1239 PolarHBondContact O-N 3.16Å; E1237-Q1239 VanDerWaalsContact C-N 3.33Å; E1237-Q1239 PolarHBondContact O-N 3.23Å; Q1239-E1241 VanDerWaalsContact C-N 3.31Å; Q1239-E1241 PolarHBondContact O-N 3.22Å; Q1239-Q1242 PolarHBondContact O-N 2.83Å; Q1239-Y1243 WeakPolarHBondContact O-CB 3.18Å; Q1239-Y1243 PolarHBondContact O-N 2.67Å |
| 1240 | D | 74.7 | Confident | 72 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.3 | -69.4 | -22.4 | 0 | 0 | 0 | 110.8 | L1236 E1237 N1244 R1275 | L1236-D1240 VanDerWaalsContact O-CG 3.25Å; L1236-D1240 PolarHBondContact O-N 3.27Å; E1237-D1240 PolarHBondContact O-N 3.41Å; D1240-N1244 WeakPolarHBondContact O-CB 3.25Å; D1240-N1244 VanDerWaalsContact O-CG 3.29Å; D1240-N1244 PolarHBondContact O-N 3.32Å; D1240-N1244 PolarHBondContact O-ND2 2.97Å; D1240-R1275 IonicContact OD1-CZ 3.16Å; D1240-R1275 IonicContact OD1-NH2 3.86Å; D1240-R1275 PolarHBondContact OD1-NH2 3.28Å; D1240-R1275 IonicContact OD2-CZ 3.85Å; D1240-R1275 IonicContact OD2-NE 2.79Å; D1240-R1275 PolarHBondContact OD2-NE 2.82Å; D1240-R1275 IonicContact OD2-NH2 3.94Å; D1240-R1275 PolarHBondContact OD2-NH2 2.87Å; D1240-R1275 VanDerWaalsContact OD2-NH2 3.08Å |
| 1241 | E | 72.3 | Confident | 70.3 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 174.9 | -75.4 | 173.1 | -160.2 | 0 | 0 | 112.2 | E1237 V1238 Q1239 L1245 F1271 H1272 | E1237-E1241 VanDerWaalsContact O-CG 3.31Å; E1237-E1241 WeakPolarHBondContact O-CG 3.36Å; E1237-E1241 PolarHBondContact O-N 3.38Å; V1238-E1241 PolarHBondContact O-N 3.25Å; Q1239-E1241 VanDerWaalsContact C-N 3.31Å; Q1239-E1241 PolarHBondContact O-N 3.22Å; E1241-L1245 PolarHBondContact O-N 2.96Å; E1241-F1271 HydrophobicContact CG-CB 4.37Å; E1241-H1272 IonicContact OE1-CE1 2.78Å; E1241-H1272 PolarHBondContact OE1-CE1 2.99Å; E1241-H1272 IonicContact OE1-CG 2.71Å; E1241-H1272 IonicContact OE1-ND1 3.74Å; E1241-H1272 PolarHBondContact OE1-ND1 3.41Å; E1241-H1272 IonicContact OE2-CE1 2.82Å |
| 1242 | Q | 70.2 | Confident | 68.6 | Low | 112 Ų | 112 | 71 Ų | 71 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 178.8 | -73.8 | 174.3 | 1.8 | 0 | 0 | 112.4 | V1238 Q1239 L1245 N1246 | V1238-Q1242 WeakPolarHBondContact O-CG 3.33Å; V1238-Q1242 PolarHBondContact O-N 3.29Å; Q1239-Q1242 PolarHBondContact O-N 2.83Å; Q1242-L1245 PolarHBondContact O-N 3.43Å; Q1242-N1246 VanDerWaalsContact O-CG 3.26Å; Q1242-N1246 PolarHBondContact O-N 3.1Å; Q1242-N1246 PolarHBondContact O-ND2 3.41Å |
| 1243 | Y | 66.5 | Low | 66.9 | Low | 159 Ų | 159 | 78.3 Ų | 78.3 | 62% | 0.624 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 178.1 | -177 | -95.4 | 0 | 0 | 0 | 111.2 | Q1239 L1245 N1246 V1247 | Q1239-Y1243 WeakPolarHBondContact O-CB 3.18Å; Q1239-Y1243 PolarHBondContact O-N 2.67Å; Y1243-L1245 VanDerWaalsContact C-N 3.33Å; Y1243-L1245 PolarHBondContact O-N 3.07Å; Y1243-N1246 PolarHBondContact O-N 3.25Å; Y1243-V1247 HydrophobicContact CD1-CG2 4.09Å; Y1243-V1247 HydrophobicContact CE1-CG2 3.68Å; Y1243-V1247 HydrophobicContact CE2-CG2 4.46Å; Y1243-V1247 WeakPolarHBondContact O-CG2 3.43Å; Y1243-V1247 PolarHBondContact O-N 3.19Å |
| 1244 | N | 64.9 | Low | 65.1 | Low | 64 Ų | 64 | 86.6 Ų | 86.6 | 34% | 0.342 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 177 | -74.2 | -40.1 | 0 | 0 | 0 | 112.5 | D1240 L1248 F1271 | D1240-N1244 WeakPolarHBondContact O-CB 3.25Å; D1240-N1244 VanDerWaalsContact O-CG 3.29Å; D1240-N1244 PolarHBondContact O-N 3.32Å; D1240-N1244 PolarHBondContact O-ND2 2.97Å; N1244-L1248 WeakPolarHBondContact O-CB 3.43Å; N1244-L1248 PolarHBondContact O-N 3.16Å; N1244-L1248 VanDerWaalsContact O-N 3.09Å; N1244-F1271 WeakPolarHBondContact ND2-CE1 3.4Å |
| 1245 | L | 63.4 | Low | 63.3 | Low | 108 Ų | 108 | 90.8 Ų | 90.8 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 173.8 | -165.7 | 75.8 | 0 | 0 | 0 | 111.3 | E1241 Q1242 Y1243 L1248 D1249 | E1241-L1245 PolarHBondContact O-N 2.96Å; Q1242-L1245 PolarHBondContact O-N 3.43Å; Y1243-L1245 VanDerWaalsContact C-N 3.33Å; Y1243-L1245 PolarHBondContact O-N 3.07Å; L1245-L1248 PolarHBondContact O-N 3.29Å; L1245-D1249 PolarHBondContact O-N 2.95Å |
| 1246 | N | 59.6 | Low | 61.7 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | -179.7 | -67.7 | -17.2 | 0 | 0 | 0 | 112.9 | Q1242 Y1243 L1248 G1250 | Q1242-N1246 VanDerWaalsContact O-CG 3.26Å; Q1242-N1246 PolarHBondContact O-N 3.1Å; Q1242-N1246 PolarHBondContact O-ND2 3.41Å; Y1243-N1246 PolarHBondContact O-N 3.25Å; N1246-L1248 VanDerWaalsContact C-N 3.31Å; N1246-G1250 PolarHBondContact O-N 2.78Å; N1246-G1250 VanDerWaalsContact O-N 3.16Å |
| 1247 | V | 59.7 | Low | 59.9 | Low | 71 Ų | 71 | 103.6 Ų | 103.6 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Y1243 | Y1243-V1247 HydrophobicContact CD1-CG2 4.09Å; Y1243-V1247 HydrophobicContact CE1-CG2 3.68Å; Y1243-V1247 HydrophobicContact CE2-CG2 4.46Å; Y1243-V1247 WeakPolarHBondContact O-CG2 3.43Å; Y1243-V1247 PolarHBondContact O-N 3.19Å |
| 1248 | L | 53.9 | Low | 58.3 | Low | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.3 | -39.1 | 177.8 | -162.2 | 67.7 | 0 | 0 | 0 | 111.9 | N1244 L1245 N1246 G1250 C1251 | N1244-L1248 WeakPolarHBondContact O-CB 3.43Å; N1244-L1248 PolarHBondContact O-N 3.16Å; N1244-L1248 VanDerWaalsContact O-N 3.09Å; L1245-L1248 PolarHBondContact O-N 3.29Å; N1246-L1248 VanDerWaalsContact C-N 3.31Å; L1248-G1250 VanDerWaalsContact C-N 3.3Å; L1248-G1250 PolarHBondContact O-N 2.87Å; L1248-C1251 PolarHBondContact O-N 2.79Å |
| 1249 | D | 54.1 | Low | 56.6 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.2 | -30.4 | 177.9 | -144.3 | 24.5 | 0 | 0 | 0 | 112 | L1245 C1251 I1252 | L1245-D1249 PolarHBondContact O-N 2.95Å; D1249-C1251 VanDerWaalsContact C-N 3.3Å; D1249-C1251 PolarHBondContact O-N 3.15Å; D1249-I1252 WeakPolarHBondContact OD1-CD1 3.42Å |
| 1250 | G | 57.1 | Low | 54.8 | Low | 67 Ų | 67 | 113.9 Ų | 113.9 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -14.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1246 L1248 | N1246-G1250 PolarHBondContact O-N 2.78Å; N1246-G1250 VanDerWaalsContact O-N 3.16Å; L1248-G1250 VanDerWaalsContact C-N 3.3Å; L1248-G1250 PolarHBondContact O-N 2.87Å |
| 1251 | C | 48.3 | Very low | 53.6 | Low | 98 Ų | 98 | 115.7 Ų | 115.7 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 8.4 | 177.9 | -77.2 | 0 | 0 | 0 | 0 | 113.5 | L1248 D1249 D1253 | L1248-C1251 PolarHBondContact O-N 2.79Å; D1249-C1251 VanDerWaalsContact C-N 3.3Å; D1249-C1251 PolarHBondContact O-N 3.15Å; C1251-D1253 PolarHBondContact O-N 2.64Å |
| 1252 | I | 47.5 | Very low | 52.3 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | trans | -80.4 | 65 | 170.1 | -48.7 | 176.4 | 0 | 0 | 0 | 108.8 | D1249 | D1249-I1252 WeakPolarHBondContact OD1-CD1 3.42Š| ||
| 1253 | D | 48.1 | Very low | 51.1 | Low | 161 Ų | 161 | 116.2 Ų | 116.2 | 86% | 0.861 | 66% | 0.657 | S | S | * | * | trans | -75.3 | 119.3 | 148.3 | -102.5 | -25.7 | 0 | 0 | 0 | 106.3 | C1251 | C1251-D1253 PolarHBondContact O-N 2.64Š| ||
| 1254 | K | 46.1 | Very low | 50 | Low | 176 Ų | 176 | 113.7 Ų | 113.7 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -57.8 | 146.4 | -177.1 | -63 | 173.9 | 179.8 | 175.9 | 0 | 109.5 | ||
| 1255 | D | 46.2 | Very low | 49 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | trans | 99.2 | 71.3 | 171.9 | -47.2 | -23.3 | 0 | 0 | 0 | 113.9 | ||||
| 1256 | D | 46.9 | Very low | 48.1 | Very low | 169 Ų | 169 | 116.3 Ų | 116.3 | 90% | 0.904 | 66% | 0.664 | S | S | * | * | trans | -166 | 76.2 | 135.1 | -90.4 | -24.1 | 0 | 0 | 0 | 109.8 | N1258 | D1256-N1258 PolarHBondContact O-N 2.77Š| ||
| 1257 | D | 45.1 | Very low | 47.5 | Very low | 161 Ų | 161 | 114.9 Ų | 114.9 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -63.9 | 93.4 | 164.9 | -89.2 | -30.7 | 0 | 0 | 0 | 108.9 | ||||
| 1258 | N | 46.7 | Very low | 46.8 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -167.6 | 99.1 | 155.7 | -88.9 | -37 | 0 | 0 | 0 | 113.3 | D1256 | D1256-N1258 PolarHBondContact O-N 2.77Š|
| 1259 | G | 43.3 | Very low | 46.7 | Very low | 78 Ų | 78 | 120 Ų | 120 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 92.4 | 27.5 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 1260 | L | 36.4 | Very low | 46.7 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | trans | -108.7 | 12.1 | -175.9 | -76.4 | 171.1 | 0 | 0 | 0 | 117.4 | S1262 I1263 | L1260-S1262 PolarHBondContact O-N 3.28Å; L1260-I1263 HydrophobicContact CD2-CD1 3.9Å; L1260-I1263 PolarHBondContact O-N 2.96Å | ||
| 1261 | S | 49.5 | Very low | 46.6 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.4 | -23.8 | -171.8 | 62.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1262 | S | 44.6 | Very low | 47.3 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.5 | -23.7 | 179.2 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | L1260 | L1260-S1262 PolarHBondContact O-N 3.28Å |
| 1263 | I | 46 | Very low | 48.4 | Very low | 85 Ų | 85 | 115 Ų | 115 | 44% | 0.436 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.5 | -27.6 | 176.6 | -70.1 | 168.9 | 0 | 0 | 0 | 110.6 | L1260 D1266 Q1267 | L1260-I1263 HydrophobicContact CD2-CD1 3.9Å; L1260-I1263 PolarHBondContact O-N 2.96Å; I1263-D1266 PolarHBondContact O-N 3.19Å; I1263-Q1267 WeakPolarHBondContact O-CG 3.48Å; I1263-Q1267 PolarHBondContact O-N 3.5Å |
| 1264 | E | 42.9 | Very low | 49.5 | Very low | 106 Ų | 106 | 113.2 Ų | 113.2 | 50% | 0.495 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.5 | -36 | -177.7 | -72.2 | 174.6 | 179.2 | 0 | 0 | 113.6 | Q1267 R1268 | E1264-Q1267 PolarHBondContact O-N 2.96Å; E1264-R1268 PolarHBondContact O-N 3.2Å; E1264-R1268 VanDerWaalsContact O-N 3.08Å |
| 1265 | I | 44 | Very low | 50.9 | Low | 117 Ų | 117 | 107 Ų | 107 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.1 | -36.7 | 178.8 | -58.9 | 175.6 | 0 | 0 | 0 | 110.9 | Q1267 R1268 N1269 | I1265-Q1267 VanDerWaalsContact C-N 3.26Å; I1265-Q1267 PolarHBondContact O-N 3.48Å; I1265-R1268 PolarHBondContact O-N 3.48Å; I1265-N1269 PolarHBondContact O-N 3.35Å |
| 1266 | D | 44.9 | Very low | 52.5 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.7 | -17.9 | 174.9 | -109.8 | 8.7 | 0 | 0 | 0 | 113.3 | I1263 R1270 | I1263-D1266 PolarHBondContact O-N 3.19Å; D1266-R1270 PolarHBondContact O-NE 3.22Å; D1266-R1270 VanDerWaalsContact O-NE 3.15Å |
| 1267 | Q | 46.7 | Very low | 53.7 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -80.2 | -40.5 | 169.6 | -72.7 | -179.6 | 19.2 | 0 | 0 | 111.3 | I1263 E1264 I1265 N1269 R1270 F1271 | I1263-Q1267 WeakPolarHBondContact O-CG 3.48Å; I1263-Q1267 PolarHBondContact O-N 3.5Å; E1264-Q1267 PolarHBondContact O-N 2.96Å; I1265-Q1267 VanDerWaalsContact C-N 3.26Å; I1265-Q1267 PolarHBondContact O-N 3.48Å; Q1267-N1269 VanDerWaalsContact C-N 3.34Å; Q1267-N1269 PolarHBondContact O-N 3.03Å; Q1267-R1270 WeakPolarHBondContact O-CB 3.41Å; Q1267-R1270 PolarHBondContact O-N 3Å; Q1267-R1270 VanDerWaalsContact O-N 3.1Å; Q1267-F1271 VanDerWaalsContact O-CD2 3.25Å; Q1267-F1271 WeakPolarHBondContact O-CD2 3.22Å; Q1267-F1271 WeakPolarHBondContact O-CE2 3.39Å |
| 1268 | R | 45.5 | Very low | 55.1 | Low | 185 Ų | 185 | 87.2 Ų | 87.2 | 70% | 0.698 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | -179.2 | -151.6 | 172 | -175.5 | 157.6 | 1.7 | 112.4 | E1264 I1265 R1270 | E1264-R1268 PolarHBondContact O-N 3.2Å; E1264-R1268 VanDerWaalsContact O-N 3.08Å; I1265-R1268 PolarHBondContact O-N 3.48Å; R1268-R1270 VanDerWaalsContact C-N 3.31Å; R1268-R1270 PolarHBondContact O-N 2.85Å |
| 1269 | N | 50.2 | Low | 56.5 | Low | 94 Ų | 94 | 79.8 Ų | 79.8 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.2 | 176.5 | -74 | -19.2 | 0 | 0 | 0 | 114.6 | I1265 Q1267 F1271 | I1265-N1269 PolarHBondContact O-N 3.35Å; Q1267-N1269 VanDerWaalsContact C-N 3.34Å; Q1267-N1269 PolarHBondContact O-N 3.03Å; N1269-F1271 VanDerWaalsContact C-N 3.29Å; N1269-F1271 PolarHBondContact O-N 2.7Å |
| 1270 | R | 54.7 | Low | 58 | Low | 165 Ų | 165 | 77.8 Ų | 77.8 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.1 | -176.5 | -106.7 | -176.2 | -87.3 | 178.2 | -8.8 | 113.9 | D1266 Q1267 R1268 | D1266-R1270 PolarHBondContact O-NE 3.22Å; D1266-R1270 VanDerWaalsContact O-NE 3.15Å; Q1267-R1270 WeakPolarHBondContact O-CB 3.41Å; Q1267-R1270 PolarHBondContact O-N 3Å; Q1267-R1270 VanDerWaalsContact O-N 3.1Å; R1268-R1270 VanDerWaalsContact C-N 3.31Å; R1268-R1270 PolarHBondContact O-N 2.85Å |
| 1271 | F | 54.4 | Low | 59.7 | Low | 81 Ų | 81 | 82.2 Ų | 82.2 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -28.2 | -173.8 | -63.7 | -73.2 | 0 | 0 | 0 | 114.2 | E1241 N1244 Q1267 N1269 H1273 H1274 | E1241-F1271 HydrophobicContact CG-CB 4.37Å; N1244-F1271 WeakPolarHBondContact ND2-CE1 3.4Å; Q1267-F1271 VanDerWaalsContact O-CD2 3.25Å; Q1267-F1271 WeakPolarHBondContact O-CD2 3.22Å; Q1267-F1271 WeakPolarHBondContact O-CE2 3.39Å; N1269-F1271 VanDerWaalsContact C-N 3.29Å; N1269-F1271 PolarHBondContact O-N 2.7Å; F1271-H1273 PolarHBondContact O-N 2.77Å; F1271-H1274 PolarHBondContact O-N 3.38Å |
| 1272 | H | 63.8 | Low | 60.8 | Low | 45 Ų | 45 | 85.2 Ų | 85.2 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 113.2 | 174.9 | -56.9 | -47.2 | 0 | 0 | 0 | 108.4 | E1241 | E1241-H1272 IonicContact OE1-CE1 2.78Å; E1241-H1272 PolarHBondContact OE1-CE1 2.99Å; E1241-H1272 IonicContact OE1-CG 2.71Å; E1241-H1272 IonicContact OE1-ND1 3.74Å; E1241-H1272 PolarHBondContact OE1-ND1 3.41Å; E1241-H1272 IonicContact OE2-CE1 2.82Å |
| 1273 | H | 70.5 | Confident | 62.1 | Low | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 12.5 | 178.2 | -39.4 | -56.4 | 0 | 0 | 0 | 118.6 | E1237 F1271 L1276 A1277 R1305 S1308 L1309 L1312 | E1237-H1273 WeakPolarHBondContact OE1-CA 3.4Å; E1237-H1273 PolarHBondContact OE2-N 2.75Å; E1237-H1273 VanDerWaalsContact OE2-N 3.17Å; F1271-H1273 PolarHBondContact O-N 2.77Å; H1273-L1276 HydrophobicContact CB-CB 4.31Å; H1273-L1276 HydrophobicContact CB-CD2 4.5Å; H1273-A1277 WeakPolarHBondContact O-CB 3.48Å; H1273-A1277 PolarHBondContact O-N 3.37Å; H1273-R1305 PolarHBondContact NE2-O 2.94Å; H1273-R1305 VanDerWaalsContact NE2-O 3.11Å; H1273-S1308 PolarHBondContact CD2-OG 3.47Å; H1273-S1308 WeakPolarHBondContact NE2-CB 3.21Å; H1273-L1309 PolarHBondContact CD2-N 3.47Å; H1273-L1309 PolarHBondContact NE2-N 3.34Å; H1273-L1312 HydrophobicContact CB-CD1 3.66Å |
| 1274 | H | 71.7 | Confident | 63.2 | Low | 124 Ų | 124 | 80.4 Ų | 80.4 | 57% | 0.574 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 178.2 | -177.5 | 71.6 | 0 | 0 | 0 | 112.3 | F1271 A1277 S1278 | F1271-H1274 PolarHBondContact O-N 3.38Å; H1274-A1277 PolarHBondContact O-N 2.91Å; H1274-S1278 PolarHBondContact O-N 2.71Å; H1274-S1278 VanDerWaalsContact O-N 3.09Å |
| 1275 | R | 75.6 | Confident | 64.2 | Low | 47 Ų | 47 | 80.8 Ų | 80.8 | 18% | 0.177 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.6 | -45.4 | 179.3 | -67.2 | -171.3 | -174.8 | -127.6 | 9.4 | 110 | E1214 E1237 D1240 A1277 S1278 V1279 | E1214-R1275 IonicContact OE1-CZ 3.97Å; E1214-R1275 IonicContact OE1-NH1 3.4Å; E1214-R1275 PolarHBondContact OE1-NH1 3Å; E1214-R1275 IonicContact OE1-NH2 2.73Å; E1214-R1275 PolarHBondContact OE1-NH2 3.48Å; E1237-R1275 HydrophobicContact CG-CB 4.17Å; E1237-R1275 HydrophobicContact CG-CG 4.41Å; E1237-R1275 PolarHBondContact OE1-N 3.35Å; D1240-R1275 IonicContact OD1-CZ 3.16Å; D1240-R1275 IonicContact OD1-NH2 3.86Å; D1240-R1275 PolarHBondContact OD1-NH2 3.28Å; D1240-R1275 IonicContact OD2-CZ 3.85Å; D1240-R1275 IonicContact OD2-NE 2.79Å; D1240-R1275 PolarHBondContact OD2-NE 2.82Å; D1240-R1275 IonicContact OD2-NH2 3.94Å; D1240-R1275 PolarHBondContact OD2-NH2 2.87Å; D1240-R1275 VanDerWaalsContact OD2-NH2 3.08Å; R1275-A1277 VanDerWaalsContact C-N 3.3Å; R1275-A1277 PolarHBondContact O-N 2.87Å; R1275-S1278 WeakPolarHBondContact O-CB 3.11Å; R1275-S1278 PolarHBondContact O-N 3.03Å; R1275-S1278 PolarHBondContact O-OG 2.7Å; R1275-V1279 WeakPolarHBondContact O-CG2 3.03Å; R1275-V1279 PolarHBondContact O-N 3.21Å |
| 1276 | L | 78.1 | Confident | 65.1 | Low | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.4 | -42.5 | 174.6 | -178.7 | 62.4 | 0 | 0 | 0 | 112.2 | M1230 E1237 H1273 S1278 V1279 I1280 A1293 F1297 L1309 | M1230-L1276 HydrophobicContact CE-CD1 4.4Å; M1230-L1276 HydrophobicContact CE-CD2 4.36Å; M1230-L1276 HydrophobicContact SD-CD1 3.76Å; E1237-L1276 PolarHBondContact OE1-N 2.9Å; H1273-L1276 HydrophobicContact CB-CB 4.31Å; H1273-L1276 HydrophobicContact CB-CD2 4.5Å; L1276-S1278 VanDerWaalsContact C-N 3.32Å; L1276-S1278 PolarHBondContact O-N 3.42Å; L1276-V1279 PolarHBondContact O-N 3.22Å; L1276-I1280 HydrophobicContact CD1-CD1 4.09Å; L1276-I1280 HydrophobicContact CD1-CG1 4.29Å; L1276-I1280 HydrophobicContact CD2-CD1 4.44Å; L1276-I1280 HydrophobicContact CG-CD1 3.8Å; L1276-I1280 HydrophobicContact CG-CG1 4.41Å; L1276-I1280 WeakPolarHBondContact O-CB 3.5Å; L1276-I1280 VanDerWaalsContact O-CG1 3.25Å; L1276-I1280 WeakPolarHBondContact O-CG1 3.31Å; L1276-I1280 PolarHBondContact O-N 3.48Å; L1276-A1293 HydrophobicContact CD2-CB 4.26Å; L1276-F1297 HydrophobicContact CD2-CE2 3.93Å; L1276-F1297 HydrophobicContact CD2-CZ 4.42Å; L1276-L1309 HydrophobicContact CD2-CD1 3.73Å; L1276-L1309 HydrophobicContact CD2-CD2 4.17Å |
| 1277 | A | 73.3 | Confident | 66 | Low | 10 Ų | 10 | 80.5 Ų | 80.5 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1273 H1274 R1275 R1281 L1312 | H1273-A1277 WeakPolarHBondContact O-CB 3.48Å; H1273-A1277 PolarHBondContact O-N 3.37Å; H1274-A1277 PolarHBondContact O-N 2.91Å; R1275-A1277 VanDerWaalsContact C-N 3.3Å; R1275-A1277 PolarHBondContact O-N 2.87Å; A1277-R1281 WeakPolarHBondContact O-CG 3.4Å; A1277-R1281 PolarHBondContact O-N 3.31Å; A1277-L1312 HydrophobicContact CB-CD1 4Å; A1277-L1312 HydrophobicContact CB-CD2 4.04Å |
| 1278 | S | 74.9 | Confident | 67.1 | Low | 48 Ų | 48 | 83 Ų | 83 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 174.1 | 79 | 0 | 0 | 0 | 0 | 111.8 | H1274 R1275 L1276 R1281 R1282 | H1274-S1278 PolarHBondContact O-N 2.71Å; H1274-S1278 VanDerWaalsContact O-N 3.09Å; R1275-S1278 WeakPolarHBondContact O-CB 3.11Å; R1275-S1278 PolarHBondContact O-N 3.03Å; R1275-S1278 PolarHBondContact O-OG 2.7Å; L1276-S1278 VanDerWaalsContact C-N 3.32Å; L1276-S1278 PolarHBondContact O-N 3.42Å; S1278-R1281 PolarHBondContact O-N 3.13Å; S1278-R1282 PolarHBondContact O-N 2.8Å |
| 1279 | V | 75.2 | Confident | 68.4 | Low | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -45 | 177.8 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L1217 I1229 R1275 L1276 R1281 R1282 I1283 L1289 | L1217-V1279 HydrophobicContact CD1-CG2 4.45Å; L1217-V1279 HydrophobicContact CD2-CG2 4.37Å; I1229-V1279 HydrophobicContact CG2-CG1 3.87Å; R1275-V1279 WeakPolarHBondContact O-CG2 3.03Å; R1275-V1279 PolarHBondContact O-N 3.21Å; L1276-V1279 PolarHBondContact O-N 3.22Å; V1279-R1281 PolarHBondContact O-N 3.31Å; V1279-R1282 PolarHBondContact O-N 2.71Å; V1279-I1283 HydrophobicContact CG1-CD1 3.43Å; V1279-I1283 VanDerWaalsContact CG1-CD1 3.43Å; V1279-I1283 HydrophobicContact CG1-CG1 4.25Å; V1279-I1283 WeakPolarHBondContact O-CB 2.76Å; V1279-I1283 PolarHBondContact O-N 2.95Å; V1279-L1289 HydrophobicContact CG1-CD2 4Å |
| 1280 | I | 75.1 | Confident | 69.5 | Low | 37 Ų | 37 | 71.1 Ų | 71.1 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -32.4 | 175.8 | -70.7 | 168.5 | 0 | 0 | 0 | 111.8 | L1276 L1289 P1290 L1313 | L1276-I1280 HydrophobicContact CD1-CD1 4.09Å; L1276-I1280 HydrophobicContact CD1-CG1 4.29Å; L1276-I1280 HydrophobicContact CD2-CD1 4.44Å; L1276-I1280 HydrophobicContact CG-CD1 3.8Å; L1276-I1280 HydrophobicContact CG-CG1 4.41Å; L1276-I1280 WeakPolarHBondContact O-CB 3.5Å; L1276-I1280 VanDerWaalsContact O-CG1 3.25Å; L1276-I1280 WeakPolarHBondContact O-CG1 3.31Å; L1276-I1280 PolarHBondContact O-N 3.48Å; I1280-L1289 HydrophobicContact CG1-CD2 4.18Å; I1280-P1290 HydrophobicContact CG2-CG 4.31Å; I1280-L1313 HydrophobicContact CD1-CD2 4.31Å |
| 1281 | R | 72.1 | Confident | 70.2 | Confident | 200 Ų | 200 | 65.6 Ų | 65.6 | 76% | 0.755 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.7 | -29.2 | 176.6 | -75.8 | 176.3 | -175 | 149.3 | 3.3 | 114 | A1277 S1278 V1279 | A1277-R1281 WeakPolarHBondContact O-CG 3.4Å; A1277-R1281 PolarHBondContact O-N 3.31Å; S1278-R1281 PolarHBondContact O-N 3.13Å; V1279-R1281 PolarHBondContact O-N 3.31Å |
| 1282 | R | 73 | Confident | 71 | Confident | 155 Ų | 155 | 64 Ų | 64 | 59% | 0.585 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -83.6 | -32.6 | -179.1 | -71.6 | 171.2 | 60.1 | 170.2 | -1.1 | 112 | E1221 S1278 V1279 | E1221-R1282 VanDerWaalsContact CD-CZ 3.48Å; E1221-R1282 IonicContact OE1-CZ 2.66Å; E1221-R1282 IonicContact OE1-NE 3.57Å; E1221-R1282 PolarHBondContact OE1-NE 3.21Å; E1221-R1282 IonicContact OE1-NH2 3.4Å; E1221-R1282 PolarHBondContact OE1-NH2 3.32Å; E1221-R1282 IonicContact OE2-CZ 3.1Å; E1221-R1282 IonicContact OE2-NE 2.81Å; E1221-R1282 PolarHBondContact OE2-NE 3.39Å; E1221-R1282 IonicContact OE2-NH1 3.64Å; E1221-R1282 IonicContact OE2-NH2 3.31Å; E1221-R1282 PolarHBondContact OE2-NH2 3.01Å; S1278-R1282 PolarHBondContact O-N 2.8Å; V1279-R1282 PolarHBondContact O-N 2.71Å |
| 1283 | I | 71.7 | Confident | 71.6 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -84.5 | 139.9 | -174.2 | -74.6 | 178.7 | 0 | 0 | 0 | 112.1 | E1221 I1229 V1279 W1287 L1289 | E1221-I1283 HydrophobicContact CG-CD1 4.44Å; E1221-I1283 HydrophobicContact CG-CG1 4.4Å; I1229-I1283 HydrophobicContact CD1-CD1 4.03Å; V1279-I1283 HydrophobicContact CG1-CD1 3.43Å; V1279-I1283 VanDerWaalsContact CG1-CD1 3.43Å; V1279-I1283 HydrophobicContact CG1-CG1 4.25Å; V1279-I1283 WeakPolarHBondContact O-CB 2.76Å; V1279-I1283 PolarHBondContact O-N 2.95Å; I1283-W1287 HydrophobicContact CB-CE3 4.12Å; I1283-W1287 HydrophobicContact CB-CZ3 4.12Å; I1283-W1287 HydrophobicContact CD1-CE3 3.96Å; I1283-W1287 HydrophobicContact CD1-CZ3 3.72Å; I1283-W1287 HydrophobicContact CG1-CE3 4.02Å; I1283-W1287 HydrophobicContact CG1-CH2 4.44Å; I1283-W1287 HydrophobicContact CG1-CZ3 3.6Å; I1283-W1287 HydrophobicContact CG2-CB 4.13Å; I1283-W1287 HydrophobicContact CG2-CD2 3.65Å; I1283-W1287 HydrophobicContact CG2-CE3 3.12Å; I1283-W1287 HydrophobicContact CG2-CG 4.14Å; I1283-W1287 HydrophobicContact CG2-CH2 4.47Å; I1283-W1287 HydrophobicContact CG2-CZ3 3.61Å; I1283-L1289 HydrophobicContact CD1-CD2 3.82Å |
| 1284 | P | 69 | Low | 71.7 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | trans | -60.2 | 143 | 173.8 | -23 | 33.1 | 0 | 0 | 0 | 113.9 | E1286 W1287 | P1284-E1286 PolarHBondContact O-N 3Å; P1284-E1286 VanDerWaalsContact O-N 3.11Å; P1284-W1287 HydrophobicContact CG-CZ2 4.21Å; P1284-W1287 PolarHBondContact O-N 3.47Å | ||
| 1285 | S | 63.1 | Low | 71.8 | Confident | 113 Ų | 113 | 60.7 Ų | 60.7 | 79% | 0.79 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.9 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | W1287 K1288 | S1285-W1287 PolarHBondContact O-N 3.03Å; S1285-K1288 PolarHBondContact O-N 2.88Å |
| 1286 | E | 64 | Low | 71.9 | Confident | 165 Ų | 165 | 60 Ų | 60 | 77% | 0.771 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -60 | -26.2 | 177 | -63.3 | 178.9 | -177.5 | 0 | 0 | 113.2 | P1284 K1288 | P1284-E1286 PolarHBondContact O-N 3Å; P1284-E1286 VanDerWaalsContact O-N 3.11Å; E1286-K1288 VanDerWaalsContact C-N 3.26Å; E1286-K1288 PolarHBondContact O-N 2.95Å |
| 1287 | W | 62.9 | Low | 71.8 | Confident | 56 Ų | 56 | 60 Ų | 60 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -80.3 | -5.7 | -175.9 | -60.9 | -0.3 | 0 | 0 | 0 | 113.5 | I1224 R1226 I1283 P1284 S1285 L1289 | I1224-W1287 HydrophobicContact CB-CH2 4.36Å; I1224-W1287 HydrophobicContact CB-CZ3 4.31Å; I1224-W1287 HydrophobicContact CD1-CH2 3.7Å; I1224-W1287 HydrophobicContact CD1-CZ2 3.4Å; I1224-W1287 VanDerWaalsContact CD1-CZ2 3.4Å; I1224-W1287 HydrophobicContact CD1-CZ3 4.45Å; I1224-W1287 HydrophobicContact CG1-CH2 3.52Å; I1224-W1287 HydrophobicContact CG1-CZ2 3.79Å; I1224-W1287 HydrophobicContact CG1-CZ3 3.93Å; I1224-W1287 HydrophobicContact CG2-CD2 3.82Å; I1224-W1287 HydrophobicContact CG2-CE3 3.61Å; I1224-W1287 HydrophobicContact CG2-CH2 4.07Å; I1224-W1287 HydrophobicContact CG2-CZ2 4.19Å; I1224-W1287 HydrophobicContact CG2-CZ3 3.76Å; R1226-W1287 PolarHBondContact NE-O 3.24Å; R1226-W1287 PolarHBondContact NH2-O 2.93Å; I1283-W1287 HydrophobicContact CB-CE3 4.12Å; I1283-W1287 HydrophobicContact CB-CZ3 4.12Å; I1283-W1287 HydrophobicContact CD1-CE3 3.96Å; I1283-W1287 HydrophobicContact CD1-CZ3 3.72Å; I1283-W1287 HydrophobicContact CG1-CE3 4.02Å; I1283-W1287 HydrophobicContact CG1-CH2 4.44Å; I1283-W1287 HydrophobicContact CG1-CZ3 3.6Å; I1283-W1287 HydrophobicContact CG2-CB 4.13Å; I1283-W1287 HydrophobicContact CG2-CD2 3.65Å; I1283-W1287 HydrophobicContact CG2-CE3 3.12Å; I1283-W1287 HydrophobicContact CG2-CG 4.14Å; I1283-W1287 HydrophobicContact CG2-CH2 4.47Å; I1283-W1287 HydrophobicContact CG2-CZ3 3.61Å; P1284-W1287 HydrophobicContact CG-CZ2 4.21Å; P1284-W1287 PolarHBondContact O-N 3.47Å; S1285-W1287 PolarHBondContact O-N 3.03Å; W1287-L1289 PolarHBondContact O-N 2.7Å |
| 1288 | K | 70.4 | Confident | 71.7 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | trans | 48.2 | 32.8 | -180 | -57.8 | -178.9 | -176.6 | 173.6 | 0 | 113.3 | S1285 E1286 P1290 D1291 Y1292 | S1285-K1288 PolarHBondContact O-N 2.88Å; E1286-K1288 VanDerWaalsContact C-N 3.26Å; E1286-K1288 PolarHBondContact O-N 2.95Å; K1288-P1290 VanDerWaalsContact C-N 3.3Å; K1288-D1291 HydrophobicContact CB-CB 4.37Å; K1288-D1291 WeakPolarHBondContact O-CB 3.4Å; K1288-D1291 PolarHBondContact O-N 3.3Å; K1288-D1291 VanDerWaalsContact O-N 3.16Å; K1288-Y1292 PolarHBondContact O-N 3.3Å | ||
| 1289 | L | 73.5 | Confident | 71.6 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -36.5 | 179.3 | -173.1 | 67 | 0 | 0 | 0 | 112.8 | R1226 I1229 V1279 I1280 I1283 W1287 D1291 Y1292 A1293 | R1226-L1289 HydrophobicContact CG-CD1 4.46Å; I1229-L1289 HydrophobicContact CG2-CD2 4.37Å; V1279-L1289 HydrophobicContact CG1-CD2 4Å; I1280-L1289 HydrophobicContact CG1-CD2 4.18Å; I1283-L1289 HydrophobicContact CD1-CD2 3.82Å; W1287-L1289 PolarHBondContact O-N 2.7Å; L1289-D1291 PolarHBondContact O-N 2.84Å; L1289-Y1292 PolarHBondContact O-N 3.01Å; L1289-A1293 VanDerWaalsContact O-CB 3.32Å; L1289-A1293 WeakPolarHBondContact O-CB 3.47Å; L1289-A1293 PolarHBondContact O-N 2.99Å |
| 1290 | P | 72.8 | Confident | 71.5 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 16% | 0.156 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 174.2 | -26.7 | 36.9 | 0 | 0 | 0 | 113.6 | I1280 K1288 Y1292 A1293 L1294 L1313 | I1280-P1290 HydrophobicContact CG2-CG 4.31Å; K1288-P1290 VanDerWaalsContact C-N 3.3Å; P1290-Y1292 VanDerWaalsContact C-N 3.3Å; P1290-Y1292 PolarHBondContact O-N 3.26Å; P1290-A1293 PolarHBondContact O-N 2.81Å; P1290-L1294 WeakPolarHBondContact O-CG 3.07Å; P1290-L1294 PolarHBondContact O-N 3.18Å; P1290-L1294 VanDerWaalsContact O-N 3.09Å; P1290-L1313 HydrophobicContact CB-CD1 3.9Å; P1290-L1313 HydrophobicContact CB-CD2 3.84Å; P1290-L1313 HydrophobicContact CG-CD2 4.18Å |
| 1291 | D | 68.4 | Low | 71.2 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 177 | -65.4 | -30.8 | 0 | 0 | 0 | 110.5 | K1288 L1289 L1294 Q1295 P1413 | K1288-D1291 HydrophobicContact CB-CB 4.37Å; K1288-D1291 WeakPolarHBondContact O-CB 3.4Å; K1288-D1291 PolarHBondContact O-N 3.3Å; K1288-D1291 VanDerWaalsContact O-N 3.16Å; L1289-D1291 PolarHBondContact O-N 2.84Å; D1291-L1294 PolarHBondContact O-N 2.81Å; D1291-Q1295 PolarHBondContact O-N 2.94Å; D1291-Q1295 VanDerWaalsContact O-N 3.09Å; D1291-P1413 WeakPolarHBondContact OD1-CB 3.25Å |
| 1292 | Y | 71.6 | Confident | 71.1 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 18% | 0.184 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 178.3 | -166.1 | -103.1 | 0 | 0 | 0 | 112.2 | R1226 D1227 M1230 K1288 L1289 P1290 L1294 Q1295 W1296 | R1226-Y1292 HydrophobicContact CB-CD1 3.78Å; R1226-Y1292 HydrophobicContact CB-CE1 3.73Å; R1226-Y1292 HydrophobicContact CB-CG 4.4Å; D1227-Y1292 PolarHBondContact OD1-OH 2.89Å; M1230-Y1292 HydrophobicContact CG-CD1 4.06Å; M1230-Y1292 HydrophobicContact CG-CE1 4.27Å; K1288-Y1292 PolarHBondContact O-N 3.3Å; L1289-Y1292 PolarHBondContact O-N 3.01Å; P1290-Y1292 VanDerWaalsContact C-N 3.3Å; P1290-Y1292 PolarHBondContact O-N 3.26Å; Y1292-L1294 VanDerWaalsContact C-N 3.32Å; Y1292-L1294 PolarHBondContact O-N 2.74Å; Y1292-Q1295 PolarHBondContact O-N 2.79Å; Y1292-W1296 WeakPolarHBondContact O-CB 3.4Å; Y1292-W1296 PolarHBondContact O-N 2.89Å |
| 1293 | A | 77.2 | Confident | 70.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1230 L1276 L1289 P1290 W1296 F1297 L1309 | M1230-A1293 HydrophobicContact CE-CB 3.66Å; M1230-A1293 HydrophobicContact SD-CB 3.55Å; M1230-A1293 VanDerWaalsContact SD-CB 3.55Å; L1276-A1293 HydrophobicContact CD2-CB 4.26Å; L1289-A1293 VanDerWaalsContact O-CB 3.32Å; L1289-A1293 WeakPolarHBondContact O-CB 3.47Å; L1289-A1293 PolarHBondContact O-N 2.99Å; P1290-A1293 PolarHBondContact O-N 2.81Å; A1293-W1296 PolarHBondContact O-N 3.19Å; A1293-F1297 WeakPolarHBondContact O-CD2 3.31Å; A1293-F1297 PolarHBondContact O-N 2.94Å; A1293-L1309 HydrophobicContact CB-CD2 3.8Å |
| 1294 | L | 73.2 | Confident | 70.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.6 | -72.5 | 169.7 | 0 | 0 | 0 | 112.1 | P1290 D1291 Y1292 W1296 L1298 V1306 L1309 L1310 L1313 F1417 | P1290-L1294 WeakPolarHBondContact O-CG 3.07Å; P1290-L1294 PolarHBondContact O-N 3.18Å; P1290-L1294 VanDerWaalsContact O-N 3.09Å; D1291-L1294 PolarHBondContact O-N 2.81Å; Y1292-L1294 VanDerWaalsContact C-N 3.32Å; Y1292-L1294 PolarHBondContact O-N 2.74Å; L1294-W1296 VanDerWaalsContact C-N 3.33Å; L1294-L1298 WeakPolarHBondContact O-CB 3.33Å; L1294-L1298 PolarHBondContact O-N 3.3Å; L1294-V1306 HydrophobicContact CD2-CG1 4.26Å; L1294-L1309 HydrophobicContact CD2-CB 4.36Å; L1294-L1309 HydrophobicContact CD2-CD2 3.81Å; L1294-L1309 HydrophobicContact CD2-CG 4.09Å; L1294-L1309 HydrophobicContact CG-CD2 4.05Å; L1294-L1310 HydrophobicContact CD1-CD2 3.9Å; L1294-L1310 HydrophobicContact CD2-CD2 3.77Å; L1294-L1310 HydrophobicContact CD2-CG 3.65Å; L1294-L1313 HydrophobicContact CD1-CD1 4.01Å; L1294-L1313 HydrophobicContact CG-CD1 4.3Å; L1294-F1417 HydrophobicContact CB-CD1 4.34Å; L1294-F1417 HydrophobicContact CB-CD2 3.99Å; L1294-F1417 HydrophobicContact CB-CE1 4.12Å; L1294-F1417 HydrophobicContact CB-CE2 3.78Å; L1294-F1417 HydrophobicContact CB-CG 4.28Å; L1294-F1417 HydrophobicContact CB-CZ 3.84Å; L1294-F1417 HydrophobicContact CD1-CB 4.2Å; L1294-F1417 HydrophobicContact CD1-CD1 4.13Å; L1294-F1417 HydrophobicContact CD1-CD2 4.43Å; L1294-F1417 HydrophobicContact CD1-CG 4.01Å; L1294-F1417 HydrophobicContact CD2-CE1 4.47Å |
| 1295 | Q | 73.7 | Confident | 70.8 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.6 | -176.5 | 172.5 | -8.7 | 0 | 0 | 111.9 | D1291 Y1292 L1298 S1299 | D1291-Q1295 PolarHBondContact O-N 2.94Å; D1291-Q1295 VanDerWaalsContact O-N 3.09Å; Y1292-Q1295 PolarHBondContact O-N 2.79Å; Q1295-L1298 PolarHBondContact O-N 3.29Å; Q1295-S1299 PolarHBondContact O-N 3.4Å; Q1295-S1299 PolarHBondContact O-OG 3.32Å |
| 1296 | W | 76 | Confident | 71.1 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -50.4 | 178 | -169.1 | 93.8 | 0 | 0 | 0 | 111 | M1230 Y1234 Y1292 A1293 L1294 L1298 S1299 H1300 | M1230-W1296 HydrophobicContact CB-CD2 4.06Å; M1230-W1296 HydrophobicContact CB-CG 4.15Å; M1230-W1296 HydrophobicContact CE-CD2 4.34Å; M1230-W1296 HydrophobicContact CE-CE3 4.02Å; M1230-W1296 HydrophobicContact CG-CG 4.33Å; Y1234-W1296 HydrophobicContact CD1-CH2 4.35Å; Y1234-W1296 HydrophobicContact CD2-CH2 4.29Å; Y1234-W1296 HydrophobicContact CD2-CZ3 4.15Å; Y1234-W1296 AromaticContact CG-CH2 3.99Å; Y1234-W1296 HydrophobicContact CG-CH2 3.99Å; Y1234-W1296 HydrophobicContact CG-CZ3 4.26Å; Y1292-W1296 WeakPolarHBondContact O-CB 3.4Å; Y1292-W1296 PolarHBondContact O-N 2.89Å; A1293-W1296 PolarHBondContact O-N 3.19Å; L1294-W1296 VanDerWaalsContact C-N 3.33Å; W1296-L1298 VanDerWaalsContact C-N 3.32Å; W1296-L1298 PolarHBondContact O-N 3Å; W1296-S1299 PolarHBondContact O-N 2.91Å; W1296-S1299 PolarHBondContact O-OG 3.13Å; W1296-H1300 AromaticContact CD1-CE1 3.97Å; W1296-H1300 AromaticContact CD2-CE1 3.66Å; W1296-H1300 AromaticContact CD2-ND1 3.65Å; W1296-H1300 AromaticContact CE2-CE1 3.2Å; W1296-H1300 AromaticContact CE2-ND1 3.67Å; W1296-H1300 AromaticContact CE2-NE2 3.85Å; W1296-H1300 AromaticContact CE3-ND1 3.88Å; W1296-H1300 AromaticContact CH2-CE1 4Å; W1296-H1300 AromaticContact CZ2-CE1 3.4Å; W1296-H1300 VanDerWaalsContact CZ2-CE1 3.4Å; W1296-H1300 WeakPolarHBondContact CZ2-CE1 3.4Å; W1296-H1300 AromaticContact CZ2-ND1 3.92Å; W1296-H1300 AromaticContact CZ2-NE2 3.56Å; W1296-H1300 AromaticContact NE1-CE1 3.43Å; W1296-H1300 PolarHBondContact NE1-CE1 2.99Å; W1296-H1300 PolarHBondContact O-N 3.24Å; W1296-H1300 PolarHBondContact O-ND1 2.77Å |
| 1297 | F | 76.6 | Confident | 71.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 176.8 | -73.4 | -58.9 | 0 | 0 | 0 | 113.1 | M1230 Y1234 L1276 A1293 H1300 D1301 E1302 R1305 V1306 L1309 | M1230-F1297 HydrophobicContact CE-CD2 4.23Å; M1230-F1297 HydrophobicContact CE-CE2 3.57Å; M1230-F1297 HydrophobicContact CE-CZ 3.73Å; Y1234-F1297 HydrophobicContact CD2-CE1 4.08Å; L1276-F1297 HydrophobicContact CD2-CE2 3.93Å; L1276-F1297 HydrophobicContact CD2-CZ 4.42Å; A1293-F1297 WeakPolarHBondContact O-CD2 3.31Å; A1293-F1297 PolarHBondContact O-N 2.94Å; F1297-H1300 PolarHBondContact O-N 3.39Å; F1297-D1301 PolarHBondContact O-N 3.21Å; F1297-E1302 HydrophobicContact CD1-CB 4.46Å; F1297-E1302 PolarHBondContact O-N 2.97Å; F1297-R1305 HydrophobicContact CD1-CB 4Å; F1297-R1305 HydrophobicContact CE1-CB 4.21Å; F1297-R1305 HydrophobicContact CG-CB 4.31Å; F1297-V1306 HydrophobicContact CB-CG2 3.56Å; F1297-L1309 HydrophobicContact CD2-CD2 3.78Å; F1297-L1309 HydrophobicContact CE2-CD2 3.86Å |
| 1298 | L | 71.8 | Confident | 71.5 | Confident | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.2 | -173.4 | 71.1 | 0 | 0 | 0 | 111.5 | L1294 Q1295 W1296 H1300 D1301 F1417 V1423 Y1426 | L1294-L1298 WeakPolarHBondContact O-CB 3.33Å; L1294-L1298 PolarHBondContact O-N 3.3Å; Q1295-L1298 PolarHBondContact O-N 3.29Å; W1296-L1298 VanDerWaalsContact C-N 3.32Å; W1296-L1298 PolarHBondContact O-N 3Å; L1298-H1300 PolarHBondContact O-N 2.94Å; L1298-D1301 PolarHBondContact O-N 3.45Å; L1298-F1417 HydrophobicContact CB-CZ 4.33Å; L1298-F1417 HydrophobicContact CD2-CE2 4.46Å; L1298-F1417 HydrophobicContact CD2-CZ 4.01Å; L1298-V1423 HydrophobicContact CD2-CG1 4.48Å; L1298-V1423 HydrophobicContact CD2-CG2 3.87Å; L1298-Y1426 HydrophobicContact CD1-CD2 4.01Å; L1298-Y1426 HydrophobicContact CD1-CE2 3.73Å |
| 1299 | S | 72.7 | Confident | 71.6 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 63% | 0.629 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.6 | -22.9 | 178.5 | 68 | 0 | 0 | 0 | 0 | 113.9 | Q1295 W1296 | Q1295-S1299 PolarHBondContact O-N 3.4Å; Q1295-S1299 PolarHBondContact O-OG 3.32Å; W1296-S1299 PolarHBondContact O-N 2.91Å; W1296-S1299 PolarHBondContact O-OG 3.13Å |
| 1300 | H | 72 | Confident | 71.4 | Confident | 100 Ų | 100 | 46.5 Ų | 46.5 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.7 | 177.3 | -67.8 | 78.3 | 0 | 0 | 0 | 113.7 | W1296 F1297 L1298 E1302 | W1296-H1300 AromaticContact CD1-CE1 3.97Å; W1296-H1300 AromaticContact CD2-CE1 3.66Å; W1296-H1300 AromaticContact CD2-ND1 3.65Å; W1296-H1300 AromaticContact CE2-CE1 3.2Å; W1296-H1300 AromaticContact CE2-ND1 3.67Å; W1296-H1300 AromaticContact CE2-NE2 3.85Å; W1296-H1300 AromaticContact CE3-ND1 3.88Å; W1296-H1300 AromaticContact CH2-CE1 4Å; W1296-H1300 AromaticContact CZ2-CE1 3.4Å; W1296-H1300 VanDerWaalsContact CZ2-CE1 3.4Å; W1296-H1300 WeakPolarHBondContact CZ2-CE1 3.4Å; W1296-H1300 AromaticContact CZ2-ND1 3.92Å; W1296-H1300 AromaticContact CZ2-NE2 3.56Å; W1296-H1300 AromaticContact NE1-CE1 3.43Å; W1296-H1300 PolarHBondContact NE1-CE1 2.99Å; W1296-H1300 PolarHBondContact O-N 3.24Å; W1296-H1300 PolarHBondContact O-ND1 2.77Å; F1297-H1300 PolarHBondContact O-N 3.39Å; L1298-H1300 PolarHBondContact O-N 2.94Å; H1300-E1302 HydrophobicContact CB-CG 4.44Å; H1300-E1302 PolarHBondContact O-N 3.48Å |
| 1301 | D | 68.7 | Low | 71.2 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 22 | -176.9 | -157.1 | 26 | 0 | 0 | 0 | 114.9 | F1297 L1298 R1303 | F1297-D1301 PolarHBondContact O-N 3.21Å; L1298-D1301 PolarHBondContact O-N 3.45Å; D1301-R1303 VanDerWaalsContact C-N 3.33Å; D1301-R1303 PolarHBondContact O-N 2.93Å; D1301-R1303 IonicContact OD1-CZ 3.74Å; D1301-R1303 VanDerWaalsContact OD1-CZ 3.25Å; D1301-R1303 IonicContact OD1-NE 2.97Å; D1301-R1303 PolarHBondContact OD1-NE 2.97Å; D1301-R1303 IonicContact OD1-NH2 2.68Å; D1301-R1303 PolarHBondContact OD1-NH2 3.3Å; D1301-R1303 IonicContact OD2-NH2 3.87Å; D1301-R1303 PolarHBondContact OD2-NH2 2.89Å |
| 1302 | E | 71.5 | Confident | 71.2 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | trans | -85.9 | 69 | 179.7 | -68.9 | -152.5 | 164.6 | 0 | 0 | 113 | Y1234 F1297 H1300 A1304 R1305 V1306 | Y1234-E1302 WeakPolarHBondContact CE2-OE1 3.49Å; Y1234-E1302 WeakPolarHBondContact CE2-OE2 3.31Å; Y1234-E1302 VanDerWaalsContact CZ-OE1 3.28Å; Y1234-E1302 PolarHBondContact OH-OE1 3.28Å; F1297-E1302 HydrophobicContact CD1-CB 4.46Å; F1297-E1302 PolarHBondContact O-N 2.97Å; H1300-E1302 HydrophobicContact CB-CG 4.44Å; H1300-E1302 PolarHBondContact O-N 3.48Å; E1302-A1304 VanDerWaalsContact C-N 3.31Å; E1302-A1304 PolarHBondContact O-N 3.43Å; E1302-R1305 HydrophobicContact CB-CB 4.33Å; E1302-R1305 PolarHBondContact O-N 3.47Å; E1302-R1305 VanDerWaalsContact O-N 3.13Å; E1302-R1305 WeakPolarHBondContact OE2-CD 3.46Å; E1302-R1305 IonicContact OE2-CZ 3.72Å; E1302-R1305 IonicContact OE2-NE 3.4Å; E1302-R1305 PolarHBondContact OE2-NE 2.68Å; E1302-R1305 IonicContact OE2-NH2 3.82Å; E1302-V1306 PolarHBondContact O-N 3.3Å | ||
| 1303 | R | 66.7 | Low | 71.1 | Confident | 132 Ų | 132 | 45.7 Ų | 45.7 | 50% | 0.498 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.8 | -36.3 | -172.3 | -60.2 | 171.4 | -168.5 | 175.7 | 11.6 | 114.4 | D1301 V1306 Q1307 Y1426 | D1301-R1303 VanDerWaalsContact C-N 3.33Å; D1301-R1303 PolarHBondContact O-N 2.93Å; D1301-R1303 IonicContact OD1-CZ 3.74Å; D1301-R1303 VanDerWaalsContact OD1-CZ 3.25Å; D1301-R1303 IonicContact OD1-NE 2.97Å; D1301-R1303 PolarHBondContact OD1-NE 2.97Å; D1301-R1303 IonicContact OD1-NH2 2.68Å; D1301-R1303 PolarHBondContact OD1-NH2 3.3Å; D1301-R1303 IonicContact OD2-NH2 3.87Å; D1301-R1303 PolarHBondContact OD2-NH2 2.89Å; R1303-V1306 PolarHBondContact O-N 3.33Å; R1303-Q1307 PolarHBondContact O-N 2.83Å; R1303-Y1426 HydrophobicContact CG-CE1 3.85Å |
| 1304 | A | 68.2 | Low | 70.6 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1302 Q1307 S1308 | E1302-A1304 VanDerWaalsContact C-N 3.31Å; E1302-A1304 PolarHBondContact O-N 3.43Å; A1304-Q1307 PolarHBondContact O-N 2.9Å; A1304-S1308 WeakPolarHBondContact O-CB 3.25Å; A1304-S1308 PolarHBondContact O-N 2.93Å |
| 1305 | R | 71.5 | Confident | 70.2 | Confident | 23 Ų | 23 | 58 Ų | 58 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.7 | -36 | 176.8 | -75.7 | -158.8 | -146.4 | -145.9 | -0.6 | 112.3 | Y1234 E1237 H1273 F1297 E1302 Q1307 S1308 L1309 | Y1234-R1305 VanDerWaalsContact CD2-NH1 3.29Å; E1237-R1305 IonicContact OE2-NH1 2.74Å; H1273-R1305 PolarHBondContact NE2-O 2.94Å; H1273-R1305 VanDerWaalsContact NE2-O 3.11Å; F1297-R1305 HydrophobicContact CD1-CB 4Å; F1297-R1305 HydrophobicContact CE1-CB 4.21Å; F1297-R1305 HydrophobicContact CG-CB 4.31Å; E1302-R1305 HydrophobicContact CB-CB 4.33Å; E1302-R1305 PolarHBondContact O-N 3.47Å; E1302-R1305 VanDerWaalsContact O-N 3.13Å; E1302-R1305 WeakPolarHBondContact OE2-CD 3.46Å; E1302-R1305 IonicContact OE2-CZ 3.72Å; E1302-R1305 IonicContact OE2-NE 3.4Å; E1302-R1305 PolarHBondContact OE2-NE 2.68Å; E1302-R1305 IonicContact OE2-NH2 3.82Å; R1305-Q1307 VanDerWaalsContact C-N 3.33Å; R1305-Q1307 PolarHBondContact O-N 3.1Å; R1305-S1308 PolarHBondContact O-N 3.31Å; R1305-L1309 WeakPolarHBondContact O-CB 3.36Å; R1305-L1309 PolarHBondContact O-N 3.34Å |
| 1306 | V | 70.4 | Confident | 69.7 | Low | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 172.8 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | L1294 F1297 E1302 R1303 L1309 L1310 F1417 | L1294-V1306 HydrophobicContact CD2-CG1 4.26Å; F1297-V1306 HydrophobicContact CB-CG2 3.56Å; E1302-V1306 PolarHBondContact O-N 3.3Å; R1303-V1306 PolarHBondContact O-N 3.33Å; V1306-L1309 PolarHBondContact O-N 2.95Å; V1306-L1310 HydrophobicContact CG1-CD1 3.82Å; V1306-L1310 HydrophobicContact CG1-CG 4.42Å; V1306-L1310 WeakPolarHBondContact O-CB 3.02Å; V1306-L1310 WeakPolarHBondContact O-CD1 3.17Å; V1306-L1310 WeakPolarHBondContact O-CG 3.12Å; V1306-L1310 PolarHBondContact O-N 3.1Å; V1306-F1417 HydrophobicContact CG1-CE1 4.27Å |
| 1307 | Q | 66.7 | Low | 68.9 | Low | 79 Ų | 79 | 55.2 Ų | 55.2 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.7 | -71.2 | -179.9 | -10.1 | 0 | 0 | 112.6 | R1303 A1304 R1305 L1310 A1311 | R1303-Q1307 PolarHBondContact O-N 2.83Å; A1304-Q1307 PolarHBondContact O-N 2.9Å; R1305-Q1307 VanDerWaalsContact C-N 3.33Å; R1305-Q1307 PolarHBondContact O-N 3.1Å; Q1307-L1310 PolarHBondContact O-N 2.92Å; Q1307-A1311 WeakPolarHBondContact O-CB 3.31Å; Q1307-A1311 PolarHBondContact O-N 3.34Å |
| 1308 | S | 68.5 | Low | 67.7 | Low | 31 Ų | 31 | 58.6 Ų | 58.6 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 112 | H1273 A1304 R1305 A1311 L1312 | H1273-S1308 PolarHBondContact CD2-OG 3.47Å; H1273-S1308 WeakPolarHBondContact NE2-CB 3.21Å; A1304-S1308 WeakPolarHBondContact O-CB 3.25Å; A1304-S1308 PolarHBondContact O-N 2.93Å; R1305-S1308 PolarHBondContact O-N 3.31Å; S1308-A1311 PolarHBondContact O-N 3.31Å; S1308-L1312 WeakPolarHBondContact O-CB 3.3Å; S1308-L1312 PolarHBondContact O-N 3.23Å |
| 1309 | L | 71.8 | Confident | 66.8 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 176.9 | -178.2 | 60.9 | 0 | 0 | 0 | 111.9 | H1273 L1276 A1293 L1294 F1297 R1305 V1306 A1311 L1312 L1313 | H1273-L1309 PolarHBondContact CD2-N 3.47Å; H1273-L1309 PolarHBondContact NE2-N 3.34Å; L1276-L1309 HydrophobicContact CD2-CD1 3.73Å; L1276-L1309 HydrophobicContact CD2-CD2 4.17Å; A1293-L1309 HydrophobicContact CB-CD2 3.8Å; L1294-L1309 HydrophobicContact CD2-CB 4.36Å; L1294-L1309 HydrophobicContact CD2-CD2 3.81Å; L1294-L1309 HydrophobicContact CD2-CG 4.09Å; L1294-L1309 HydrophobicContact CG-CD2 4.05Å; F1297-L1309 HydrophobicContact CD2-CD2 3.78Å; F1297-L1309 HydrophobicContact CE2-CD2 3.86Å; R1305-L1309 WeakPolarHBondContact O-CB 3.36Å; R1305-L1309 PolarHBondContact O-N 3.34Å; V1306-L1309 PolarHBondContact O-N 2.95Å; L1309-A1311 VanDerWaalsContact C-N 3.32Å; L1309-A1311 PolarHBondContact O-N 2.93Å; L1309-L1312 PolarHBondContact O-N 3.08Å; L1309-L1313 HydrophobicContact CD1-CD1 4.36Å; L1309-L1313 HydrophobicContact CD1-CG 4.17Å; L1309-L1313 HydrophobicContact CG-CD1 4.06Å; L1309-L1313 HydrophobicContact CG-CG 4.31Å; L1309-L1313 WeakPolarHBondContact O-CB 3.47Å; L1309-L1313 WeakPolarHBondContact O-CG 3.49Å; L1309-L1313 PolarHBondContact O-N 3.07Å |
| 1310 | L | 70.1 | Confident | 65.2 | Low | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 175.7 | -75.1 | 163.7 | 0 | 0 | 0 | 111.3 | L1294 V1306 Q1307 L1312 L1313 H1314 V1414 F1417 L1418 H1430 | L1294-L1310 HydrophobicContact CD1-CD2 3.9Å; L1294-L1310 HydrophobicContact CD2-CD2 3.77Å; L1294-L1310 HydrophobicContact CD2-CG 3.65Å; V1306-L1310 HydrophobicContact CG1-CD1 3.82Å; V1306-L1310 HydrophobicContact CG1-CG 4.42Å; V1306-L1310 WeakPolarHBondContact O-CB 3.02Å; V1306-L1310 WeakPolarHBondContact O-CD1 3.17Å; V1306-L1310 WeakPolarHBondContact O-CG 3.12Å; V1306-L1310 PolarHBondContact O-N 3.1Å; Q1307-L1310 PolarHBondContact O-N 2.92Å; L1310-L1312 VanDerWaalsContact C-N 3.35Å; L1310-L1312 PolarHBondContact O-N 3.46Å; L1310-L1313 PolarHBondContact O-N 3.03Å; L1310-H1314 WeakPolarHBondContact O-CB 3.1Å; L1310-H1314 PolarHBondContact O-N 3.39Å; L1310-V1414 HydrophobicContact CD2-CB 4.43Å; L1310-V1414 HydrophobicContact CD2-CG1 3.79Å; L1310-V1414 HydrophobicContact CD2-CG2 4.26Å; L1310-F1417 HydrophobicContact CD2-CD1 4.37Å; L1310-L1418 HydrophobicContact CD1-CD2 4.39Å; L1310-H1430 WeakPolarHBondContact CB-CD2 3.14Å; L1310-H1430 WeakPolarHBondContact CB-NE2 3.38Å; L1310-H1430 HydrophobicContact CD1-CB 4.36Å |
| 1311 | A | 68 | Low | 63.8 | Low | 47 Ų | 47 | 60 Ų | 60 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1307 S1308 L1309 R1315 | Q1307-A1311 WeakPolarHBondContact O-CB 3.31Å; Q1307-A1311 PolarHBondContact O-N 3.34Å; S1308-A1311 PolarHBondContact O-N 3.31Å; L1309-A1311 VanDerWaalsContact C-N 3.32Å; L1309-A1311 PolarHBondContact O-N 2.93Å; A1311-R1315 WeakPolarHBondContact O-CB 3.06Å; A1311-R1315 PolarHBondContact O-N 2.94Å |
| 1312 | L | 68.2 | Low | 62.6 | Low | 48 Ų | 48 | 62.9 Ų | 62.9 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 176.1 | -166.5 | 164 | 0 | 0 | 0 | 111.3 | H1273 A1277 S1308 L1309 L1310 H1314 R1315 S1316 | H1273-L1312 HydrophobicContact CB-CD1 3.66Å; A1277-L1312 HydrophobicContact CB-CD1 4Å; A1277-L1312 HydrophobicContact CB-CD2 4.04Å; S1308-L1312 WeakPolarHBondContact O-CB 3.3Å; S1308-L1312 PolarHBondContact O-N 3.23Å; L1309-L1312 PolarHBondContact O-N 3.08Å; L1310-L1312 VanDerWaalsContact C-N 3.35Å; L1310-L1312 PolarHBondContact O-N 3.46Å; L1312-H1314 VanDerWaalsContact C-N 3.34Å; L1312-H1314 PolarHBondContact O-N 3.12Å; L1312-R1315 PolarHBondContact O-N 3.38Å; L1312-R1315 VanDerWaalsContact O-N 3.15Å; L1312-S1316 WeakPolarHBondContact O-CB 3.43Å; L1312-S1316 PolarHBondContact O-N 3.25Å |
| 1313 | L | 70.6 | Confident | 61.1 | Low | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 178.7 | -72.3 | 174.8 | 0 | 0 | 0 | 110.8 | I1280 P1290 L1294 L1309 L1310 R1315 S1316 S1317 V1414 | I1280-L1313 HydrophobicContact CD1-CD2 4.31Å; P1290-L1313 HydrophobicContact CB-CD1 3.9Å; P1290-L1313 HydrophobicContact CB-CD2 3.84Å; P1290-L1313 HydrophobicContact CG-CD2 4.18Å; L1294-L1313 HydrophobicContact CD1-CD1 4.01Å; L1294-L1313 HydrophobicContact CG-CD1 4.3Å; L1309-L1313 HydrophobicContact CD1-CD1 4.36Å; L1309-L1313 HydrophobicContact CD1-CG 4.17Å; L1309-L1313 HydrophobicContact CG-CD1 4.06Å; L1309-L1313 HydrophobicContact CG-CG 4.31Å; L1309-L1313 WeakPolarHBondContact O-CB 3.47Å; L1309-L1313 WeakPolarHBondContact O-CG 3.49Å; L1309-L1313 PolarHBondContact O-N 3.07Å; L1310-L1313 PolarHBondContact O-N 3.03Å; L1313-R1315 PolarHBondContact O-N 3.43Å; L1313-S1316 WeakPolarHBondContact CA-OG 3.29Å; L1313-S1316 PolarHBondContact O-N 3.28Å; L1313-S1316 VanDerWaalsContact O-N 3.16Å; L1313-S1316 PolarHBondContact O-OG 3.38Å; L1313-S1317 WeakPolarHBondContact O-CB 3.25Å; L1313-S1317 PolarHBondContact O-N 3.41Å; L1313-V1414 HydrophobicContact CB-CG2 3.91Å; L1313-V1414 HydrophobicContact CD1-CG2 4.38Å |
| 1314 | H | 66.3 | Low | 59.8 | Low | 56 Ų | 56 | 62.8 Ų | 62.8 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 175.7 | -172.4 | -107.6 | 0 | 0 | 0 | 112.5 | L1310 L1312 S1316 N1318 | L1310-H1314 WeakPolarHBondContact O-CB 3.1Å; L1310-H1314 PolarHBondContact O-N 3.39Å; L1312-H1314 VanDerWaalsContact C-N 3.34Å; L1312-H1314 PolarHBondContact O-N 3.12Å; H1314-S1316 VanDerWaalsContact C-N 3.35Å; H1314-N1318 PolarHBondContact CE1-ND2 3.26Å; H1314-N1318 PolarHBondContact ND1-ND2 3.02Å; H1314-N1318 PolarHBondContact NE2-ND2 2.97Å; H1314-N1318 WeakPolarHBondContact O-CB 3.39Å; H1314-N1318 PolarHBondContact O-N 2.87Å; H1314-N1318 PolarHBondContact O-ND2 3.4Å |
| 1315 | R | 64.8 | Low | 58.4 | Low | 202 Ų | 202 | 64.9 Ų | 64.9 | 76% | 0.762 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.6 | -37.8 | 174.1 | -171.3 | 177.1 | -176.5 | 173.2 | 2.7 | 112 | A1311 L1312 L1313 S1319 | A1311-R1315 WeakPolarHBondContact O-CB 3.06Å; A1311-R1315 PolarHBondContact O-N 2.94Å; L1312-R1315 PolarHBondContact O-N 3.38Å; L1312-R1315 VanDerWaalsContact O-N 3.15Å; L1313-R1315 PolarHBondContact O-N 3.43Å; R1315-S1319 VanDerWaalsContact O-CB 3.3Å; R1315-S1319 WeakPolarHBondContact O-CB 3.46Å; R1315-S1319 PolarHBondContact O-N 2.82Å |
| 1316 | S | 62.6 | Low | 56.6 | Low | 49 Ų | 49 | 68 Ų | 68 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 178.8 | 77 | 0 | 0 | 0 | 0 | 112.2 | L1312 L1313 H1314 S1319 L1320 | L1312-S1316 WeakPolarHBondContact O-CB 3.43Å; L1312-S1316 PolarHBondContact O-N 3.25Å; L1313-S1316 WeakPolarHBondContact CA-OG 3.29Å; L1313-S1316 PolarHBondContact O-N 3.28Å; L1313-S1316 VanDerWaalsContact O-N 3.16Å; L1313-S1316 PolarHBondContact O-OG 3.38Å; H1314-S1316 VanDerWaalsContact C-N 3.35Å; S1316-S1319 PolarHBondContact O-N 3.13Å; S1316-L1320 PolarHBondContact O-N 2.95Å |
| 1317 | S | 59.2 | Low | 54.9 | Low | 26 Ų | 26 | 73 Ų | 73 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 171.5 | 162.6 | 0 | 0 | 0 | 0 | 110.7 | L1313 S1319 L1320 N1321 D1412 | L1313-S1317 WeakPolarHBondContact O-CB 3.25Å; L1313-S1317 PolarHBondContact O-N 3.41Å; S1317-S1319 PolarHBondContact O-N 3.26Å; S1317-L1320 PolarHBondContact O-N 2.81Å; S1317-N1321 PolarHBondContact O-N 2.94Å; S1317-N1321 VanDerWaalsContact O-N 3.11Å; S1317-D1412 PolarHBondContact OG-OD2 3.15Å |
| 1318 | N | 52.4 | Low | 53.4 | Low | 73 Ų | 73 | 76 Ų | 76 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 178.3 | -76.4 | -50.4 | 0 | 0 | 0 | 113.9 | H1314 K1322 | H1314-N1318 PolarHBondContact CE1-ND2 3.26Å; H1314-N1318 PolarHBondContact ND1-ND2 3.02Å; H1314-N1318 PolarHBondContact NE2-ND2 2.97Å; H1314-N1318 WeakPolarHBondContact O-CB 3.39Å; H1314-N1318 PolarHBondContact O-N 2.87Å; H1314-N1318 PolarHBondContact O-ND2 3.4Å; N1318-K1322 WeakPolarHBondContact O-CB 3.47Å; N1318-K1322 PolarHBondContact O-N 2.93Å |
| 1319 | S | 51.7 | Low | 51.8 | Low | 72 Ų | 72 | 80.7 Ų | 80.7 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | R1315 S1316 S1317 N1321 K1322 T1323 | R1315-S1319 VanDerWaalsContact O-CB 3.3Å; R1315-S1319 WeakPolarHBondContact O-CB 3.46Å; R1315-S1319 PolarHBondContact O-N 2.82Å; S1316-S1319 PolarHBondContact O-N 3.13Å; S1317-S1319 PolarHBondContact O-N 3.26Å; S1319-N1321 VanDerWaalsContact C-N 3.32Å; S1319-N1321 PolarHBondContact O-N 3.15Å; S1319-K1322 PolarHBondContact O-N 3.18Å; S1319-T1323 PolarHBondContact O-N 2.95Å; S1319-T1323 PolarHBondContact O-OG1 3.05Å |
| 1320 | L | 38.9 | Very low | 49.8 | Very low | 116 Ų | 116 | 88 Ų | 88 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 179.9 | -150.9 | 75.8 | 0 | 0 | 0 | 110.7 | S1316 S1317 T1323 I1324 | S1316-L1320 PolarHBondContact O-N 2.95Å; S1317-L1320 PolarHBondContact O-N 2.81Å; L1320-T1323 WeakPolarHBondContact CA-OG1 3.3Å; L1320-T1323 PolarHBondContact O-N 3.48Å; L1320-T1323 PolarHBondContact O-OG1 3.42Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; L1320-I1324 PolarHBondContact O-N 3.41Å |
| 1321 | N | 42.9 | Very low | 47.8 | Very low | 72 Ų | 72 | 96 Ų | 96 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 175.6 | -70.7 | -20.8 | 0 | 0 | 0 | 113 | S1317 S1319 I1324 N1325 | S1317-N1321 PolarHBondContact O-N 2.94Å; S1317-N1321 VanDerWaalsContact O-N 3.11Å; S1319-N1321 VanDerWaalsContact C-N 3.32Å; S1319-N1321 PolarHBondContact O-N 3.15Å; N1321-I1324 PolarHBondContact O-N 2.87Å; N1321-N1325 PolarHBondContact O-N 2.76Å |
| 1322 | K | 43 | Very low | 45.8 | Very low | 155 Ų | 155 | 102.9 Ų | 102.9 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.2 | -40.9 | 173.9 | -102 | -178 | 178.4 | 176.4 | 0 | 112.4 | N1318 S1319 I1324 N1325 T1326 | N1318-K1322 WeakPolarHBondContact O-CB 3.47Å; N1318-K1322 PolarHBondContact O-N 2.93Å; S1319-K1322 PolarHBondContact O-N 3.18Å; K1322-I1324 VanDerWaalsContact C-N 3.28Å; K1322-I1324 PolarHBondContact O-N 3.13Å; K1322-N1325 PolarHBondContact O-N 3.23Å; K1322-N1325 VanDerWaalsContact O-N 3.12Å; K1322-T1326 PolarHBondContact O-N 2.74Å; K1322-T1326 PolarHBondContact O-OG1 3.31Å |
| 1323 | T | 40.8 | Very low | 44 | Very low | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.454 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -35.7 | 176.2 | 29.6 | 0 | 0 | 0 | 0 | 112.7 | S1319 L1320 N1325 T1327 | S1319-T1323 PolarHBondContact O-N 2.95Å; S1319-T1323 PolarHBondContact O-OG1 3.05Å; L1320-T1323 WeakPolarHBondContact CA-OG1 3.3Å; L1320-T1323 PolarHBondContact O-N 3.48Å; L1320-T1323 PolarHBondContact O-OG1 3.42Å; T1323-N1325 VanDerWaalsContact C-N 3.33Å; T1323-T1327 WeakPolarHBondContact O-CG2 3.45Å; T1323-T1327 PolarHBondContact O-N 3.23Å; T1323-T1327 PolarHBondContact O-OG1 3.06Å |
| 1324 | I | 38.8 | Very low | 42 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.6 | -33.5 | 176 | -65 | 167.5 | 0 | 0 | 0 | 111.3 | L1320 N1321 K1322 T1327 | L1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; L1320-I1324 PolarHBondContact O-N 3.41Å; N1321-I1324 PolarHBondContact O-N 2.87Å; K1322-I1324 VanDerWaalsContact C-N 3.28Å; K1322-I1324 PolarHBondContact O-N 3.13Å; I1324-T1327 PolarHBondContact O-OG1 3.48Å |
| 1325 | N | 38.5 | Very low | 40.2 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87 | -27.4 | -179.6 | -73.1 | -18.1 | 0 | 0 | 0 | 114.2 | N1321 K1322 T1323 | N1321-N1325 PolarHBondContact O-N 2.76Å; K1322-N1325 PolarHBondContact O-N 3.23Å; K1322-N1325 VanDerWaalsContact O-N 3.12Å; T1323-N1325 VanDerWaalsContact C-N 3.33Å |
| 1326 | T | 35.5 | Very low | 38.3 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -83.9 | -16.5 | 177.1 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | K1322 N1328 I1329 | K1322-T1326 PolarHBondContact O-N 2.74Å; K1322-T1326 PolarHBondContact O-OG1 3.31Å; T1326-N1328 PolarHBondContact O-N 3.14Å; T1326-N1328 VanDerWaalsContact O-N 3.13Å; T1326-I1329 PolarHBondContact O-N 3.23Å; T1326-I1329 VanDerWaalsContact O-N 3.16Å |
| 1327 | T | 33.2 | Very low | 36.6 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -8.8 | 172.4 | 42.5 | 0 | 0 | 0 | 0 | 114 | T1323 I1324 | T1323-T1327 WeakPolarHBondContact O-CG2 3.45Å; T1323-T1327 PolarHBondContact O-N 3.23Å; T1323-T1327 PolarHBondContact O-OG1 3.06Å; I1324-T1327 PolarHBondContact O-OG1 3.48Å |
| 1328 | N | 35.3 | Very low | 35 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -6.5 | 172.5 | -79.5 | -19.6 | 0 | 0 | 0 | 114.8 | T1326 | T1326-N1328 PolarHBondContact O-N 3.14Å; T1326-N1328 VanDerWaalsContact O-N 3.13Å |
| 1329 | I | 34.6 | Very low | 33.6 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -141.7 | 109.7 | -178.5 | -56.3 | 178.6 | 0 | 0 | 0 | 109.7 | T1326 | T1326-I1329 PolarHBondContact O-N 3.23Å; T1326-I1329 VanDerWaalsContact O-N 3.16Å |
| 1330 | L | 30.3 | Very low | 32.3 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | 90 | 70.6 | 171.1 | -57.9 | 161.2 | 0 | 0 | 0 | 117.3 | ||||
| 1331 | H | 27.4 | Very low | 31.7 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | trans | -60.1 | 137.5 | 142.8 | -142.2 | -92.7 | 0 | 0 | 0 | 108.7 | ||||
| 1332 | Y | 27.3 | Very low | 30.8 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 88.5 | 88.7 | 179.3 | -64.1 | -85.2 | 0 | 0 | 0 | 117.8 | ||||
| 1333 | T | 30.4 | Very low | 29.9 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | -163.4 | 97.3 | 131.5 | 17 | 0 | 0 | 0 | 0 | 110.3 | L1335 | T1333-L1335 PolarHBondContact O-N 3.06Š| ||
| 1334 | N | 29.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 16.2 | 92.7 | 157.6 | -63.2 | -18.6 | 0 | 0 | 0 | 119.5 | H1336 | N1334-H1336 PolarHBondContact O-N 3.49Š| ||
| 1335 | L | 26.6 | Very low | 28.3 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 100.7 | 142.4 | -95.5 | 96.2 | 0 | 0 | 0 | 108.2 | T1333 | T1333-L1335 PolarHBondContact O-N 3.06Š| ||
| 1336 | H | 26.3 | Very low | 27.7 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -170.8 | 85.8 | 157.1 | -93.9 | -60.4 | 0 | 0 | 0 | 109.5 | N1334 | N1334-H1336 PolarHBondContact O-N 3.49Š| ||
| 1337 | A | 26 | Very low | 27.2 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -177.3 | 68.6 | 155 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1338 | A | 26.2 | Very low | 26.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -153.2 | 59.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1339 | T | 23.3 | Very low | 26.2 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -138.1 | 124.9 | 160.9 | 36.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1340 | T | 24.5 | Very low | 25.8 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | 63.5 | 103.9 | 155.5 | 49.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1341 | T | 26.6 | Very low | 25.6 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -147 | 122.9 | 123.1 | 37.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1342 | K | 24 | Very low | 25.4 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -62.6 | 150.4 | 175.8 | -76.5 | 172.7 | 170.7 | 178 | 0 | 111.3 | ||||
| 1343 | A | 22.3 | Very low | 25.2 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -20.5 | 125.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1344 | T | 24.9 | Very low | 24.9 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -152.9 | 113.3 | 131.9 | 18.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1345 | T | 22.6 | Very low | 24.7 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -64 | 122.4 | 175.7 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1346 | H | 26.2 | Very low | 24.6 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -153.5 | 88.7 | 152.1 | -87.7 | -61.1 | 0 | 0 | 0 | 110.2 | ||||
| 1347 | T | 23.4 | Very low | 24.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | 28.9 | 126.8 | 130.7 | 53.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1348 | N | 23.5 | Very low | 24.5 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 79.2 | 129.6 | 135.4 | -69.9 | -3 | 0 | 0 | 0 | 117 | ||||
| 1349 | I | 25.3 | Very low | 24.5 | Very low | 144 Ų | 144 | 142 Ų | 142 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -170.7 | 155.5 | 35.4 | -107.1 | 151.4 | 0 | 0 | 0 | 110.4 | ||||
| 1350 | S | 26.6 | Very low | 24.5 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 69 | 99.5 | 153 | 64.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1351 | S | 24.4 | Very low | 24.6 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 27.1 | 121.3 | 110.5 | 67.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1352 | M | 24.1 | Very low | 24.4 | Very low | 149 Ų | 149 | 149 Ų | 149 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 150.5 | 124.7 | 107.2 | -88 | -150 | 113.9 | 0 | 0 | 114.3 | |||||
| 1353 | Q | 23.9 | Very low | 24.6 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | trans | 66.1 | 118.7 | 135.5 | -82.7 | 173.7 | -28.7 | 0 | 0 | 123.3 | ||||
| 1354 | Q | 22.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | 54.4 | 120.2 | 126.1 | -68.9 | -177.4 | -16 | 0 | 0 | 118.6 | |||||
| 1355 | V | 25.9 | Very low | 24.6 | Very low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | 175.8 | 144.5 | 87.9 | 164.4 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1356 | N | 23.1 | Very low | 24.7 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -24.7 | 139.5 | 163.9 | -71 | -20.1 | 0 | 0 | 0 | 116.1 | ||||
| 1357 | D | 26 | Very low | 24.5 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | -171.1 | 142.2 | 106.6 | -93.4 | -25.3 | 0 | 0 | 0 | 112.4 | |||||
| 1358 | N | 24.4 | Very low | 24.5 | Very low | 141 Ų | 141 | 151 Ų | 151 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -48.7 | 141.6 | 171.4 | -70.1 | -48.2 | 0 | 0 | 0 | 112 | ||||
| 1359 | Y | 26.4 | Very low | 24.5 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | -170.5 | 123.5 | 124.9 | -98.8 | -69.9 | 0 | 0 | 0 | 110.9 | |||||
| 1360 | H | 23.2 | Very low | 24.6 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | trans | -54.1 | 127.9 | 166.9 | -82 | -69.9 | 0 | 0 | 0 | 112.3 | ||||
| 1361 | H | 27.6 | Very low | 24.4 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -143.9 | 114.1 | 143.4 | -96.2 | -63.2 | 0 | 0 | 0 | 111.3 | ||||
| 1362 | K | 22.1 | Very low | 24.4 | Very low | 189 Ų | 189 | 153 Ų | 153 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130 | 167.6 | -72.5 | 172.9 | 172.8 | 175.5 | 0 | 110.4 | ||
| 1363 | P | 27.8 | Very low | 24.6 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 130.3 | 158 | 25.8 | -10.5 | 0 | 0 | 0 | 110.4 | ||
| 1364 | H | 24.9 | Very low | 24.6 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.7 | -180 | -89.4 | -93.7 | 0 | 0 | 0 | 113.2 | ||
| 1365 | S | 22.1 | Very low | 24.7 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -33.3 | 139.2 | 162.3 | 56.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1366 | F | 24.3 | Very low | 24.8 | Very low | 215 Ų | 215 | 153 Ų | 153 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | trans | -140.2 | 147.7 | 144.4 | -103.4 | -82.4 | 0 | 0 | 0 | 112.1 | ||||
| 1367 | M | 22.4 | Very low | 24.8 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | trans | -86.2 | 154.4 | -159.6 | -100.5 | -178 | 141.7 | 0 | 0 | 115.9 | ||||
| 1368 | N | 23.9 | Very low | 24.8 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 66% | 0.658 | 79% | 0.79 | S | S | * | * | trans | 80.6 | 115.4 | 132.1 | -71 | -2.4 | 0 | 0 | 0 | 123.6 | ||||
| 1369 | S | 22.4 | Very low | 24.8 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | 70.2 | 117.9 | 117.8 | 79.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1370 | S | 28.4 | Very low | 24.7 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -163.3 | 114.1 | 138.2 | 49.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1371 | H | 22.9 | Very low | 24.8 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | 65.5 | 108.6 | 64 | -91.7 | -64.8 | 0 | 0 | 0 | 116.6 | |||||
| 1372 | I | 24.7 | Very low | 24.6 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 113.6 | 136.2 | 136.1 | -57.6 | 157.4 | 0 | 0 | 0 | 118.5 | ||||
| 1373 | L | 26.9 | Very low | 24.7 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 93.4 | 135.7 | 160.4 | -84.4 | 128.3 | 0 | 0 | 0 | 118.8 | ||||
| 1374 | D | 24.7 | Very low | 24.6 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | cis | -169.5 | 137.5 | -37.4 | -150.2 | -1.4 | 0 | 0 | 0 | 106 | ||||
| 1375 | K | 24.9 | Very low | 24.6 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | 39.4 | 105.7 | 156 | -70.8 | 159.2 | -171.6 | 158.8 | 0 | 121.8 | ||||
| 1376 | S | 27.1 | Very low | 24.8 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -123.7 | 128.2 | 136.5 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | S1378 | S1376-S1378 PolarHBondContact O-N 2.83Š| ||
| 1377 | Q | 22.9 | Very low | 24.7 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 115.7 | -167.7 | -72.9 | 165.7 | -42.4 | 0 | 0 | 111.1 | I1379 | Q1377-I1379 PolarHBondContact O-N 2.57Š| ||
| 1378 | S | 26.6 | Very low | 24.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 117.4 | 167.4 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | S1376 L1380 | S1376-S1378 PolarHBondContact O-N 2.83Å; S1378-L1380 PolarHBondContact O-N 3.48Å | ||
| 1379 | I | 24.7 | Very low | 24.8 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 82% | 0.821 | 78% | 0.779 | S | S | * | * | trans | -58.2 | 124.8 | 169.3 | -67.9 | 166 | 0 | 0 | 0 | 107.8 | Q1377 D1381 | Q1377-I1379 PolarHBondContact O-N 2.57Å; I1379-D1381 PolarHBondContact O-N 2.53Å | ||
| 1380 | L | 25.3 | Very low | 24.9 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 111.2 | 179.7 | -83.5 | 148 | 0 | 0 | 0 | 110.2 | S1378 V1382 | S1378-L1380 PolarHBondContact O-N 3.48Å; L1380-V1382 PolarHBondContact O-N 3.37Å; L1380-V1382 VanDerWaalsContact O-N 3.13Å | ||
| 1381 | D | 23.5 | Very low | 24.8 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -59.3 | 105.8 | 160.2 | -71.7 | -41.9 | 0 | 0 | 0 | 109.1 | I1379 N1383 | I1379-D1381 PolarHBondContact O-N 2.53Å; D1381-N1383 PolarHBondContact O-N 3.42Å | ||
| 1382 | V | 24.4 | Very low | 24.9 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -73.1 | 95.9 | 168.3 | 175.4 | 0 | 0 | 0 | 0 | 107.1 | L1380 I1384 | L1380-V1382 PolarHBondContact O-N 3.37Å; L1380-V1382 VanDerWaalsContact O-N 3.13Å; V1382-I1384 PolarHBondContact O-N 3.2Å | ||
| 1383 | N | 24.7 | Very low | 24.9 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -49.4 | 103.6 | 166.5 | -91.6 | -34.8 | 0 | 0 | 0 | 110.3 | D1381 S1385 | D1381-N1383 PolarHBondContact O-N 3.42Å; N1383-S1385 VanDerWaalsContact C-N 3.3Å; N1383-S1385 PolarHBondContact O-N 3.29Å | ||
| 1384 | I | 26.1 | Very low | 24.9 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -68.5 | 93.7 | 163.6 | -62.4 | 171 | 0 | 0 | 0 | 106.1 | V1382 N1386 | V1382-I1384 PolarHBondContact O-N 3.2Å; I1384-N1386 PolarHBondContact O-N 2.9Å; I1384-N1386 VanDerWaalsContact O-N 3.13Å | ||
| 1385 | S | 23.9 | Very low | 24.9 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 102.9 | 170.3 | 40.3 | 0 | 0 | 0 | 0 | 108 | N1383 H1387 | N1383-S1385 VanDerWaalsContact C-N 3.3Å; N1383-S1385 PolarHBondContact O-N 3.29Å; S1385-H1387 PolarHBondContact O-N 2.9Å; S1385-H1387 VanDerWaalsContact O-N 3.11Å | ||
| 1386 | N | 25.5 | Very low | 24.9 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 113.6 | 165.2 | -74.9 | -20.9 | 0 | 0 | 0 | 108.8 | I1384 S1388 | I1384-N1386 PolarHBondContact O-N 2.9Å; I1384-N1386 VanDerWaalsContact O-N 3.13Å; N1386-S1388 PolarHBondContact O-N 2.99Å | ||
| 1387 | H | 23 | Very low | 24.9 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -66.6 | 79.2 | 165.6 | -86.6 | -72.3 | 0 | 0 | 0 | 109 | S1385 V1389 | S1385-H1387 PolarHBondContact O-N 2.9Å; S1385-H1387 VanDerWaalsContact O-N 3.11Å; H1387-V1389 PolarHBondContact O-N 2.99Å | ||
| 1388 | S | 24.7 | Very low | 24.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 115.5 | 161.1 | 51.3 | 0 | 0 | 0 | 0 | 108 | N1386 P1390 | N1386-S1388 PolarHBondContact O-N 2.99Å; S1388-P1390 WeakPolarHBondContact O-CD 3.49Å | ||
| 1389 | V | 24.4 | Very low | 24.9 | Very low | 129 Ų | 129 | 144 Ų | 144 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -59.8 | 120.8 | 174 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | H1387 L1391 | H1387-V1389 PolarHBondContact O-N 2.99Å; V1389-L1391 PolarHBondContact O-N 3.22Å | ||
| 1390 | P | 23.9 | Very low | 24.8 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 118.2 | -172 | 27 | -30.8 | 0 | 0 | 0 | 110.6 | S1388 T1392 | S1388-P1390 WeakPolarHBondContact O-CD 3.49Å; P1390-T1392 PolarHBondContact O-N 2.97Å | ||
| 1391 | L | 26.1 | Very low | 24.9 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -58.7 | 107.3 | 167.2 | -84.5 | 88.4 | 0 | 0 | 0 | 109.5 | V1389 K1393 | V1389-L1391 PolarHBondContact O-N 3.22Å; L1391-K1393 PolarHBondContact O-N 3.4Å | ||
| 1392 | T | 25.7 | Very low | 24.8 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -69.2 | 119.5 | 174.1 | 43.1 | 0 | 0 | 0 | 0 | 110.8 | P1390 A1394 | P1390-T1392 PolarHBondContact O-N 2.97Å; T1392-A1394 PolarHBondContact O-N 3.18Å | ||
| 1393 | K | 24.5 | Very low | 24.9 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -47.2 | 109 | 174.6 | -69.2 | 170.7 | 175.3 | 175.5 | 0 | 112.2 | L1391 | L1391-K1393 PolarHBondContact O-N 3.4Š| ||
| 1394 | A | 25.6 | Very low | 24.8 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -74.7 | 128.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1392 | T1392-A1394 PolarHBondContact O-N 3.18Š| ||
| 1395 | T | 25.5 | Very low | 24.7 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -78.1 | 126.4 | -170.8 | 40.8 | 0 | 0 | 0 | 0 | 113.3 | V1397 | T1395-V1397 PolarHBondContact O-N 3.44Š| ||
| 1396 | N | 24.2 | Very low | 24.9 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -7.5 | 107 | 154.7 | -71.2 | -25 | 0 | 0 | 0 | 117.2 | ||||
| 1397 | V | 27.7 | Very low | 24.9 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -107.2 | 92.8 | 146.3 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | T1395 K1399 | T1395-V1397 PolarHBondContact O-N 3.44Å; V1397-K1399 PolarHBondContact O-N 3.43Å | ||
| 1398 | N | 23.8 | Very low | 25.3 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 114.1 | 173.5 | -74.3 | -32.2 | 0 | 0 | 0 | 110.5 | ||||
| 1399 | K | 25.8 | Very low | 25.9 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -145.9 | 107.5 | 143.7 | -104.5 | 175.7 | -172.6 | 178 | 0 | 109.2 | V1397 | V1397-K1399 PolarHBondContact O-N 3.43Š| ||
| 1400 | S | 22.7 | Very low | 26.4 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -43.5 | 132.7 | 172.8 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1401 | I | 26.3 | Very low | 27.4 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | -150.4 | 119.8 | 124.1 | -83.5 | 130.3 | 0 | 0 | 0 | 106.2 | H1403 | I1401-H1403 PolarHBondContact O-N 3.38Š| |||
| 1402 | H | 23.1 | Very low | 28.8 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -64.2 | 105.1 | 177.6 | -79.7 | -93.5 | 0 | 0 | 0 | 111 | ||||
| 1403 | H | 25.2 | Very low | 30.3 | Very low | 165 Ų | 165 | 137 Ų | 137 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | -125.7 | 111.2 | 147.4 | -87.3 | -72.9 | 0 | 0 | 0 | 107.1 | I1401 L1405 | I1401-H1403 PolarHBondContact O-N 3.38Å; H1403-L1405 VanDerWaalsContact C-N 3.32Å; H1403-L1405 PolarHBondContact O-N 2.78Å | ||
| 1404 | K | 24.2 | Very low | 31.9 | Very low | 203 Ų | 203 | 127.7 Ų | 127.7 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | -61.5 | 93.8 | 171.5 | -73.3 | 175.9 | 173.7 | 179.5 | 0 | 107.8 | ||||
| 1405 | L | 23.1 | Very low | 33.6 | Very low | 151 Ų | 151 | 127 Ų | 127 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -74.3 | 126.2 | 156.3 | -98 | 84.7 | 0 | 0 | 0 | 106.9 | H1403 | H1403-L1405 VanDerWaalsContact C-N 3.32Å; H1403-L1405 PolarHBondContact O-N 2.78Å | ||
| 1406 | P | 27.4 | Very low | 35.3 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | trans | -69.2 | 134.8 | 173.1 | 28.6 | -29.1 | 0 | 0 | 0 | 109.2 | D1408 | P1406-D1408 PolarHBondContact O-N 3.19Å; P1406-D1408 VanDerWaalsContact O-N 3.1Å | ||
| 1407 | D | 26.8 | Very low | 37 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 86% | 0.856 | 63% | 0.627 | S | S | * | * | trans | -58.8 | 106.7 | 179.7 | -73.1 | -50.2 | 0 | 0 | 0 | 111.7 | N1409 | D1407-N1409 PolarHBondContact O-N 3.26Š| ||
| 1408 | D | 30.7 | Very low | 38.5 | Very low | 131 Ų | 131 | 115.3 Ų | 115.3 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | trans | -81.5 | 34.4 | -175.3 | -153.6 | 14.6 | 0 | 0 | 0 | 113.8 | P1406 N1411 | P1406-D1408 PolarHBondContact O-N 3.19Å; P1406-D1408 VanDerWaalsContact O-N 3.1Å; D1408-N1411 PolarHBondContact O-ND2 3.45Å; D1408-N1411 VanDerWaalsContact O-ND2 3.15Å | ||
| 1409 | N | 36.5 | Very low | 40.2 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 79% | 0.791 | 59% | 0.585 | S | S | * | * | trans | -105.4 | 7.7 | -173.4 | -92.5 | -14.3 | 0 | 0 | 0 | 115.6 | D1407 | D1407-N1409 PolarHBondContact O-N 3.26Š| ||
| 1410 | N | 35.3 | Very low | 41.8 | Very low | 148 Ų | 148 | 111.1 Ų | 111.1 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | trans | -107.5 | 64.3 | 168.3 | -84.1 | -8.3 | 0 | 0 | 0 | 110.5 | D1412 | N1410-D1412 PolarHBondContact O-N 2.86Å; N1410-D1412 VanDerWaalsContact O-N 3.12Å | ||
| 1411 | N | 44.7 | Very low | 43.4 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | trans | -77 | 92.5 | 176.6 | -81.1 | -63.1 | 0 | 0 | 0 | 110.3 | D1408 P1413 | D1408-N1411 PolarHBondContact O-ND2 3.45Å; D1408-N1411 VanDerWaalsContact O-ND2 3.15Å; N1411-P1413 WeakPolarHBondContact O-CD 3.02Å | ||
| 1412 | D | 56.7 | Low | 44.9 | Very low | 43 Ų | 43 | 112.7 Ų | 112.7 | 23% | 0.23 | 56% | 0.557 | C | S | . | * | trans | -66.7 | 119.3 | 174.1 | -147.3 | -29.8 | 0 | 0 | 0 | 108.7 | S1317 N1410 V1414 E1415 | S1317-D1412 PolarHBondContact OG-OD2 3.15Å; N1410-D1412 PolarHBondContact O-N 2.86Å; N1410-D1412 VanDerWaalsContact O-N 3.12Å; D1412-V1414 PolarHBondContact O-N 3.46Å; D1412-E1415 PolarHBondContact O-N 3.29Å | ||
| 1413 | P | 57.3 | Low | 46.7 | Very low | 39 Ų | 39 | 104.5 Ų | 104.5 | 25% | 0.253 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -51 | -30.2 | -178.3 | 15.7 | -30.9 | 0 | 0 | 0 | 113.6 | D1291 N1411 E1415 K1416 F1417 | D1291-P1413 WeakPolarHBondContact OD1-CB 3.25Å; N1411-P1413 WeakPolarHBondContact O-CD 3.02Å; P1413-E1415 PolarHBondContact O-N 2.65Å; P1413-K1416 PolarHBondContact O-N 3.23Å; P1413-F1417 PolarHBondContact O-N 3.46Å; P1413-F1417 VanDerWaalsContact O-N 3.15Å |
| 1414 | V | 58.2 | Low | 48.4 | Very low | 8 Ų | 8 | 98.1 Ų | 98.1 | 5% | 0.048 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60 | -43 | 176.9 | 175 | 0 | 0 | 0 | 0 | 112.4 | L1310 L1313 D1412 F1417 L1418 | L1310-V1414 HydrophobicContact CD2-CB 4.43Å; L1310-V1414 HydrophobicContact CD2-CG1 3.79Å; L1310-V1414 HydrophobicContact CD2-CG2 4.26Å; L1313-V1414 HydrophobicContact CB-CG2 3.91Å; L1313-V1414 HydrophobicContact CD1-CG2 4.38Å; D1412-V1414 PolarHBondContact O-N 3.46Å; V1414-F1417 PolarHBondContact O-N 3.06Å; V1414-L1418 HydrophobicContact CG1-CD1 3.73Å; V1414-L1418 HydrophobicContact CG1-CG 4.4Å; V1414-L1418 VanDerWaalsContact O-CG 3.25Å; V1414-L1418 WeakPolarHBondContact O-CG 3.45Å; V1414-L1418 PolarHBondContact O-N 3.22Å; V1414-L1418 VanDerWaalsContact O-N 3.09Å |
| 1415 | E | 60.4 | Low | 50.3 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | -176.7 | -167.3 | 158.5 | -143.2 | 0 | 0 | 111 | D1412 P1413 F1417 L1418 H1419 K1439 | D1412-E1415 PolarHBondContact O-N 3.29Å; P1413-E1415 PolarHBondContact O-N 2.65Å; E1415-F1417 PolarHBondContact O-N 3.31Å; E1415-L1418 PolarHBondContact O-N 3.14Å; E1415-H1419 PolarHBondContact O-CD2 3.12Å; E1415-H1419 PolarHBondContact O-N 3.5Å; E1415-K1439 IonicContact OE1-NZ 3.6Å; E1415-K1439 PolarHBondContact OE1-NZ 3.41Å |
| 1416 | K | 61 | Low | 52.1 | Low | 137 Ų | 137 | 87.1 Ų | 87.1 | 60% | 0.596 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 172.9 | -87.9 | -176.2 | 179 | 173.3 | 0 | 113.1 | P1413 | P1413-K1416 PolarHBondContact O-N 3.23Å |
| 1417 | F | 59.9 | Low | 54 | Low | 9 Ų | 9 | 81.5 Ų | 81.5 | 4% | 0.039 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 179.4 | -173.7 | -102.4 | 0 | 0 | 0 | 111.8 | L1294 L1298 V1306 L1310 P1413 V1414 E1415 H1419 R1420 V1423 | L1294-F1417 HydrophobicContact CB-CD1 4.34Å; L1294-F1417 HydrophobicContact CB-CD2 3.99Å; L1294-F1417 HydrophobicContact CB-CE1 4.12Å; L1294-F1417 HydrophobicContact CB-CE2 3.78Å; L1294-F1417 HydrophobicContact CB-CG 4.28Å; L1294-F1417 HydrophobicContact CB-CZ 3.84Å; L1294-F1417 HydrophobicContact CD1-CB 4.2Å; L1294-F1417 HydrophobicContact CD1-CD1 4.13Å; L1294-F1417 HydrophobicContact CD1-CD2 4.43Å; L1294-F1417 HydrophobicContact CD1-CG 4.01Å; L1294-F1417 HydrophobicContact CD2-CE1 4.47Å; L1298-F1417 HydrophobicContact CB-CZ 4.33Å; L1298-F1417 HydrophobicContact CD2-CE2 4.46Å; L1298-F1417 HydrophobicContact CD2-CZ 4.01Å; V1306-F1417 HydrophobicContact CG1-CE1 4.27Å; L1310-F1417 HydrophobicContact CD2-CD1 4.37Å; P1413-F1417 PolarHBondContact O-N 3.46Å; P1413-F1417 VanDerWaalsContact O-N 3.15Å; V1414-F1417 PolarHBondContact O-N 3.06Å; E1415-F1417 PolarHBondContact O-N 3.31Å; F1417-H1419 VanDerWaalsContact C-N 3.32Å; F1417-H1419 PolarHBondContact O-N 3.33Å; F1417-R1420 PolarHBondContact O-N 3.12Å; F1417-V1423 HydrophobicContact CD1-CG1 4.13Å; F1417-V1423 HydrophobicContact CE1-CG1 3.56Å; F1417-V1423 HydrophobicContact CZ-CG1 3.95Å; F1417-V1423 HydrophobicContact CZ-CG2 4.33Å |
| 1418 | L | 60.1 | Low | 56.1 | Low | 21 Ų | 21 | 76.6 Ų | 76.6 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.6 | -25.1 | -178.2 | -66.8 | 168.9 | 0 | 0 | 0 | 113.7 | L1310 V1414 E1415 R1420 A1427 H1430 | L1310-L1418 HydrophobicContact CD1-CD2 4.39Å; V1414-L1418 HydrophobicContact CG1-CD1 3.73Å; V1414-L1418 HydrophobicContact CG1-CG 4.4Å; V1414-L1418 VanDerWaalsContact O-CG 3.25Å; V1414-L1418 WeakPolarHBondContact O-CG 3.45Å; V1414-L1418 PolarHBondContact O-N 3.22Å; V1414-L1418 VanDerWaalsContact O-N 3.09Å; E1415-L1418 PolarHBondContact O-N 3.14Å; L1418-R1420 VanDerWaalsContact C-N 3.34Å; L1418-A1427 HydrophobicContact CB-CB 4.42Å; L1418-A1427 HydrophobicContact CD2-CB 4.02Å; L1418-H1430 HydrophobicContact CD2-CB 4.39Å |
| 1419 | H | 58.9 | Low | 58.1 | Low | 134 Ų | 134 | 71.7 Ų | 71.7 | 62% | 0.62 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.7 | 177.9 | -79.1 | -60.3 | 0 | 0 | 0 | 114.9 | E1415 F1417 | E1415-H1419 PolarHBondContact O-CD2 3.12Å; E1415-H1419 PolarHBondContact O-N 3.5Å; F1417-H1419 VanDerWaalsContact C-N 3.32Å; F1417-H1419 PolarHBondContact O-N 3.33Å |
| 1420 | R | 58.8 | Low | 59.5 | Low | 114 Ų | 114 | 64.8 Ų | 64.8 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.9 | 136.2 | 178.7 | -65.3 | 176.7 | 77.3 | 166.9 | 5 | 111.2 | F1417 L1418 D1422 V1423 Q1424 | F1417-R1420 PolarHBondContact O-N 3.12Å; L1418-R1420 VanDerWaalsContact C-N 3.34Å; R1420-D1422 VanDerWaalsContact C-N 3.27Å; R1420-D1422 WeakPolarHBondContact CB-OD1 3.22Å; R1420-D1422 IonicContact NE-OD1 3.35Å; R1420-D1422 PolarHBondContact O-N 3.27Å; R1420-V1423 HydrophobicContact CB-CG2 3.99Å; R1420-V1423 PolarHBondContact O-N 3.48Å; R1420-Q1424 PolarHBondContact O-N 3.48Å |
| 1421 | K | 57 | Low | 61.2 | Low | 190 Ų | 190 | 58 Ų | 58 | 83% | 0.826 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.9 | -173.8 | -70.6 | -174.8 | 177.8 | -177.9 | 0 | 113.8 | V1423 | K1421-V1423 VanDerWaalsContact C-N 3.26Å; K1421-V1423 PolarHBondContact O-N 2.87Å |
| 1422 | D | 57.8 | Low | 62.4 | Low | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.5 | 176.6 | 53.2 | -40 | 0 | 0 | 0 | 113.4 | R1420 | R1420-D1422 VanDerWaalsContact C-N 3.27Å; R1420-D1422 WeakPolarHBondContact CB-OD1 3.22Å; R1420-D1422 IonicContact NE-OD1 3.35Å; R1420-D1422 PolarHBondContact O-N 3.27Å |
| 1423 | V | 60 | Low | 62.8 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -5.4 | -173.1 | -155.1 | 0 | 0 | 0 | 0 | 112.9 | L1298 F1417 R1420 K1421 N1425 Y1426 A1427 | L1298-V1423 HydrophobicContact CD2-CG1 4.48Å; L1298-V1423 HydrophobicContact CD2-CG2 3.87Å; F1417-V1423 HydrophobicContact CD1-CG1 4.13Å; F1417-V1423 HydrophobicContact CE1-CG1 3.56Å; F1417-V1423 HydrophobicContact CZ-CG1 3.95Å; F1417-V1423 HydrophobicContact CZ-CG2 4.33Å; R1420-V1423 HydrophobicContact CB-CG2 3.99Å; R1420-V1423 PolarHBondContact O-N 3.48Å; K1421-V1423 VanDerWaalsContact C-N 3.26Å; K1421-V1423 PolarHBondContact O-N 2.87Å; V1423-N1425 PolarHBondContact O-N 3.47Å; V1423-N1425 VanDerWaalsContact O-N 3.11Å; V1423-Y1426 HydrophobicContact CG1-CD2 3.88Å; V1423-Y1426 HydrophobicContact CG1-CG 4.49Å; V1423-Y1426 WeakPolarHBondContact O-CA 3.22Å; V1423-Y1426 WeakPolarHBondContact O-CB 3.28Å; V1423-Y1426 PolarHBondContact O-N 3.22Å; V1423-A1427 PolarHBondContact O-N 3.21Å |
| 1424 | Q | 61.9 | Low | 63.3 | Low | 31 Ų | 31 | 57.9 Ų | 57.9 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.4 | -34.4 | -179.6 | -82.8 | -170.3 | -32.7 | 0 | 0 | 113.1 | R1420 Y1426 A1427 I1443 E1446 | R1420-Q1424 PolarHBondContact O-N 3.48Å; Q1424-Y1426 PolarHBondContact O-N 2.87Å; Q1424-Y1426 VanDerWaalsContact O-N 3.16Å; Q1424-A1427 WeakPolarHBondContact O-CB 3.46Å; Q1424-A1427 PolarHBondContact O-N 3.12Å; Q1424-I1443 HydrophobicContact CB-CG2 4.41Å; Q1424-E1446 PolarHBondContact NE2-OE2 3.44Å |
| 1425 | N | 63.9 | Low | 64 | Low | 63 Ų | 63 | 59.3 Ų | 59.3 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -22.3 | 175 | -88.5 | -47.3 | 0 | 0 | 0 | 114 | V1423 W1428 E1447 | V1423-N1425 PolarHBondContact O-N 3.47Å; V1423-N1425 VanDerWaalsContact O-N 3.11Å; N1425-W1428 PolarHBondContact O-NE1 3.34Å; N1425-W1428 VanDerWaalsContact O-NE1 3.17Å; N1425-E1447 PolarHBondContact ND2-OE1 3.29Å; N1425-E1447 WeakPolarHBondContact OD1-CG 3.47Å; N1425-E1447 PolarHBondContact OD1-OE1 3.33Å |
| 1426 | Y | 61.4 | Low | 64.6 | Low | 59 Ų | 59 | 58.2 Ų | 58.2 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -102.8 | -8 | 176.4 | -51.6 | -74 | 0 | 0 | 0 | 113.1 | L1298 R1303 V1423 Q1424 P1429 | L1298-Y1426 HydrophobicContact CD1-CD2 4.01Å; L1298-Y1426 HydrophobicContact CD1-CE2 3.73Å; R1303-Y1426 HydrophobicContact CG-CE1 3.85Å; V1423-Y1426 HydrophobicContact CG1-CD2 3.88Å; V1423-Y1426 HydrophobicContact CG1-CG 4.49Å; V1423-Y1426 WeakPolarHBondContact O-CA 3.22Å; V1423-Y1426 WeakPolarHBondContact O-CB 3.28Å; V1423-Y1426 PolarHBondContact O-N 3.22Å; Q1424-Y1426 PolarHBondContact O-N 2.87Å; Q1424-Y1426 VanDerWaalsContact O-N 3.16Å; Y1426-P1429 VanDerWaalsContact C-CD 3.49Å; Y1426-P1429 WeakPolarHBondContact O-CD 3.33Å |
| 1427 | A | 67.3 | Low | 65.5 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.4 | -47.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1418 V1423 Q1424 H1430 L1431 I1443 | L1418-A1427 HydrophobicContact CB-CB 4.42Å; L1418-A1427 HydrophobicContact CD2-CB 4.02Å; V1423-A1427 PolarHBondContact O-N 3.21Å; Q1424-A1427 WeakPolarHBondContact O-CB 3.46Å; Q1424-A1427 PolarHBondContact O-N 3.12Å; A1427-H1430 PolarHBondContact O-N 3.07Å; A1427-L1431 HydrophobicContact CB-CD1 4.37Å; A1427-L1431 WeakPolarHBondContact O-CB 3.25Å; A1427-L1431 WeakPolarHBondContact O-CD1 3.36Å; A1427-L1431 WeakPolarHBondContact O-CG 3.49Å; A1427-L1431 PolarHBondContact O-N 3.4Å; A1427-I1443 HydrophobicContact CB-CD1 3.7Å |
| 1428 | W | 71.5 | Confident | 66.4 | Low | 57 Ų | 57 | 60.6 Ų | 60.6 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | -177 | 69.8 | -94.2 | 0 | 0 | 0 | 114.2 | N1425 H1430 L1431 L1432 A1440 I1443 L1444 L1464 | N1425-W1428 PolarHBondContact O-NE1 3.34Å; N1425-W1428 VanDerWaalsContact O-NE1 3.17Å; W1428-H1430 PolarHBondContact O-N 3.42Å; W1428-L1431 PolarHBondContact O-N 3.14Å; W1428-L1432 HydrophobicContact CE3-CD1 3.52Å; W1428-L1432 HydrophobicContact CE3-CG 4.46Å; W1428-L1432 HydrophobicContact CZ3-CD1 3.64Å; W1428-L1432 WeakPolarHBondContact O-CB 3.47Å; W1428-L1432 VanDerWaalsContact O-CG 3.29Å; W1428-L1432 WeakPolarHBondContact O-CG 3.35Å; W1428-L1432 PolarHBondContact O-N 2.68Å; W1428-A1440 HydrophobicContact CB-CB 4.45Å; W1428-I1443 HydrophobicContact CB-CB 4.48Å; W1428-I1443 HydrophobicContact CB-CG2 4.23Å; W1428-L1444 HydrophobicContact CB-CD1 4.38Å; W1428-L1444 HydrophobicContact CB-CD2 4.21Å; W1428-L1444 HydrophobicContact CB-CG 3.83Å; W1428-L1444 HydrophobicContact CD2-CD1 4.45Å; W1428-L1444 HydrophobicContact CD2-CD2 3.49Å; W1428-L1444 VanDerWaalsContact CD2-CD2 3.49Å; W1428-L1444 HydrophobicContact CD2-CG 4.04Å; W1428-L1444 HydrophobicContact CE3-CD1 4.25Å; W1428-L1444 HydrophobicContact CE3-CD2 3.91Å; W1428-L1444 HydrophobicContact CE3-CG 4.34Å; W1428-L1444 HydrophobicContact CG-CD2 3.6Å; W1428-L1444 HydrophobicContact CG-CG 3.8Å; W1428-L1444 HydrophobicContact CZ2-CD2 4.48Å; W1428-L1464 HydrophobicContact CE3-CD2 3.82Å; W1428-L1464 HydrophobicContact CH2-CD2 3.87Å; W1428-L1464 HydrophobicContact CZ3-CD2 3.39Å |
| 1429 | P | 71.2 | Confident | 67.1 | Low | 28 Ų | 28 | 63.9 Ų | 63.9 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -37.4 | 175.1 | -18 | 32.8 | 0 | 0 | 0 | 112.1 | Y1426 L1432 S1433 | Y1426-P1429 VanDerWaalsContact C-CD 3.49Å; Y1426-P1429 WeakPolarHBondContact O-CD 3.33Å; P1429-L1432 WeakPolarHBondContact O-CB 3.24Å; P1429-L1432 PolarHBondContact O-N 2.82Å; P1429-S1433 PolarHBondContact O-N 3.43Å |
| 1430 | H | 67.1 | Low | 68.2 | Low | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 175.4 | 173.5 | -95.5 | 0 | 0 | 0 | 111.2 | L1310 L1418 A1427 W1428 L1432 S1433 T1434 | L1310-H1430 WeakPolarHBondContact CB-CD2 3.14Å; L1310-H1430 WeakPolarHBondContact CB-NE2 3.38Å; L1310-H1430 HydrophobicContact CD1-CB 4.36Å; L1418-H1430 HydrophobicContact CD2-CB 4.39Å; A1427-H1430 PolarHBondContact O-N 3.07Å; W1428-H1430 PolarHBondContact O-N 3.42Å; H1430-L1432 VanDerWaalsContact C-N 3.29Å; H1430-L1432 PolarHBondContact O-N 3.37Å; H1430-S1433 PolarHBondContact O-N 2.81Å; H1430-S1433 VanDerWaalsContact O-N 3.13Å; H1430-S1433 PolarHBondContact O-OG 2.73Å; H1430-T1434 WeakPolarHBondContact NE2-CG2 3.4Å; H1430-T1434 WeakPolarHBondContact O-CG2 3.14Å; H1430-T1434 PolarHBondContact O-N 3.37Å; H1430-T1434 PolarHBondContact O-OG1 3.49Å |
| 1431 | L | 70.3 | Confident | 69.3 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.6 | -68.8 | 167.3 | 0 | 0 | 0 | 111.7 | A1427 W1428 T1434 G1435 Q1436 K1439 A1440 I1443 | A1427-L1431 HydrophobicContact CB-CD1 4.37Å; A1427-L1431 WeakPolarHBondContact O-CB 3.25Å; A1427-L1431 WeakPolarHBondContact O-CD1 3.36Å; A1427-L1431 WeakPolarHBondContact O-CG 3.49Å; A1427-L1431 PolarHBondContact O-N 3.4Å; W1428-L1431 PolarHBondContact O-N 3.14Å; L1431-T1434 WeakPolarHBondContact CA-OG1 3.4Å; L1431-T1434 PolarHBondContact O-N 2.93Å; L1431-T1434 PolarHBondContact O-OG1 3.12Å; L1431-G1435 PolarHBondContact O-N 3.02Å; L1431-G1435 VanDerWaalsContact O-N 3.17Å; L1431-Q1436 HydrophobicContact CB-CB 4.3Å; L1431-Q1436 HydrophobicContact CD2-CB 3.82Å; L1431-Q1436 HydrophobicContact CD2-CG 4.42Å; L1431-Q1436 VanDerWaalsContact CD2-OE1 3.27Å; L1431-Q1436 PolarHBondContact O-N 2.89Å; L1431-K1439 HydrophobicContact CD1-CB 3.81Å; L1431-K1439 HydrophobicContact CD2-CB 4.16Å; L1431-K1439 HydrophobicContact CD2-CD 4.37Å; L1431-A1440 HydrophobicContact CB-CB 3.85Å; L1431-I1443 HydrophobicContact CD1-CD1 3.56Å |
| 1432 | L | 69.9 | Low | 70.5 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -49.3 | 170.1 | -78.6 | 175 | 0 | 0 | 0 | 112.1 | W1428 P1429 H1430 T1434 G1435 Y1437 A1440 T1468 | W1428-L1432 HydrophobicContact CE3-CD1 3.52Å; W1428-L1432 HydrophobicContact CE3-CG 4.46Å; W1428-L1432 HydrophobicContact CZ3-CD1 3.64Å; W1428-L1432 WeakPolarHBondContact O-CB 3.47Å; W1428-L1432 VanDerWaalsContact O-CG 3.29Å; W1428-L1432 WeakPolarHBondContact O-CG 3.35Å; W1428-L1432 PolarHBondContact O-N 2.68Å; P1429-L1432 WeakPolarHBondContact O-CB 3.24Å; P1429-L1432 PolarHBondContact O-N 2.82Å; H1430-L1432 VanDerWaalsContact C-N 3.29Å; H1430-L1432 PolarHBondContact O-N 3.37Å; L1432-T1434 PolarHBondContact O-N 2.87Å; L1432-G1435 PolarHBondContact O-N 2.83Å; L1432-G1435 VanDerWaalsContact O-N 3.14Å; L1432-Y1437 HydrophobicContact CD2-CD1 3.72Å; L1432-Y1437 HydrophobicContact CD2-CE1 4.06Å; L1432-A1440 HydrophobicContact CD2-CB 4.35Å; L1432-A1440 HydrophobicContact CG-CB 4.22Å; L1432-T1468 HydrophobicContact CD1-CG2 4.47Å; L1432-T1468 HydrophobicContact CD2-CG2 3.34Å; L1432-T1468 HydrophobicContact CG-CG2 4.28Å |
| 1433 | S | 65.9 | Low | 71.5 | Confident | 84 Ų | 84 | 42.6 Ų | 42.6 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.7 | -26.7 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | P1429 H1430 | P1429-S1433 PolarHBondContact O-N 3.43Å; H1430-S1433 PolarHBondContact O-N 2.81Å; H1430-S1433 VanDerWaalsContact O-N 3.13Å; H1430-S1433 PolarHBondContact O-OG 2.73Å |
| 1434 | T | 67.1 | Low | 72.6 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.3 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | H1430 L1431 L1432 Q1436 | H1430-T1434 WeakPolarHBondContact NE2-CG2 3.4Å; H1430-T1434 WeakPolarHBondContact O-CG2 3.14Å; H1430-T1434 PolarHBondContact O-N 3.37Å; H1430-T1434 PolarHBondContact O-OG1 3.49Å; L1431-T1434 WeakPolarHBondContact CA-OG1 3.4Å; L1431-T1434 PolarHBondContact O-N 2.93Å; L1431-T1434 PolarHBondContact O-OG1 3.12Å; L1432-T1434 PolarHBondContact O-N 2.87Å; T1434-Q1436 VanDerWaalsContact C-N 3.3Å; T1434-Q1436 PolarHBondContact O-N 2.97Å |
| 1435 | G | 72.2 | Confident | 73.6 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 11 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1431 L1432 Y1437 | L1431-G1435 PolarHBondContact O-N 3.02Å; L1431-G1435 VanDerWaalsContact O-N 3.17Å; L1432-G1435 PolarHBondContact O-N 2.83Å; L1432-G1435 VanDerWaalsContact O-N 3.14Å; G1435-Y1437 VanDerWaalsContact C-N 3.28Å; G1435-Y1437 VanDerWaalsContact O-CD2 3.23Å; G1435-Y1437 WeakPolarHBondContact O-CD2 3.37Å; G1435-Y1437 PolarHBondContact O-N 3.41Å; G1435-Y1437 VanDerWaalsContact O-N 3.12Å |
| 1436 | Q | 74.3 | Confident | 74.5 | Confident | 67 Ų | 67 | 43.4 Ų | 43.4 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | trans | -86.9 | 63.9 | 177.4 | -61.9 | -172.3 | 21.2 | 0 | 0 | 111 | L1431 T1434 E1438 A1440 | L1431-Q1436 HydrophobicContact CB-CB 4.3Å; L1431-Q1436 HydrophobicContact CD2-CB 3.82Å; L1431-Q1436 HydrophobicContact CD2-CG 4.42Å; L1431-Q1436 VanDerWaalsContact CD2-OE1 3.27Å; L1431-Q1436 PolarHBondContact O-N 2.89Å; T1434-Q1436 VanDerWaalsContact C-N 3.3Å; T1434-Q1436 PolarHBondContact O-N 2.97Å; Q1436-E1438 VanDerWaalsContact C-N 3.27Å; Q1436-E1438 PolarHBondContact O-N 2.7Å; Q1436-A1440 PolarHBondContact O-N 3.46Å | ||
| 1437 | Y | 79.6 | Confident | 75.4 | Confident | 65 Ų | 65 | 42 Ų | 42 | 26% | 0.255 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.5 | -27.9 | -171.8 | -55.1 | -72 | 0 | 0 | 0 | 114.1 | L1432 G1435 A1440 S1441 T1468 T1472 H1475 | L1432-Y1437 HydrophobicContact CD2-CD1 3.72Å; L1432-Y1437 HydrophobicContact CD2-CE1 4.06Å; G1435-Y1437 VanDerWaalsContact C-N 3.28Å; G1435-Y1437 VanDerWaalsContact O-CD2 3.23Å; G1435-Y1437 WeakPolarHBondContact O-CD2 3.37Å; G1435-Y1437 PolarHBondContact O-N 3.41Å; G1435-Y1437 VanDerWaalsContact O-N 3.12Å; Y1437-A1440 WeakPolarHBondContact O-CB 3.32Å; Y1437-A1440 PolarHBondContact O-N 3.33Å; Y1437-S1441 PolarHBondContact O-N 3.5Å; Y1437-T1468 WeakPolarHBondContact CB-O 3.43Å; Y1437-T1472 VanDerWaalsContact CB-CG2 3.43Å; Y1437-H1475 AromaticContact CD2-CD2 3.84Å; Y1437-H1475 AromaticContact CE2-CD2 3.39Å; Y1437-H1475 WeakPolarHBondContact CE2-CD2 3.4Å; Y1437-H1475 AromaticContact CE2-NE2 3.55Å |
| 1438 | E | 77.8 | Confident | 76.1 | Confident | 132 Ų | 132 | 42 Ų | 42 | 62% | 0.617 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -70 | -52.5 | -176.3 | -168.4 | -176.2 | 166.3 | 0 | 0 | 111.1 | Q1436 A1440 S1441 T1442 T1472 | Q1436-E1438 VanDerWaalsContact C-N 3.27Å; Q1436-E1438 PolarHBondContact O-N 2.7Å; E1438-A1440 PolarHBondContact O-N 2.89Å; E1438-S1441 PolarHBondContact O-N 3.48Å; E1438-S1441 VanDerWaalsContact O-N 3.1Å; E1438-S1441 PolarHBondContact O-OG 3.21Å; E1438-T1442 PolarHBondContact O-N 3.21Å; E1438-T1472 HydrophobicContact CB-CG2 3.58Å; E1438-T1472 HydrophobicContact CG-CG2 4.38Å |
| 1439 | K | 76.2 | Confident | 76.6 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -34.2 | 173.1 | -64.5 | -173.4 | 179.9 | -178.1 | 0 | 111.6 | E1415 L1431 S1441 T1442 I1443 | E1415-K1439 IonicContact OE1-NZ 3.6Å; E1415-K1439 PolarHBondContact OE1-NZ 3.41Å; L1431-K1439 HydrophobicContact CD1-CB 3.81Å; L1431-K1439 HydrophobicContact CD2-CB 4.16Å; L1431-K1439 HydrophobicContact CD2-CD 4.37Å; K1439-S1441 VanDerWaalsContact C-N 3.34Å; K1439-T1442 PolarHBondContact O-OG1 3.13Å; K1439-I1443 WeakPolarHBondContact O-CG1 3.37Å; K1439-I1443 PolarHBondContact O-N 3.2Å |
| 1440 | A | 80.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1428 L1431 L1432 Q1436 Y1437 E1438 L1444 | W1428-A1440 HydrophobicContact CB-CB 4.45Å; L1431-A1440 HydrophobicContact CB-CB 3.85Å; L1432-A1440 HydrophobicContact CD2-CB 4.35Å; L1432-A1440 HydrophobicContact CG-CB 4.22Å; Q1436-A1440 PolarHBondContact O-N 3.46Å; Y1437-A1440 WeakPolarHBondContact O-CB 3.32Å; Y1437-A1440 PolarHBondContact O-N 3.33Å; E1438-A1440 PolarHBondContact O-N 2.89Å; A1440-L1444 WeakPolarHBondContact O-CB 3.45Å; A1440-L1444 WeakPolarHBondContact O-CD1 3.4Å; A1440-L1444 VanDerWaalsContact O-CG 3.29Å; A1440-L1444 WeakPolarHBondContact O-CG 3.32Å; A1440-L1444 PolarHBondContact O-N 3.14Å |
| 1441 | S | 82.5 | Confident | 77.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | -178.3 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | Y1437 E1438 K1439 Y1445 T1468 | Y1437-S1441 PolarHBondContact O-N 3.5Å; E1438-S1441 PolarHBondContact O-N 3.48Å; E1438-S1441 VanDerWaalsContact O-N 3.1Å; E1438-S1441 PolarHBondContact O-OG 3.21Å; K1439-S1441 VanDerWaalsContact C-N 3.34Å; S1441-Y1445 WeakPolarHBondContact O-CB 3.41Å; S1441-Y1445 PolarHBondContact O-N 2.78Å; S1441-T1468 VanDerWaalsContact CA-OG1 3.29Å; S1441-T1468 WeakPolarHBondContact CA-OG1 3.39Å; S1441-T1468 VanDerWaalsContact CB-OG1 3.31Å; S1441-T1468 WeakPolarHBondContact CB-OG1 3.37Å |
| 1442 | T | 81.7 | Confident | 77.6 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | E1438 K1439 Y1445 E1446 | E1438-T1442 PolarHBondContact O-N 3.21Å; K1439-T1442 PolarHBondContact O-OG1 3.13Å; T1442-Y1445 WeakPolarHBondContact O-CB 3.3Å; T1442-Y1445 PolarHBondContact O-N 2.98Å; T1442-E1446 PolarHBondContact O-N 3.01Å |
| 1443 | I | 79 | Confident | 77.7 | Confident | 24 Ų | 24 | 55 Ų | 55 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.5 | -64.8 | 176.5 | 0 | 0 | 0 | 110.9 | Q1424 A1427 W1428 L1431 K1439 Y1445 E1446 E1447 | Q1424-I1443 HydrophobicContact CB-CG2 4.41Å; A1427-I1443 HydrophobicContact CB-CD1 3.7Å; W1428-I1443 HydrophobicContact CB-CB 4.48Å; W1428-I1443 HydrophobicContact CB-CG2 4.23Å; L1431-I1443 HydrophobicContact CD1-CD1 3.56Å; K1439-I1443 WeakPolarHBondContact O-CG1 3.37Å; K1439-I1443 PolarHBondContact O-N 3.2Å; I1443-Y1445 VanDerWaalsContact C-N 3.3Å; I1443-Y1445 PolarHBondContact O-N 3.42Å; I1443-E1446 PolarHBondContact O-N 2.95Å; I1443-E1447 PolarHBondContact O-N 2.99Å |
| 1444 | L | 82.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 175.7 | -79.5 | 166.9 | 0 | 0 | 0 | 112.4 | W1428 A1440 A1448 L1461 L1464 A1465 T1468 | W1428-L1444 HydrophobicContact CB-CD1 4.38Å; W1428-L1444 HydrophobicContact CB-CD2 4.21Å; W1428-L1444 HydrophobicContact CB-CG 3.83Å; W1428-L1444 HydrophobicContact CD2-CD1 4.45Å; W1428-L1444 HydrophobicContact CD2-CD2 3.49Å; W1428-L1444 VanDerWaalsContact CD2-CD2 3.49Å; W1428-L1444 HydrophobicContact CD2-CG 4.04Å; W1428-L1444 HydrophobicContact CE3-CD1 4.25Å; W1428-L1444 HydrophobicContact CE3-CD2 3.91Å; W1428-L1444 HydrophobicContact CE3-CG 4.34Å; W1428-L1444 HydrophobicContact CG-CD2 3.6Å; W1428-L1444 HydrophobicContact CG-CG 3.8Å; W1428-L1444 HydrophobicContact CZ2-CD2 4.48Å; A1440-L1444 WeakPolarHBondContact O-CB 3.45Å; A1440-L1444 WeakPolarHBondContact O-CD1 3.4Å; A1440-L1444 VanDerWaalsContact O-CG 3.29Å; A1440-L1444 WeakPolarHBondContact O-CG 3.32Å; A1440-L1444 PolarHBondContact O-N 3.14Å; L1444-A1448 VanDerWaalsContact O-CB 3.26Å; L1444-A1448 WeakPolarHBondContact O-CB 3.3Å; L1444-A1448 PolarHBondContact O-N 3.28Å; L1444-L1461 HydrophobicContact CD2-CD2 3.89Å; L1444-L1464 HydrophobicContact CD1-CB 4.04Å; L1444-L1464 HydrophobicContact CD1-CD2 3.73Å; L1444-L1464 HydrophobicContact CD1-CG 3.59Å; L1444-L1464 HydrophobicContact CD2-CB 4.47Å; L1444-L1464 HydrophobicContact CD2-CD2 3.82Å; L1444-L1464 HydrophobicContact CD2-CG 4.39Å; L1444-L1464 HydrophobicContact CG-CD2 4.45Å; L1444-A1465 HydrophobicContact CB-CB 3.74Å; L1444-T1468 HydrophobicContact CD1-CG2 3.98Å |
| 1445 | Y | 84 | Confident | 78.9 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 174.6 | 176.2 | -96.4 | 0 | 0 | 0 | 112.1 | S1441 T1442 I1443 E1447 A1448 C1449 F1462 F1516 K1519 V1520 Y1523 L1630 | S1441-Y1445 WeakPolarHBondContact O-CB 3.41Å; S1441-Y1445 PolarHBondContact O-N 2.78Å; T1442-Y1445 WeakPolarHBondContact O-CB 3.3Å; T1442-Y1445 PolarHBondContact O-N 2.98Å; I1443-Y1445 VanDerWaalsContact C-N 3.3Å; I1443-Y1445 PolarHBondContact O-N 3.42Å; Y1445-E1447 VanDerWaalsContact C-N 3.34Å; Y1445-E1447 PolarHBondContact O-N 3.07Å; Y1445-A1448 PolarHBondContact O-N 3.29Å; Y1445-C1449 PolarHBondContact O-N 2.63Å; Y1445-C1449 PolarHBondContact O-SG 3.11Å; Y1445-F1462 HydrophobicContact CD2-CD1 4.11Å; Y1445-F1462 AromaticContact CD2-CE1 3.69Å; Y1445-F1462 HydrophobicContact CD2-CE1 3.69Å; Y1445-F1462 AromaticContact CE2-CE1 3.83Å; Y1445-F1462 HydrophobicContact CE2-CE1 3.83Å; Y1445-F1516 HydrophobicContact CD1-CE2 4.13Å; Y1445-F1516 AromaticContact CD2-CE2 3.94Å; Y1445-F1516 HydrophobicContact CD2-CE2 3.94Å; Y1445-F1516 HydrophobicContact CD2-CZ 4.21Å; Y1445-F1516 AromaticContact CG-CE2 3.68Å; Y1445-F1516 HydrophobicContact CG-CE2 3.68Å; Y1445-F1516 HydrophobicContact CG-CZ 4.07Å; Y1445-K1519 HydrophobicContact CE2-CB 4.4Å; Y1445-V1520 HydrophobicContact CD2-CG2 3.72Å; Y1445-V1520 HydrophobicContact CE2-CG2 4.06Å; Y1445-Y1523 HydrophobicContact CE2-CD2 4.18Å; Y1445-Y1523 HydrophobicContact CE2-CE2 4.14Å; Y1445-L1630 HydrophobicContact CE1-CD1 3.88Å; Y1445-L1630 WeakPolarHBondContact OH-CD1 3.28Å |
| 1446 | E | 81.5 | Confident | 79.3 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.6 | -72.9 | -178.9 | -175.5 | 0 | 0 | 112.1 | Q1424 T1442 I1443 C1449 K1450 | Q1424-E1446 PolarHBondContact NE2-OE2 3.44Å; T1442-E1446 PolarHBondContact O-N 3.01Å; I1443-E1446 PolarHBondContact O-N 2.95Å; E1446-C1449 WeakPolarHBondContact O-CB 3.43Å; E1446-C1449 PolarHBondContact O-N 2.94Å; E1446-K1450 WeakPolarHBondContact O-CG 3.28Å; E1446-K1450 PolarHBondContact O-N 2.66Å |
| 1447 | E | 80.4 | Confident | 79.6 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.4 | -35.5 | 179.7 | -158.1 | 65.6 | -175.4 | 0 | 0 | 111.8 | N1425 I1443 Y1445 C1449 K1450 E1451 L1461 | N1425-E1447 PolarHBondContact ND2-OE1 3.29Å; N1425-E1447 WeakPolarHBondContact OD1-CG 3.47Å; N1425-E1447 PolarHBondContact OD1-OE1 3.33Å; I1443-E1447 PolarHBondContact O-N 2.99Å; Y1445-E1447 VanDerWaalsContact C-N 3.34Å; Y1445-E1447 PolarHBondContact O-N 3.07Å; E1447-C1449 VanDerWaalsContact C-N 3.28Å; E1447-C1449 PolarHBondContact O-N 2.95Å; E1447-K1450 PolarHBondContact O-N 2.73Å; E1447-K1450 IonicContact OE2-NZ 3.08Å; E1447-K1450 PolarHBondContact OE2-NZ 2.76Å; E1447-E1451 PolarHBondContact O-N 3.07Å; E1447-L1461 HydrophobicContact CG-CD1 4.38Å |
| 1448 | A | 83.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -32.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1444 Y1445 R1458 L1461 F1462 | L1444-A1448 VanDerWaalsContact O-CB 3.26Å; L1444-A1448 WeakPolarHBondContact O-CB 3.3Å; L1444-A1448 PolarHBondContact O-N 3.28Å; Y1445-A1448 PolarHBondContact O-N 3.29Å; A1448-R1458 VanDerWaalsContact O-CG 3.3Å; A1448-R1458 WeakPolarHBondContact O-CG 3.35Å; A1448-R1458 PolarHBondContact O-NE 2.98Å; A1448-L1461 HydrophobicContact CB-CB 3.57Å; A1448-F1462 HydrophobicContact CB-CB 4.47Å; A1448-F1462 HydrophobicContact CB-CD1 3.51Å; A1448-F1462 HydrophobicContact CB-CD2 3.72Å; A1448-F1462 HydrophobicContact CB-CE1 3.48Å; A1448-F1462 VanDerWaalsContact CB-CE1 3.48Å; A1448-F1462 HydrophobicContact CB-CE2 3.7Å; A1448-F1462 HydrophobicContact CB-CG 3.62Å; A1448-F1462 HydrophobicContact CB-CZ 3.57Å |
| 1449 | C | 80.8 | Confident | 80.4 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.1 | -30.1 | 175.8 | -73.7 | 0 | 0 | 0 | 0 | 113 | Y1445 E1446 E1447 F1452 | Y1445-C1449 PolarHBondContact O-N 2.63Å; Y1445-C1449 PolarHBondContact O-SG 3.11Å; E1446-C1449 WeakPolarHBondContact O-CB 3.43Å; E1446-C1449 PolarHBondContact O-N 2.94Å; E1447-C1449 VanDerWaalsContact C-N 3.28Å; E1447-C1449 PolarHBondContact O-N 2.95Å; C1449-F1452 WeakPolarHBondContact O-CZ 3.31Å |
| 1450 | K | 76.5 | Confident | 80.8 | Confident | 105 Ų | 105 | 50.8 Ų | 50.8 | 46% | 0.457 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -82.9 | -15.6 | 178.5 | -64.6 | 170.7 | -160.9 | 159.1 | 0 | 114 | E1446 E1447 F1452 | E1446-K1450 WeakPolarHBondContact O-CG 3.28Å; E1446-K1450 PolarHBondContact O-N 2.66Å; E1447-K1450 PolarHBondContact O-N 2.73Å; E1447-K1450 IonicContact OE2-NZ 3.08Å; E1447-K1450 PolarHBondContact OE2-NZ 2.76Å; K1450-F1452 WeakPolarHBondContact O-CD2 2.94Å; K1450-F1452 WeakPolarHBondContact O-CE2 3.15Å; K1450-F1452 PolarHBondContact O-N 2.97Å |
| 1451 | E | 78.2 | Confident | 81.2 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | trans | -81.4 | 102.4 | -178.4 | -179.6 | 58 | -107.4 | 0 | 0 | 111.5 | E1447 Q1453 Y1454 R1457 R1458 L1461 | E1447-E1451 PolarHBondContact O-N 3.07Å; E1451-Q1453 PolarHBondContact OE1-N 2.65Å; E1451-Y1454 PolarHBondContact OE1-N 3.15Å; E1451-R1457 HydrophobicContact CG-CB 4.19Å; E1451-R1457 HydrophobicContact CG-CG 4.2Å; E1451-R1457 WeakPolarHBondContact OE2-CD 3.01Å; E1451-R1457 IonicContact OE2-CZ 2.87Å; E1451-R1457 IonicContact OE2-NE 3.08Å; E1451-R1457 PolarHBondContact OE2-NE 3.08Å; E1451-R1457 IonicContact OE2-NH1 2.79Å; E1451-R1458 HydrophobicContact CB-CB 4.31Å; E1451-R1458 HydrophobicContact CB-CG 4.27Å; E1451-R1458 HydrophobicContact CG-CB 3.98Å; E1451-R1458 HydrophobicContact CG-CG 4.47Å; E1451-R1458 WeakPolarHBondContact O-CD 3.09Å; E1451-R1458 PolarHBondContact O-NE 3.07Å; E1451-L1461 HydrophobicContact CB-CD1 4.35Å | ||
| 1452 | F | 75.1 | Confident | 81.5 | Confident | 126 Ų | 126 | 51.4 Ų | 51.4 | 55% | 0.553 | 25% | 0.253 | S | S | * | . | trans | -108.9 | -12.8 | 178.1 | -59.5 | -78.4 | 0 | 0 | 0 | 113.8 | C1449 K1450 V1565 | C1449-F1452 WeakPolarHBondContact O-CZ 3.31Å; K1450-F1452 WeakPolarHBondContact O-CD2 2.94Å; K1450-F1452 WeakPolarHBondContact O-CE2 3.15Å; K1450-F1452 PolarHBondContact O-N 2.97Å; F1452-V1565 WeakPolarHBondContact O-CB 2.92Å; F1452-V1565 WeakPolarHBondContact O-CG2 3.2Å; F1452-V1565 PolarHBondContact O-N 3.12Å; F1452-V1565 VanDerWaalsContact O-N 3.14Å | ||
| 1453 | Q | 72.3 | Confident | 81.9 | Confident | 138 Ų | 138 | 50.4 Ų | 50.4 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -86.7 | -41.1 | -171.5 | -65.6 | -179.8 | -0.7 | 0 | 0 | 111.8 | E1451 | E1451-Q1453 PolarHBondContact OE1-N 2.65Š|
| 1454 | Y | 77.6 | Confident | 82.3 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | trans | -121.9 | 103.9 | -171.7 | -61 | -84.2 | 0 | 0 | 0 | 112 | E1451 G1456 R1457 R1458 Y1562 | E1451-Y1454 PolarHBondContact OE1-N 3.15Å; Y1454-G1456 VanDerWaalsContact C-N 3.29Å; Y1454-G1456 PolarHBondContact O-N 2.89Å; Y1454-R1457 PolarHBondContact O-N 3.36Å; Y1454-R1457 VanDerWaalsContact O-N 3.1Å; Y1454-R1458 PolarHBondContact O-N 2.75Å; Y1454-Y1562 HydrophobicContact CD1-CD1 4.28Å; Y1454-Y1562 AromaticContact CE1-CD1 3.42Å; Y1454-Y1562 HydrophobicContact CE1-CD1 3.42Å; Y1454-Y1562 VanDerWaalsContact CE1-CD1 3.42Å; Y1454-Y1562 AromaticContact CE1-CE1 3.62Å; Y1454-Y1562 HydrophobicContact CE1-CE1 3.62Å | ||
| 1455 | L | 80.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.8 | -43.9 | 178 | -173.1 | 69.1 | 0 | 0 | 0 | 112.7 | R1457 R1458 K1459 I1527 Q1530 E1531 K1563 V1565 | L1455-R1457 PolarHBondContact O-N 2.69Å; L1455-R1458 PolarHBondContact O-N 3.22Å; L1455-K1459 PolarHBondContact O-N 3.17Å; L1455-I1527 HydrophobicContact CD1-CB 4.31Å; L1455-I1527 HydrophobicContact CD1-CG1 3.97Å; L1455-I1527 HydrophobicContact CD1-CG2 3.91Å; L1455-I1527 HydrophobicContact CG-CG2 4.14Å; L1455-Q1530 HydrophobicContact CD2-CB 4.49Å; L1455-Q1530 HydrophobicContact CD2-CG 4.02Å; L1455-E1531 HydrophobicContact CD2-CG 3.98Å; L1455-K1563 HydrophobicContact CB-CB 4.43Å; L1455-K1563 WeakPolarHBondContact CB-O 3.21Å; L1455-K1563 PolarHBondContact N-O 3.39Å; L1455-V1565 HydrophobicContact CB-CG2 4.33Å; L1455-V1565 HydrophobicContact CD1-CG1 4.39Å; L1455-V1565 HydrophobicContact CD1-CG2 4.14Å |
| 1456 | G | 80.6 | Confident | 82.6 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1454 K1459 T1460 | Y1454-G1456 VanDerWaalsContact C-N 3.29Å; Y1454-G1456 PolarHBondContact O-N 2.89Å; G1456-K1459 WeakPolarHBondContact O-CB 3.43Å; G1456-K1459 PolarHBondContact O-N 3.13Å; G1456-T1460 WeakPolarHBondContact O-CG2 3.43Å; G1456-T1460 PolarHBondContact O-N 3.21Å; G1456-T1460 VanDerWaalsContact O-N 3.11Å; G1456-T1460 PolarHBondContact O-OG1 3.43Å |
| 1457 | R | 81.3 | Confident | 82.9 | Confident | 116 Ų | 116 | 54.7 Ų | 54.7 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 177 | -176.2 | 168.8 | 171.4 | -169.7 | 2 | 110.9 | E1451 Y1454 L1455 K1459 T1460 L1461 | E1451-R1457 HydrophobicContact CG-CB 4.19Å; E1451-R1457 HydrophobicContact CG-CG 4.2Å; E1451-R1457 WeakPolarHBondContact OE2-CD 3.01Å; E1451-R1457 IonicContact OE2-CZ 2.87Å; E1451-R1457 IonicContact OE2-NE 3.08Å; E1451-R1457 PolarHBondContact OE2-NE 3.08Å; E1451-R1457 IonicContact OE2-NH1 2.79Å; Y1454-R1457 PolarHBondContact O-N 3.36Å; Y1454-R1457 VanDerWaalsContact O-N 3.1Å; L1455-R1457 PolarHBondContact O-N 2.69Å; R1457-K1459 VanDerWaalsContact C-N 3.29Å; R1457-K1459 PolarHBondContact O-N 3.2Å; R1457-T1460 WeakPolarHBondContact CA-OG1 3.36Å; R1457-T1460 PolarHBondContact O-N 3.13Å; R1457-T1460 VanDerWaalsContact O-N 3.14Å; R1457-T1460 PolarHBondContact O-OG1 2.95Å; R1457-L1461 HydrophobicContact CG-CD1 4.13Å; R1457-L1461 HydrophobicContact CG-CG 4.49Å; R1457-L1461 WeakPolarHBondContact O-CG 3.39Å; R1457-L1461 PolarHBondContact O-N 3.08Å |
| 1458 | R | 85.7 | Confident | 83 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 2% | 0.023 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.2 | -44.9 | 175.9 | -159.2 | 178.5 | -165.4 | 176.3 | -9 | 111.8 | A1448 E1451 Y1454 L1455 T1460 L1461 F1462 I1527 | A1448-R1458 VanDerWaalsContact O-CG 3.3Å; A1448-R1458 WeakPolarHBondContact O-CG 3.35Å; A1448-R1458 PolarHBondContact O-NE 2.98Å; E1451-R1458 HydrophobicContact CB-CB 4.31Å; E1451-R1458 HydrophobicContact CB-CG 4.27Å; E1451-R1458 HydrophobicContact CG-CB 3.98Å; E1451-R1458 HydrophobicContact CG-CG 4.47Å; E1451-R1458 WeakPolarHBondContact O-CD 3.09Å; E1451-R1458 PolarHBondContact O-NE 3.07Å; Y1454-R1458 PolarHBondContact O-N 2.75Å; L1455-R1458 PolarHBondContact O-N 3.22Å; R1458-T1460 PolarHBondContact O-N 2.78Å; R1458-L1461 PolarHBondContact O-N 2.95Å; R1458-F1462 HydrophobicContact CG-CD2 4.01Å; R1458-F1462 HydrophobicContact CG-CE2 3.78Å; R1458-F1462 WeakPolarHBondContact O-CD2 3.22Å; R1458-F1462 PolarHBondContact O-N 3.32Å; R1458-F1462 VanDerWaalsContact O-N 3.09Å; R1458-I1527 HydrophobicContact CB-CD1 4.28Å; R1458-I1527 HydrophobicContact CG-CD1 4.16Å |
| 1459 | K | 87.3 | Confident | 83 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.8 | -169.3 | 174.6 | -179.5 | 171.9 | 0 | 112.4 | L1455 G1456 R1457 L1461 S1463 L1524 I1527 E1531 | L1455-K1459 PolarHBondContact O-N 3.17Å; G1456-K1459 WeakPolarHBondContact O-CB 3.43Å; G1456-K1459 PolarHBondContact O-N 3.13Å; R1457-K1459 VanDerWaalsContact C-N 3.29Å; R1457-K1459 PolarHBondContact O-N 3.2Å; K1459-L1461 PolarHBondContact O-N 3.33Å; K1459-S1463 VanDerWaalsContact O-CB 3.3Å; K1459-S1463 WeakPolarHBondContact O-CB 3.36Å; K1459-S1463 PolarHBondContact O-N 2.97Å; K1459-S1463 PolarHBondContact O-OG 3.26Å; K1459-L1524 HydrophobicContact CG-CD2 4.31Å; K1459-I1527 HydrophobicContact CB-CD1 4.26Å; K1459-I1527 HydrophobicContact CB-CG2 4.04Å; K1459-I1527 HydrophobicContact CD-CG2 3.99Å; K1459-I1527 HydrophobicContact CG-CG2 4.11Å; K1459-E1531 WeakPolarHBondContact CD-OE1 3.37Å; K1459-E1531 IonicContact NZ-OE1 2.97Å; K1459-E1531 PolarHBondContact NZ-OE1 3.45Å; K1459-E1531 IonicContact NZ-OE2 3.21Å; K1459-E1531 PolarHBondContact NZ-OE2 3.36Å |
| 1460 | T | 86.1 | Confident | 83 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 53% | 0.534 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | G1456 R1457 R1458 S1463 L1464 | G1456-T1460 WeakPolarHBondContact O-CG2 3.43Å; G1456-T1460 PolarHBondContact O-N 3.21Å; G1456-T1460 VanDerWaalsContact O-N 3.11Å; G1456-T1460 PolarHBondContact O-OG1 3.43Å; R1457-T1460 WeakPolarHBondContact CA-OG1 3.36Å; R1457-T1460 PolarHBondContact O-N 3.13Å; R1457-T1460 VanDerWaalsContact O-N 3.14Å; R1457-T1460 PolarHBondContact O-OG1 2.95Å; R1458-T1460 PolarHBondContact O-N 2.78Å; T1460-S1463 PolarHBondContact O-N 3.26Å; T1460-L1464 WeakPolarHBondContact O-CB 3.38Å; T1460-L1464 PolarHBondContact O-N 2.85Å |
| 1461 | L | 87.6 | Confident | 83.1 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 179.6 | -67.9 | 169.3 | 0 | 0 | 0 | 111.7 | L1444 E1447 A1448 E1451 R1457 R1458 K1459 S1463 L1464 A1465 | L1444-L1461 HydrophobicContact CD2-CD2 3.89Å; E1447-L1461 HydrophobicContact CG-CD1 4.38Å; A1448-L1461 HydrophobicContact CB-CB 3.57Å; E1451-L1461 HydrophobicContact CB-CD1 4.35Å; R1457-L1461 HydrophobicContact CG-CD1 4.13Å; R1457-L1461 HydrophobicContact CG-CG 4.49Å; R1457-L1461 WeakPolarHBondContact O-CG 3.39Å; R1457-L1461 PolarHBondContact O-N 3.08Å; R1458-L1461 PolarHBondContact O-N 2.95Å; K1459-L1461 PolarHBondContact O-N 3.33Å; L1461-S1463 PolarHBondContact O-N 3.36Å; L1461-L1464 PolarHBondContact O-N 3.17Å; L1461-A1465 WeakPolarHBondContact O-CB 3.28Å; L1461-A1465 PolarHBondContact O-N 3.48Å |
| 1462 | F | 88.8 | Confident | 83 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175 | -79.7 | -56.5 | 0 | 0 | 0 | 112.9 | Y1445 A1448 R1458 L1464 A1465 K1466 V1520 Y1523 L1524 I1527 | Y1445-F1462 HydrophobicContact CD2-CD1 4.11Å; Y1445-F1462 AromaticContact CD2-CE1 3.69Å; Y1445-F1462 HydrophobicContact CD2-CE1 3.69Å; Y1445-F1462 AromaticContact CE2-CE1 3.83Å; Y1445-F1462 HydrophobicContact CE2-CE1 3.83Å; A1448-F1462 HydrophobicContact CB-CB 4.47Å; A1448-F1462 HydrophobicContact CB-CD1 3.51Å; A1448-F1462 HydrophobicContact CB-CD2 3.72Å; A1448-F1462 HydrophobicContact CB-CE1 3.48Å; A1448-F1462 VanDerWaalsContact CB-CE1 3.48Å; A1448-F1462 HydrophobicContact CB-CE2 3.7Å; A1448-F1462 HydrophobicContact CB-CG 3.62Å; A1448-F1462 HydrophobicContact CB-CZ 3.57Å; R1458-F1462 HydrophobicContact CG-CD2 4.01Å; R1458-F1462 HydrophobicContact CG-CE2 3.78Å; R1458-F1462 WeakPolarHBondContact O-CD2 3.22Å; R1458-F1462 PolarHBondContact O-N 3.32Å; R1458-F1462 VanDerWaalsContact O-N 3.09Å; F1462-L1464 VanDerWaalsContact C-N 3.31Å; F1462-L1464 PolarHBondContact O-N 2.83Å; F1462-A1465 PolarHBondContact O-N 2.71Å; F1462-K1466 WeakPolarHBondContact O-CB 3.39Å; F1462-K1466 PolarHBondContact O-N 2.88Å; F1462-V1520 HydrophobicContact CB-CG1 4.3Å; F1462-V1520 HydrophobicContact CD1-CG1 4.34Å; F1462-V1520 WeakPolarHBondContact O-CG1 3.31Å; F1462-Y1523 HydrophobicContact CD2-CG 4.43Å; F1462-Y1523 HydrophobicContact CE1-CD1 4.48Å; F1462-Y1523 AromaticContact CE1-CD2 3.77Å; F1462-Y1523 HydrophobicContact CE1-CD2 3.77Å; F1462-Y1523 HydrophobicContact CE1-CE2 4.35Å; F1462-Y1523 AromaticContact CE1-CG 3.84Å; F1462-Y1523 HydrophobicContact CE1-CG 3.84Å; F1462-Y1523 AromaticContact CE2-CD1 3.73Å; F1462-Y1523 HydrophobicContact CE2-CD1 3.73Å; F1462-Y1523 HydrophobicContact CE2-CD2 4.42Å; F1462-Y1523 HydrophobicContact CE2-CE1 4.47Å; F1462-Y1523 AromaticContact CE2-CG 3.69Å; F1462-Y1523 HydrophobicContact CE2-CG 3.69Å; F1462-Y1523 AromaticContact CZ-CD1 3.58Å; F1462-Y1523 HydrophobicContact CZ-CD1 3.58Å; F1462-Y1523 AromaticContact CZ-CD2 3.65Å; F1462-Y1523 HydrophobicContact CZ-CD2 3.65Å; F1462-Y1523 HydrophobicContact CZ-CE1 4.03Å; F1462-Y1523 HydrophobicContact CZ-CE2 4.12Å; F1462-Y1523 AromaticContact CZ-CG 3.36Å; F1462-Y1523 HydrophobicContact CZ-CG 3.36Å; F1462-L1524 HydrophobicContact CB-CD2 3.75Å; F1462-L1524 HydrophobicContact CB-CG 4.06Å; F1462-I1527 HydrophobicContact CD2-CD1 4.01Å |
| 1463 | S | 90.3 | Very high | 82.7 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 30% | 0.301 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | K1459 T1460 L1461 K1466 L1467 | K1459-S1463 VanDerWaalsContact O-CB 3.3Å; K1459-S1463 WeakPolarHBondContact O-CB 3.36Å; K1459-S1463 PolarHBondContact O-N 2.97Å; K1459-S1463 PolarHBondContact O-OG 3.26Å; T1460-S1463 PolarHBondContact O-N 3.26Å; L1461-S1463 PolarHBondContact O-N 3.36Å; S1463-K1466 PolarHBondContact O-N 3.22Å; S1463-L1467 WeakPolarHBondContact O-CG 3.39Å; S1463-L1467 PolarHBondContact O-N 3.39Å |
| 1464 | L | 87.2 | Confident | 82.2 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | 176.4 | -166.5 | 65.9 | 0 | 0 | 0 | 111.6 | W1428 L1444 T1460 L1461 F1462 K1466 L1467 T1468 | W1428-L1464 HydrophobicContact CE3-CD2 3.82Å; W1428-L1464 HydrophobicContact CH2-CD2 3.87Å; W1428-L1464 HydrophobicContact CZ3-CD2 3.39Å; L1444-L1464 HydrophobicContact CD1-CB 4.04Å; L1444-L1464 HydrophobicContact CD1-CD2 3.73Å; L1444-L1464 HydrophobicContact CD1-CG 3.59Å; L1444-L1464 HydrophobicContact CD2-CB 4.47Å; L1444-L1464 HydrophobicContact CD2-CD2 3.82Å; L1444-L1464 HydrophobicContact CD2-CG 4.39Å; L1444-L1464 HydrophobicContact CG-CD2 4.45Å; T1460-L1464 WeakPolarHBondContact O-CB 3.38Å; T1460-L1464 PolarHBondContact O-N 2.85Å; L1461-L1464 PolarHBondContact O-N 3.17Å; F1462-L1464 VanDerWaalsContact C-N 3.31Å; F1462-L1464 PolarHBondContact O-N 2.83Å; L1464-K1466 VanDerWaalsContact C-N 3.29Å; L1464-K1466 PolarHBondContact O-N 2.89Å; L1464-L1467 PolarHBondContact O-N 2.73Å; L1464-T1468 HydrophobicContact CD1-CG2 4.48Å; L1464-T1468 HydrophobicContact CG-CG2 4.34Å; L1464-T1468 WeakPolarHBondContact O-CB 3.03Å; L1464-T1468 VanDerWaalsContact O-CG2 3.31Å; L1464-T1468 WeakPolarHBondContact O-CG2 3.43Å; L1464-T1468 PolarHBondContact O-N 3.01Å; L1464-T1468 PolarHBondContact O-OG1 2.89Å |
| 1465 | A | 86.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1444 L1461 F1462 T1468 Y1469 | L1444-A1465 HydrophobicContact CB-CB 3.74Å; L1461-A1465 WeakPolarHBondContact O-CB 3.28Å; L1461-A1465 PolarHBondContact O-N 3.48Å; F1462-A1465 PolarHBondContact O-N 2.71Å; A1465-T1468 WeakPolarHBondContact CA-OG1 3.5Å; A1465-T1468 PolarHBondContact O-OG1 2.81Å; A1465-Y1469 VanDerWaalsContact O-CB 3.26Å; A1465-Y1469 WeakPolarHBondContact O-CB 3.5Å; A1465-Y1469 PolarHBondContact O-N 2.89Å |
| 1466 | K | 87.6 | Confident | 79.7 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.2 | -172.8 | 171 | 176.8 | 174.3 | 0 | 112.3 | F1462 S1463 L1464 Y1469 L1470 L1517 V1520 N1521 L1524 | F1462-K1466 WeakPolarHBondContact O-CB 3.39Å; F1462-K1466 PolarHBondContact O-N 2.88Å; S1463-K1466 PolarHBondContact O-N 3.22Å; L1464-K1466 VanDerWaalsContact C-N 3.29Å; L1464-K1466 PolarHBondContact O-N 2.89Å; K1466-Y1469 PolarHBondContact O-N 2.88Å; K1466-L1470 HydrophobicContact CG-CD1 4.07Å; K1466-L1470 VanDerWaalsContact O-CG 3.28Å; K1466-L1470 WeakPolarHBondContact O-CG 3.46Å; K1466-L1470 PolarHBondContact O-N 3.2Å; K1466-L1517 HydrophobicContact CD-CD1 4.28Å; K1466-L1517 HydrophobicContact CG-CD1 3.88Å; K1466-V1520 HydrophobicContact CB-CG1 3.86Å; K1466-N1521 VanDerWaalsContact CE-OD1 3.28Å; K1466-N1521 WeakPolarHBondContact CE-OD1 3.48Å; K1466-N1521 PolarHBondContact NZ-OD1 2.86Å; K1466-L1524 HydrophobicContact CD-CD1 4.1Å |
| 1467 | L | 86.7 | Confident | 78.2 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 56% | 0.56 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | -178.2 | -72.5 | 174.1 | 0 | 0 | 0 | 112.1 | S1463 L1464 Y1469 L1470 T1471 | S1463-L1467 WeakPolarHBondContact O-CG 3.39Å; S1463-L1467 PolarHBondContact O-N 3.39Å; L1464-L1467 PolarHBondContact O-N 2.73Å; L1467-Y1469 VanDerWaalsContact C-N 3.34Å; L1467-L1470 PolarHBondContact O-N 2.8Å; L1467-T1471 WeakPolarHBondContact O-CG2 3.3Å; L1467-T1471 PolarHBondContact O-N 2.94Å; L1467-T1471 PolarHBondContact O-OG1 2.86Å |
| 1468 | T | 83 | Confident | 76.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 178 | 49 | 0 | 0 | 0 | 0 | 111.6 | L1432 Y1437 S1441 L1444 L1464 A1465 T1471 T1472 | L1432-T1468 HydrophobicContact CD1-CG2 4.47Å; L1432-T1468 HydrophobicContact CD2-CG2 3.34Å; L1432-T1468 HydrophobicContact CG-CG2 4.28Å; Y1437-T1468 WeakPolarHBondContact CB-O 3.43Å; S1441-T1468 VanDerWaalsContact CA-OG1 3.29Å; S1441-T1468 WeakPolarHBondContact CA-OG1 3.39Å; S1441-T1468 VanDerWaalsContact CB-OG1 3.31Å; S1441-T1468 WeakPolarHBondContact CB-OG1 3.37Å; L1444-T1468 HydrophobicContact CD1-CG2 3.98Å; L1464-T1468 HydrophobicContact CD1-CG2 4.48Å; L1464-T1468 HydrophobicContact CG-CG2 4.34Å; L1464-T1468 WeakPolarHBondContact O-CB 3.03Å; L1464-T1468 VanDerWaalsContact O-CG2 3.31Å; L1464-T1468 WeakPolarHBondContact O-CG2 3.43Å; L1464-T1468 PolarHBondContact O-N 3.01Å; L1464-T1468 PolarHBondContact O-OG1 2.89Å; A1465-T1468 WeakPolarHBondContact CA-OG1 3.5Å; A1465-T1468 PolarHBondContact O-OG1 2.81Å; T1468-T1471 WeakPolarHBondContact CA-OG1 3.4Å; T1468-T1471 PolarHBondContact O-N 2.83Å; T1468-T1471 PolarHBondContact O-OG1 2.68Å; T1468-T1472 PolarHBondContact O-N 3.02Å |
| 1469 | Y | 83.1 | Confident | 74.6 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 9% | 0.09 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 172 | -170.3 | -104.4 | 0 | 0 | 0 | 112.6 | A1465 K1466 L1467 T1471 T1472 I1473 E1513 F1516 | A1465-Y1469 VanDerWaalsContact O-CB 3.26Å; A1465-Y1469 WeakPolarHBondContact O-CB 3.5Å; A1465-Y1469 PolarHBondContact O-N 2.89Å; K1466-Y1469 PolarHBondContact O-N 2.88Å; L1467-Y1469 VanDerWaalsContact C-N 3.34Å; Y1469-T1471 VanDerWaalsContact C-N 3.25Å; Y1469-T1471 PolarHBondContact O-N 2.84Å; Y1469-T1472 PolarHBondContact O-N 3.34Å; Y1469-T1472 VanDerWaalsContact O-N 3.14Å; Y1469-T1472 PolarHBondContact O-OG1 3.19Å; Y1469-I1473 HydrophobicContact CD1-CD1 3.96Å; Y1469-I1473 HydrophobicContact CE1-CD1 3.67Å; Y1469-I1473 HydrophobicContact CE1-CG1 4.47Å; Y1469-I1473 PolarHBondContact O-N 2.93Å; Y1469-E1513 WeakPolarHBondContact OH-CA 3.22Å; Y1469-E1513 WeakPolarHBondContact OH-CB 3.37Å; Y1469-E1513 WeakPolarHBondContact OH-CG 3.34Å; Y1469-E1513 PolarHBondContact OH-O 3.44Å; Y1469-F1516 AromaticContact CD1-CD1 3.96Å; Y1469-F1516 HydrophobicContact CD1-CD1 3.96Å; Y1469-F1516 HydrophobicContact CD1-CE1 4.4Å; Y1469-F1516 AromaticContact CD2-CD1 3.72Å; Y1469-F1516 HydrophobicContact CD2-CD1 3.72Å; Y1469-F1516 AromaticContact CD2-CE1 3.85Å; Y1469-F1516 HydrophobicContact CD2-CE1 3.85Å; Y1469-F1516 HydrophobicContact CE1-CD1 4.16Å; Y1469-F1516 AromaticContact CE2-CD1 3.95Å; Y1469-F1516 HydrophobicContact CE2-CD1 3.95Å; Y1469-F1516 AromaticContact CG-CD1 3.73Å; Y1469-F1516 HydrophobicContact CG-CD1 3.73Å; Y1469-F1516 AromaticContact CG-CE1 3.8Å; Y1469-F1516 HydrophobicContact CG-CE1 3.8Å |
| 1470 | L | 81.7 | Confident | 72.4 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -30.7 | 175.8 | -70.2 | 170.7 | 0 | 0 | 0 | 112.7 | K1466 L1467 T1472 I1473 N1474 | K1466-L1470 HydrophobicContact CG-CD1 4.07Å; K1466-L1470 VanDerWaalsContact O-CG 3.28Å; K1466-L1470 WeakPolarHBondContact O-CG 3.46Å; K1466-L1470 PolarHBondContact O-N 3.2Å; L1467-L1470 PolarHBondContact O-N 2.8Å; L1470-T1472 VanDerWaalsContact C-N 3.35Å; L1470-I1473 HydrophobicContact CD2-CD1 4.32Å; L1470-I1473 PolarHBondContact O-N 2.81Å; L1470-N1474 PolarHBondContact O-N 2.99Å |
| 1471 | T | 78.6 | Confident | 70.2 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.2 | -27.9 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | L1467 T1468 Y1469 H1475 | L1467-T1471 WeakPolarHBondContact O-CG2 3.3Å; L1467-T1471 PolarHBondContact O-N 2.94Å; L1467-T1471 PolarHBondContact O-OG1 2.86Å; T1468-T1471 WeakPolarHBondContact CA-OG1 3.4Å; T1468-T1471 PolarHBondContact O-N 2.83Å; T1468-T1471 PolarHBondContact O-OG1 2.68Å; Y1469-T1471 VanDerWaalsContact C-N 3.25Å; Y1469-T1471 PolarHBondContact O-N 2.84Å; T1471-H1475 WeakPolarHBondContact O-CB 3.2Å; T1471-H1475 PolarHBondContact O-N 2.78Å; T1471-H1475 VanDerWaalsContact O-N 3.08Å |
| 1472 | T | 75.4 | Confident | 67.7 | Low | 26 Ų | 26 | 71.6 Ų | 71.6 | 16% | 0.16 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | 173.8 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | Y1437 E1438 T1468 Y1469 L1470 N1474 H1475 S1476 | Y1437-T1472 VanDerWaalsContact CB-CG2 3.43Å; E1438-T1472 HydrophobicContact CB-CG2 3.58Å; E1438-T1472 HydrophobicContact CG-CG2 4.38Å; T1468-T1472 PolarHBondContact O-N 3.02Å; Y1469-T1472 PolarHBondContact O-N 3.34Å; Y1469-T1472 VanDerWaalsContact O-N 3.14Å; Y1469-T1472 PolarHBondContact O-OG1 3.19Å; L1470-T1472 VanDerWaalsContact C-N 3.35Å; T1472-N1474 VanDerWaalsContact C-N 3.32Å; T1472-N1474 PolarHBondContact O-N 3.2Å; T1472-H1475 PolarHBondContact O-N 3.41Å; T1472-S1476 PolarHBondContact O-N 3.14Å; T1472-S1476 PolarHBondContact O-OG 2.83Å; T1472-S1476 VanDerWaalsContact O-OG 3.12Å |
| 1473 | I | 68.9 | Low | 65.2 | Low | 54 Ų | 54 | 79.1 Ų | 79.1 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | -179.3 | -62.1 | 169.1 | 0 | 0 | 0 | 110.1 | Y1469 L1470 H1475 S1476 D1477 | Y1469-I1473 HydrophobicContact CD1-CD1 3.96Å; Y1469-I1473 HydrophobicContact CE1-CD1 3.67Å; Y1469-I1473 HydrophobicContact CE1-CG1 4.47Å; Y1469-I1473 PolarHBondContact O-N 2.93Å; L1470-I1473 HydrophobicContact CD2-CD1 4.32Å; L1470-I1473 PolarHBondContact O-N 2.81Å; I1473-H1475 PolarHBondContact O-N 2.79Å; I1473-S1476 WeakPolarHBondContact CA-OG 3.06Å; I1473-S1476 PolarHBondContact O-N 2.83Å; I1473-S1476 PolarHBondContact O-OG 3.49Å; I1473-D1477 PolarHBondContact O-N 2.99Å |
| 1474 | N | 61.6 | Low | 62.7 | Low | 109 Ų | 109 | 82.5 Ų | 82.5 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.6 | -33.6 | 177.5 | -72.8 | -20.9 | 0 | 0 | 0 | 113 | L1470 T1472 D1477 S1478 | L1470-N1474 PolarHBondContact O-N 2.99Å; T1472-N1474 VanDerWaalsContact C-N 3.32Å; T1472-N1474 PolarHBondContact O-N 3.2Å; N1474-D1477 PolarHBondContact O-N 3.18Å; N1474-S1478 WeakPolarHBondContact O-CB 3.31Å; N1474-S1478 PolarHBondContact O-N 2.83Å |
| 1475 | H | 54.2 | Low | 60.3 | Low | 98 Ų | 98 | 84.7 Ų | 84.7 | 45% | 0.454 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 176.4 | -101.9 | -66.4 | 0 | 0 | 0 | 112.3 | Y1437 T1471 T1472 I1473 D1477 S1478 V1479 | Y1437-H1475 AromaticContact CD2-CD2 3.84Å; Y1437-H1475 AromaticContact CE2-CD2 3.39Å; Y1437-H1475 WeakPolarHBondContact CE2-CD2 3.4Å; Y1437-H1475 AromaticContact CE2-NE2 3.55Å; T1471-H1475 WeakPolarHBondContact O-CB 3.2Å; T1471-H1475 PolarHBondContact O-N 2.78Å; T1471-H1475 VanDerWaalsContact O-N 3.08Å; T1472-H1475 PolarHBondContact O-N 3.41Å; I1473-H1475 PolarHBondContact O-N 2.79Å; H1475-D1477 VanDerWaalsContact C-N 3.31Å; H1475-D1477 PolarHBondContact O-N 2.87Å; H1475-S1478 PolarHBondContact O-N 2.72Å; H1475-V1479 WeakPolarHBondContact O-CG2 3.33Å; H1475-V1479 PolarHBondContact O-N 2.83Å |
| 1476 | S | 52.8 | Low | 57.8 | Low | 77 Ų | 77 | 88.2 Ų | 88.2 | 54% | 0.538 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 172.8 | 38 | 0 | 0 | 0 | 0 | 112.3 | T1472 I1473 | T1472-S1476 PolarHBondContact O-N 3.14Å; T1472-S1476 PolarHBondContact O-OG 2.83Å; T1472-S1476 VanDerWaalsContact O-OG 3.12Å; I1473-S1476 WeakPolarHBondContact CA-OG 3.06Å; I1473-S1476 PolarHBondContact O-N 2.83Å; I1473-S1476 PolarHBondContact O-OG 3.49Å |
| 1477 | D | 48.1 | Very low | 55.5 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.9 | -37.2 | 177 | -80.5 | -15.5 | 0 | 0 | 0 | 112.6 | I1473 N1474 H1475 V1479 M1480 | I1473-D1477 PolarHBondContact O-N 2.99Å; N1474-D1477 PolarHBondContact O-N 3.18Å; H1475-D1477 VanDerWaalsContact C-N 3.31Å; H1475-D1477 PolarHBondContact O-N 2.87Å; D1477-V1479 PolarHBondContact O-N 3.1Å; D1477-M1480 PolarHBondContact O-N 3.29Å |
| 1478 | S | 47.7 | Very low | 53.3 | Low | 75 Ų | 75 | 94 Ų | 94 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -31.4 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 113.4 | N1474 H1475 M1480 I1481 | N1474-S1478 WeakPolarHBondContact O-CB 3.31Å; N1474-S1478 PolarHBondContact O-N 2.83Å; H1475-S1478 PolarHBondContact O-N 2.72Å; S1478-M1480 PolarHBondContact O-N 3.47Å; S1478-I1481 PolarHBondContact O-N 2.83Å; S1478-I1481 VanDerWaalsContact O-N 3.13Å |
| 1479 | V | 44.6 | Very low | 50.8 | Low | 120 Ų | 120 | 99.4 Ų | 99.4 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.8 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | H1475 D1477 | H1475-V1479 WeakPolarHBondContact O-CG2 3.33Å; H1475-V1479 PolarHBondContact O-N 2.83Å; D1477-V1479 PolarHBondContact O-N 3.1Å |
| 1480 | M | 39.5 | Very low | 48.8 | Very low | 145 Ų | 145 | 107.8 Ų | 107.8 | 71% | 0.714 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -11 | 171.7 | -82.1 | -78.7 | 171.9 | 0 | 0 | 114 | D1477 S1478 | D1477-M1480 PolarHBondContact O-N 3.29Å; S1478-M1480 PolarHBondContact O-N 3.47Å |
| 1481 | I | 40.7 | Very low | 46.7 | Very low | 140 Ų | 140 | 112 Ų | 112 | 72% | 0.718 | 61% | 0.609 | S | S | * | * | trans | -106.5 | 54.7 | 179.1 | -45.5 | 174.7 | 0 | 0 | 0 | 109.9 | S1478 | S1478-I1481 PolarHBondContact O-N 2.83Å; S1478-I1481 VanDerWaalsContact O-N 3.13Å | ||
| 1482 | D | 34.8 | Very low | 44.8 | Very low | 146 Ų | 146 | 116 Ų | 116 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | trans | -127.7 | 59.3 | 154.4 | -146.5 | 7.7 | 0 | 0 | 0 | 108.8 | ||||
| 1483 | R | 36 | Very low | 42.9 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | trans | -105.3 | 68.8 | 170.9 | -91.2 | -174.8 | 177.5 | 172 | 2.1 | 109.5 | S1485 | R1483-S1485 PolarHBondContact O-N 3.14Š| ||
| 1484 | S | 38.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -73 | 58.7 | 156.1 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1485 | S | 36.1 | Very low | 40.1 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | trans | -178.3 | 56.4 | 164.8 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | R1483 | R1483-S1485 PolarHBondContact O-N 3.14Š| ||
| 1486 | S | 34.9 | Very low | 39 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 51% | 0.51 | 71% | 0.714 | S | S | . | * | trans | -106.4 | 30.3 | 176.7 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1487 | E | 37.8 | Very low | 38.5 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 95% | 0.953 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 2.6 | 166.2 | -94 | -171.8 | 164.5 | 0 | 0 | 113.6 | ||
| 1488 | S | 41.7 | Very low | 38 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -0.7 | 174.9 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | F1490 | S1488-F1490 VanDerWaalsContact C-N 3.32Å; S1488-F1490 PolarHBondContact O-N 3.02Å |
| 1489 | M | 31.1 | Very low | 37.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 58% | 0.581 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -84.1 | -0.3 | -175.7 | -153 | 172.2 | 74.5 | 0 | 0 | 114.5 | N1491 | M1489-N1491 PolarHBondContact O-N 3.29Š|
| 1490 | F | 41.3 | Very low | 37.3 | Very low | 199 Ų | 199 | 132.8 Ų | 132.8 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -74.1 | -8.7 | 171.2 | -112.9 | -80.7 | 0 | 0 | 0 | 113.7 | S1488 | S1488-F1490 VanDerWaalsContact C-N 3.32Å; S1488-F1490 PolarHBondContact O-N 3.02Å |
| 1491 | N | 37 | Very low | 37.2 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -107.6 | 9 | -173.4 | -81.7 | -14.1 | 0 | 0 | 0 | 116.2 | M1489 | M1489-N1491 PolarHBondContact O-N 3.29Š|
| 1492 | I | 37.4 | Very low | 37 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | trans | -109.9 | 6 | -178.7 | -56.3 | 180 | 0 | 0 | 0 | 113.6 | H1494 | I1492-H1494 PolarHBondContact O-N 3.47Å; I1492-H1494 VanDerWaalsContact O-N 3.13Å | ||
| 1493 | M | 36.9 | Very low | 37.4 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 88% | 0.882 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 13.2 | 174 | -86.2 | -172.4 | 68.6 | 0 | 0 | 115.6 | ||
| 1494 | H | 35.5 | Very low | 37.6 | Very low | 178 Ų | 178 | 134 Ų | 134 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 8.7 | -177.6 | -101.9 | -57.6 | 0 | 0 | 0 | 118.3 | I1492 | I1492-H1494 PolarHBondContact O-N 3.47Å; I1492-H1494 VanDerWaalsContact O-N 3.13Å |
| 1495 | N | 34.8 | Very low | 37.8 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -122.1 | 95.9 | 173.9 | -86.2 | -14.9 | 0 | 0 | 0 | 112.5 | ||||
| 1496 | G | 32.5 | Very low | 37.9 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 163 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1497 | Q | 42.9 | Very low | 38.3 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 96% | 0.958 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 93.1 | 11.8 | 168.2 | -59.2 | -170.4 | -24.3 | 0 | 0 | 120.3 | ||
| 1498 | A | 36.3 | Very low | 38.7 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -120.3 | 3.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1499 | G | 36 | Very low | 38.9 | Very low | 46 Ų | 46 | 131.6 Ų | 131.6 | 47% | 0.474 | 69% | 0.692 | S | S | . | * | trans | -84.8 | -14.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1501 Y1502 | G1499-R1501 VanDerWaalsContact C-N 3.32Å; G1499-R1501 PolarHBondContact O-N 2.77Å; G1499-Y1502 PolarHBondContact O-N 2.89Å | ||
| 1500 | A | 41.5 | Very low | 39.6 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -68.3 | -27.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1501 | R | 37.4 | Very low | 40 | Very low | 218 Ų | 218 | 129.2 Ų | 129.2 | 82% | 0.823 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -84.5 | -14.2 | -179 | -127 | 177.9 | -172.5 | 164.9 | 1.4 | 114.5 | G1499 | G1499-R1501 VanDerWaalsContact C-N 3.32Å; G1499-R1501 PolarHBondContact O-N 2.77Å |
| 1502 | Y | 37.3 | Very low | 40.5 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 71% | 0.714 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -91.4 | -12.4 | 178.8 | -108.6 | -85.6 | 0 | 0 | 0 | 113 | G1499 | G1499-Y1502 PolarHBondContact O-N 2.89Å |
| 1503 | V | 41.9 | Very low | 41.3 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 46% | 0.461 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -84.8 | -39.8 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | E1505 K1506 E1507 | V1503-E1505 VanDerWaalsContact C-N 3.35Å; V1503-E1505 PolarHBondContact O-N 3.05Å; V1503-K1506 PolarHBondContact O-N 3.35Å; V1503-K1506 VanDerWaalsContact O-N 3.09Å; V1503-E1507 HydrophobicContact CG1-CG 4.37Å; V1503-E1507 PolarHBondContact O-N 3.23Å |
| 1504 | E | 41.5 | Very low | 42.5 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 66% | 0.659 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.1 | -33.9 | -179.9 | -69.4 | 178 | 173 | 0 | 0 | 113.4 | A1508 | E1504-A1508 WeakPolarHBondContact O-CB 3.28Å; E1504-A1508 PolarHBondContact O-N 2.85Å; E1504-A1508 VanDerWaalsContact O-N 3.16Å |
| 1505 | E | 41.7 | Very low | 44.3 | Very low | 144 Ų | 144 | 116.6 Ų | 116.6 | 67% | 0.673 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73 | -27.5 | 174.4 | -90.3 | 179.9 | 171.7 | 0 | 0 | 113.1 | V1503 T1509 | V1503-E1505 VanDerWaalsContact C-N 3.35Å; V1503-E1505 PolarHBondContact O-N 3.05Å; E1505-T1509 WeakPolarHBondContact O-CG2 2.91Å; E1505-T1509 PolarHBondContact O-N 2.87Å; E1505-T1509 PolarHBondContact O-OG1 2.85Å |
| 1506 | K | 38 | Very low | 46.4 | Very low | 147 Ų | 147 | 110.6 Ų | 110.6 | 64% | 0.639 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81 | -30 | 176 | -89.9 | -169.8 | 171.6 | -169 | 0 | 113.3 | V1503 T1509 R1510 | V1503-K1506 PolarHBondContact O-N 3.35Å; V1503-K1506 VanDerWaalsContact O-N 3.09Å; K1506-T1509 PolarHBondContact O-OG1 2.81Å; K1506-R1510 WeakPolarHBondContact O-CB 3.27Å; K1506-R1510 WeakPolarHBondContact O-CG 3.48Å; K1506-R1510 PolarHBondContact O-N 3.29Å; K1506-R1510 VanDerWaalsContact O-N 3.11Å |
| 1507 | E | 44.8 | Very low | 48.6 | Very low | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72 | -40.7 | 173.4 | -74.9 | 175 | 173.4 | 0 | 0 | 110.5 | V1503 T1509 R1510 D1511 | V1503-E1507 HydrophobicContact CG1-CG 4.37Å; V1503-E1507 PolarHBondContact O-N 3.23Å; E1507-T1509 PolarHBondContact O-N 3.15Å; E1507-R1510 PolarHBondContact O-N 2.87Å; E1507-D1511 WeakPolarHBondContact O-CB 3.5Å; E1507-D1511 VanDerWaalsContact O-CG 3.26Å; E1507-D1511 PolarHBondContact O-N 2.84Å |
| 1508 | A | 45.7 | Very low | 50.4 | Low | 60 Ų | 60 | 104.9 Ų | 104.9 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1504 | E1504-A1508 WeakPolarHBondContact O-CB 3.28Å; E1504-A1508 PolarHBondContact O-N 2.85Å; E1504-A1508 VanDerWaalsContact O-N 3.16Å |
| 1509 | T | 46 | Very low | 52.6 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.2 | -40.1 | 173.8 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | E1505 K1506 E1507 D1511 Q1512 E1513 | E1505-T1509 WeakPolarHBondContact O-CG2 2.91Å; E1505-T1509 PolarHBondContact O-N 2.87Å; E1505-T1509 PolarHBondContact O-OG1 2.85Å; K1506-T1509 PolarHBondContact O-OG1 2.81Å; E1507-T1509 PolarHBondContact O-N 3.15Å; T1509-D1511 PolarHBondContact O-N 3.47Å; T1509-Q1512 PolarHBondContact O-N 2.85Å; T1509-E1513 WeakPolarHBondContact CB-OE1 3.46Å; T1509-E1513 WeakPolarHBondContact O-CB 3.35Å; T1509-E1513 VanDerWaalsContact O-CD 3.31Å; T1509-E1513 WeakPolarHBondContact O-CG 3.48Å; T1509-E1513 PolarHBondContact O-N 3.41Å |
| 1510 | R | 45.2 | Very low | 54.8 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 175.7 | -84.3 | 178.2 | 143.2 | -169.7 | -8.8 | 113.4 | K1506 E1507 Q1512 E1513 D1514 | K1506-R1510 WeakPolarHBondContact O-CB 3.27Å; K1506-R1510 WeakPolarHBondContact O-CG 3.48Å; K1506-R1510 PolarHBondContact O-N 3.29Å; K1506-R1510 VanDerWaalsContact O-N 3.11Å; E1507-R1510 PolarHBondContact O-N 2.87Å; R1510-Q1512 VanDerWaalsContact C-N 3.28Å; R1510-Q1512 PolarHBondContact O-N 2.97Å; R1510-E1513 WeakPolarHBondContact O-CB 3.38Å; R1510-E1513 PolarHBondContact O-N 3.32Å; R1510-E1513 VanDerWaalsContact O-N 3.15Å; R1510-D1514 PolarHBondContact O-N 2.8Å |
| 1511 | D | 48.9 | Very low | 56.9 | Low | 117 Ų | 117 | 98.3 Ų | 98.3 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.8 | -36.1 | 178.3 | -73.4 | -18.4 | 0 | 0 | 0 | 111.8 | E1507 T1509 S1515 | E1507-D1511 WeakPolarHBondContact O-CB 3.5Å; E1507-D1511 VanDerWaalsContact O-CG 3.26Å; E1507-D1511 PolarHBondContact O-N 2.84Å; T1509-D1511 PolarHBondContact O-N 3.47Å; D1511-S1515 PolarHBondContact O-N 2.79Å |
| 1512 | Q | 49.5 | Very low | 59.2 | Low | 156 Ų | 156 | 88.1 Ų | 88.1 | 73% | 0.729 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -76.1 | -33.3 | 174.9 | -155.3 | 163.4 | -2.8 | 0 | 0 | 111.7 | T1509 R1510 S1515 | T1509-Q1512 PolarHBondContact O-N 2.85Å; R1510-Q1512 VanDerWaalsContact C-N 3.28Å; R1510-Q1512 PolarHBondContact O-N 2.97Å; Q1512-S1515 PolarHBondContact O-N 2.81Å |
| 1513 | E | 53.3 | Low | 61.5 | Low | 77 Ų | 77 | 80.1 Ų | 80.1 | 36% | 0.36 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 177.9 | -74.2 | 158.9 | -158.3 | 0 | 0 | 113 | Y1469 T1509 R1510 | Y1469-E1513 WeakPolarHBondContact OH-CA 3.22Å; Y1469-E1513 WeakPolarHBondContact OH-CB 3.37Å; Y1469-E1513 WeakPolarHBondContact OH-CG 3.34Å; Y1469-E1513 PolarHBondContact OH-O 3.44Å; T1509-E1513 WeakPolarHBondContact CB-OE1 3.46Å; T1509-E1513 WeakPolarHBondContact O-CB 3.35Å; T1509-E1513 VanDerWaalsContact O-CD 3.31Å; T1509-E1513 WeakPolarHBondContact O-CG 3.48Å; T1509-E1513 PolarHBondContact O-N 3.41Å; R1510-E1513 WeakPolarHBondContact O-CB 3.38Å; R1510-E1513 PolarHBondContact O-N 3.32Å; R1510-E1513 VanDerWaalsContact O-N 3.15Å |
| 1514 | D | 62.8 | Low | 63.7 | Low | 98 Ų | 98 | 77.9 Ų | 77.9 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.9 | -34.8 | 177.3 | -80.4 | -21.1 | 0 | 0 | 0 | 111.7 | R1510 F1516 L1517 L1518 | R1510-D1514 PolarHBondContact O-N 2.8Å; D1514-F1516 PolarHBondContact O-N 2.76Å; D1514-L1517 PolarHBondContact O-N 2.88Å; D1514-L1518 HydrophobicContact CB-CD1 4.48Å; D1514-L1518 VanDerWaalsContact O-CB 3.27Å; D1514-L1518 WeakPolarHBondContact O-CB 3.15Å; D1514-L1518 WeakPolarHBondContact O-CD1 3.43Å; D1514-L1518 WeakPolarHBondContact O-CG 3.31Å; D1514-L1518 PolarHBondContact O-N 3.47Å |
| 1515 | S | 72.2 | Confident | 65.8 | Low | 47 Ų | 47 | 75.1 Ų | 75.1 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | -179.6 | -171 | 0 | 0 | 0 | 0 | 113 | D1511 Q1512 K1519 | D1511-S1515 PolarHBondContact O-N 2.79Å; Q1512-S1515 PolarHBondContact O-N 2.81Å; S1515-K1519 VanDerWaalsContact O-CG 3.27Å; S1515-K1519 WeakPolarHBondContact O-CG 3.31Å; S1515-K1519 PolarHBondContact O-N 2.85Å |
| 1516 | F | 78.2 | Confident | 67.8 | Low | 33 Ų | 33 | 69.5 Ų | 69.5 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 179.9 | -178.5 | -98.3 | 0 | 0 | 0 | 111.8 | Y1445 Y1469 D1514 L1518 K1519 V1520 | Y1445-F1516 HydrophobicContact CD1-CE2 4.13Å; Y1445-F1516 AromaticContact CD2-CE2 3.94Å; Y1445-F1516 HydrophobicContact CD2-CE2 3.94Å; Y1445-F1516 HydrophobicContact CD2-CZ 4.21Å; Y1445-F1516 AromaticContact CG-CE2 3.68Å; Y1445-F1516 HydrophobicContact CG-CE2 3.68Å; Y1445-F1516 HydrophobicContact CG-CZ 4.07Å; Y1469-F1516 AromaticContact CD1-CD1 3.96Å; Y1469-F1516 HydrophobicContact CD1-CD1 3.96Å; Y1469-F1516 HydrophobicContact CD1-CE1 4.4Å; Y1469-F1516 AromaticContact CD2-CD1 3.72Å; Y1469-F1516 HydrophobicContact CD2-CD1 3.72Å; Y1469-F1516 AromaticContact CD2-CE1 3.85Å; Y1469-F1516 HydrophobicContact CD2-CE1 3.85Å; Y1469-F1516 HydrophobicContact CE1-CD1 4.16Å; Y1469-F1516 AromaticContact CE2-CD1 3.95Å; Y1469-F1516 HydrophobicContact CE2-CD1 3.95Å; Y1469-F1516 AromaticContact CG-CD1 3.73Å; Y1469-F1516 HydrophobicContact CG-CD1 3.73Å; Y1469-F1516 AromaticContact CG-CE1 3.8Å; Y1469-F1516 HydrophobicContact CG-CE1 3.8Å; D1514-F1516 PolarHBondContact O-N 2.76Å; F1516-L1518 PolarHBondContact O-N 3.28Å; F1516-K1519 PolarHBondContact O-N 3.44Å; F1516-V1520 HydrophobicContact CD1-CG2 4.21Å; F1516-V1520 HydrophobicContact CE1-CG2 3.83Å; F1516-V1520 HydrophobicContact CE2-CG2 4.47Å; F1516-V1520 HydrophobicContact CZ-CG2 3.98Å; F1516-V1520 WeakPolarHBondContact O-CG2 3.23Å; F1516-V1520 PolarHBondContact O-N 2.85Å |
| 1517 | L | 80 | Confident | 70.1 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 179.7 | -173.3 | 64.4 | 0 | 0 | 0 | 111.5 | K1466 D1514 K1519 V1520 N1521 | K1466-L1517 HydrophobicContact CD-CD1 4.28Å; K1466-L1517 HydrophobicContact CG-CD1 3.88Å; D1514-L1517 PolarHBondContact O-N 2.88Å; L1517-K1519 VanDerWaalsContact C-N 3.34Å; L1517-K1519 PolarHBondContact O-N 3.03Å; L1517-V1520 PolarHBondContact O-N 2.83Å; L1517-N1521 WeakPolarHBondContact O-CB 2.8Å; L1517-N1521 PolarHBondContact O-N 2.82Å; L1517-N1521 PolarHBondContact O-ND2 2.96Å; L1517-N1521 VanDerWaalsContact O-ND2 3.15Å |
| 1518 | L | 80.9 | Confident | 72 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.2 | -44.1 | 173.8 | -75.2 | 168.5 | 0 | 0 | 0 | 111.5 | D1514 F1516 N1521 A1522 | D1514-L1518 HydrophobicContact CB-CD1 4.48Å; D1514-L1518 VanDerWaalsContact O-CB 3.27Å; D1514-L1518 WeakPolarHBondContact O-CB 3.15Å; D1514-L1518 WeakPolarHBondContact O-CD1 3.43Å; D1514-L1518 WeakPolarHBondContact O-CG 3.31Å; D1514-L1518 PolarHBondContact O-N 3.47Å; F1516-L1518 PolarHBondContact O-N 3.28Å; L1518-N1521 PolarHBondContact O-N 2.94Å; L1518-A1522 WeakPolarHBondContact O-CB 3.45Å; L1518-A1522 PolarHBondContact O-N 3.31Å |
| 1519 | K | 81.8 | Confident | 73.7 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 176.8 | -74.9 | 172.5 | -177.4 | -176.6 | 0 | 112.1 | Y1445 S1515 F1516 L1517 N1521 A1522 Y1523 L1630 | Y1445-K1519 HydrophobicContact CE2-CB 4.4Å; S1515-K1519 VanDerWaalsContact O-CG 3.27Å; S1515-K1519 WeakPolarHBondContact O-CG 3.31Å; S1515-K1519 PolarHBondContact O-N 2.85Å; F1516-K1519 PolarHBondContact O-N 3.44Å; L1517-K1519 VanDerWaalsContact C-N 3.34Å; L1517-K1519 PolarHBondContact O-N 3.03Å; K1519-N1521 VanDerWaalsContact C-N 3.3Å; K1519-N1521 PolarHBondContact O-N 2.83Å; K1519-A1522 PolarHBondContact O-N 2.86Å; K1519-Y1523 VanDerWaalsContact O-CD2 3.27Å; K1519-Y1523 WeakPolarHBondContact O-CD2 3.15Å; K1519-Y1523 PolarHBondContact O-N 3.08Å; K1519-Y1523 VanDerWaalsContact O-N 3.14Å; K1519-L1630 HydrophobicContact CD-CD1 4.27Å |
| 1520 | V | 83.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | Y1445 F1462 K1466 F1516 L1517 Y1523 L1524 | Y1445-V1520 HydrophobicContact CD2-CG2 3.72Å; Y1445-V1520 HydrophobicContact CE2-CG2 4.06Å; F1462-V1520 HydrophobicContact CB-CG1 4.3Å; F1462-V1520 HydrophobicContact CD1-CG1 4.34Å; F1462-V1520 WeakPolarHBondContact O-CG1 3.31Å; K1466-V1520 HydrophobicContact CB-CG1 3.86Å; F1516-V1520 HydrophobicContact CD1-CG2 4.21Å; F1516-V1520 HydrophobicContact CE1-CG2 3.83Å; F1516-V1520 HydrophobicContact CE2-CG2 4.47Å; F1516-V1520 HydrophobicContact CZ-CG2 3.98Å; F1516-V1520 WeakPolarHBondContact O-CG2 3.23Å; F1516-V1520 PolarHBondContact O-N 2.85Å; L1517-V1520 PolarHBondContact O-N 2.83Å; V1520-Y1523 PolarHBondContact O-N 2.68Å; V1520-L1524 HydrophobicContact CG1-CD1 4.17Å; V1520-L1524 WeakPolarHBondContact O-CG 3.11Å; V1520-L1524 PolarHBondContact O-N 3.02Å |
| 1521 | N | 85.3 | Confident | 77.2 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 176.5 | -70 | -26 | 0 | 0 | 0 | 111.8 | K1466 L1517 L1518 K1519 Y1523 L1524 D1525 | K1466-N1521 VanDerWaalsContact CE-OD1 3.28Å; K1466-N1521 WeakPolarHBondContact CE-OD1 3.48Å; K1466-N1521 PolarHBondContact NZ-OD1 2.86Å; L1517-N1521 WeakPolarHBondContact O-CB 2.8Å; L1517-N1521 PolarHBondContact O-N 2.82Å; L1517-N1521 PolarHBondContact O-ND2 2.96Å; L1517-N1521 VanDerWaalsContact O-ND2 3.15Å; L1518-N1521 PolarHBondContact O-N 2.94Å; K1519-N1521 VanDerWaalsContact C-N 3.3Å; K1519-N1521 PolarHBondContact O-N 2.83Å; N1521-Y1523 VanDerWaalsContact C-N 3.28Å; N1521-Y1523 PolarHBondContact O-N 3.08Å; N1521-L1524 PolarHBondContact O-N 3.01Å; N1521-D1525 WeakPolarHBondContact O-CB 3.23Å; N1521-D1525 VanDerWaalsContact O-CG 3.24Å; N1521-D1525 PolarHBondContact O-N 3.3Å |
| 1522 | A | 84.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1518 K1519 D1525 W1526 I1623 N1626 V1627 | L1518-A1522 WeakPolarHBondContact O-CB 3.45Å; L1518-A1522 PolarHBondContact O-N 3.31Å; K1519-A1522 PolarHBondContact O-N 2.86Å; A1522-D1525 PolarHBondContact O-N 2.74Å; A1522-W1526 PolarHBondContact O-N 2.79Å; A1522-I1623 HydrophobicContact CB-CG2 4.42Å; A1522-I1623 WeakPolarHBondContact O-CG2 3.29Å; A1522-N1626 HydrophobicContact CB-CB 3.98Å; A1522-V1627 HydrophobicContact CB-CG2 3.93Å |
| 1523 | Y | 86.7 | Confident | 79.5 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.1 | -39.7 | 173.4 | -83.7 | -72.4 | 0 | 0 | 0 | 113.3 | Y1445 F1462 K1519 V1520 N1521 D1525 W1526 I1527 V1627 | Y1445-Y1523 HydrophobicContact CE2-CD2 4.18Å; Y1445-Y1523 HydrophobicContact CE2-CE2 4.14Å; F1462-Y1523 HydrophobicContact CD2-CG 4.43Å; F1462-Y1523 HydrophobicContact CE1-CD1 4.48Å; F1462-Y1523 AromaticContact CE1-CD2 3.77Å; F1462-Y1523 HydrophobicContact CE1-CD2 3.77Å; F1462-Y1523 HydrophobicContact CE1-CE2 4.35Å; F1462-Y1523 AromaticContact CE1-CG 3.84Å; F1462-Y1523 HydrophobicContact CE1-CG 3.84Å; F1462-Y1523 AromaticContact CE2-CD1 3.73Å; F1462-Y1523 HydrophobicContact CE2-CD1 3.73Å; F1462-Y1523 HydrophobicContact CE2-CD2 4.42Å; F1462-Y1523 HydrophobicContact CE2-CE1 4.47Å; F1462-Y1523 AromaticContact CE2-CG 3.69Å; F1462-Y1523 HydrophobicContact CE2-CG 3.69Å; F1462-Y1523 AromaticContact CZ-CD1 3.58Å; F1462-Y1523 HydrophobicContact CZ-CD1 3.58Å; F1462-Y1523 AromaticContact CZ-CD2 3.65Å; F1462-Y1523 HydrophobicContact CZ-CD2 3.65Å; F1462-Y1523 HydrophobicContact CZ-CE1 4.03Å; F1462-Y1523 HydrophobicContact CZ-CE2 4.12Å; F1462-Y1523 AromaticContact CZ-CG 3.36Å; F1462-Y1523 HydrophobicContact CZ-CG 3.36Å; K1519-Y1523 VanDerWaalsContact O-CD2 3.27Å; K1519-Y1523 WeakPolarHBondContact O-CD2 3.15Å; K1519-Y1523 PolarHBondContact O-N 3.08Å; K1519-Y1523 VanDerWaalsContact O-N 3.14Å; V1520-Y1523 PolarHBondContact O-N 2.68Å; N1521-Y1523 VanDerWaalsContact C-N 3.28Å; N1521-Y1523 PolarHBondContact O-N 3.08Å; Y1523-D1525 VanDerWaalsContact C-N 3.32Å; Y1523-W1526 AromaticContact CD1-CE3 3.78Å; Y1523-W1526 HydrophobicContact CD1-CE3 3.78Å; Y1523-W1526 HydrophobicContact CD1-CZ3 4.04Å; Y1523-W1526 AromaticContact CE1-CE3 3.99Å; Y1523-W1526 HydrophobicContact CE1-CE3 3.99Å; Y1523-W1526 AromaticContact CE1-CZ3 3.79Å; Y1523-W1526 HydrophobicContact CE1-CZ3 3.79Å; Y1523-W1526 WeakPolarHBondContact O-CB 3.45Å; Y1523-W1526 PolarHBondContact O-N 3.14Å; Y1523-I1527 VanDerWaalsContact O-CG1 3.31Å; Y1523-I1527 WeakPolarHBondContact O-CG1 3.42Å; Y1523-I1527 PolarHBondContact O-N 3.44Å; Y1523-I1527 VanDerWaalsContact O-N 3.09Å; Y1523-V1627 HydrophobicContact CD1-CG1 4.49Å; Y1523-V1627 HydrophobicContact CD2-CG2 4.44Å; Y1523-V1627 HydrophobicContact CE1-CG1 3.69Å; Y1523-V1627 HydrophobicContact CE2-CG1 3.88Å; Y1523-V1627 HydrophobicContact CE2-CG2 4.33Å; Y1523-V1627 VanDerWaalsContact OH-CG1 3.25Å; Y1523-V1627 WeakPolarHBondContact OH-CG1 3.33Å |
| 1524 | L | 87.2 | Confident | 79.9 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 175.4 | -71.8 | 171.7 | 0 | 0 | 0 | 111.5 | K1459 F1462 K1466 V1520 N1521 I1527 S1528 | K1459-L1524 HydrophobicContact CG-CD2 4.31Å; F1462-L1524 HydrophobicContact CB-CD2 3.75Å; F1462-L1524 HydrophobicContact CB-CG 4.06Å; K1466-L1524 HydrophobicContact CD-CD1 4.1Å; V1520-L1524 HydrophobicContact CG1-CD1 4.17Å; V1520-L1524 WeakPolarHBondContact O-CG 3.11Å; V1520-L1524 PolarHBondContact O-N 3.02Å; N1521-L1524 PolarHBondContact O-N 3.01Å; L1524-I1527 PolarHBondContact O-N 3.47Å; L1524-S1528 WeakPolarHBondContact O-CB 3.38Å; L1524-S1528 PolarHBondContact O-N 2.74Å |
| 1525 | D | 85.1 | Confident | 79.7 | Confident | 83 Ų | 83 | 41.3 Ų | 41.3 | 44% | 0.444 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 175.6 | -67.5 | -20.5 | 0 | 0 | 0 | 110.6 | N1521 A1522 Y1523 I1527 S1528 V1529 I1623 | N1521-D1525 WeakPolarHBondContact O-CB 3.23Å; N1521-D1525 VanDerWaalsContact O-CG 3.24Å; N1521-D1525 PolarHBondContact O-N 3.3Å; A1522-D1525 PolarHBondContact O-N 2.74Å; Y1523-D1525 VanDerWaalsContact C-N 3.32Å; D1525-I1527 VanDerWaalsContact C-N 3.33Å; D1525-I1527 PolarHBondContact O-N 2.92Å; D1525-S1528 WeakPolarHBondContact CA-OG 3.42Å; D1525-S1528 PolarHBondContact O-N 3.18Å; D1525-S1528 VanDerWaalsContact O-N 3.14Å; D1525-S1528 PolarHBondContact O-OG 3.26Å; D1525-V1529 WeakPolarHBondContact O-CG2 3.48Å; D1525-V1529 PolarHBondContact O-N 2.82Å; D1525-I1623 HydrophobicContact CB-CD1 3.92Å; D1525-I1623 HydrophobicContact CB-CG1 4.37Å |
| 1526 | W | 85.2 | Confident | 78.7 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.4 | -51.2 | 171.6 | -178.8 | 2.9 | 0 | 0 | 0 | 111.4 | A1522 Y1523 S1528 V1529 Q1530 L1566 I1568 L1571 I1623 | A1522-W1526 PolarHBondContact O-N 2.79Å; Y1523-W1526 AromaticContact CD1-CE3 3.78Å; Y1523-W1526 HydrophobicContact CD1-CE3 3.78Å; Y1523-W1526 HydrophobicContact CD1-CZ3 4.04Å; Y1523-W1526 AromaticContact CE1-CE3 3.99Å; Y1523-W1526 HydrophobicContact CE1-CE3 3.99Å; Y1523-W1526 AromaticContact CE1-CZ3 3.79Å; Y1523-W1526 HydrophobicContact CE1-CZ3 3.79Å; Y1523-W1526 WeakPolarHBondContact O-CB 3.45Å; Y1523-W1526 PolarHBondContact O-N 3.14Å; W1526-S1528 VanDerWaalsContact C-N 3.29Å; W1526-S1528 PolarHBondContact O-N 3.36Å; W1526-V1529 PolarHBondContact O-N 3.21Å; W1526-Q1530 PolarHBondContact O-N 3.11Å; W1526-L1566 WeakPolarHBondContact CZ2-O 3.33Å; W1526-L1566 PolarHBondContact NE1-O 2.74Å; W1526-I1568 HydrophobicContact CD2-CD1 4.14Å; W1526-I1568 HydrophobicContact CD2-CG1 3.9Å; W1526-I1568 HydrophobicContact CE3-CD1 4.2Å; W1526-I1568 HydrophobicContact CE3-CG1 4.35Å; W1526-I1568 HydrophobicContact CG-CG1 4.37Å; W1526-I1568 HydrophobicContact CH2-CG1 4.24Å; W1526-I1568 HydrophobicContact CZ2-CG1 3.77Å; W1526-I1568 HydrophobicContact CZ3-CD1 4.42Å; W1526-I1568 HydrophobicContact CZ3-CG1 4.49Å; W1526-L1571 VanDerWaalsContact NE1-CD1 3.27Å; W1526-I1623 HydrophobicContact CB-CG2 3.99Å |
| 1527 | I | 85.7 | Confident | 77.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 179.5 | -68.8 | 168.7 | 0 | 0 | 0 | 110.6 | L1455 R1458 K1459 F1462 Y1523 L1524 D1525 V1529 Q1530 E1531 | L1455-I1527 HydrophobicContact CD1-CB 4.31Å; L1455-I1527 HydrophobicContact CD1-CG1 3.97Å; L1455-I1527 HydrophobicContact CD1-CG2 3.91Å; L1455-I1527 HydrophobicContact CG-CG2 4.14Å; R1458-I1527 HydrophobicContact CB-CD1 4.28Å; R1458-I1527 HydrophobicContact CG-CD1 4.16Å; K1459-I1527 HydrophobicContact CB-CD1 4.26Å; K1459-I1527 HydrophobicContact CB-CG2 4.04Å; K1459-I1527 HydrophobicContact CD-CG2 3.99Å; K1459-I1527 HydrophobicContact CG-CG2 4.11Å; F1462-I1527 HydrophobicContact CD2-CD1 4.01Å; Y1523-I1527 VanDerWaalsContact O-CG1 3.31Å; Y1523-I1527 WeakPolarHBondContact O-CG1 3.42Å; Y1523-I1527 PolarHBondContact O-N 3.44Å; Y1523-I1527 VanDerWaalsContact O-N 3.09Å; L1524-I1527 PolarHBondContact O-N 3.47Å; D1525-I1527 VanDerWaalsContact C-N 3.33Å; D1525-I1527 PolarHBondContact O-N 2.92Å; I1527-V1529 VanDerWaalsContact C-N 3.35Å; I1527-V1529 PolarHBondContact O-N 3.27Å; I1527-Q1530 PolarHBondContact O-N 3.08Å; I1527-E1531 HydrophobicContact CG2-CG 4.44Å; I1527-E1531 WeakPolarHBondContact O-CG 3.39Å; I1527-E1531 PolarHBondContact O-N 3.43Å |
| 1528 | S | 84.8 | Confident | 75.8 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.1 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | L1524 D1525 W1526 E1531 L1532 | L1524-S1528 WeakPolarHBondContact O-CB 3.38Å; L1524-S1528 PolarHBondContact O-N 2.74Å; D1525-S1528 WeakPolarHBondContact CA-OG 3.42Å; D1525-S1528 PolarHBondContact O-N 3.18Å; D1525-S1528 VanDerWaalsContact O-N 3.14Å; D1525-S1528 PolarHBondContact O-OG 3.26Å; W1526-S1528 VanDerWaalsContact C-N 3.29Å; W1526-S1528 PolarHBondContact O-N 3.36Å; S1528-E1531 PolarHBondContact O-N 3.47Å; S1528-L1532 WeakPolarHBondContact O-CD1 3.45Å; S1528-L1532 WeakPolarHBondContact O-CG 3.27Å; S1528-L1532 PolarHBondContact O-N 3.46Å; S1528-L1532 VanDerWaalsContact O-N 3.09Å |
| 1529 | V | 81.4 | Confident | 74 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | D1525 W1526 I1527 L1532 R1616 T1619 L1620 | D1525-V1529 WeakPolarHBondContact O-CG2 3.48Å; D1525-V1529 PolarHBondContact O-N 2.82Å; W1526-V1529 PolarHBondContact O-N 3.21Å; I1527-V1529 VanDerWaalsContact C-N 3.35Å; I1527-V1529 PolarHBondContact O-N 3.27Å; V1529-L1532 PolarHBondContact O-N 3.21Å; V1529-R1616 HydrophobicContact CG1-CB 4.2Å; V1529-T1619 HydrophobicContact CG2-CG2 4.46Å; V1529-L1620 HydrophobicContact CB-CD2 4.15Å; V1529-L1620 HydrophobicContact CB-CG 4.47Å; V1529-L1620 HydrophobicContact CG1-CD1 3.84Å; V1529-L1620 HydrophobicContact CG1-CD2 3.89Å; V1529-L1620 HydrophobicContact CG1-CG 3.78Å |
| 1530 | Q | 82.8 | Confident | 72.1 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 174.7 | -177.9 | 173.4 | -16.3 | 0 | 0 | 112 | L1455 W1526 I1527 L1532 I1533 P1564 L1566 L1571 | L1455-Q1530 HydrophobicContact CD2-CB 4.49Å; L1455-Q1530 HydrophobicContact CD2-CG 4.02Å; W1526-Q1530 PolarHBondContact O-N 3.11Å; I1527-Q1530 PolarHBondContact O-N 3.08Å; Q1530-L1532 VanDerWaalsContact C-N 3.3Å; Q1530-L1532 PolarHBondContact O-N 3.42Å; Q1530-I1533 PolarHBondContact O-N 3.39Å; Q1530-P1564 PolarHBondContact NE2-O 2.97Å; Q1530-L1566 VanDerWaalsContact OE1-N 3.08Å; Q1530-L1571 HydrophobicContact CB-CD1 4.07Å; Q1530-L1571 HydrophobicContact CB-CD2 4.21Å; Q1530-L1571 HydrophobicContact CG-CD1 4.46Å; Q1530-L1571 HydrophobicContact CG-CD2 4Å |
| 1531 | E | 81.9 | Confident | 70 | Confident | 82 Ų | 82 | 61 Ų | 61 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.8 | -31 | 176.2 | -74.6 | 178.5 | 159 | 0 | 0 | 112.9 | L1455 K1459 I1527 S1528 I1533 | L1455-E1531 HydrophobicContact CD2-CG 3.98Å; K1459-E1531 WeakPolarHBondContact CD-OE1 3.37Å; K1459-E1531 IonicContact NZ-OE1 2.97Å; K1459-E1531 PolarHBondContact NZ-OE1 3.45Å; K1459-E1531 IonicContact NZ-OE2 3.21Å; K1459-E1531 PolarHBondContact NZ-OE2 3.36Å; I1527-E1531 HydrophobicContact CG2-CG 4.44Å; I1527-E1531 WeakPolarHBondContact O-CG 3.39Å; I1527-E1531 PolarHBondContact O-N 3.43Å; S1528-E1531 PolarHBondContact O-N 3.47Å; E1531-I1533 VanDerWaalsContact C-N 3.29Å; E1531-I1533 PolarHBondContact O-N 3.25Å |
| 1532 | L | 75.9 | Confident | 68.2 | Low | 101 Ų | 101 | 63.5 Ų | 63.5 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.2 | 177.6 | -81.3 | 155.4 | 0 | 0 | 0 | 114.2 | S1528 V1529 Q1530 R1616 | S1528-L1532 WeakPolarHBondContact O-CD1 3.45Å; S1528-L1532 WeakPolarHBondContact O-CG 3.27Å; S1528-L1532 PolarHBondContact O-N 3.46Å; S1528-L1532 VanDerWaalsContact O-N 3.09Å; V1529-L1532 PolarHBondContact O-N 3.21Å; Q1530-L1532 VanDerWaalsContact C-N 3.3Å; Q1530-L1532 PolarHBondContact O-N 3.42Å; L1532-R1616 PolarHBondContact O-NH1 3.09Å |
| 1533 | I | 71.1 | Confident | 66.5 | Low | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -92.7 | 107.3 | 177.5 | -65.4 | 166.1 | 0 | 0 | 0 | 108 | Q1530 E1531 L1535 L1571 F1578 | Q1530-I1533 PolarHBondContact O-N 3.39Å; E1531-I1533 VanDerWaalsContact C-N 3.29Å; E1531-I1533 PolarHBondContact O-N 3.25Å; I1533-L1535 PolarHBondContact O-N 3.37Å; I1533-L1571 HydrophobicContact CD1-CD2 3.94Å; I1533-F1578 HydrophobicContact CG2-CD2 4.4Å; I1533-F1578 HydrophobicContact CG2-CE2 3.72Å |
| 1534 | D | 62.1 | Low | 64.7 | Low | 90 Ų | 90 | 71.5 Ų | 71.5 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | trans | -76 | 93.8 | 177.3 | -159.6 | -2.1 | 0 | 0 | 0 | 110.1 | N1536 H1537 | D1534-N1536 PolarHBondContact O-N 2.69Å; D1534-N1536 PolarHBondContact OD1-ND2 2.71Å; D1534-H1537 PolarHBondContact O-N 2.68Å | ||
| 1535 | L | 57.3 | Low | 62.6 | Low | 52 Ų | 52 | 75 Ų | 75 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -59.8 | -13.9 | -179.9 | -71 | 166.4 | 0 | 0 | 0 | 113.4 | I1533 H1537 V1538 L1566 L1574 | I1533-L1535 PolarHBondContact O-N 3.37Å; L1535-H1537 PolarHBondContact O-N 2.99Å; L1535-V1538 PolarHBondContact O-N 3.29Å; L1535-L1566 HydrophobicContact CD1-CD1 4.41Å; L1535-L1566 HydrophobicContact CD2-CD1 4.25Å; L1535-L1574 HydrophobicContact CD2-CD1 4.44Å |
| 1536 | N | 50.8 | Low | 60.7 | Low | 106 Ų | 106 | 77.3 Ų | 77.3 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -64.7 | -19.6 | -179.7 | -66.8 | -37 | 0 | 0 | 0 | 114 | D1534 | D1534-N1536 PolarHBondContact O-N 2.69Å; D1534-N1536 PolarHBondContact OD1-ND2 2.71Å |
| 1537 | H | 50 | Low | 58.6 | Low | 157 Ų | 157 | 83.6 Ų | 83.6 | 73% | 0.727 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -89.4 | -5.8 | 179.5 | -98.6 | -83.2 | 0 | 0 | 0 | 114.8 | D1534 L1535 K1539 F1578 | D1534-H1537 PolarHBondContact O-N 2.68Å; L1535-H1537 PolarHBondContact O-N 2.99Å; H1537-K1539 PolarHBondContact O-N 3.44Å; H1537-K1539 VanDerWaalsContact O-N 3.11Å; H1537-F1578 HydrophobicContact CB-CE1 4.15Å |
| 1538 | V | 48 | Very low | 56.5 | Low | 37 Ų | 37 | 88.2 Ų | 88.2 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | trans | -85.5 | 82.9 | -179.5 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | L1535 S1540 F1578 | L1535-V1538 PolarHBondContact O-N 3.29Å; V1538-S1540 VanDerWaalsContact C-N 3.32Å; V1538-F1578 HydrophobicContact CG2-CE1 4.12Å; V1538-F1578 HydrophobicContact CG2-CE2 3.91Å; V1538-F1578 HydrophobicContact CG2-CZ 3.32Å | ||
| 1539 | K | 43.1 | Very low | 54.3 | Low | 200 Ų | 200 | 94.1 Ų | 94.1 | 87% | 0.87 | 48% | 0.484 | S | S | * | . | trans | -94.4 | 33.9 | 164 | -78.7 | -170.4 | 177.2 | -179.4 | 0 | 112.6 | H1537 | H1537-K1539 PolarHBondContact O-N 3.44Å; H1537-K1539 VanDerWaalsContact O-N 3.11Å | ||
| 1540 | S | 42.1 | Very low | 52.5 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | trans | -99.4 | 100.3 | 170.1 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | V1538 S1542 | V1538-S1540 VanDerWaalsContact C-N 3.32Å; S1540-S1542 PolarHBondContact O-N 2.77Å | ||
| 1541 | D | 39.1 | Very low | 50.5 | Low | 136 Ų | 136 | 106.4 Ų | 106.4 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 3.2 | 177.4 | -74.4 | -31.8 | 0 | 0 | 0 | 114.2 | D1545 | D1541-D1545 WeakPolarHBondContact O-CB 3.43Å; D1541-D1545 VanDerWaalsContact O-CG 3.3Å |
| 1542 | S | 46.9 | Very low | 48.2 | Very low | 93 Ų | 93 | 110 Ų | 110 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -17.5 | -171.2 | 66.7 | 0 | 0 | 0 | 0 | 116.4 | S1540 | S1540-S1542 PolarHBondContact O-N 2.77Š|
| 1543 | I | 49.4 | Very low | 46.7 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | -30.9 | -178.7 | -57.9 | 179.5 | 0 | 0 | 0 | 111.7 | N1577 | I1543-N1577 WeakPolarHBondContact CD1-ND2 3.07Š|
| 1544 | F | 48.5 | Very low | 45 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 48% | 0.482 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -16.4 | 178.9 | -70.1 | -75.6 | 0 | 0 | 0 | 113.9 | N1546 | F1544-N1546 VanDerWaalsContact C-N 3.34Å; F1544-N1546 PolarHBondContact O-N 2.68Å |
| 1545 | D | 43.1 | Very low | 44 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -16.9 | -175.4 | -97.7 | 2 | 0 | 0 | 0 | 115.2 | D1541 | D1541-D1545 WeakPolarHBondContact O-CB 3.43Å; D1541-D1545 VanDerWaalsContact O-CG 3.3Å |
| 1546 | N | 44.7 | Very low | 43.2 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -23.4 | 178.1 | -90.9 | -6.2 | 0 | 0 | 0 | 114.2 | F1544 | F1544-N1546 VanDerWaalsContact C-N 3.34Å; F1544-N1546 PolarHBondContact O-N 2.68Å |
| 1547 | N | 43.1 | Very low | 42.7 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -14.2 | 178.1 | -83.8 | 3.1 | 0 | 0 | 0 | 113.9 | ||
| 1548 | N | 40 | Very low | 42.5 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 54% | 0.54 | 68% | 0.684 | S | S | . | * | trans | -104.3 | 10.6 | -174.2 | -106.9 | -2.9 | 0 | 0 | 0 | 115.8 | N1550 N1551 | N1548-N1550 PolarHBondContact O-N 3.41Å; N1548-N1551 PolarHBondContact O-N 2.99Å | ||
| 1549 | K | 38.9 | Very low | 42.5 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 73% | 0.726 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -7.1 | 173.4 | -90.2 | 179.8 | -178.8 | 166.5 | 0 | 115.2 | ||
| 1550 | N | 43 | Very low | 42.7 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 0.1 | 176.8 | -78.8 | -5.1 | 0 | 0 | 0 | 116.1 | N1548 | N1548-N1550 PolarHBondContact O-N 3.41Š|
| 1551 | N | 41.3 | Very low | 43 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | trans | -123.9 | 78.2 | 179.9 | -77 | -25.2 | 0 | 0 | 0 | 112 | N1548 N1553 | N1548-N1551 PolarHBondContact O-N 2.99Å; N1551-N1553 VanDerWaalsContact C-N 3.27Å; N1551-N1553 PolarHBondContact O-N 2.79Å | ||
| 1552 | N | 34.6 | Very low | 43.8 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -70 | 82.2 | 163.4 | -79 | -30 | 0 | 0 | 0 | 109.6 | ||||
| 1553 | N | 44 | Very low | 44.6 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -147 | 103.4 | 161.4 | -88.4 | -29.9 | 0 | 0 | 0 | 109.3 | N1551 S1555 | N1551-N1553 VanDerWaalsContact C-N 3.27Å; N1551-N1553 PolarHBondContact O-N 2.79Å; N1553-S1555 PolarHBondContact O-N 3.11Å; N1553-S1555 VanDerWaalsContact O-N 3.13Å | ||
| 1554 | K | 34.2 | Very low | 45.8 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 98% | 0.983 | 69% | 0.691 | S | S | * | * | trans | -68.9 | 100 | 169 | -75.2 | 176.5 | 174.7 | 175.7 | 0 | 108.4 | ||||
| 1555 | S | 41.5 | Very low | 47 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -134.2 | 130.6 | 166 | 59 | 0 | 0 | 0 | 0 | 110.3 | N1553 D1557 | N1553-S1555 PolarHBondContact O-N 3.11Å; N1553-S1555 VanDerWaalsContact O-N 3.13Å; S1555-D1557 PolarHBondContact O-N 3.3Å; S1555-D1557 VanDerWaalsContact O-N 3.09Å | ||
| 1556 | D | 40.2 | Very low | 48.7 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | -40.7 | 97.1 | -175 | -63.3 | -46 | 0 | 0 | 0 | 115.7 | S1558 | D1556-S1558 PolarHBondContact O-N 2.9Š| ||
| 1557 | D | 40.4 | Very low | 50.5 | Low | 157 Ų | 157 | 124.2 Ų | 124.2 | 84% | 0.84 | 64% | 0.64 | S | S | * | * | trans | -96.7 | 27.7 | -173.5 | -137.8 | 6.2 | 0 | 0 | 0 | 114 | S1555 | S1555-D1557 PolarHBondContact O-N 3.3Å; S1555-D1557 VanDerWaalsContact O-N 3.09Å | ||
| 1558 | S | 45.5 | Very low | 52.3 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 80% | 0.797 | 60% | 0.601 | S | S | * | * | trans | -92.3 | 17.5 | -179.6 | 72.2 | 0 | 0 | 0 | 0 | 114.7 | D1556 M1560 | D1556-S1558 PolarHBondContact O-N 2.9Å; S1558-M1560 PolarHBondContact O-N 3.29Å | ||
| 1559 | N | 48.1 | Very low | 54.3 | Low | 107 Ų | 107 | 114.2 Ų | 114.2 | 57% | 0.572 | 59% | 0.588 | S | S | * | * | trans | -85.9 | 98.7 | 177.4 | -105.9 | -23.7 | 0 | 0 | 0 | 111.3 | R1561 Y1562 | N1559-R1561 PolarHBondContact O-N 2.85Å; N1559-Y1562 HydrophobicContact CB-CD2 3.64Å; N1559-Y1562 HydrophobicContact CB-CE2 3.8Å; N1559-Y1562 PolarHBondContact O-N 3.38Å; N1559-Y1562 VanDerWaalsContact O-N 3.08Å | ||
| 1560 | M | 47.5 | Very low | 56.3 | Low | 140 Ų | 140 | 108.6 Ų | 108.6 | 69% | 0.69 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -6.1 | 178.3 | -159 | 158.8 | 165.2 | 0 | 0 | 115.7 | S1558 | S1558-M1560 PolarHBondContact O-N 3.29Š|
| 1561 | R | 49.7 | Very low | 58.2 | Low | 226 Ų | 226 | 101.3 Ų | 101.3 | 85% | 0.853 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.3 | 174.7 | -82.3 | -172 | 177.9 | -174.5 | 0.3 | 114.6 | N1559 | N1559-R1561 PolarHBondContact O-N 2.85Š|
| 1562 | Y | 56 | Low | 60.2 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | trans | -110.1 | 71.8 | -178.8 | -55.6 | -84.1 | 0 | 0 | 0 | 110.1 | Y1454 N1559 P1564 | Y1454-Y1562 HydrophobicContact CD1-CD1 4.28Å; Y1454-Y1562 AromaticContact CE1-CD1 3.42Å; Y1454-Y1562 HydrophobicContact CE1-CD1 3.42Å; Y1454-Y1562 VanDerWaalsContact CE1-CD1 3.42Å; Y1454-Y1562 AromaticContact CE1-CE1 3.62Å; Y1454-Y1562 HydrophobicContact CE1-CE1 3.62Å; N1559-Y1562 HydrophobicContact CB-CD2 3.64Å; N1559-Y1562 HydrophobicContact CB-CE2 3.8Å; N1559-Y1562 PolarHBondContact O-N 3.38Å; N1559-Y1562 VanDerWaalsContact O-N 3.08Å; Y1562-P1564 WeakPolarHBondContact O-CD 3.41Å | ||
| 1563 | K | 63.5 | Low | 62.6 | Low | 67 Ų | 67 | 93 Ų | 93 | 29% | 0.291 | 48% | 0.476 | S | S | . | . | trans | -85.6 | 106.9 | 169.4 | -72.4 | -173.2 | 174.6 | -175.2 | 0 | 108.7 | L1455 | L1455-K1563 HydrophobicContact CB-CB 4.43Å; L1455-K1563 WeakPolarHBondContact CB-O 3.21Å; L1455-K1563 PolarHBondContact N-O 3.39Å | ||
| 1564 | P | 74.8 | Confident | 64.4 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -65 | 152.8 | 176.7 | 28 | -34.6 | 0 | 0 | 0 | 110.5 | Q1530 Y1562 L1566 | Q1530-P1564 PolarHBondContact NE2-O 2.97Å; Y1562-P1564 WeakPolarHBondContact O-CD 3.41Å; P1564-L1566 PolarHBondContact O-N 2.84Å |
| 1565 | V | 73.3 | Confident | 66.6 | Low | 22 Ų | 22 | 75.5 Ų | 75.5 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 119.1 | 177.2 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | F1452 L1455 | F1452-V1565 WeakPolarHBondContact O-CB 2.92Å; F1452-V1565 WeakPolarHBondContact O-CG2 3.2Å; F1452-V1565 PolarHBondContact O-N 3.12Å; F1452-V1565 VanDerWaalsContact O-N 3.14Å; L1455-V1565 HydrophobicContact CB-CG2 4.33Å; L1455-V1565 HydrophobicContact CD1-CG1 4.39Å; L1455-V1565 HydrophobicContact CD1-CG2 4.14Å |
| 1566 | L | 78.7 | Confident | 68.7 | Low | 22 Ų | 22 | 70.9 Ų | 70.9 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 140.9 | -176.3 | -66.9 | 173.4 | 0 | 0 | 0 | 110.2 | W1526 Q1530 L1535 P1564 V1570 L1571 L1574 | W1526-L1566 WeakPolarHBondContact CZ2-O 3.33Å; W1526-L1566 PolarHBondContact NE1-O 2.74Å; Q1530-L1566 VanDerWaalsContact OE1-N 3.08Å; L1535-L1566 HydrophobicContact CD1-CD1 4.41Å; L1535-L1566 HydrophobicContact CD2-CD1 4.25Å; P1564-L1566 PolarHBondContact O-N 2.84Å; L1566-V1570 HydrophobicContact CD2-CG1 4.34Å; L1566-L1571 HydrophobicContact CB-CD1 4.28Å; L1566-L1571 HydrophobicContact CB-CD2 3.85Å; L1566-L1571 HydrophobicContact CB-CG 3.83Å; L1566-L1571 HydrophobicContact CD1-CD2 3.72Å; L1566-L1571 HydrophobicContact CG-CD2 4.44Å; L1566-L1574 HydrophobicContact CD1-CD1 4.15Å |
| 1567 | S | 81.5 | Confident | 70.7 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 150.9 | 175.6 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | V1570 L1571 | S1567-V1570 PolarHBondContact O-N 2.91Å; S1567-V1570 VanDerWaalsContact O-N 3.13Å; S1567-V1570 VanDerWaalsContact OG-CG2 3.3Å; S1567-V1570 WeakPolarHBondContact OG-CG2 3.42Å; S1567-L1571 PolarHBondContact O-N 2.81Å |
| 1568 | I | 81.8 | Confident | 72.7 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.6 | -45.4 | 179.5 | -62.1 | 178.6 | 0 | 0 | 0 | 112.5 | W1526 V1570 L1571 V1572 L1620 I1623 L1624 | W1526-I1568 HydrophobicContact CD2-CD1 4.14Å; W1526-I1568 HydrophobicContact CD2-CG1 3.9Å; W1526-I1568 HydrophobicContact CE3-CD1 4.2Å; W1526-I1568 HydrophobicContact CE3-CG1 4.35Å; W1526-I1568 HydrophobicContact CG-CG1 4.37Å; W1526-I1568 HydrophobicContact CH2-CG1 4.24Å; W1526-I1568 HydrophobicContact CZ2-CG1 3.77Å; W1526-I1568 HydrophobicContact CZ3-CD1 4.42Å; W1526-I1568 HydrophobicContact CZ3-CG1 4.49Å; I1568-V1570 VanDerWaalsContact C-N 3.29Å; I1568-V1570 PolarHBondContact O-N 3.04Å; I1568-L1571 PolarHBondContact O-N 3.04Å; I1568-L1571 VanDerWaalsContact O-N 3.16Å; I1568-V1572 HydrophobicContact CG2-CG2 4.22Å; I1568-V1572 WeakPolarHBondContact O-CG2 3.35Å; I1568-V1572 PolarHBondContact O-N 2.84Å; I1568-L1620 HydrophobicContact CG2-CB 3.95Å; I1568-L1620 HydrophobicContact CG2-CD2 4.41Å; I1568-L1620 WeakPolarHBondContact CG2-O 3.43Å; I1568-I1623 HydrophobicContact CD1-CG2 4.18Å; I1568-L1624 HydrophobicContact CB-CD1 4.43Å; I1568-L1624 HydrophobicContact CD1-CB 3.97Å; I1568-L1624 HydrophobicContact CD1-CD1 3.97Å; I1568-L1624 HydrophobicContact CG2-CB 4.17Å |
| 1569 | P | 81.5 | Confident | 74.5 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | 177.6 | -25.2 | 34.7 | 0 | 0 | 0 | 113.7 | R1573 V1649 L1653 | P1569-R1573 WeakPolarHBondContact O-CG 3.37Å; P1569-R1573 PolarHBondContact O-N 2.89Å; P1569-R1573 VanDerWaalsContact O-N 3.1Å; P1569-V1649 HydrophobicContact CG-CG1 4.03Å; P1569-L1653 HydrophobicContact CB-CD1 3.91Å; P1569-L1653 HydrophobicContact CB-CD2 4.23Å; P1569-L1653 HydrophobicContact CG-CD1 4.06Å |
| 1570 | V | 81.3 | Confident | 76.1 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 30% | 0.297 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | L1566 S1567 I1568 V1572 R1573 L1574 | L1566-V1570 HydrophobicContact CD2-CG1 4.34Å; S1567-V1570 PolarHBondContact O-N 2.91Å; S1567-V1570 VanDerWaalsContact O-N 3.13Å; S1567-V1570 VanDerWaalsContact OG-CG2 3.3Å; S1567-V1570 WeakPolarHBondContact OG-CG2 3.42Å; I1568-V1570 VanDerWaalsContact C-N 3.29Å; I1568-V1570 PolarHBondContact O-N 3.04Å; V1570-V1572 PolarHBondContact O-N 2.92Å; V1570-R1573 PolarHBondContact O-N 2.88Å; V1570-L1574 HydrophobicContact CG1-CD1 3.9Å; V1570-L1574 HydrophobicContact CG1-CG 4.35Å; V1570-L1574 WeakPolarHBondContact O-CB 3.4Å; V1570-L1574 VanDerWaalsContact O-CG 3.29Å; V1570-L1574 WeakPolarHBondContact O-CG 2.94Å; V1570-L1574 PolarHBondContact O-N 3.42Å |
| 1571 | L | 82.5 | Confident | 77.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 178.1 | -69.9 | 170.7 | 0 | 0 | 0 | 112.6 | W1526 Q1530 I1533 L1566 S1567 I1568 L1574 S1575 L1620 | W1526-L1571 VanDerWaalsContact NE1-CD1 3.27Å; Q1530-L1571 HydrophobicContact CB-CD1 4.07Å; Q1530-L1571 HydrophobicContact CB-CD2 4.21Å; Q1530-L1571 HydrophobicContact CG-CD1 4.46Å; Q1530-L1571 HydrophobicContact CG-CD2 4Å; I1533-L1571 HydrophobicContact CD1-CD2 3.94Å; L1566-L1571 HydrophobicContact CB-CD1 4.28Å; L1566-L1571 HydrophobicContact CB-CD2 3.85Å; L1566-L1571 HydrophobicContact CB-CG 3.83Å; L1566-L1571 HydrophobicContact CD1-CD2 3.72Å; L1566-L1571 HydrophobicContact CG-CD2 4.44Å; S1567-L1571 PolarHBondContact O-N 2.81Å; I1568-L1571 PolarHBondContact O-N 3.04Å; I1568-L1571 VanDerWaalsContact O-N 3.16Å; L1571-L1574 PolarHBondContact O-N 3.44Å; L1571-S1575 WeakPolarHBondContact O-CB 3.35Å; L1571-S1575 PolarHBondContact O-N 2.81Å; L1571-S1575 PolarHBondContact O-OG 2.99Å; L1571-L1620 HydrophobicContact CB-CD1 3.58Å; L1571-L1620 HydrophobicContact CB-CD2 4.31Å; L1571-L1620 HydrophobicContact CD1-CD2 4.09Å |
| 1572 | V | 84.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 174.6 | 167.3 | 0 | 0 | 0 | 0 | 111 | I1568 V1570 L1574 S1575 V1576 A1617 L1620 I1621 L1653 I1657 | I1568-V1572 HydrophobicContact CG2-CG2 4.22Å; I1568-V1572 WeakPolarHBondContact O-CG2 3.35Å; I1568-V1572 PolarHBondContact O-N 2.84Å; V1570-V1572 PolarHBondContact O-N 2.92Å; V1572-L1574 VanDerWaalsContact C-N 3.35Å; V1572-L1574 PolarHBondContact O-N 2.84Å; V1572-S1575 PolarHBondContact O-N 3.2Å; V1572-S1575 PolarHBondContact O-OG 3.38Å; V1572-V1576 WeakPolarHBondContact O-CG2 3.49Å; V1572-V1576 PolarHBondContact O-N 2.84Å; V1572-V1576 VanDerWaalsContact O-N 3.12Å; V1572-A1617 HydrophobicContact CG1-CB 4.28Å; V1572-L1620 HydrophobicContact CG2-CB 3.69Å; V1572-L1620 HydrophobicContact CG2-CD1 4.08Å; V1572-I1621 HydrophobicContact CG2-CG1 4.39Å; V1572-L1653 HydrophobicContact CB-CD2 4.32Å; V1572-L1653 HydrophobicContact CG1-CB 4.35Å; V1572-L1653 HydrophobicContact CG1-CD2 3.99Å; V1572-I1657 HydrophobicContact CG1-CD1 3.8Å; V1572-I1657 HydrophobicContact CG1-CG1 3.91Å |
| 1573 | R | 83.3 | Confident | 80.3 | Confident | 104 Ų | 104 | 34 Ų | 34 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65 | -40.6 | 178.3 | -70.1 | 179.4 | -173.1 | -81.2 | 2.6 | 111.6 | P1569 V1570 N1577 L1653 Y1656 | P1569-R1573 WeakPolarHBondContact O-CG 3.37Å; P1569-R1573 PolarHBondContact O-N 2.89Å; P1569-R1573 VanDerWaalsContact O-N 3.1Å; V1570-R1573 PolarHBondContact O-N 2.88Å; R1573-N1577 VanDerWaalsContact O-CB 3.28Å; R1573-N1577 WeakPolarHBondContact O-CB 3.42Å; R1573-N1577 PolarHBondContact O-N 2.76Å; R1573-N1577 PolarHBondContact O-ND2 2.9Å; R1573-N1577 PolarHBondContact O-OD1 2.89Å; R1573-L1653 HydrophobicContact CG-CD2 4.44Å; R1573-Y1656 HydrophobicContact CB-CE1 4.46Å; R1573-Y1656 HydrophobicContact CG-CD1 4.46Å; R1573-Y1656 HydrophobicContact CG-CE1 4.02Å |
| 1574 | L | 82.1 | Confident | 81 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.8 | -74.9 | 172.3 | 0 | 0 | 0 | 111.8 | L1535 L1566 V1570 L1571 V1572 V1576 N1577 F1578 | L1535-L1574 HydrophobicContact CD2-CD1 4.44Å; L1566-L1574 HydrophobicContact CD1-CD1 4.15Å; V1570-L1574 HydrophobicContact CG1-CD1 3.9Å; V1570-L1574 HydrophobicContact CG1-CG 4.35Å; V1570-L1574 WeakPolarHBondContact O-CB 3.4Å; V1570-L1574 VanDerWaalsContact O-CG 3.29Å; V1570-L1574 WeakPolarHBondContact O-CG 2.94Å; V1570-L1574 PolarHBondContact O-N 3.42Å; L1571-L1574 PolarHBondContact O-N 3.44Å; V1572-L1574 VanDerWaalsContact C-N 3.35Å; V1572-L1574 PolarHBondContact O-N 2.84Å; L1574-V1576 VanDerWaalsContact C-N 3.35Å; L1574-V1576 PolarHBondContact O-N 2.96Å; L1574-N1577 PolarHBondContact O-N 2.82Å; L1574-F1578 WeakPolarHBondContact O-CD2 3.46Å; L1574-F1578 PolarHBondContact O-N 3.41Å |
| 1575 | S | 81.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | -178.9 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | L1571 V1572 F1578 A1579 H1613 A1617 | L1571-S1575 WeakPolarHBondContact O-CB 3.35Å; L1571-S1575 PolarHBondContact O-N 2.81Å; L1571-S1575 PolarHBondContact O-OG 2.99Å; V1572-S1575 PolarHBondContact O-N 3.2Å; V1572-S1575 PolarHBondContact O-OG 3.38Å; S1575-F1578 PolarHBondContact O-N 2.89Å; S1575-A1579 PolarHBondContact O-N 2.75Å; S1575-H1613 WeakPolarHBondContact O-CB 3.35Å; S1575-A1617 WeakPolarHBondContact OG-CB 3.36Å |
| 1576 | V | 85.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 175.3 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | V1572 L1574 F1578 A1579 I1580 F1614 A1617 Y1656 I1657 Q1660 | V1572-V1576 WeakPolarHBondContact O-CG2 3.49Å; V1572-V1576 PolarHBondContact O-N 2.84Å; V1572-V1576 VanDerWaalsContact O-N 3.12Å; L1574-V1576 VanDerWaalsContact C-N 3.35Å; L1574-V1576 PolarHBondContact O-N 2.96Å; V1576-F1578 VanDerWaalsContact C-N 3.28Å; V1576-F1578 PolarHBondContact O-N 2.94Å; V1576-A1579 WeakPolarHBondContact O-CB 3.26Å; V1576-A1579 PolarHBondContact O-N 2.95Å; V1576-I1580 HydrophobicContact CG1-CD1 3.91Å; V1576-I1580 HydrophobicContact CG1-CG1 4.42Å; V1576-I1580 WeakPolarHBondContact O-CG1 3.4Å; V1576-I1580 PolarHBondContact O-N 2.99Å; V1576-F1614 HydrophobicContact CG1-CE1 4.25Å; V1576-F1614 HydrophobicContact CG1-CZ 4.06Å; V1576-F1614 HydrophobicContact CG2-CE1 4.3Å; V1576-A1617 HydrophobicContact CG2-CB 4.08Å; V1576-Y1656 HydrophobicContact CB-CE1 3.94Å; V1576-Y1656 HydrophobicContact CG1-CE1 3.84Å; V1576-Y1656 HydrophobicContact CG2-CE1 4.22Å; V1576-I1657 HydrophobicContact CG2-CG1 3.85Å; V1576-Q1660 HydrophobicContact CG1-CB 3.45Å; V1576-Q1660 VanDerWaalsContact CG1-CB 3.45Å; V1576-Q1660 HydrophobicContact CG1-CG 3.66Å |
| 1577 | N | 82.1 | Confident | 80.8 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -33.6 | 179.1 | -72.2 | -11.4 | 0 | 0 | 0 | 112.8 | I1543 R1573 L1574 I1580 S1581 Y1656 | I1543-N1577 WeakPolarHBondContact CD1-ND2 3.07Å; R1573-N1577 VanDerWaalsContact O-CB 3.28Å; R1573-N1577 WeakPolarHBondContact O-CB 3.42Å; R1573-N1577 PolarHBondContact O-N 2.76Å; R1573-N1577 PolarHBondContact O-ND2 2.9Å; R1573-N1577 PolarHBondContact O-OD1 2.89Å; L1574-N1577 PolarHBondContact O-N 2.82Å; N1577-I1580 PolarHBondContact O-N 2.8Å; N1577-S1581 WeakPolarHBondContact O-CB 3.32Å; N1577-S1581 PolarHBondContact O-N 3.16Å; N1577-Y1656 PolarHBondContact OD1-OH 3.22Å |
| 1578 | F | 82 | Confident | 80.2 | Confident | 36 Ų | 36 | 37 Ų | 37 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 171.7 | -87 | -65 | 0 | 0 | 0 | 111.8 | I1533 H1537 V1538 L1574 S1575 V1576 I1580 S1581 L1582 | I1533-F1578 HydrophobicContact CG2-CD2 4.4Å; I1533-F1578 HydrophobicContact CG2-CE2 3.72Å; H1537-F1578 HydrophobicContact CB-CE1 4.15Å; V1538-F1578 HydrophobicContact CG2-CE1 4.12Å; V1538-F1578 HydrophobicContact CG2-CE2 3.91Å; V1538-F1578 HydrophobicContact CG2-CZ 3.32Å; L1574-F1578 WeakPolarHBondContact O-CD2 3.46Å; L1574-F1578 PolarHBondContact O-N 3.41Å; S1575-F1578 PolarHBondContact O-N 2.89Å; V1576-F1578 VanDerWaalsContact C-N 3.28Å; V1576-F1578 PolarHBondContact O-N 2.94Å; F1578-I1580 VanDerWaalsContact C-N 3.34Å; F1578-I1580 PolarHBondContact O-N 2.77Å; F1578-S1581 PolarHBondContact O-N 3.21Å; F1578-L1582 PolarHBondContact O-N 3.1Å |
| 1579 | A | 83.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1575 V1576 L1582 N1583 M1610 H1613 F1614 M1664 | S1575-A1579 PolarHBondContact O-N 2.75Å; V1576-A1579 WeakPolarHBondContact O-CB 3.26Å; V1576-A1579 PolarHBondContact O-N 2.95Å; A1579-L1582 WeakPolarHBondContact O-CB 3.35Å; A1579-L1582 PolarHBondContact O-N 2.69Å; A1579-N1583 PolarHBondContact O-N 2.89Å; A1579-M1610 HydrophobicContact CB-CB 4.45Å; A1579-H1613 HydrophobicContact CB-CB 3.94Å; A1579-F1614 HydrophobicContact CB-CD2 3.66Å; A1579-F1614 HydrophobicContact CB-CE2 3.41Å; A1579-F1614 VanDerWaalsContact CB-CE2 3.41Å; A1579-M1664 HydrophobicContact CB-CE 4.39Å; A1579-M1664 WeakPolarHBondContact O-CE 3.31Å |
| 1580 | I | 81.4 | Confident | 78.6 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 175.9 | -63.5 | 166.4 | 0 | 0 | 0 | 110.6 | V1576 N1577 F1578 L1582 N1583 E1584 Q1660 M1664 | V1576-I1580 HydrophobicContact CG1-CD1 3.91Å; V1576-I1580 HydrophobicContact CG1-CG1 4.42Å; V1576-I1580 WeakPolarHBondContact O-CG1 3.4Å; V1576-I1580 PolarHBondContact O-N 2.99Å; N1577-I1580 PolarHBondContact O-N 2.8Å; F1578-I1580 VanDerWaalsContact C-N 3.34Å; F1578-I1580 PolarHBondContact O-N 2.77Å; I1580-L1582 VanDerWaalsContact C-N 3.28Å; I1580-L1582 PolarHBondContact O-N 2.95Å; I1580-N1583 WeakPolarHBondContact O-CB 2.82Å; I1580-N1583 PolarHBondContact O-N 2.93Å; I1580-N1583 VanDerWaalsContact O-N 3.13Å; I1580-E1584 PolarHBondContact O-N 3.09Å; I1580-Q1660 HydrophobicContact CD1-CB 4.1Å; I1580-Q1660 HydrophobicContact CD1-CG 4.01Å; I1580-Q1660 VanDerWaalsContact CD1-OE1 3.25Å; I1580-M1664 HydrophobicContact CG1-SD 3.86Å |
| 1581 | S | 80.2 | Confident | 77.5 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | N1577 F1578 A1585 | N1577-S1581 WeakPolarHBondContact O-CB 3.32Å; N1577-S1581 PolarHBondContact O-N 3.16Å; F1578-S1581 PolarHBondContact O-N 3.21Å; S1581-A1585 WeakPolarHBondContact O-CB 3.49Å; S1581-A1585 PolarHBondContact O-N 3.34Å |
| 1582 | L | 79.4 | Confident | 76.4 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 173.3 | -98.9 | 139.1 | 0 | 0 | 0 | 111.2 | F1578 A1579 I1580 A1585 I1586 E1609 M1610 | F1578-L1582 PolarHBondContact O-N 3.1Å; A1579-L1582 WeakPolarHBondContact O-CB 3.35Å; A1579-L1582 PolarHBondContact O-N 2.69Å; I1580-L1582 VanDerWaalsContact C-N 3.28Å; I1580-L1582 PolarHBondContact O-N 2.95Å; L1582-A1585 PolarHBondContact O-N 3.5Å; L1582-I1586 VanDerWaalsContact O-CD1 3.31Å; L1582-I1586 WeakPolarHBondContact O-CD1 3.19Å; L1582-I1586 WeakPolarHBondContact O-CG1 3.48Å; L1582-I1586 PolarHBondContact O-N 2.58Å; L1582-E1609 HydrophobicContact CD1-CG 4.31Å; L1582-M1610 HydrophobicContact CB-CG 4.04Å |
| 1583 | N | 81.4 | Confident | 74.9 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 179.3 | -171.3 | 42.8 | 0 | 0 | 0 | 112.7 | A1579 I1580 A1585 I1586 K1587 M1610 M1664 | A1579-N1583 PolarHBondContact O-N 2.89Å; I1580-N1583 WeakPolarHBondContact O-CB 2.82Å; I1580-N1583 PolarHBondContact O-N 2.93Å; I1580-N1583 VanDerWaalsContact O-N 3.13Å; N1583-A1585 VanDerWaalsContact C-N 3.34Å; N1583-A1585 PolarHBondContact O-N 3.16Å; N1583-I1586 PolarHBondContact O-N 3.19Å; N1583-K1587 WeakPolarHBondContact O-CG 3.25Å; N1583-K1587 PolarHBondContact O-N 2.68Å; N1583-M1610 HydrophobicContact CB-CE 4.06Å; N1583-M1610 HydrophobicContact CB-SD 4.14Å; N1583-M1664 HydrophobicContact CB-CE 3.36Å; N1583-M1664 HydrophobicContact CB-SD 4.35Å; N1583-M1664 PolarHBondContact ND2-O 2.84Å |
| 1584 | E | 79 | Confident | 73.5 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 176 | -69.1 | -58.6 | 129.4 | 0 | 0 | 111.9 | I1580 I1586 K1587 I1588 | I1580-E1584 PolarHBondContact O-N 3.09Å; E1584-I1586 VanDerWaalsContact C-N 3.32Å; E1584-I1586 PolarHBondContact O-N 2.81Å; E1584-K1587 PolarHBondContact O-N 3.06Å; E1584-K1587 IonicContact OE1-NZ 2.67Å; E1584-K1587 PolarHBondContact OE1-NZ 3.14Å; E1584-I1588 WeakPolarHBondContact O-CD1 3.35Å; E1584-I1588 VanDerWaalsContact O-CG1 3.26Å; E1584-I1588 WeakPolarHBondContact O-CG1 3.48Å; E1584-I1588 PolarHBondContact O-N 3.32Å |
| 1585 | A | 75.7 | Confident | 72.1 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | S1581 L1582 N1583 I1588 D1589 | S1581-A1585 WeakPolarHBondContact O-CB 3.49Å; S1581-A1585 PolarHBondContact O-N 3.34Å; L1582-A1585 PolarHBondContact O-N 3.5Å; N1583-A1585 VanDerWaalsContact C-N 3.34Å; N1583-A1585 PolarHBondContact O-N 3.16Å; A1585-I1588 PolarHBondContact O-N 3.03Å; A1585-D1589 WeakPolarHBondContact O-CB 3.31Å; A1585-D1589 PolarHBondContact O-N 2.76Å |
| 1586 | I | 73.3 | Confident | 70.4 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 176.6 | -65.3 | 157.9 | 0 | 0 | 0 | 111.1 | L1582 N1583 E1584 I1588 D1589 R1590 H1606 M1610 | L1582-I1586 VanDerWaalsContact O-CD1 3.31Å; L1582-I1586 WeakPolarHBondContact O-CD1 3.19Å; L1582-I1586 WeakPolarHBondContact O-CG1 3.48Å; L1582-I1586 PolarHBondContact O-N 2.58Å; N1583-I1586 PolarHBondContact O-N 3.19Å; E1584-I1586 VanDerWaalsContact C-N 3.32Å; E1584-I1586 PolarHBondContact O-N 2.81Å; I1586-I1588 VanDerWaalsContact C-N 3.34Å; I1586-I1588 PolarHBondContact O-N 3.46Å; I1586-D1589 PolarHBondContact O-N 2.96Å; I1586-R1590 WeakPolarHBondContact O-CG 3.28Å; I1586-R1590 PolarHBondContact O-N 3.21Å; I1586-H1606 HydrophobicContact CD1-CB 3.55Å; I1586-H1606 HydrophobicContact CG1-CB 4.41Å; I1586-M1610 HydrophobicContact CD1-SD 3.94Å |
| 1587 | K | 73.7 | Confident | 68.7 | Low | 44 Ų | 44 | 85.3 Ų | 85.3 | 19% | 0.191 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.6 | -72.7 | 178.8 | -172.6 | 172.3 | 0 | 111.9 | N1583 E1584 R1590 H1591 E1666 | N1583-K1587 WeakPolarHBondContact O-CG 3.25Å; N1583-K1587 PolarHBondContact O-N 2.68Å; E1584-K1587 PolarHBondContact O-N 3.06Å; E1584-K1587 IonicContact OE1-NZ 2.67Å; E1584-K1587 PolarHBondContact OE1-NZ 3.14Å; K1587-R1590 PolarHBondContact O-N 2.85Å; K1587-H1591 PolarHBondContact O-N 3.01Å; K1587-H1591 VanDerWaalsContact O-N 3.08Å; K1587-E1666 IonicContact NZ-OE1 3.29Å |
| 1588 | I | 68.7 | Low | 67 | Low | 102 Ų | 102 | 91.2 Ų | 91.2 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 176.2 | -66.6 | 164.3 | 0 | 0 | 0 | 110.8 | E1584 A1585 I1586 H1591 L1592 | E1584-I1588 WeakPolarHBondContact O-CD1 3.35Å; E1584-I1588 VanDerWaalsContact O-CG1 3.26Å; E1584-I1588 WeakPolarHBondContact O-CG1 3.48Å; E1584-I1588 PolarHBondContact O-N 3.32Å; A1585-I1588 PolarHBondContact O-N 3.03Å; I1586-I1588 VanDerWaalsContact C-N 3.34Å; I1586-I1588 PolarHBondContact O-N 3.46Å; I1588-H1591 PolarHBondContact O-N 3.34Å; I1588-L1592 HydrophobicContact CG2-CD1 4.06Å; I1588-L1592 WeakPolarHBondContact O-CG 3.28Å; I1588-L1592 PolarHBondContact O-N 3.44Å |
| 1589 | D | 63.1 | Low | 65.3 | Low | 89 Ų | 89 | 95.7 Ų | 95.7 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178.3 | -166.5 | 41.8 | 0 | 0 | 0 | 111.9 | A1585 I1586 H1591 L1592 N1593 | A1585-D1589 WeakPolarHBondContact O-CB 3.31Å; A1585-D1589 PolarHBondContact O-N 2.76Å; I1586-D1589 PolarHBondContact O-N 2.96Å; D1589-H1591 VanDerWaalsContact C-N 3.31Å; D1589-H1591 PolarHBondContact O-N 3.36Å; D1589-L1592 PolarHBondContact O-N 2.7Å; D1589-N1593 PolarHBondContact O-N 2.79Å; D1589-N1593 PolarHBondContact O-ND2 2.9Å; D1589-N1593 VanDerWaalsContact O-ND2 3.14Å; D1589-N1593 PolarHBondContact OD1-ND2 3.25Å |
| 1590 | R | 66 | Low | 63.6 | Low | 149 Ų | 149 | 101.5 Ų | 101.5 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 172.2 | -73.1 | 179.7 | -171 | -178.8 | 4.3 | 112.4 | I1586 K1587 L1592 N1593 D1603 | I1586-R1590 WeakPolarHBondContact O-CG 3.28Å; I1586-R1590 PolarHBondContact O-N 3.21Å; K1587-R1590 PolarHBondContact O-N 2.85Å; R1590-L1592 VanDerWaalsContact C-N 3.3Å; R1590-L1592 PolarHBondContact O-N 2.94Å; R1590-N1593 PolarHBondContact O-N 3.07Å; R1590-D1603 IonicContact CZ-OD1 3.92Å; R1590-D1603 IonicContact NE-OD1 2.94Å; R1590-D1603 IonicContact NH2-OD1 2.95Å; R1590-D1603 PolarHBondContact NH2-OD1 3.45Å; R1590-D1603 IonicContact NH2-OD2 3.84Å |
| 1591 | H | 59.3 | Low | 62.3 | Low | 163 Ų | 163 | 104.4 Ų | 104.4 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -72 | -21.8 | 179.9 | -121.1 | -59.4 | 0 | 0 | 0 | 113.9 | K1587 I1588 D1589 | K1587-H1591 PolarHBondContact O-N 3.01Å; K1587-H1591 VanDerWaalsContact O-N 3.08Å; I1588-H1591 PolarHBondContact O-N 3.34Å; D1589-H1591 VanDerWaalsContact C-N 3.31Å; D1589-H1591 PolarHBondContact O-N 3.36Å |
| 1592 | L | 59.1 | Low | 61.2 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -89.3 | -21.4 | 178.1 | -71.9 | 168.5 | 0 | 0 | 0 | 112.9 | I1588 D1589 R1590 | I1588-L1592 HydrophobicContact CG2-CD1 4.06Å; I1588-L1592 WeakPolarHBondContact O-CG 3.28Å; I1588-L1592 PolarHBondContact O-N 3.44Å; D1589-L1592 PolarHBondContact O-N 2.7Å; R1590-L1592 VanDerWaalsContact C-N 3.3Å; R1590-L1592 PolarHBondContact O-N 2.94Å |
| 1593 | N | 53.5 | Low | 60.4 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | trans | -109.5 | 46.8 | -172.5 | -63.4 | -34.6 | 0 | 0 | 0 | 113.2 | D1589 R1590 D1595 | D1589-N1593 PolarHBondContact O-N 2.79Å; D1589-N1593 PolarHBondContact O-ND2 2.9Å; D1589-N1593 VanDerWaalsContact O-ND2 3.14Å; D1589-N1593 PolarHBondContact OD1-ND2 3.25Å; R1590-N1593 PolarHBondContact O-N 3.07Å; N1593-D1595 PolarHBondContact O-N 2.74Å | ||
| 1594 | D | 52.5 | Low | 59.8 | Low | 150 Ų | 150 | 108.3 Ų | 108.3 | 80% | 0.802 | 58% | 0.581 | S | S | * | * | trans | -71.2 | 23.5 | 179.2 | -128.1 | 9.9 | 0 | 0 | 0 | 114.1 | ||||
| 1595 | D | 52.7 | Low | 59.5 | Low | 138 Ų | 138 | 108.4 Ų | 108.4 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -102.2 | 111.6 | 176.7 | -119.3 | -11.6 | 0 | 0 | 0 | 109.2 | N1593 N1597 | N1593-D1595 PolarHBondContact O-N 2.74Å; D1595-N1597 VanDerWaalsContact C-N 3.29Å; D1595-N1597 PolarHBondContact O-N 2.78Å |
| 1596 | D | 47 | Very low | 59.5 | Low | 163 Ų | 163 | 108.5 Ų | 108.5 | 87% | 0.872 | 58% | 0.578 | S | S | * | * | trans | -58.3 | 59 | -171.8 | -72.8 | -48 | 0 | 0 | 0 | 116.5 | ||||
| 1597 | N | 49.4 | Very low | 59.8 | Low | 136 Ų | 136 | 110.9 Ų | 110.9 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -133.8 | 109.9 | 178.4 | -66.4 | -61.4 | 0 | 0 | 0 | 114 | D1595 | D1595-N1597 VanDerWaalsContact C-N 3.29Å; D1595-N1597 PolarHBondContact O-N 2.78Å | ||
| 1598 | E | 46.8 | Very low | 60.1 | Low | 177 Ų | 177 | 112.2 Ų | 112.2 | 83% | 0.827 | 61% | 0.605 | S | S | * | * | trans | 62.2 | 130.8 | 167.9 | -67.7 | -167.2 | 165 | 0 | 0 | 118.9 | M1600 | E1598-M1600 PolarHBondContact O-N 2.81Š| ||
| 1599 | P | 46.7 | Very low | 60.7 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | trans | -70.9 | 102 | -179.1 | 30.7 | -31.8 | 0 | 0 | 0 | 108.8 | S1601 | P1599-S1601 PolarHBondContact O-N 2.81Å; P1599-S1601 VanDerWaalsContact O-N 3.12Å | ||
| 1600 | M | 46.7 | Very low | 61.7 | Low | 122 Ų | 122 | 107.4 Ų | 107.4 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | trans | -51.1 | 117.2 | -179.6 | -70.4 | -71.4 | -76.2 | 0 | 0 | 110.3 | E1598 N1602 D1603 | E1598-M1600 PolarHBondContact O-N 2.81Å; M1600-N1602 PolarHBondContact O-N 2.84Å; M1600-D1603 PolarHBondContact O-N 3.06Å | ||
| 1601 | S | 54.4 | Low | 62.5 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -7.8 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | P1599 | P1599-S1601 PolarHBondContact O-N 2.81Å; P1599-S1601 VanDerWaalsContact O-N 3.12Å |
| 1602 | N | 57.3 | Low | 63.7 | Low | 72 Ų | 72 | 96.4 Ų | 96.4 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.6 | -22.7 | -175.5 | -62.9 | -5 | 0 | 0 | 0 | 112.5 | M1600 A1604 T1605 H1606 | M1600-N1602 PolarHBondContact O-N 2.84Å; N1602-A1604 VanDerWaalsContact C-N 3.33Å; N1602-A1604 PolarHBondContact O-N 3.24Å; N1602-T1605 WeakPolarHBondContact CA-OG1 3.3Å; N1602-T1605 PolarHBondContact O-N 2.92Å; N1602-T1605 PolarHBondContact O-OG1 3.01Å; N1602-H1606 PolarHBondContact O-CD2 2.94Å; N1602-H1606 PolarHBondContact O-N 2.71Å |
| 1603 | D | 62.3 | Low | 64.9 | Low | 70 Ų | 70 | 90.8 Ų | 90.8 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | -178.2 | -86.5 | -36.3 | 0 | 0 | 0 | 112.1 | R1590 M1600 T1605 H1606 L1607 | R1590-D1603 IonicContact CZ-OD1 3.92Å; R1590-D1603 IonicContact NE-OD1 2.94Å; R1590-D1603 IonicContact NH2-OD1 2.95Å; R1590-D1603 PolarHBondContact NH2-OD1 3.45Å; R1590-D1603 IonicContact NH2-OD2 3.84Å; M1600-D1603 PolarHBondContact O-N 3.06Å; D1603-T1605 PolarHBondContact O-N 2.79Å; D1603-H1606 PolarHBondContact O-N 2.76Å; D1603-L1607 WeakPolarHBondContact O-CB 3.34Å; D1603-L1607 PolarHBondContact O-N 2.61Å |
| 1604 | A | 67.9 | Low | 66.5 | Low | 74 Ų | 74 | 86 Ų | 86 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.5 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1602 S1608 | N1602-A1604 VanDerWaalsContact C-N 3.33Å; N1602-A1604 PolarHBondContact O-N 3.24Å; A1604-S1608 WeakPolarHBondContact O-CB 3.47Å; A1604-S1608 PolarHBondContact O-N 2.88Å; A1604-S1608 VanDerWaalsContact O-N 3.1Å |
| 1605 | T | 73.3 | Confident | 68 | Low | 87 Ų | 87 | 83 Ų | 83 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 176.8 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | N1602 D1603 S1608 E1609 | N1602-T1605 WeakPolarHBondContact CA-OG1 3.3Å; N1602-T1605 PolarHBondContact O-N 2.92Å; N1602-T1605 PolarHBondContact O-OG1 3.01Å; D1603-T1605 PolarHBondContact O-N 2.79Å; T1605-S1608 WeakPolarHBondContact O-CB 3.5Å; T1605-S1608 PolarHBondContact O-N 3.18Å; T1605-E1609 PolarHBondContact O-N 3.24Å |
| 1606 | H | 76.8 | Confident | 69.6 | Low | 58 Ų | 58 | 78.1 Ų | 78.1 | 27% | 0.269 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 177.5 | -71 | -54.3 | 0 | 0 | 0 | 112.5 | I1586 N1602 D1603 S1608 E1609 M1610 | I1586-H1606 HydrophobicContact CD1-CB 3.55Å; I1586-H1606 HydrophobicContact CG1-CB 4.41Å; N1602-H1606 PolarHBondContact O-CD2 2.94Å; N1602-H1606 PolarHBondContact O-N 2.71Å; D1603-H1606 PolarHBondContact O-N 2.76Å; H1606-S1608 VanDerWaalsContact C-N 3.3Å; H1606-S1608 PolarHBondContact O-N 3.12Å; H1606-E1609 PolarHBondContact O-N 2.65Å; H1606-M1610 WeakPolarHBondContact O-CG 2.95Å; H1606-M1610 PolarHBondContact O-N 2.87Å |
| 1607 | L | 78.6 | Confident | 71.5 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 173.5 | 179.5 | 63.7 | 0 | 0 | 0 | 111.1 | D1603 E1609 M1610 I1611 F1684 | D1603-L1607 WeakPolarHBondContact O-CB 3.34Å; D1603-L1607 PolarHBondContact O-N 2.61Å; L1607-E1609 VanDerWaalsContact C-N 3.33Å; L1607-E1609 PolarHBondContact O-N 2.72Å; L1607-M1610 PolarHBondContact O-N 2.79Å; L1607-I1611 HydrophobicContact CD1-CD1 4.1Å; L1607-I1611 HydrophobicContact CD1-CG1 4.42Å; L1607-I1611 HydrophobicContact CG-CD1 3.94Å; L1607-I1611 WeakPolarHBondContact O-CB 3.47Å; L1607-I1611 VanDerWaalsContact O-CG1 3.24Å; L1607-I1611 WeakPolarHBondContact O-CG1 3.22Å; L1607-I1611 PolarHBondContact O-N 2.84Å; L1607-F1684 HydrophobicContact CD1-CD2 3.71Å; L1607-F1684 HydrophobicContact CD1-CE2 4.02Å |
| 1608 | S | 79.6 | Confident | 73.3 | Confident | 72 Ų | 72 | 64 Ų | 64 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | A1604 T1605 H1606 M1612 | A1604-S1608 WeakPolarHBondContact O-CB 3.47Å; A1604-S1608 PolarHBondContact O-N 2.88Å; A1604-S1608 VanDerWaalsContact O-N 3.1Å; T1605-S1608 WeakPolarHBondContact O-CB 3.5Å; T1605-S1608 PolarHBondContact O-N 3.18Å; H1606-S1608 VanDerWaalsContact C-N 3.3Å; H1606-S1608 PolarHBondContact O-N 3.12Å; S1608-M1612 WeakPolarHBondContact O-CB 3.21Å; S1608-M1612 PolarHBondContact O-N 2.79Å |
| 1609 | E | 80.9 | Confident | 75 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 177.8 | -172 | 171.2 | -161 | 0 | 0 | 111.8 | L1582 T1605 H1606 L1607 I1611 M1612 H1613 | L1582-E1609 HydrophobicContact CD1-CG 4.31Å; T1605-E1609 PolarHBondContact O-N 3.24Å; H1606-E1609 PolarHBondContact O-N 2.65Å; L1607-E1609 VanDerWaalsContact C-N 3.33Å; L1607-E1609 PolarHBondContact O-N 2.72Å; E1609-I1611 PolarHBondContact O-N 3.05Å; E1609-M1612 HydrophobicContact CG-CE 4.24Å; E1609-M1612 WeakPolarHBondContact O-CB 3.28Å; E1609-M1612 PolarHBondContact O-N 3.46Å; E1609-M1612 VanDerWaalsContact O-N 3.14Å; E1609-H1613 PolarHBondContact O-CD2 2.91Å; E1609-H1613 PolarHBondContact O-N 2.86Å |
| 1610 | M | 84.4 | Confident | 76.9 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 173.3 | -72.8 | 167.7 | 40.6 | 0 | 0 | 111.3 | A1579 L1582 N1583 I1586 H1606 L1607 M1612 H1613 F1614 M1664 F1684 | A1579-M1610 HydrophobicContact CB-CB 4.45Å; L1582-M1610 HydrophobicContact CB-CG 4.04Å; N1583-M1610 HydrophobicContact CB-CE 4.06Å; N1583-M1610 HydrophobicContact CB-SD 4.14Å; I1586-M1610 HydrophobicContact CD1-SD 3.94Å; H1606-M1610 WeakPolarHBondContact O-CG 2.95Å; H1606-M1610 PolarHBondContact O-N 2.87Å; L1607-M1610 PolarHBondContact O-N 2.79Å; M1610-M1612 VanDerWaalsContact C-N 3.27Å; M1610-M1612 PolarHBondContact O-N 2.95Å; M1610-H1613 PolarHBondContact O-N 2.7Å; M1610-H1613 VanDerWaalsContact O-N 3.16Å; M1610-F1614 WeakPolarHBondContact O-CD2 3.25Å; M1610-F1614 PolarHBondContact O-N 3.45Å; M1610-M1664 HydrophobicContact CE-CE 3.32Å; M1610-M1664 HydrophobicContact SD-CE 4.38Å; M1610-F1684 HydrophobicContact CB-CE2 3.84Å; M1610-F1684 HydrophobicContact CB-CZ 4.25Å; M1610-F1684 HydrophobicContact CE-CD2 3.69Å; M1610-F1684 HydrophobicContact CE-CE2 3.51Å; M1610-F1684 HydrophobicContact CE-CZ 4.3Å |
| 1611 | I | 84.5 | Confident | 78.6 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 176.7 | -70 | 169.1 | 0 | 0 | 0 | 110.8 | L1607 E1609 H1613 F1614 R1615 F1684 A1687 L1688 N1691 | L1607-I1611 HydrophobicContact CD1-CD1 4.1Å; L1607-I1611 HydrophobicContact CD1-CG1 4.42Å; L1607-I1611 HydrophobicContact CG-CD1 3.94Å; L1607-I1611 WeakPolarHBondContact O-CB 3.47Å; L1607-I1611 VanDerWaalsContact O-CG1 3.24Å; L1607-I1611 WeakPolarHBondContact O-CG1 3.22Å; L1607-I1611 PolarHBondContact O-N 2.84Å; E1609-I1611 PolarHBondContact O-N 3.05Å; I1611-H1613 VanDerWaalsContact C-N 3.35Å; I1611-H1613 PolarHBondContact O-N 3.33Å; I1611-F1614 PolarHBondContact O-N 3.24Å; I1611-R1615 HydrophobicContact CG2-CG 4.4Å; I1611-R1615 WeakPolarHBondContact O-CG 3.33Å; I1611-R1615 PolarHBondContact O-N 2.69Å; I1611-F1684 HydrophobicContact CG1-CE2 3.86Å; I1611-F1684 HydrophobicContact CG1-CZ 4.27Å; I1611-A1687 HydrophobicContact CD1-CB 4.2Å; I1611-L1688 HydrophobicContact CG2-CD1 4.21Å; I1611-N1691 HydrophobicContact CG2-CB 3.7Å; I1611-N1691 VanDerWaalsContact CG2-CG 3.42Å |
| 1612 | M | 82.6 | Confident | 79.9 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 35% | 0.345 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.1 | -178.3 | -164.4 | 59.2 | 0 | 0 | 112 | S1608 E1609 M1610 R1615 R1616 | S1608-M1612 WeakPolarHBondContact O-CB 3.21Å; S1608-M1612 PolarHBondContact O-N 2.79Å; E1609-M1612 HydrophobicContact CG-CE 4.24Å; E1609-M1612 WeakPolarHBondContact O-CB 3.28Å; E1609-M1612 PolarHBondContact O-N 3.46Å; E1609-M1612 VanDerWaalsContact O-N 3.14Å; M1610-M1612 VanDerWaalsContact C-N 3.27Å; M1610-M1612 PolarHBondContact O-N 2.95Å; M1612-R1615 WeakPolarHBondContact O-CB 3.47Å; M1612-R1615 PolarHBondContact O-N 3.32Å; M1612-R1616 WeakPolarHBondContact O-CG 3.38Å; M1612-R1616 PolarHBondContact O-N 2.98Å; M1612-R1616 PolarHBondContact SD-NH2 2.88Å |
| 1613 | H | 84.6 | Confident | 81.1 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.069 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.2 | -80.2 | -71 | 0 | 0 | 0 | 112.7 | S1575 A1579 E1609 M1610 I1611 R1616 A1617 | S1575-H1613 WeakPolarHBondContact O-CB 3.35Å; A1579-H1613 HydrophobicContact CB-CB 3.94Å; E1609-H1613 PolarHBondContact O-CD2 2.91Å; E1609-H1613 PolarHBondContact O-N 2.86Å; M1610-H1613 PolarHBondContact O-N 2.7Å; M1610-H1613 VanDerWaalsContact O-N 3.16Å; I1611-H1613 VanDerWaalsContact C-N 3.35Å; I1611-H1613 PolarHBondContact O-N 3.33Å; H1613-R1616 WeakPolarHBondContact O-CB 2.95Å; H1613-R1616 PolarHBondContact O-N 2.98Å; H1613-A1617 PolarHBondContact O-N 3.47Å; H1613-A1617 VanDerWaalsContact O-N 3.16Å |
| 1614 | F | 86.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 172.7 | -85.4 | -93.6 | 0 | 0 | 0 | 112 | V1576 A1579 M1610 I1611 R1616 A1617 F1618 I1657 Q1660 A1661 M1664 F1684 L1688 | V1576-F1614 HydrophobicContact CG1-CE1 4.25Å; V1576-F1614 HydrophobicContact CG1-CZ 4.06Å; V1576-F1614 HydrophobicContact CG2-CE1 4.3Å; A1579-F1614 HydrophobicContact CB-CD2 3.66Å; A1579-F1614 HydrophobicContact CB-CE2 3.41Å; A1579-F1614 VanDerWaalsContact CB-CE2 3.41Å; M1610-F1614 WeakPolarHBondContact O-CD2 3.25Å; M1610-F1614 PolarHBondContact O-N 3.45Å; I1611-F1614 PolarHBondContact O-N 3.24Å; F1614-R1616 VanDerWaalsContact C-N 3.33Å; F1614-R1616 PolarHBondContact O-N 3.06Å; F1614-A1617 WeakPolarHBondContact O-CA 3.19Å; F1614-A1617 WeakPolarHBondContact O-CB 3.46Å; F1614-A1617 PolarHBondContact O-N 3.15Å; F1614-F1618 WeakPolarHBondContact O-CD2 3.2Å; F1614-F1618 PolarHBondContact O-N 2.89Å; F1614-I1657 HydrophobicContact CD1-CG2 3.57Å; F1614-I1657 HydrophobicContact CE1-CG2 3.87Å; F1614-I1657 WeakPolarHBondContact CE1-O 2.94Å; F1614-Q1660 HydrophobicContact CZ-CB 4.42Å; F1614-A1661 HydrophobicContact CD1-CB 4.32Å; F1614-A1661 HydrophobicContact CE1-CB 3.72Å; F1614-A1661 HydrophobicContact CZ-CB 4.17Å; F1614-M1664 HydrophobicContact CE2-CE 4.35Å; F1614-M1664 HydrophobicContact CE2-CG 4.39Å; F1614-M1664 HydrophobicContact CE2-SD 4.38Å; F1614-M1664 HydrophobicContact CZ-CG 4.31Å; F1614-M1664 HydrophobicContact CZ-SD 4.43Å; F1614-F1684 AromaticContact CD2-CE1 3.82Å; F1614-F1684 HydrophobicContact CD2-CE1 3.82Å; F1614-F1684 AromaticContact CD2-CZ 3.62Å; F1614-F1684 HydrophobicContact CD2-CZ 3.62Å; F1614-F1684 AromaticContact CE2-CE1 3.68Å; F1614-F1684 HydrophobicContact CE2-CE1 3.68Å; F1614-F1684 AromaticContact CE2-CZ 3.77Å; F1614-F1684 HydrophobicContact CE2-CZ 3.77Å; F1614-F1684 HydrophobicContact CG-CE1 4.29Å; F1614-F1684 HydrophobicContact CG-CZ 4.31Å; F1614-F1684 HydrophobicContact CZ-CE1 4.07Å; F1614-L1688 HydrophobicContact CB-CD1 3.69Å; F1614-L1688 HydrophobicContact CB-CD2 4.18Å; F1614-L1688 HydrophobicContact CD1-CD2 3.89Å; F1614-L1688 HydrophobicContact CG-CD1 4.44Å; F1614-L1688 HydrophobicContact CG-CD2 4.15Å |
| 1615 | R | 85.1 | Confident | 82.4 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.1 | -76.1 | -179.9 | 68.3 | 178.7 | 2.8 | 112.6 | I1611 M1612 A1617 F1618 T1619 N1691 L1692 N1695 | I1611-R1615 HydrophobicContact CG2-CG 4.4Å; I1611-R1615 WeakPolarHBondContact O-CG 3.33Å; I1611-R1615 PolarHBondContact O-N 2.69Å; M1612-R1615 WeakPolarHBondContact O-CB 3.47Å; M1612-R1615 PolarHBondContact O-N 3.32Å; R1615-A1617 PolarHBondContact O-N 3.02Å; R1615-F1618 PolarHBondContact O-N 3.28Å; R1615-F1618 VanDerWaalsContact O-N 3.15Å; R1615-T1619 PolarHBondContact O-N 3.22Å; R1615-T1619 PolarHBondContact O-OG1 3.31Å; R1615-T1619 VanDerWaalsContact O-OG1 3.04Å; R1615-N1691 VanDerWaalsContact CD-OD1 3.31Å; R1615-N1691 WeakPolarHBondContact CD-OD1 2.96Å; R1615-L1692 HydrophobicContact CG-CD2 3.95Å; R1615-N1695 VanDerWaalsContact NH1-CG 3.33Å; R1615-N1695 PolarHBondContact NH1-ND2 3.36Å; R1615-N1695 PolarHBondContact NH1-OD1 2.96Å; R1615-N1695 PolarHBondContact NH2-ND2 3.43Å; R1615-N1695 PolarHBondContact NH2-OD1 2.71Å |
| 1616 | R | 85.5 | Confident | 82.5 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 174.7 | -68 | 169.9 | -173.5 | -166.9 | 0.5 | 111 | V1529 L1532 M1612 H1613 F1614 T1619 L1620 | V1529-R1616 HydrophobicContact CG1-CB 4.2Å; L1532-R1616 PolarHBondContact O-NH1 3.09Å; M1612-R1616 WeakPolarHBondContact O-CG 3.38Å; M1612-R1616 PolarHBondContact O-N 2.98Å; M1612-R1616 PolarHBondContact SD-NH2 2.88Å; H1613-R1616 WeakPolarHBondContact O-CB 2.95Å; H1613-R1616 PolarHBondContact O-N 2.98Å; F1614-R1616 VanDerWaalsContact C-N 3.33Å; F1614-R1616 PolarHBondContact O-N 3.06Å; R1616-T1619 PolarHBondContact O-N 3.22Å; R1616-L1620 WeakPolarHBondContact O-CB 2.98Å; R1616-L1620 WeakPolarHBondContact O-CD1 3.11Å; R1616-L1620 VanDerWaalsContact O-CG 3.24Å; R1616-L1620 WeakPolarHBondContact O-CG 3.48Å; R1616-L1620 PolarHBondContact O-N 3.27Å |
| 1617 | A | 86.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1572 S1575 V1576 H1613 F1614 R1615 L1620 I1621 I1657 | V1572-A1617 HydrophobicContact CG1-CB 4.28Å; S1575-A1617 WeakPolarHBondContact OG-CB 3.36Å; V1576-A1617 HydrophobicContact CG2-CB 4.08Å; H1613-A1617 PolarHBondContact O-N 3.47Å; H1613-A1617 VanDerWaalsContact O-N 3.16Å; F1614-A1617 WeakPolarHBondContact O-CA 3.19Å; F1614-A1617 WeakPolarHBondContact O-CB 3.46Å; F1614-A1617 PolarHBondContact O-N 3.15Å; R1615-A1617 PolarHBondContact O-N 3.02Å; A1617-L1620 WeakPolarHBondContact O-CB 3.26Å; A1617-L1620 PolarHBondContact O-N 3.26Å; A1617-I1621 PolarHBondContact O-N 3.32Å; A1617-I1621 VanDerWaalsContact O-N 3.16Å; A1617-I1657 HydrophobicContact CB-CD1 3.66Å; A1617-I1657 HydrophobicContact CB-CG1 4.11Å |
| 1618 | F | 87 | Confident | 81.4 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.4 | -74.2 | -70.1 | 0 | 0 | 0 | 112.8 | F1614 R1615 L1620 I1621 D1622 I1657 W1658 L1688 L1692 L1702 | F1614-F1618 WeakPolarHBondContact O-CD2 3.2Å; F1614-F1618 PolarHBondContact O-N 2.89Å; R1615-F1618 PolarHBondContact O-N 3.28Å; R1615-F1618 VanDerWaalsContact O-N 3.15Å; F1618-L1620 PolarHBondContact O-N 2.94Å; F1618-I1621 WeakPolarHBondContact O-CA 3.16Å; F1618-I1621 WeakPolarHBondContact O-CB 3.48Å; F1618-I1621 PolarHBondContact O-N 3.46Å; F1618-D1622 PolarHBondContact O-N 2.97Å; F1618-I1657 HydrophobicContact CE1-CG2 4.26Å; F1618-I1657 HydrophobicContact CE2-CG2 3.74Å; F1618-I1657 HydrophobicContact CZ-CG2 3.58Å; F1618-W1658 HydrophobicContact CE1-CZ2 4.23Å; F1618-W1658 HydrophobicContact CZ-CD2 4.41Å; F1618-W1658 AromaticContact CZ-CE2 3.77Å; F1618-W1658 HydrophobicContact CZ-CH2 4.31Å; F1618-W1658 AromaticContact CZ-CZ2 3.73Å; F1618-W1658 HydrophobicContact CZ-CZ2 3.73Å; F1618-W1658 AromaticContact CZ-NE1 3.99Å; F1618-L1688 HydrophobicContact CE2-CD2 4.29Å; F1618-L1692 HydrophobicContact CD2-CD1 3.92Å; F1618-L1692 HydrophobicContact CD2-CD2 3.84Å; F1618-L1692 HydrophobicContact CE2-CD1 3.63Å; F1618-L1692 HydrophobicContact CE2-CD2 4.39Å; F1618-L1692 HydrophobicContact CG-CD2 4.33Å; F1618-L1692 HydrophobicContact CZ-CD1 4.09Å; F1618-L1702 HydrophobicContact CD1-CD1 4.12Å; F1618-L1702 HydrophobicContact CE1-CD1 4.48Å |
| 1619 | T | 84.1 | Confident | 80 | Confident | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | V1529 R1615 R1616 I1621 D1622 I1623 | V1529-T1619 HydrophobicContact CG2-CG2 4.46Å; R1615-T1619 PolarHBondContact O-N 3.22Å; R1615-T1619 PolarHBondContact O-OG1 3.31Å; R1615-T1619 VanDerWaalsContact O-OG1 3.04Å; R1616-T1619 PolarHBondContact O-N 3.22Å; T1619-I1621 VanDerWaalsContact C-N 3.34Å; T1619-I1621 PolarHBondContact O-N 3.1Å; T1619-D1622 PolarHBondContact O-N 2.9Å; T1619-I1623 HydrophobicContact CG2-CD1 3.99Å; T1619-I1623 WeakPolarHBondContact O-CD1 2.72Å; T1619-I1623 WeakPolarHBondContact O-CG1 3.22Å; T1619-I1623 PolarHBondContact O-N 2.7Å |
| 1620 | L | 85.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 174.6 | -78.4 | 167.7 | 0 | 0 | 0 | 112.8 | V1529 I1568 L1571 V1572 R1616 A1617 F1618 I1623 L1624 | V1529-L1620 HydrophobicContact CB-CD2 4.15Å; V1529-L1620 HydrophobicContact CB-CG 4.47Å; V1529-L1620 HydrophobicContact CG1-CD1 3.84Å; V1529-L1620 HydrophobicContact CG1-CD2 3.89Å; V1529-L1620 HydrophobicContact CG1-CG 3.78Å; I1568-L1620 HydrophobicContact CG2-CB 3.95Å; I1568-L1620 HydrophobicContact CG2-CD2 4.41Å; I1568-L1620 WeakPolarHBondContact CG2-O 3.43Å; L1571-L1620 HydrophobicContact CB-CD1 3.58Å; L1571-L1620 HydrophobicContact CB-CD2 4.31Å; L1571-L1620 HydrophobicContact CD1-CD2 4.09Å; V1572-L1620 HydrophobicContact CG2-CB 3.69Å; V1572-L1620 HydrophobicContact CG2-CD1 4.08Å; R1616-L1620 WeakPolarHBondContact O-CB 2.98Å; R1616-L1620 WeakPolarHBondContact O-CD1 3.11Å; R1616-L1620 VanDerWaalsContact O-CG 3.24Å; R1616-L1620 WeakPolarHBondContact O-CG 3.48Å; R1616-L1620 PolarHBondContact O-N 3.27Å; A1617-L1620 WeakPolarHBondContact O-CB 3.26Å; A1617-L1620 PolarHBondContact O-N 3.26Å; F1618-L1620 PolarHBondContact O-N 2.94Å; L1620-I1623 PolarHBondContact O-N 3.4Å; L1620-L1624 WeakPolarHBondContact O-CB 3.35Å; L1620-L1624 PolarHBondContact O-N 3.02Å |
| 1621 | I | 83.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 173.8 | -73.6 | 176.9 | 0 | 0 | 0 | 111.6 | V1572 A1617 F1618 T1619 I1623 L1624 Q1625 R1650 L1653 L1654 I1657 | V1572-I1621 HydrophobicContact CG2-CG1 4.39Å; A1617-I1621 PolarHBondContact O-N 3.32Å; A1617-I1621 VanDerWaalsContact O-N 3.16Å; F1618-I1621 WeakPolarHBondContact O-CA 3.16Å; F1618-I1621 WeakPolarHBondContact O-CB 3.48Å; F1618-I1621 PolarHBondContact O-N 3.46Å; T1619-I1621 VanDerWaalsContact C-N 3.34Å; T1619-I1621 PolarHBondContact O-N 3.1Å; I1621-I1623 VanDerWaalsContact C-N 3.33Å; I1621-L1624 WeakPolarHBondContact O-CB 3.27Å; I1621-L1624 PolarHBondContact O-N 2.94Å; I1621-Q1625 PolarHBondContact O-N 3.33Å; I1621-Q1625 VanDerWaalsContact O-N 3.16Å; I1621-R1650 HydrophobicContact CG2-CG 3.91Å; I1621-L1653 HydrophobicContact CD1-CB 4.25Å; I1621-L1654 HydrophobicContact CD1-CB 4.11Å; I1621-I1657 HydrophobicContact CD1-CD1 3.3Å; I1621-I1657 HydrophobicContact CG1-CD1 4.33Å |
| 1622 | D | 81.2 | Confident | 73.7 | Confident | 56 Ų | 56 | 56 Ų | 56 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 176.7 | -66.5 | -23.8 | 0 | 0 | 0 | 111.1 | F1618 T1619 L1624 Q1625 N1626 | F1618-D1622 PolarHBondContact O-N 2.97Å; T1619-D1622 PolarHBondContact O-N 2.9Å; D1622-L1624 VanDerWaalsContact C-N 3.33Å; D1622-L1624 PolarHBondContact O-N 2.9Å; D1622-Q1625 WeakPolarHBondContact O-CB 3.03Å; D1622-Q1625 PolarHBondContact O-N 2.89Å; D1622-N1626 PolarHBondContact O-N 3.34Å; D1622-N1626 PolarHBondContact O-ND2 3.5Å |
| 1623 | I | 81.8 | Confident | 71.3 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 174 | -66.8 | 160.3 | 0 | 0 | 0 | 110.9 | A1522 D1525 W1526 I1568 T1619 L1620 I1621 Q1625 N1626 V1627 | A1522-I1623 HydrophobicContact CB-CG2 4.42Å; A1522-I1623 WeakPolarHBondContact O-CG2 3.29Å; D1525-I1623 HydrophobicContact CB-CD1 3.92Å; D1525-I1623 HydrophobicContact CB-CG1 4.37Å; W1526-I1623 HydrophobicContact CB-CG2 3.99Å; I1568-I1623 HydrophobicContact CD1-CG2 4.18Å; T1619-I1623 HydrophobicContact CG2-CD1 3.99Å; T1619-I1623 WeakPolarHBondContact O-CD1 2.72Å; T1619-I1623 WeakPolarHBondContact O-CG1 3.22Å; T1619-I1623 PolarHBondContact O-N 2.7Å; L1620-I1623 PolarHBondContact O-N 3.4Å; I1621-I1623 VanDerWaalsContact C-N 3.33Å; I1623-Q1625 PolarHBondContact O-N 3.18Å; I1623-N1626 PolarHBondContact O-N 2.77Å; I1623-N1626 VanDerWaalsContact O-N 3.12Å; I1623-V1627 HydrophobicContact CG2-CG2 3.97Å; I1623-V1627 VanDerWaalsContact O-CG2 3.32Å; I1623-V1627 WeakPolarHBondContact O-CG2 3.39Å; I1623-V1627 PolarHBondContact O-N 2.92Å; I1623-V1627 VanDerWaalsContact O-N 3.17Å |
| 1624 | L | 80.3 | Confident | 68.9 | Low | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.2 | -46 | 175.3 | -176.5 | 61.7 | 0 | 0 | 0 | 110.1 | I1568 L1620 I1621 D1622 N1626 V1627 L1628 R1650 | I1568-L1624 HydrophobicContact CB-CD1 4.43Å; I1568-L1624 HydrophobicContact CD1-CB 3.97Å; I1568-L1624 HydrophobicContact CD1-CD1 3.97Å; I1568-L1624 HydrophobicContact CG2-CB 4.17Å; L1620-L1624 WeakPolarHBondContact O-CB 3.35Å; L1620-L1624 PolarHBondContact O-N 3.02Å; I1621-L1624 WeakPolarHBondContact O-CB 3.27Å; I1621-L1624 PolarHBondContact O-N 2.94Å; D1622-L1624 VanDerWaalsContact C-N 3.33Å; D1622-L1624 PolarHBondContact O-N 2.9Å; L1624-N1626 VanDerWaalsContact C-N 3.34Å; L1624-N1626 PolarHBondContact O-N 3.47Å; L1624-V1627 PolarHBondContact O-N 2.95Å; L1624-L1628 HydrophobicContact CD1-CD1 3.98Å; L1624-L1628 HydrophobicContact CD1-CD2 4.11Å; L1624-L1628 HydrophobicContact CD1-CG 4.09Å; L1624-L1628 HydrophobicContact CG-CD1 3.85Å; L1624-L1628 HydrophobicContact CG-CG 4.45Å; L1624-L1628 WeakPolarHBondContact O-CD1 3.35Å; L1624-L1628 WeakPolarHBondContact O-CG 2.96Å; L1624-R1650 HydrophobicContact CD2-CB 4.33Å |
| 1625 | Q | 77.8 | Confident | 66.2 | Low | 107 Ų | 107 | 72.2 Ų | 72.2 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 178.3 | -174.2 | 171.8 | -13.2 | 0 | 0 | 113.4 | I1621 D1622 I1623 | I1621-Q1625 PolarHBondContact O-N 3.33Å; I1621-Q1625 VanDerWaalsContact O-N 3.16Å; D1622-Q1625 WeakPolarHBondContact O-CB 3.03Å; D1622-Q1625 PolarHBondContact O-N 2.89Å; I1623-Q1625 PolarHBondContact O-N 3.18Å |
| 1626 | N | 74.6 | Confident | 63.7 | Low | 97 Ų | 97 | 70.8 Ų | 70.8 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -77.8 | -20.8 | -177.4 | -69.1 | -29.9 | 0 | 0 | 0 | 114.4 | A1522 D1622 I1623 L1624 | A1522-N1626 HydrophobicContact CB-CB 3.98Å; D1622-N1626 PolarHBondContact O-N 3.34Å; D1622-N1626 PolarHBondContact O-ND2 3.5Å; I1623-N1626 PolarHBondContact O-N 2.77Å; I1623-N1626 VanDerWaalsContact O-N 3.12Å; L1624-N1626 VanDerWaalsContact C-N 3.34Å; L1624-N1626 PolarHBondContact O-N 3.47Å |
| 1627 | V | 71.6 | Confident | 61.3 | Low | 18 Ų | 18 | 79.4 Ų | 79.4 | 11% | 0.109 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -96.6 | -17.8 | -170.8 | 171.3 | 0 | 0 | 0 | 0 | 113.3 | A1522 Y1523 I1623 L1624 D1629 | A1522-V1627 HydrophobicContact CB-CG2 3.93Å; Y1523-V1627 HydrophobicContact CD1-CG1 4.49Å; Y1523-V1627 HydrophobicContact CD2-CG2 4.44Å; Y1523-V1627 HydrophobicContact CE1-CG1 3.69Å; Y1523-V1627 HydrophobicContact CE2-CG1 3.88Å; Y1523-V1627 HydrophobicContact CE2-CG2 4.33Å; Y1523-V1627 VanDerWaalsContact OH-CG1 3.25Å; Y1523-V1627 WeakPolarHBondContact OH-CG1 3.33Å; I1623-V1627 HydrophobicContact CG2-CG2 3.97Å; I1623-V1627 VanDerWaalsContact O-CG2 3.32Å; I1623-V1627 WeakPolarHBondContact O-CG2 3.39Å; I1623-V1627 PolarHBondContact O-N 2.92Å; I1623-V1627 VanDerWaalsContact O-N 3.17Å; L1624-V1627 PolarHBondContact O-N 2.95Å; V1627-D1629 PolarHBondContact O-N 3.12Å |
| 1628 | L | 60.7 | Low | 58.8 | Low | 72 Ų | 72 | 85.6 Ų | 85.6 | 38% | 0.377 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.4 | -161.9 | -79.2 | 163.4 | 0 | 0 | 0 | 118 | L1624 L1630 P1646 | L1624-L1628 HydrophobicContact CD1-CD1 3.98Å; L1624-L1628 HydrophobicContact CD1-CD2 4.11Å; L1624-L1628 HydrophobicContact CD1-CG 4.09Å; L1624-L1628 HydrophobicContact CG-CD1 3.85Å; L1624-L1628 HydrophobicContact CG-CG 4.45Å; L1624-L1628 WeakPolarHBondContact O-CD1 3.35Å; L1624-L1628 WeakPolarHBondContact O-CG 2.96Å; L1628-L1630 PolarHBondContact O-N 2.8Å; L1628-L1630 VanDerWaalsContact O-N 3.08Å; L1628-P1646 HydrophobicContact CD1-CB 3.49Å; L1628-P1646 VanDerWaalsContact CD1-CB 3.49Å; L1628-P1646 HydrophobicContact CD1-CG 3.97Å; L1628-P1646 HydrophobicContact CD2-CB 3.51Å; L1628-P1646 HydrophobicContact CD2-CG 3.91Å; L1628-P1646 HydrophobicContact CG-CB 4.09Å; L1628-P1646 HydrophobicContact CG-CG 4.39Å |
| 1629 | D | 51.4 | Low | 56.3 | Low | 136 Ų | 136 | 92.6 Ų | 92.6 | 73% | 0.727 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -0.2 | 176.1 | -79.8 | -16.2 | 0 | 0 | 0 | 114.3 | V1627 | V1627-D1629 PolarHBondContact O-N 3.12Š|
| 1630 | L | 42.1 | Very low | 54 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | trans | -139.6 | 60.7 | -167.5 | -68.6 | 166.4 | 0 | 0 | 0 | 113.9 | Y1445 K1519 L1628 | Y1445-L1630 HydrophobicContact CE1-CD1 3.88Å; Y1445-L1630 WeakPolarHBondContact OH-CD1 3.28Å; K1519-L1630 HydrophobicContact CD-CD1 4.27Å; L1628-L1630 PolarHBondContact O-N 2.8Å; L1628-L1630 VanDerWaalsContact O-N 3.08Å | ||
| 1631 | R | 40.7 | Very low | 51.8 | Low | 205 Ų | 205 | 104.8 Ų | 104.8 | 77% | 0.774 | 55% | 0.554 | S | S | * | * | trans | -90.4 | 112.6 | 143.7 | -109.2 | -177.6 | -177.8 | 174.8 | -0.6 | 106.8 | N1633 C1643 | R1631-N1633 PolarHBondContact O-N 3.29Å; R1631-C1643 PolarHBondContact NH1-SG 2.96Å; R1631-C1643 VanDerWaalsContact NH1-SG 3.41Å | ||
| 1632 | P | 33.8 | Very low | 49.8 | Very low | 108 Ų | 108 | 112.2 Ų | 112.2 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | trans | -63 | 133.4 | 176.7 | 25.8 | -29.2 | 0 | 0 | 0 | 108 | N1634 | P1632-N1634 VanDerWaalsContact C-N 3.34Å; P1632-N1634 PolarHBondContact O-N 3.02Å | ||
| 1633 | N | 32.1 | Very low | 48.2 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 82% | 0.824 | 61% | 0.611 | S | S | * | * | trans | -46.9 | 94.8 | 173.7 | -63.9 | -37.3 | 0 | 0 | 0 | 110.3 | R1631 S1635 | R1631-N1633 PolarHBondContact O-N 3.29Å; N1633-S1635 PolarHBondContact O-N 2.82Å | ||
| 1634 | N | 34.3 | Very low | 46.8 | Very low | 157 Ų | 157 | 119.3 Ų | 119.3 | 84% | 0.84 | 64% | 0.635 | S | S | * | * | trans | -73.8 | 70.9 | 160.9 | -85.8 | -7.2 | 0 | 0 | 0 | 106.9 | P1632 G1636 | P1632-N1634 VanDerWaalsContact C-N 3.34Å; P1632-N1634 PolarHBondContact O-N 3.02Å; N1634-G1636 VanDerWaalsContact C-N 3.27Å; N1634-G1636 PolarHBondContact O-N 2.61Å; N1634-G1636 VanDerWaalsContact O-N 3.1Å | ||
| 1635 | S | 31.5 | Very low | 45.8 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -73.1 | 89.3 | 160.8 | 58.1 | 0 | 0 | 0 | 0 | 107.1 | N1633 | N1633-S1635 PolarHBondContact O-N 2.82Š| ||
| 1636 | G | 32.9 | Very low | 45.2 | Very low | 55 Ų | 55 | 120.5 Ų | 120.5 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | 159.9 | 114.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1634 | N1634-G1636 VanDerWaalsContact C-N 3.27Å; N1634-G1636 PolarHBondContact O-N 2.61Å; N1634-G1636 VanDerWaalsContact O-N 3.1Å | ||
| 1637 | Y | 34.8 | Very low | 44.9 | Very low | 218 Ų | 218 | 121.2 Ų | 121.2 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | trans | 82.2 | 100.9 | 168.1 | -73.9 | -88.5 | 0 | 0 | 0 | 117.5 | ||||
| 1638 | D | 33.6 | Very low | 45.1 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | trans | 58.2 | 110.2 | 132.3 | -56.8 | -13.9 | 0 | 0 | 0 | 119.4 | ||||
| 1639 | D | 34.3 | Very low | 45.9 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | trans | 48.8 | 128.3 | 131.6 | -63.8 | -23.1 | 0 | 0 | 0 | 119.5 | ||||
| 1640 | D | 36.8 | Very low | 47.3 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 87% | 0.872 | 63% | 0.627 | S | S | * | * | trans | 77.9 | 69.8 | 166.1 | -56.4 | -26.6 | 0 | 0 | 0 | 117.5 | ||||
| 1641 | D | 39.2 | Very low | 49.1 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 83% | 0.834 | 63% | 0.627 | S | S | * | * | trans | -154.4 | 117.6 | 141.3 | -134.3 | -4.4 | 0 | 0 | 0 | 110 | C1643 | D1641-C1643 VanDerWaalsContact C-N 3.26Å; D1641-C1643 PolarHBondContact O-N 2.74Å | ||
| 1642 | D | 41.2 | Very low | 51.1 | Low | 156 Ų | 156 | 111.8 Ų | 111.8 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | -58.1 | 84.8 | 175.4 | -88 | -42.4 | 0 | 0 | 0 | 110 | Q1644 | D1642-Q1644 PolarHBondContact O-N 3.35Š| ||
| 1643 | C | 46.5 | Very low | 53.5 | Low | 98 Ų | 98 | 106.8 Ų | 106.8 | 66% | 0.662 | 58% | 0.576 | S | S | * | * | trans | -72 | 78.3 | 174.3 | -104.9 | 0 | 0 | 0 | 0 | 109.3 | R1631 D1641 N1645 | R1631-C1643 PolarHBondContact NH1-SG 2.96Å; R1631-C1643 VanDerWaalsContact NH1-SG 3.41Å; D1641-C1643 VanDerWaalsContact C-N 3.26Å; D1641-C1643 PolarHBondContact O-N 2.74Å; C1643-N1645 PolarHBondContact O-N 2.81Å | ||
| 1644 | Q | 52.1 | Low | 56.1 | Low | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | trans | -55.5 | 131.3 | 173.9 | -70.7 | 177 | -34.6 | 0 | 0 | 110.1 | D1642 V1649 | D1642-Q1644 PolarHBondContact O-N 3.35Å; Q1644-V1649 HydrophobicContact CB-CG2 4.28Å | ||
| 1645 | N | 59.4 | Low | 58.4 | Low | 99 Ų | 99 | 94.8 Ų | 94.8 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | trans | -51.5 | 127 | 179.1 | -173.6 | -13.2 | 0 | 0 | 0 | 109.5 | C1643 M1647 I1648 V1649 | C1643-N1645 PolarHBondContact O-N 2.81Å; N1645-M1647 PolarHBondContact O-N 3.34Å; N1645-M1647 VanDerWaalsContact O-N 3.09Å; N1645-I1648 HydrophobicContact CB-CD1 3.69Å; N1645-I1648 HydrophobicContact CB-CG1 3.95Å; N1645-I1648 WeakPolarHBondContact O-CA 3.41Å; N1645-I1648 WeakPolarHBondContact O-CB 3.18Å; N1645-I1648 PolarHBondContact O-N 3.41Å; N1645-V1649 PolarHBondContact O-N 2.91Å | ||
| 1646 | P | 64.9 | Low | 61 | Low | 51 Ų | 51 | 90.2 Ų | 90.2 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -20.4 | -168.1 | 26.5 | -38.2 | 0 | 0 | 0 | 114.4 | L1628 I1648 V1649 R1650 | L1628-P1646 HydrophobicContact CD1-CB 3.49Å; L1628-P1646 VanDerWaalsContact CD1-CB 3.49Å; L1628-P1646 HydrophobicContact CD1-CG 3.97Å; L1628-P1646 HydrophobicContact CD2-CB 3.51Å; L1628-P1646 HydrophobicContact CD2-CG 3.91Å; L1628-P1646 HydrophobicContact CG-CB 4.09Å; L1628-P1646 HydrophobicContact CG-CG 4.39Å; P1646-I1648 VanDerWaalsContact C-N 3.27Å; P1646-V1649 PolarHBondContact O-N 3.22Å; P1646-R1650 PolarHBondContact O-N 3.14Å |
| 1647 | M | 70.2 | Confident | 63.7 | Low | 113 Ų | 113 | 87.6 Ų | 87.6 | 56% | 0.557 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64 | -35 | 168.8 | -156.6 | 87.8 | 94.5 | 0 | 0 | 111.5 | N1645 R1650 D1651 | N1645-M1647 PolarHBondContact O-N 3.34Å; N1645-M1647 VanDerWaalsContact O-N 3.09Å; M1647-R1650 WeakPolarHBondContact O-CB 3.33Å; M1647-R1650 PolarHBondContact O-N 3.14Å; M1647-D1651 VanDerWaalsContact O-CG 3.23Å; M1647-D1651 PolarHBondContact O-N 2.82Å |
| 1648 | I | 75.2 | Confident | 66.2 | Low | 78 Ų | 78 | 77.2 Ų | 77.2 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 174.5 | -57.6 | 173.9 | 0 | 0 | 0 | 109.6 | N1645 P1646 R1650 D1651 E1652 | N1645-I1648 HydrophobicContact CB-CD1 3.69Å; N1645-I1648 HydrophobicContact CB-CG1 3.95Å; N1645-I1648 WeakPolarHBondContact O-CA 3.41Å; N1645-I1648 WeakPolarHBondContact O-CB 3.18Å; N1645-I1648 PolarHBondContact O-N 3.41Å; P1646-I1648 VanDerWaalsContact C-N 3.27Å; I1648-R1650 VanDerWaalsContact C-N 3.27Å; I1648-R1650 PolarHBondContact O-N 3.32Å; I1648-D1651 PolarHBondContact O-N 2.87Å; I1648-D1651 VanDerWaalsContact O-N 3.16Å; I1648-E1652 HydrophobicContact CG2-CG 4.2Å; I1648-E1652 WeakPolarHBondContact CG2-OE1 3.31Å; I1648-E1652 WeakPolarHBondContact O-CB 3.15Å; I1648-E1652 VanDerWaalsContact O-CG 3.3Å; I1648-E1652 WeakPolarHBondContact O-CG 3.45Å; I1648-E1652 PolarHBondContact O-N 2.74Å |
| 1649 | V | 77.3 | Confident | 68.6 | Low | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | P1569 Q1644 N1645 P1646 L1653 | P1569-V1649 HydrophobicContact CG-CG1 4.03Å; Q1644-V1649 HydrophobicContact CB-CG2 4.28Å; N1645-V1649 PolarHBondContact O-N 2.91Å; P1646-V1649 PolarHBondContact O-N 3.22Å; V1649-L1653 HydrophobicContact CG1-CD1 3.94Å; V1649-L1653 HydrophobicContact CG1-CG 4.35Å; V1649-L1653 WeakPolarHBondContact O-CB 3.42Å; V1649-L1653 WeakPolarHBondContact O-CG 3.5Å; V1649-L1653 PolarHBondContact O-N 2.85Å |
| 1650 | R | 80.6 | Confident | 71.1 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 173.3 | 169.9 | 174.8 | -174.1 | -92.1 | 6.9 | 111.3 | I1621 L1624 P1646 M1647 I1648 E1652 L1653 L1654 | I1621-R1650 HydrophobicContact CG2-CG 3.91Å; L1624-R1650 HydrophobicContact CD2-CB 4.33Å; P1646-R1650 PolarHBondContact O-N 3.14Å; M1647-R1650 WeakPolarHBondContact O-CB 3.33Å; M1647-R1650 PolarHBondContact O-N 3.14Å; I1648-R1650 VanDerWaalsContact C-N 3.27Å; I1648-R1650 PolarHBondContact O-N 3.32Å; R1650-E1652 VanDerWaalsContact C-N 3.35Å; R1650-L1653 PolarHBondContact O-N 2.87Å; R1650-L1654 VanDerWaalsContact O-CB 3.22Å; R1650-L1654 WeakPolarHBondContact O-CB 3.44Å; R1650-L1654 PolarHBondContact O-N 2.67Å |
| 1651 | D | 79.8 | Confident | 73.4 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | -177 | -66.7 | -14.3 | 0 | 0 | 0 | 111.4 | M1647 I1648 L1654 L1655 | M1647-D1651 VanDerWaalsContact O-CG 3.23Å; M1647-D1651 PolarHBondContact O-N 2.82Å; I1648-D1651 PolarHBondContact O-N 2.87Å; I1648-D1651 VanDerWaalsContact O-N 3.16Å; D1651-L1654 PolarHBondContact O-N 3.01Å; D1651-L1655 VanDerWaalsContact O-CB 3.3Å; D1651-L1655 WeakPolarHBondContact O-CB 3.37Å; D1651-L1655 PolarHBondContact O-N 2.76Å |
| 1652 | E | 82.7 | Confident | 75.5 | Confident | 81 Ų | 81 | 49.8 Ų | 49.8 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 172.9 | -75.4 | 177.6 | -177.6 | 0 | 0 | 112.4 | I1648 R1650 L1655 Y1656 | I1648-E1652 HydrophobicContact CG2-CG 4.2Å; I1648-E1652 WeakPolarHBondContact CG2-OE1 3.31Å; I1648-E1652 WeakPolarHBondContact O-CB 3.15Å; I1648-E1652 VanDerWaalsContact O-CG 3.3Å; I1648-E1652 WeakPolarHBondContact O-CG 3.45Å; I1648-E1652 PolarHBondContact O-N 2.74Å; R1650-E1652 VanDerWaalsContact C-N 3.35Å; E1652-L1655 PolarHBondContact O-N 2.78Å; E1652-Y1656 WeakPolarHBondContact O-CB 3.43Å; E1652-Y1656 PolarHBondContact O-N 2.8Å |
| 1653 | L | 84.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.7 | -73.7 | 172.4 | 0 | 0 | 0 | 111.9 | P1569 V1572 R1573 I1621 V1649 R1650 Y1656 I1657 | P1569-L1653 HydrophobicContact CB-CD1 3.91Å; P1569-L1653 HydrophobicContact CB-CD2 4.23Å; P1569-L1653 HydrophobicContact CG-CD1 4.06Å; V1572-L1653 HydrophobicContact CB-CD2 4.32Å; V1572-L1653 HydrophobicContact CG1-CB 4.35Å; V1572-L1653 HydrophobicContact CG1-CD2 3.99Å; R1573-L1653 HydrophobicContact CG-CD2 4.44Å; I1621-L1653 HydrophobicContact CD1-CB 4.25Å; V1649-L1653 HydrophobicContact CG1-CD1 3.94Å; V1649-L1653 HydrophobicContact CG1-CG 4.35Å; V1649-L1653 WeakPolarHBondContact O-CB 3.42Å; V1649-L1653 WeakPolarHBondContact O-CG 3.5Å; V1649-L1653 PolarHBondContact O-N 2.85Å; R1650-L1653 PolarHBondContact O-N 2.87Å; L1653-Y1656 WeakPolarHBondContact O-CB 3.23Å; L1653-Y1656 PolarHBondContact O-N 2.82Å; L1653-I1657 VanDerWaalsContact O-CG1 3.23Å; L1653-I1657 WeakPolarHBondContact O-CG1 3.43Å; L1653-I1657 PolarHBondContact O-N 2.85Å |
| 1654 | L | 85.8 | Confident | 79.2 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 176 | -177.9 | 150 | 0 | 0 | 0 | 110.5 | I1621 R1650 D1651 Y1656 I1657 W1658 L1702 P1704 | I1621-L1654 HydrophobicContact CD1-CB 4.11Å; R1650-L1654 VanDerWaalsContact O-CB 3.22Å; R1650-L1654 WeakPolarHBondContact O-CB 3.44Å; R1650-L1654 PolarHBondContact O-N 2.67Å; D1651-L1654 PolarHBondContact O-N 3.01Å; L1654-Y1656 VanDerWaalsContact C-N 3.34Å; L1654-Y1656 PolarHBondContact O-N 2.99Å; L1654-I1657 PolarHBondContact O-N 3.49Å; L1654-W1658 PolarHBondContact O-N 2.83Å; L1654-W1658 VanDerWaalsContact O-N 3.11Å; L1654-L1702 HydrophobicContact CD1-CB 4.22Å; L1654-L1702 HydrophobicContact CD1-CD2 3.62Å; L1654-L1702 WeakPolarHBondContact CD2-O 3.42Å; L1654-P1704 HydrophobicContact CD2-CG 4.49Å |
| 1655 | L | 83.8 | Confident | 80.6 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 174.3 | -173.8 | 66 | 0 | 0 | 0 | 111.2 | D1651 E1652 I1657 W1658 C1659 P1704 Q1708 L1709 A1712 | D1651-L1655 VanDerWaalsContact O-CB 3.3Å; D1651-L1655 WeakPolarHBondContact O-CB 3.37Å; D1651-L1655 PolarHBondContact O-N 2.76Å; E1652-L1655 PolarHBondContact O-N 2.78Å; L1655-I1657 PolarHBondContact O-N 2.86Å; L1655-W1658 PolarHBondContact O-N 2.79Å; L1655-C1659 WeakPolarHBondContact O-CB 3.44Å; L1655-C1659 PolarHBondContact O-N 2.92Å; L1655-C1659 PolarHBondContact O-SG 3.32Å; L1655-P1704 HydrophobicContact CD1-CB 4.23Å; L1655-Q1708 HydrophobicContact CD1-CB 4.33Å; L1655-L1709 HydrophobicContact CD1-CD2 4.06Å; L1655-A1712 HydrophobicContact CD1-CB 4.49Å; L1655-A1712 HydrophobicContact CD2-CB 4.15Å; L1655-A1712 HydrophobicContact CG-CB 4.33Å |
| 1656 | Y | 86.5 | Confident | 81.3 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 175.2 | 173.5 | -98.5 | 0 | 0 | 0 | 112 | R1573 V1576 N1577 E1652 L1653 L1654 W1658 C1659 Q1660 E1714 | R1573-Y1656 HydrophobicContact CB-CE1 4.46Å; R1573-Y1656 HydrophobicContact CG-CD1 4.46Å; R1573-Y1656 HydrophobicContact CG-CE1 4.02Å; V1576-Y1656 HydrophobicContact CB-CE1 3.94Å; V1576-Y1656 HydrophobicContact CG1-CE1 3.84Å; V1576-Y1656 HydrophobicContact CG2-CE1 4.22Å; N1577-Y1656 PolarHBondContact OD1-OH 3.22Å; E1652-Y1656 WeakPolarHBondContact O-CB 3.43Å; E1652-Y1656 PolarHBondContact O-N 2.8Å; L1653-Y1656 WeakPolarHBondContact O-CB 3.23Å; L1653-Y1656 PolarHBondContact O-N 2.82Å; L1654-Y1656 VanDerWaalsContact C-N 3.34Å; L1654-Y1656 PolarHBondContact O-N 2.99Å; Y1656-W1658 VanDerWaalsContact C-N 3.33Å; Y1656-W1658 PolarHBondContact O-N 2.93Å; Y1656-C1659 PolarHBondContact O-N 3.39Å; Y1656-Q1660 HydrophobicContact CD1-CG 4.45Å; Y1656-Q1660 HydrophobicContact CD2-CG 4.23Å; Y1656-Q1660 HydrophobicContact CE1-CG 4.08Å; Y1656-Q1660 HydrophobicContact CE2-CG 3.87Å; Y1656-Q1660 VanDerWaalsContact O-CG 3.3Å; Y1656-Q1660 WeakPolarHBondContact O-CG 3.48Å; Y1656-Q1660 PolarHBondContact O-N 3.19Å; Y1656-E1714 WeakPolarHBondContact CD2-OE1 3.28Å |
| 1657 | I | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 178.8 | -68.8 | 166.1 | 0 | 0 | 0 | 110.3 | V1572 V1576 F1614 A1617 F1618 I1621 L1653 L1654 L1655 Q1660 A1661 | V1572-I1657 HydrophobicContact CG1-CD1 3.8Å; V1572-I1657 HydrophobicContact CG1-CG1 3.91Å; V1576-I1657 HydrophobicContact CG2-CG1 3.85Å; F1614-I1657 HydrophobicContact CD1-CG2 3.57Å; F1614-I1657 HydrophobicContact CE1-CG2 3.87Å; F1614-I1657 WeakPolarHBondContact CE1-O 2.94Å; A1617-I1657 HydrophobicContact CB-CD1 3.66Å; A1617-I1657 HydrophobicContact CB-CG1 4.11Å; F1618-I1657 HydrophobicContact CE1-CG2 4.26Å; F1618-I1657 HydrophobicContact CE2-CG2 3.74Å; F1618-I1657 HydrophobicContact CZ-CG2 3.58Å; I1621-I1657 HydrophobicContact CD1-CD1 3.3Å; I1621-I1657 HydrophobicContact CG1-CD1 4.33Å; L1653-I1657 VanDerWaalsContact O-CG1 3.23Å; L1653-I1657 WeakPolarHBondContact O-CG1 3.43Å; L1653-I1657 PolarHBondContact O-N 2.85Å; L1654-I1657 PolarHBondContact O-N 3.49Å; L1655-I1657 PolarHBondContact O-N 2.86Å; I1657-Q1660 PolarHBondContact O-N 3.37Å; I1657-A1661 WeakPolarHBondContact O-CB 3.41Å; I1657-A1661 PolarHBondContact O-N 3.1Å |
| 1658 | W | 87.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -39.4 | -178.9 | -74 | 113.5 | 0 | 0 | 0 | 113.1 | F1618 L1654 L1655 Y1656 Q1660 A1661 I1662 I1685 L1688 V1689 L1692 V1699 L1702 L1703 P1704 L1709 | F1618-W1658 HydrophobicContact CE1-CZ2 4.23Å; F1618-W1658 HydrophobicContact CZ-CD2 4.41Å; F1618-W1658 AromaticContact CZ-CE2 3.77Å; F1618-W1658 HydrophobicContact CZ-CH2 4.31Å; F1618-W1658 AromaticContact CZ-CZ2 3.73Å; F1618-W1658 HydrophobicContact CZ-CZ2 3.73Å; F1618-W1658 AromaticContact CZ-NE1 3.99Å; L1654-W1658 PolarHBondContact O-N 2.83Å; L1654-W1658 VanDerWaalsContact O-N 3.11Å; L1655-W1658 PolarHBondContact O-N 2.79Å; Y1656-W1658 VanDerWaalsContact C-N 3.33Å; Y1656-W1658 PolarHBondContact O-N 2.93Å; W1658-Q1660 VanDerWaalsContact C-N 3.32Å; W1658-Q1660 PolarHBondContact O-N 2.98Å; W1658-A1661 HydrophobicContact CE3-CB 4.44Å; W1658-A1661 PolarHBondContact O-N 2.75Å; W1658-I1662 WeakPolarHBondContact O-CD1 3.44Å; W1658-I1662 WeakPolarHBondContact O-CG1 3.29Å; W1658-I1662 PolarHBondContact O-N 3.37Å; W1658-I1685 HydrophobicContact CE3-CG2 4.37Å; W1658-I1685 HydrophobicContact CZ3-CG2 4.01Å; W1658-L1688 HydrophobicContact CZ3-CD2 4.14Å; W1658-V1689 HydrophobicContact CH2-CG2 3.64Å; W1658-V1689 HydrophobicContact CZ3-CG2 3.87Å; W1658-L1692 HydrophobicContact CH2-CD1 4.19Å; W1658-L1692 HydrophobicContact CZ2-CD1 4.48Å; W1658-V1699 HydrophobicContact CH2-CG1 4.42Å; W1658-V1699 HydrophobicContact CZ2-CG1 4.5Å; W1658-L1702 PolarHBondContact NE1-O 3.09Å; W1658-L1703 HydrophobicContact CH2-CD1 3.83Å; W1658-L1703 HydrophobicContact CZ2-CD1 3.81Å; W1658-L1703 HydrophobicContact CZ3-CD1 4.5Å; W1658-P1704 HydrophobicContact CB-CG 3.94Å; W1658-P1704 HydrophobicContact CG-CG 3.85Å; W1658-L1709 HydrophobicContact CB-CD2 4.05Å |
| 1659 | C | 85.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 175 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | L1655 Y1656 I1662 R1663 A1712 E1714 L1715 | L1655-C1659 WeakPolarHBondContact O-CB 3.44Å; L1655-C1659 PolarHBondContact O-N 2.92Å; L1655-C1659 PolarHBondContact O-SG 3.32Å; Y1656-C1659 PolarHBondContact O-N 3.39Å; C1659-I1662 PolarHBondContact O-N 3.24Å; C1659-R1663 WeakPolarHBondContact O-CG 3.43Å; C1659-R1663 PolarHBondContact O-N 3.44Å; C1659-A1712 VanDerWaalsContact SG-CB 3.56Å; C1659-E1714 HydrophobicContact CB-CB 4.01Å; C1659-E1714 WeakPolarHBondContact CB-OE2 3.35Å; C1659-L1715 HydrophobicContact CB-CD1 4.22Å; C1659-L1715 HydrophobicContact CB-CG 4.16Å |
| 1660 | Q | 86 | Confident | 79 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | 175.5 | -64.9 | -55.1 | -25.1 | 0 | 0 | 112.4 | V1576 I1580 F1614 Y1656 I1657 W1658 I1662 R1663 M1664 | V1576-Q1660 HydrophobicContact CG1-CB 3.45Å; V1576-Q1660 VanDerWaalsContact CG1-CB 3.45Å; V1576-Q1660 HydrophobicContact CG1-CG 3.66Å; I1580-Q1660 HydrophobicContact CD1-CB 4.1Å; I1580-Q1660 HydrophobicContact CD1-CG 4.01Å; I1580-Q1660 VanDerWaalsContact CD1-OE1 3.25Å; F1614-Q1660 HydrophobicContact CZ-CB 4.42Å; Y1656-Q1660 HydrophobicContact CD1-CG 4.45Å; Y1656-Q1660 HydrophobicContact CD2-CG 4.23Å; Y1656-Q1660 HydrophobicContact CE1-CG 4.08Å; Y1656-Q1660 HydrophobicContact CE2-CG 3.87Å; Y1656-Q1660 VanDerWaalsContact O-CG 3.3Å; Y1656-Q1660 WeakPolarHBondContact O-CG 3.48Å; Y1656-Q1660 PolarHBondContact O-N 3.19Å; I1657-Q1660 PolarHBondContact O-N 3.37Å; W1658-Q1660 VanDerWaalsContact C-N 3.32Å; W1658-Q1660 PolarHBondContact O-N 2.98Å; Q1660-I1662 VanDerWaalsContact C-N 3.29Å; Q1660-I1662 PolarHBondContact O-N 2.87Å; Q1660-R1663 PolarHBondContact O-N 2.83Å; Q1660-R1663 VanDerWaalsContact O-N 3.16Å; Q1660-M1664 WeakPolarHBondContact O-CG 3.23Å; Q1660-M1664 PolarHBondContact O-N 2.71Å |
| 1661 | A | 86 | Confident | 77.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1614 I1657 W1658 R1663 M1664 F1684 L1688 | F1614-A1661 HydrophobicContact CD1-CB 4.32Å; F1614-A1661 HydrophobicContact CE1-CB 3.72Å; F1614-A1661 HydrophobicContact CZ-CB 4.17Å; I1657-A1661 WeakPolarHBondContact O-CB 3.41Å; I1657-A1661 PolarHBondContact O-N 3.1Å; W1658-A1661 HydrophobicContact CE3-CB 4.44Å; W1658-A1661 PolarHBondContact O-N 2.75Å; A1661-R1663 VanDerWaalsContact C-N 3.33Å; A1661-M1664 WeakPolarHBondContact O-CB 3.35Å; A1661-M1664 WeakPolarHBondContact O-CG 3.38Å; A1661-M1664 PolarHBondContact O-N 3.3Å; A1661-F1684 HydrophobicContact CB-CD1 4.28Å; A1661-F1684 HydrophobicContact CB-CE1 4.22Å; A1661-L1688 HydrophobicContact CB-CD2 3.94Å |
| 1662 | I | 83.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.7 | -68.5 | 155 | 0 | 0 | 0 | 111.8 | W1658 C1659 Q1660 M1664 D1665 W1667 I1685 L1709 L1715 F1724 I1728 | W1658-I1662 WeakPolarHBondContact O-CD1 3.44Å; W1658-I1662 WeakPolarHBondContact O-CG1 3.29Å; W1658-I1662 PolarHBondContact O-N 3.37Å; C1659-I1662 PolarHBondContact O-N 3.24Å; Q1660-I1662 VanDerWaalsContact C-N 3.29Å; Q1660-I1662 PolarHBondContact O-N 2.87Å; I1662-M1664 PolarHBondContact O-N 3.44Å; I1662-D1665 PolarHBondContact O-N 3.22Å; I1662-W1667 HydrophobicContact CG2-CZ2 4.26Å; I1662-W1667 PolarHBondContact O-NE1 3.12Å; I1662-I1685 HydrophobicContact CB-CD1 3.94Å; I1662-I1685 HydrophobicContact CG1-CD1 3.27Å; I1662-I1685 HydrophobicContact CG1-CG1 4.05Å; I1662-I1685 HydrophobicContact CG2-CD1 4.37Å; I1662-L1709 HydrophobicContact CD1-CD1 3.99Å; I1662-L1709 HydrophobicContact CD1-CD2 3.73Å; I1662-L1709 HydrophobicContact CD1-CG 4.35Å; I1662-L1715 HydrophobicContact CB-CD2 4.25Å; I1662-L1715 HydrophobicContact CD1-CD1 3.81Å; I1662-L1715 HydrophobicContact CG2-CD2 3.91Å; I1662-F1724 HydrophobicContact CG2-CE2 3.94Å; I1662-F1724 HydrophobicContact CG2-CZ 3.83Å; I1662-I1728 HydrophobicContact CG2-CD1 4.1Å |
| 1663 | R | 83 | Confident | 75 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6.9 | 179.5 | -70.1 | 178.9 | 62.9 | 165.7 | -2.6 | 114.1 | C1659 Q1660 A1661 D1665 E1714 L1715 | C1659-R1663 WeakPolarHBondContact O-CG 3.43Å; C1659-R1663 PolarHBondContact O-N 3.44Å; Q1660-R1663 PolarHBondContact O-N 2.83Å; Q1660-R1663 VanDerWaalsContact O-N 3.16Å; A1661-R1663 VanDerWaalsContact C-N 3.33Å; R1663-D1665 PolarHBondContact O-N 2.69Å; R1663-E1714 PolarHBondContact NH1-O 3.49Å; R1663-L1715 HydrophobicContact CG-CD2 3.88Å |
| 1664 | M | 81.7 | Confident | 73.7 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.5 | 175.8 | -59.5 | -57 | -77.8 | 0 | 0 | 111.8 | A1579 I1580 N1583 M1610 F1614 Q1660 A1661 I1662 F1684 | A1579-M1664 HydrophobicContact CB-CE 4.39Å; A1579-M1664 WeakPolarHBondContact O-CE 3.31Å; I1580-M1664 HydrophobicContact CG1-SD 3.86Å; N1583-M1664 HydrophobicContact CB-CE 3.36Å; N1583-M1664 HydrophobicContact CB-SD 4.35Å; N1583-M1664 PolarHBondContact ND2-O 2.84Å; M1610-M1664 HydrophobicContact CE-CE 3.32Å; M1610-M1664 HydrophobicContact SD-CE 4.38Å; F1614-M1664 HydrophobicContact CE2-CE 4.35Å; F1614-M1664 HydrophobicContact CE2-CG 4.39Å; F1614-M1664 HydrophobicContact CE2-SD 4.38Å; F1614-M1664 HydrophobicContact CZ-CG 4.31Å; F1614-M1664 HydrophobicContact CZ-SD 4.43Å; Q1660-M1664 WeakPolarHBondContact O-CG 3.23Å; Q1660-M1664 PolarHBondContact O-N 2.71Å; A1661-M1664 WeakPolarHBondContact O-CB 3.35Å; A1661-M1664 WeakPolarHBondContact O-CG 3.38Å; A1661-M1664 PolarHBondContact O-N 3.3Å; I1662-M1664 PolarHBondContact O-N 3.44Å; M1664-F1684 HydrophobicContact CB-CB 3.9Å; M1664-F1684 HydrophobicContact CB-CD1 3.68Å; M1664-F1684 HydrophobicContact CB-CE1 4.37Å; M1664-F1684 HydrophobicContact CB-CG 3.78Å; M1664-F1684 HydrophobicContact CG-CD1 3.58Å; M1664-F1684 HydrophobicContact CG-CE1 3.8Å; M1664-F1684 HydrophobicContact CG-CG 4.13Å |
| 1665 | D | 81.3 | Confident | 72.9 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -96.9 | 152.2 | 177.8 | -59.7 | -56.6 | 0 | 0 | 0 | 111.9 | I1662 R1663 W1667 S1683 F1684 | I1662-D1665 PolarHBondContact O-N 3.22Å; R1663-D1665 PolarHBondContact O-N 2.69Å; D1665-W1667 HydrophobicContact CB-CZ2 4.43Å; D1665-W1667 VanDerWaalsContact O-CD1 3.3Å; D1665-S1683 WeakPolarHBondContact OD2-CA 3.3Å; D1665-S1683 VanDerWaalsContact OD2-CB 3.25Å; D1665-S1683 WeakPolarHBondContact OD2-CB 3.42Å; D1665-F1684 VanDerWaalsContact CG-N 3.31Å; D1665-F1684 PolarHBondContact OD1-N 3.18Å; D1665-F1684 VanDerWaalsContact OD1-N 3.1Å; D1665-F1684 WeakPolarHBondContact OD2-CB 3.48Å; D1665-F1684 PolarHBondContact OD2-N 2.94Å |
| 1666 | E | 75 | Confident | 72.1 | Confident | 144 Ų | 144 | 61.8 Ų | 61.8 | 67% | 0.673 | 35% | 0.347 | S | S | * | . | trans | -90.8 | 121.3 | 172 | -72 | -178.4 | -175.9 | 0 | 0 | 110.6 | K1587 | K1587-E1666 IonicContact NZ-OE1 3.29Š| ||
| 1667 | W | 74.7 | Confident | 71.3 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 11% | 0.106 | 36% | 0.361 | C | S | . | . | trans | -99.6 | 1.2 | -176.5 | -60.6 | 89.6 | 0 | 0 | 0 | 113.8 | I1662 D1665 I1685 F1724 L1727 I1728 | I1662-W1667 HydrophobicContact CG2-CZ2 4.26Å; I1662-W1667 PolarHBondContact O-NE1 3.12Å; D1665-W1667 HydrophobicContact CB-CZ2 4.43Å; D1665-W1667 VanDerWaalsContact O-CD1 3.3Å; W1667-I1685 HydrophobicContact CZ2-CD1 4.03Å; W1667-F1724 HydrophobicContact CB-CD2 3.79Å; W1667-F1724 HydrophobicContact CB-CE2 4.33Å; W1667-F1724 AromaticContact CD1-CE2 3.78Å; W1667-F1724 AromaticContact CD2-CD2 3.66Å; W1667-F1724 HydrophobicContact CD2-CD2 3.66Å; W1667-F1724 AromaticContact CD2-CE2 3.67Å; W1667-F1724 HydrophobicContact CD2-CE2 3.67Å; W1667-F1724 AromaticContact CE2-CE2 3.84Å; W1667-F1724 AromaticContact CE3-CD2 3.98Å; W1667-F1724 HydrophobicContact CE3-CD2 3.98Å; W1667-F1724 HydrophobicContact CE3-CE2 4.28Å; W1667-F1724 AromaticContact CG-CD2 3.56Å; W1667-F1724 HydrophobicContact CG-CD2 3.56Å; W1667-F1724 AromaticContact CG-CE2 3.66Å; W1667-F1724 HydrophobicContact CG-CE2 3.66Å; W1667-F1724 AromaticContact NE1-CE2 3.88Å; W1667-L1727 HydrophobicContact CE3-CB 4.27Å; W1667-L1727 HydrophobicContact CE3-CD1 4.04Å; W1667-L1727 HydrophobicContact CZ3-CB 3.93Å; W1667-L1727 HydrophobicContact CZ3-CD1 4.33Å; W1667-I1728 HydrophobicContact CH2-CD1 3.63Å; W1667-I1728 HydrophobicContact CZ2-CD1 3.73Å; W1667-I1728 HydrophobicContact CZ3-CD1 4.16Å | ||
| 1668 | S | 62.1 | Low | 70.5 | Confident | 88 Ų | 88 | 69 Ų | 69 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | trans | -73.6 | 141 | -174.8 | 43.1 | 0 | 0 | 0 | 0 | 114.1 | S1670 | S1668-S1670 PolarHBondContact O-N 2.97Š| ||
| 1669 | T | 51.8 | Low | 69.9 | Low | 99 Ų | 99 | 71.9 Ų | 71.9 | 61% | 0.607 | 40% | 0.398 | S | S | * | . | trans | -60.3 | 88.2 | -171.1 | 23.7 | 0 | 0 | 0 | 0 | 115.6 | Q1723 | T1669-Q1723 VanDerWaalsContact CG2-OE1 3.26Š| ||
| 1670 | S | 49.6 | Very low | 69.4 | Low | 106 Ų | 106 | 72.1 Ų | 72.1 | 74% | 0.741 | 40% | 0.399 | S | S | * | . | trans | -86.3 | 118 | 155.3 | 57.8 | 0 | 0 | 0 | 0 | 109 | S1668 D1672 | S1668-S1670 PolarHBondContact O-N 2.97Å; S1670-D1672 VanDerWaalsContact C-N 3.28Å; S1670-D1672 PolarHBondContact O-N 3.04Å | ||
| 1671 | G | 49.6 | Very low | 68.8 | Low | 84 Ų | 84 | 74.6 Ų | 74.6 | 87% | 0.866 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -74.5 | 44.7 | -158.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 1672 | D | 56.4 | Low | 68.2 | Low | 127 Ų | 127 | 82 Ų | 82 | 68% | 0.679 | 45% | 0.45 | S | S | * | . | trans | -107.8 | 130.6 | 168.7 | -100.1 | -32.6 | 0 | 0 | 0 | 111.8 | S1670 H1674 | S1670-D1672 VanDerWaalsContact C-N 3.28Å; S1670-D1672 PolarHBondContact O-N 3.04Å; D1672-H1674 VanDerWaalsContact C-N 3.27Å; D1672-H1674 PolarHBondContact O-N 3.25Å | ||
| 1673 | I | 52.5 | Low | 68.1 | Low | 180 Ų | 180 | 82.3 Ų | 82.3 | 92% | 0.923 | 45% | 0.452 | S | S | * | . | trans | -70.8 | 80.6 | -178.2 | -54.6 | 165.2 | 0 | 0 | 0 | 108.5 | ||||
| 1674 | H | 57.1 | Low | 68.2 | Low | 111 Ų | 111 | 76.7 Ų | 76.7 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | trans | -93.8 | 146 | 172 | -74.1 | -64 | 0 | 0 | 0 | 111.4 | D1672 I1679 | D1672-H1674 VanDerWaalsContact C-N 3.27Å; D1672-H1674 PolarHBondContact O-N 3.25Å; H1674-I1679 HydrophobicContact CB-CD1 4.15Å; H1674-I1679 HydrophobicContact CB-CG1 4.21Å | ||
| 1675 | D | 69.1 | Low | 68.3 | Low | 94 Ų | 94 | 76.5 Ų | 76.5 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | trans | -59.2 | 125.1 | 178.3 | -168.4 | -21.8 | 0 | 0 | 0 | 109.4 | I1677 Q1678 I1679 | D1675-I1677 PolarHBondContact O-N 3.31Å; D1675-I1677 VanDerWaalsContact O-N 3.09Å; D1675-I1677 PolarHBondContact OD1-N 3.17Å; D1675-Q1678 HydrophobicContact CB-CB 4.29Å; D1675-Q1678 WeakPolarHBondContact O-CB 3.45Å; D1675-Q1678 PolarHBondContact O-N 2.9Å; D1675-I1679 PolarHBondContact O-N 3.04Å | ||
| 1676 | P | 67.7 | Low | 68.2 | Low | 24 Ų | 24 | 74.9 Ų | 74.9 | 16% | 0.156 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -53.7 | -32.8 | -178 | 21.2 | -35.6 | 0 | 0 | 0 | 112.9 | Q1678 C1680 Y1726 L1727 | P1676-Q1678 VanDerWaalsContact C-N 3.32Å; P1676-Q1678 PolarHBondContact O-N 2.68Å; P1676-C1680 WeakPolarHBondContact O-CB 3.41Å; P1676-C1680 PolarHBondContact O-N 2.94Å; P1676-C1680 PolarHBondContact O-SG 3.09Å; P1676-Y1726 HydrophobicContact CB-CE1 4.01Å; P1676-Y1726 HydrophobicContact CG-CE1 3.87Å; P1676-L1727 HydrophobicContact CB-CD2 3.78Å |
| 1677 | I | 69 | Low | 68.6 | Low | 72 Ų | 72 | 69.5 Ų | 69.5 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.3 | -61.6 | 172 | 0 | 0 | 0 | 110.6 | D1675 C1680 T1681 | D1675-I1677 PolarHBondContact O-N 3.31Å; D1675-I1677 VanDerWaalsContact O-N 3.09Å; D1675-I1677 PolarHBondContact OD1-N 3.17Å; I1677-C1680 PolarHBondContact O-N 3.45Å; I1677-T1681 HydrophobicContact CG2-CG2 4.17Å; I1677-T1681 WeakPolarHBondContact O-CG2 3.34Å; I1677-T1681 PolarHBondContact O-N 2.78Å; I1677-T1681 PolarHBondContact O-OG1 2.87Å |
| 1678 | Q | 72.7 | Confident | 69 | Low | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -43.8 | -177.9 | -165.4 | 175.6 | 8.2 | 0 | 0 | 111.5 | D1675 P1676 T1681 Q1682 | D1675-Q1678 HydrophobicContact CB-CB 4.29Å; D1675-Q1678 WeakPolarHBondContact O-CB 3.45Å; D1675-Q1678 PolarHBondContact O-N 2.9Å; P1676-Q1678 VanDerWaalsContact C-N 3.32Å; P1676-Q1678 PolarHBondContact O-N 2.68Å; Q1678-T1681 WeakPolarHBondContact CA-OG1 3.11Å; Q1678-T1681 PolarHBondContact O-N 2.83Å; Q1678-T1681 PolarHBondContact O-OG1 2.98Å; Q1678-Q1682 PolarHBondContact O-N 3.2Å |
| 1679 | I | 74 | Confident | 70 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 174.5 | -61.3 | 171 | 0 | 0 | 0 | 109.6 | H1674 D1675 T1681 Q1682 S1683 L1727 | H1674-I1679 HydrophobicContact CB-CD1 4.15Å; H1674-I1679 HydrophobicContact CB-CG1 4.21Å; D1675-I1679 PolarHBondContact O-N 3.04Å; I1679-T1681 VanDerWaalsContact C-N 3.34Å; I1679-T1681 PolarHBondContact O-N 2.81Å; I1679-Q1682 PolarHBondContact O-N 3.07Å; I1679-Q1682 VanDerWaalsContact O-N 3.16Å; I1679-S1683 PolarHBondContact O-N 3.12Å; I1679-L1727 HydrophobicContact CB-CD2 4.48Å; I1679-L1727 HydrophobicContact CD1-CD2 4.05Å |
| 1680 | C | 74.1 | Confident | 71.3 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.027 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.8 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | P1676 I1677 Q1682 S1683 C1686 L1727 G1731 | P1676-C1680 WeakPolarHBondContact O-CB 3.41Å; P1676-C1680 PolarHBondContact O-N 2.94Å; P1676-C1680 PolarHBondContact O-SG 3.09Å; I1677-C1680 PolarHBondContact O-N 3.45Å; C1680-Q1682 PolarHBondContact O-N 2.99Å; C1680-S1683 WeakPolarHBondContact O-CB 3.36Å; C1680-S1683 PolarHBondContact O-N 2.86Å; C1680-S1683 VanDerWaalsContact O-N 3.17Å; C1680-S1683 PolarHBondContact O-OG 3.33Å; C1680-C1686 WeakPolarHBondContact O-CB 3.45Å; C1680-C1686 PolarHBondContact O-SG 2.78Å; C1680-L1727 PolarHBondContact SG-O 2.93Å; C1680-G1731 WeakPolarHBondContact SG-CA 3.14Å |
| 1681 | T | 73.1 | Confident | 72.9 | Confident | 72 Ų | 72 | 59 Ų | 59 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -23.3 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 114 | I1677 Q1678 I1679 | I1677-T1681 HydrophobicContact CG2-CG2 4.17Å; I1677-T1681 WeakPolarHBondContact O-CG2 3.34Å; I1677-T1681 PolarHBondContact O-N 2.78Å; I1677-T1681 PolarHBondContact O-OG1 2.87Å; Q1678-T1681 WeakPolarHBondContact CA-OG1 3.11Å; Q1678-T1681 PolarHBondContact O-N 2.83Å; Q1678-T1681 PolarHBondContact O-OG1 2.98Å; I1679-T1681 VanDerWaalsContact C-N 3.34Å; I1679-T1681 PolarHBondContact O-N 2.81Å |
| 1682 | Q | 74.6 | Confident | 74.3 | Confident | 154 Ų | 154 | 55.1 Ų | 55.1 | 72% | 0.72 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -90.5 | -11.7 | 176.5 | -68.2 | 180 | -9.7 | 0 | 0 | 113.1 | Q1678 I1679 C1680 | Q1678-Q1682 PolarHBondContact O-N 3.2Å; I1679-Q1682 PolarHBondContact O-N 3.07Å; I1679-Q1682 VanDerWaalsContact O-N 3.16Å; C1680-Q1682 PolarHBondContact O-N 2.99Å |
| 1683 | S | 81 | Confident | 75.3 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -65.7 | 150.2 | -179.8 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | D1665 I1679 C1680 I1685 C1686 A1687 | D1665-S1683 WeakPolarHBondContact OD2-CA 3.3Å; D1665-S1683 VanDerWaalsContact OD2-CB 3.25Å; D1665-S1683 WeakPolarHBondContact OD2-CB 3.42Å; I1679-S1683 PolarHBondContact O-N 3.12Å; C1680-S1683 WeakPolarHBondContact O-CB 3.36Å; C1680-S1683 PolarHBondContact O-N 2.86Å; C1680-S1683 VanDerWaalsContact O-N 3.17Å; C1680-S1683 PolarHBondContact O-OG 3.33Å; S1683-I1685 PolarHBondContact O-N 2.85Å; S1683-C1686 PolarHBondContact O-N 3.39Å; S1683-C1686 PolarHBondContact OG-N 3.05Å; S1683-A1687 PolarHBondContact O-N 3.02Å; S1683-A1687 VanDerWaalsContact O-N 3.16Å |
| 1684 | F | 84.5 | Confident | 76.5 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56 | -38.5 | 171.3 | -179.2 | -99.2 | 0 | 0 | 0 | 112.1 | L1607 M1610 I1611 F1614 A1661 M1664 D1665 C1686 A1687 L1688 | L1607-F1684 HydrophobicContact CD1-CD2 3.71Å; L1607-F1684 HydrophobicContact CD1-CE2 4.02Å; M1610-F1684 HydrophobicContact CB-CE2 3.84Å; M1610-F1684 HydrophobicContact CB-CZ 4.25Å; M1610-F1684 HydrophobicContact CE-CD2 3.69Å; M1610-F1684 HydrophobicContact CE-CE2 3.51Å; M1610-F1684 HydrophobicContact CE-CZ 4.3Å; I1611-F1684 HydrophobicContact CG1-CE2 3.86Å; I1611-F1684 HydrophobicContact CG1-CZ 4.27Å; F1614-F1684 AromaticContact CD2-CE1 3.82Å; F1614-F1684 HydrophobicContact CD2-CE1 3.82Å; F1614-F1684 AromaticContact CD2-CZ 3.62Å; F1614-F1684 HydrophobicContact CD2-CZ 3.62Å; F1614-F1684 AromaticContact CE2-CE1 3.68Å; F1614-F1684 HydrophobicContact CE2-CE1 3.68Å; F1614-F1684 AromaticContact CE2-CZ 3.77Å; F1614-F1684 HydrophobicContact CE2-CZ 3.77Å; F1614-F1684 HydrophobicContact CG-CE1 4.29Å; F1614-F1684 HydrophobicContact CG-CZ 4.31Å; F1614-F1684 HydrophobicContact CZ-CE1 4.07Å; A1661-F1684 HydrophobicContact CB-CD1 4.28Å; A1661-F1684 HydrophobicContact CB-CE1 4.22Å; M1664-F1684 HydrophobicContact CB-CB 3.9Å; M1664-F1684 HydrophobicContact CB-CD1 3.68Å; M1664-F1684 HydrophobicContact CB-CE1 4.37Å; M1664-F1684 HydrophobicContact CB-CG 3.78Å; M1664-F1684 HydrophobicContact CG-CD1 3.58Å; M1664-F1684 HydrophobicContact CG-CE1 3.8Å; M1664-F1684 HydrophobicContact CG-CG 4.13Å; D1665-F1684 VanDerWaalsContact CG-N 3.31Å; D1665-F1684 PolarHBondContact OD1-N 3.18Å; D1665-F1684 VanDerWaalsContact OD1-N 3.1Å; D1665-F1684 WeakPolarHBondContact OD2-CB 3.48Å; D1665-F1684 PolarHBondContact OD2-N 2.94Å; F1684-C1686 PolarHBondContact O-N 3.23Å; F1684-A1687 PolarHBondContact O-N 3.16Å; F1684-L1688 HydrophobicContact CE1-CB 4.43Å; F1684-L1688 HydrophobicContact CE1-CD2 4.17Å; F1684-L1688 WeakPolarHBondContact O-CB 3.01Å; F1684-L1688 PolarHBondContact O-N 2.82Å |
| 1685 | I | 84.2 | Confident | 77.2 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 178.6 | -52.3 | 166.6 | 0 | 0 | 0 | 111 | W1658 I1662 W1667 S1683 A1687 L1688 V1689 I1728 M1735 | W1658-I1685 HydrophobicContact CE3-CG2 4.37Å; W1658-I1685 HydrophobicContact CZ3-CG2 4.01Å; I1662-I1685 HydrophobicContact CB-CD1 3.94Å; I1662-I1685 HydrophobicContact CG1-CD1 3.27Å; I1662-I1685 HydrophobicContact CG1-CG1 4.05Å; I1662-I1685 HydrophobicContact CG2-CD1 4.37Å; W1667-I1685 HydrophobicContact CZ2-CD1 4.03Å; S1683-I1685 PolarHBondContact O-N 2.85Å; I1685-A1687 VanDerWaalsContact C-N 3.31Å; I1685-A1687 PolarHBondContact O-N 2.87Å; I1685-L1688 PolarHBondContact O-N 3.3Å; I1685-V1689 HydrophobicContact CG2-CG2 4.41Å; I1685-V1689 WeakPolarHBondContact O-CB 3.18Å; I1685-V1689 WeakPolarHBondContact O-CG2 3.39Å; I1685-V1689 PolarHBondContact O-N 3.47Å; I1685-I1728 HydrophobicContact CD1-CD1 4.45Å; I1685-M1735 HydrophobicContact CG2-CE 3.77Å; I1685-M1735 HydrophobicContact CG2-SD 3.76Å |
| 1686 | C | 80.1 | Confident | 77.2 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 178.1 | -91.9 | 0 | 0 | 0 | 0 | 111.8 | C1680 S1683 F1684 S1690 M1735 | C1680-C1686 WeakPolarHBondContact O-CB 3.45Å; C1680-C1686 PolarHBondContact O-SG 2.78Å; S1683-C1686 PolarHBondContact O-N 3.39Å; S1683-C1686 PolarHBondContact OG-N 3.05Å; F1684-C1686 PolarHBondContact O-N 3.23Å; C1686-S1690 VanDerWaalsContact O-CB 3.26Å; C1686-S1690 WeakPolarHBondContact O-CB 3.26Å; C1686-S1690 PolarHBondContact O-N 2.81Å; C1686-S1690 PolarHBondContact O-OG 2.72Å; C1686-M1735 WeakPolarHBondContact SG-CG 3.45Å |
| 1687 | A | 82 | Confident | 77.2 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1611 S1683 F1684 I1685 N1691 | I1611-A1687 HydrophobicContact CD1-CB 4.2Å; S1683-A1687 PolarHBondContact O-N 3.02Å; S1683-A1687 VanDerWaalsContact O-N 3.16Å; F1684-A1687 PolarHBondContact O-N 3.16Å; I1685-A1687 VanDerWaalsContact C-N 3.31Å; I1685-A1687 PolarHBondContact O-N 2.87Å; A1687-N1691 VanDerWaalsContact O-CB 3.32Å; A1687-N1691 WeakPolarHBondContact O-CB 3.37Å; A1687-N1691 PolarHBondContact O-N 3.44Å |
| 1688 | L | 84.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 176.6 | 179.6 | 61.5 | 0 | 0 | 0 | 111.5 | I1611 F1614 F1618 W1658 A1661 F1684 I1685 S1690 N1691 L1692 | I1611-L1688 HydrophobicContact CG2-CD1 4.21Å; F1614-L1688 HydrophobicContact CB-CD1 3.69Å; F1614-L1688 HydrophobicContact CB-CD2 4.18Å; F1614-L1688 HydrophobicContact CD1-CD2 3.89Å; F1614-L1688 HydrophobicContact CG-CD1 4.44Å; F1614-L1688 HydrophobicContact CG-CD2 4.15Å; F1618-L1688 HydrophobicContact CE2-CD2 4.29Å; W1658-L1688 HydrophobicContact CZ3-CD2 4.14Å; A1661-L1688 HydrophobicContact CB-CD2 3.94Å; F1684-L1688 HydrophobicContact CE1-CB 4.43Å; F1684-L1688 HydrophobicContact CE1-CD2 4.17Å; F1684-L1688 WeakPolarHBondContact O-CB 3.01Å; F1684-L1688 PolarHBondContact O-N 2.82Å; I1685-L1688 PolarHBondContact O-N 3.3Å; L1688-S1690 PolarHBondContact O-N 3.26Å; L1688-N1691 PolarHBondContact O-N 2.69Å; L1688-N1691 VanDerWaalsContact O-N 3.14Å; L1688-L1692 HydrophobicContact CD1-CD1 4.16Å; L1688-L1692 HydrophobicContact CD1-CG 4.21Å; L1688-L1692 HydrophobicContact CG-CD1 4.01Å; L1688-L1692 HydrophobicContact CG-CG 4.47Å; L1688-L1692 WeakPolarHBondContact O-CG 3.46Å; L1688-L1692 PolarHBondContact O-N 2.91Å |
| 1689 | V | 81.9 | Confident | 77.3 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 176.9 | 164.9 | 0 | 0 | 0 | 0 | 111.2 | W1658 I1685 N1691 L1692 Y1693 V1699 L1703 M1735 L1739 | W1658-V1689 HydrophobicContact CH2-CG2 3.64Å; W1658-V1689 HydrophobicContact CZ3-CG2 3.87Å; I1685-V1689 HydrophobicContact CG2-CG2 4.41Å; I1685-V1689 WeakPolarHBondContact O-CB 3.18Å; I1685-V1689 WeakPolarHBondContact O-CG2 3.39Å; I1685-V1689 PolarHBondContact O-N 3.47Å; V1689-N1691 VanDerWaalsContact C-N 3.27Å; V1689-N1691 PolarHBondContact O-N 3.03Å; V1689-L1692 PolarHBondContact O-N 3Å; V1689-Y1693 WeakPolarHBondContact O-CB 3.5Å; V1689-Y1693 PolarHBondContact O-N 3.06Å; V1689-V1699 HydrophobicContact CB-CG1 4.46Å; V1689-V1699 HydrophobicContact CG1-CG1 4.08Å; V1689-V1699 HydrophobicContact CG2-CG1 4.14Å; V1689-L1703 HydrophobicContact CG2-CD1 4.06Å; V1689-M1735 HydrophobicContact CB-SD 4.2Å; V1689-M1735 HydrophobicContact CG1-SD 4.48Å; V1689-M1735 HydrophobicContact CG2-SD 3.72Å; V1689-L1739 HydrophobicContact CG1-CD1 3.97Å; V1689-L1739 HydrophobicContact CG1-CD2 4.15Å; V1689-L1739 HydrophobicContact CG1-CG 4.24Å |
| 1690 | S | 80.5 | Confident | 77.2 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | C1686 L1688 K1694 | C1686-S1690 VanDerWaalsContact O-CB 3.26Å; C1686-S1690 WeakPolarHBondContact O-CB 3.26Å; C1686-S1690 PolarHBondContact O-N 2.81Å; C1686-S1690 PolarHBondContact O-OG 2.72Å; L1688-S1690 PolarHBondContact O-N 3.26Å; S1690-K1694 WeakPolarHBondContact O-CB 3.33Å; S1690-K1694 VanDerWaalsContact O-CG 3.27Å; S1690-K1694 WeakPolarHBondContact O-CG 3.46Å; S1690-K1694 PolarHBondContact O-N 3.43Å |
| 1691 | N | 81.7 | Confident | 77.1 | Confident | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.9 | -47.9 | 176.8 | -161.3 | -77.8 | 0 | 0 | 0 | 111.3 | I1611 R1615 A1687 L1688 V1689 Y1693 K1694 N1695 | I1611-N1691 HydrophobicContact CG2-CB 3.7Å; I1611-N1691 VanDerWaalsContact CG2-CG 3.42Å; R1615-N1691 VanDerWaalsContact CD-OD1 3.31Å; R1615-N1691 WeakPolarHBondContact CD-OD1 2.96Å; A1687-N1691 VanDerWaalsContact O-CB 3.32Å; A1687-N1691 WeakPolarHBondContact O-CB 3.37Å; A1687-N1691 PolarHBondContact O-N 3.44Å; L1688-N1691 PolarHBondContact O-N 2.69Å; L1688-N1691 VanDerWaalsContact O-N 3.14Å; V1689-N1691 VanDerWaalsContact C-N 3.27Å; V1689-N1691 PolarHBondContact O-N 3.03Å; N1691-Y1693 VanDerWaalsContact C-N 3.31Å; N1691-Y1693 PolarHBondContact O-N 2.8Å; N1691-K1694 PolarHBondContact O-N 2.64Å; N1691-N1695 PolarHBondContact O-N 2.58Å; N1691-N1695 PolarHBondContact O-ND2 3.49Å; N1691-N1695 PolarHBondContact OD1-ND2 3.47Å |
| 1692 | L | 79.6 | Confident | 77.2 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 178 | -70.5 | 169.9 | 0 | 0 | 0 | 111.5 | R1615 F1618 W1658 L1688 V1689 N1695 G1696 V1697 V1699 | R1615-L1692 HydrophobicContact CG-CD2 3.95Å; F1618-L1692 HydrophobicContact CD2-CD1 3.92Å; F1618-L1692 HydrophobicContact CD2-CD2 3.84Å; F1618-L1692 HydrophobicContact CE2-CD1 3.63Å; F1618-L1692 HydrophobicContact CE2-CD2 4.39Å; F1618-L1692 HydrophobicContact CG-CD2 4.33Å; F1618-L1692 HydrophobicContact CZ-CD1 4.09Å; W1658-L1692 HydrophobicContact CH2-CD1 4.19Å; W1658-L1692 HydrophobicContact CZ2-CD1 4.48Å; L1688-L1692 HydrophobicContact CD1-CD1 4.16Å; L1688-L1692 HydrophobicContact CD1-CG 4.21Å; L1688-L1692 HydrophobicContact CG-CD1 4.01Å; L1688-L1692 HydrophobicContact CG-CG 4.47Å; L1688-L1692 WeakPolarHBondContact O-CG 3.46Å; L1688-L1692 PolarHBondContact O-N 2.91Å; V1689-L1692 PolarHBondContact O-N 3Å; L1692-N1695 PolarHBondContact O-N 3.19Å; L1692-N1695 VanDerWaalsContact O-N 3.15Å; L1692-G1696 PolarHBondContact O-N 3.21Å; L1692-V1697 HydrophobicContact CB-CB 4.36Å; L1692-V1697 HydrophobicContact CD2-CG2 4.35Å; L1692-V1697 PolarHBondContact O-N 2.55Å; L1692-V1699 HydrophobicContact CB-CG2 3.62Å |
| 1693 | Y | 77.6 | Confident | 77.3 | Confident | 47 Ų | 47 | 39.3 Ų | 39.3 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.3 | -175.4 | -100.1 | 0 | 0 | 0 | 112.7 | V1689 N1691 N1695 G1696 L1739 Q1742 N1743 | V1689-Y1693 WeakPolarHBondContact O-CB 3.5Å; V1689-Y1693 PolarHBondContact O-N 3.06Å; N1691-Y1693 VanDerWaalsContact C-N 3.31Å; N1691-Y1693 PolarHBondContact O-N 2.8Å; Y1693-N1695 PolarHBondContact O-N 3.4Å; Y1693-N1695 VanDerWaalsContact O-N 3.11Å; Y1693-G1696 PolarHBondContact O-N 3.14Å; Y1693-L1739 HydrophobicContact CD2-CD2 3.4Å; Y1693-L1739 HydrophobicContact CE2-CD2 4.1Å; Y1693-L1739 HydrophobicContact CG-CD2 3.72Å; Y1693-Q1742 HydrophobicContact CE1-CB 3.63Å; Y1693-Q1742 HydrophobicContact CE1-CG 4.35Å; Y1693-Q1742 VanDerWaalsContact OH-C 3.29Å; Y1693-Q1742 VanDerWaalsContact OH-CB 3.32Å; Y1693-Q1742 WeakPolarHBondContact OH-CB 3.49Å; Y1693-N1743 WeakPolarHBondContact CE2-OD1 3.32Å; Y1693-N1743 PolarHBondContact OH-N 3.22Å; Y1693-N1743 PolarHBondContact OH-OD1 3.09Å |
| 1694 | K | 77 | Confident | 77.2 | Confident | 174 Ų | 174 | 39.2 Ų | 39.2 | 76% | 0.757 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.9 | -23.1 | 176.1 | -78.5 | 175.8 | -177.8 | 178.6 | 0 | 113.6 | S1690 N1691 | S1690-K1694 WeakPolarHBondContact O-CB 3.33Å; S1690-K1694 VanDerWaalsContact O-CG 3.27Å; S1690-K1694 WeakPolarHBondContact O-CG 3.46Å; S1690-K1694 PolarHBondContact O-N 3.43Å; N1691-K1694 PolarHBondContact O-N 2.64Å |
| 1695 | N | 71.8 | Confident | 76.9 | Confident | 74 Ų | 74 | 40.4 Ų | 40.4 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.6 | 177.6 | -63.8 | -72.4 | 0 | 0 | 0 | 113.3 | R1615 N1691 L1692 Y1693 | R1615-N1695 VanDerWaalsContact NH1-CG 3.33Å; R1615-N1695 PolarHBondContact NH1-ND2 3.36Å; R1615-N1695 PolarHBondContact NH1-OD1 2.96Å; R1615-N1695 PolarHBondContact NH2-ND2 3.43Å; R1615-N1695 PolarHBondContact NH2-OD1 2.71Å; N1691-N1695 PolarHBondContact O-N 2.58Å; N1691-N1695 PolarHBondContact O-ND2 3.49Å; N1691-N1695 PolarHBondContact OD1-ND2 3.47Å; L1692-N1695 PolarHBondContact O-N 3.19Å; L1692-N1695 VanDerWaalsContact O-N 3.15Å; Y1693-N1695 PolarHBondContact O-N 3.4Å; Y1693-N1695 VanDerWaalsContact O-N 3.11Å |
| 1696 | G | 69.1 | Low | 76.5 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 74% | 0.742 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 14.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1692 Y1693 | L1692-G1696 PolarHBondContact O-N 3.21Å; Y1693-G1696 PolarHBondContact O-N 3.14Å |
| 1697 | V | 69 | Low | 76.5 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 22% | 0.218 | 28% | 0.28 | C | S | . | . | trans | -77.6 | 132.6 | 173 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | L1692 V1699 L1702 | L1692-V1697 HydrophobicContact CB-CB 4.36Å; L1692-V1697 HydrophobicContact CD2-CG2 4.35Å; L1692-V1697 PolarHBondContact O-N 2.55Å; V1697-V1699 VanDerWaalsContact O-CG2 3.29Å; V1697-V1699 WeakPolarHBondContact O-CG2 3.46Å; V1697-V1699 PolarHBondContact O-N 3.16Å; V1697-L1702 HydrophobicContact CG1-CD1 3.39Å | ||
| 1698 | D | 71.1 | Confident | 76.4 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | trans | -72.4 | 79.8 | 174 | 179.5 | 28 | 0 | 0 | 0 | 110.6 | I1700 S1701 | D1698-I1700 PolarHBondContact O-N 2.88Å; D1698-I1700 VanDerWaalsContact O-N 3.09Å; D1698-S1701 PolarHBondContact O-N 3.01Å; D1698-S1701 PolarHBondContact O-OG 3.41Å; D1698-S1701 VanDerWaalsContact OD2-CB 3.25Å; D1698-S1701 WeakPolarHBondContact OD2-CB 3.32Å; D1698-S1701 PolarHBondContact OD2-OG 3.29Å | ||
| 1699 | V | 72.2 | Confident | 76.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -24.8 | -175.2 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | W1658 V1689 L1692 V1697 L1702 L1703 L1739 | W1658-V1699 HydrophobicContact CH2-CG1 4.42Å; W1658-V1699 HydrophobicContact CZ2-CG1 4.5Å; V1689-V1699 HydrophobicContact CB-CG1 4.46Å; V1689-V1699 HydrophobicContact CG1-CG1 4.08Å; V1689-V1699 HydrophobicContact CG2-CG1 4.14Å; L1692-V1699 HydrophobicContact CB-CG2 3.62Å; V1697-V1699 VanDerWaalsContact O-CG2 3.29Å; V1697-V1699 WeakPolarHBondContact O-CG2 3.46Å; V1697-V1699 PolarHBondContact O-N 3.16Å; V1699-L1702 PolarHBondContact O-N 3.05Å; V1699-L1703 HydrophobicContact CG1-CD1 3.64Å; V1699-L1703 PolarHBondContact O-N 3.29Å; V1699-L1703 VanDerWaalsContact O-N 3.15Å; V1699-L1739 HydrophobicContact CB-CD1 4.19Å; V1699-L1739 HydrophobicContact CB-CD2 4.25Å; V1699-L1739 HydrophobicContact CG1-CD1 4.28Å; V1699-L1739 HydrophobicContact CG2-CD2 4.47Å |
| 1700 | I | 72.5 | Confident | 76.2 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 36% | 0.359 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.5 | -38.8 | -178 | -58.7 | 174.8 | 0 | 0 | 0 | 110.9 | D1698 L1702 L1739 | D1698-I1700 PolarHBondContact O-N 2.88Å; D1698-I1700 VanDerWaalsContact O-N 3.09Å; I1700-L1702 VanDerWaalsContact C-N 3.34Å; I1700-L1739 HydrophobicContact CD1-CB 4.22Å; I1700-L1739 HydrophobicContact CG1-CB 4.13Å; I1700-L1739 HydrophobicContact CG1-CD1 4.13Å |
| 1701 | S | 72.3 | Confident | 76.2 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 56% | 0.559 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77 | -21 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | D1698 | D1698-S1701 PolarHBondContact O-N 3.01Å; D1698-S1701 PolarHBondContact O-OG 3.41Å; D1698-S1701 VanDerWaalsContact OD2-CB 3.25Å; D1698-S1701 WeakPolarHBondContact OD2-CB 3.32Å; D1698-S1701 PolarHBondContact OD2-OG 3.29Å |
| 1702 | L | 73.7 | Confident | 76.1 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -93.2 | -7.8 | 179.1 | -64.1 | 173.9 | 0 | 0 | 0 | 114 | F1618 L1654 W1658 V1697 V1699 I1700 P1704 | F1618-L1702 HydrophobicContact CD1-CD1 4.12Å; F1618-L1702 HydrophobicContact CE1-CD1 4.48Å; L1654-L1702 HydrophobicContact CD1-CB 4.22Å; L1654-L1702 HydrophobicContact CD1-CD2 3.62Å; L1654-L1702 WeakPolarHBondContact CD2-O 3.42Å; W1658-L1702 PolarHBondContact NE1-O 3.09Å; V1697-L1702 HydrophobicContact CG1-CD1 3.39Å; V1699-L1702 PolarHBondContact O-N 3.05Å; I1700-L1702 VanDerWaalsContact C-N 3.34Å; L1702-P1704 WeakPolarHBondContact O-CD 3.42Å |
| 1703 | L | 76.5 | Confident | 76.1 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 118.2 | -176.4 | -131.6 | 96.8 | 0 | 0 | 0 | 110.6 | W1658 V1689 V1699 F1732 | W1658-L1703 HydrophobicContact CH2-CD1 3.83Å; W1658-L1703 HydrophobicContact CZ2-CD1 3.81Å; W1658-L1703 HydrophobicContact CZ3-CD1 4.5Å; V1689-L1703 HydrophobicContact CG2-CD1 4.06Å; V1699-L1703 HydrophobicContact CG1-CD1 3.64Å; V1699-L1703 PolarHBondContact O-N 3.29Å; V1699-L1703 VanDerWaalsContact O-N 3.15Å; L1703-F1732 HydrophobicContact CD2-CD1 3.36Å; L1703-F1732 HydrophobicContact CD2-CE1 3.32Å; L1703-F1732 HydrophobicContact CD2-CG 4.49Å; L1703-F1732 HydrophobicContact CD2-CZ 4.44Å; L1703-F1732 HydrophobicContact CG-CD1 4.4Å; L1703-F1732 HydrophobicContact CG-CE1 3.9Å |
| 1704 | P | 79.3 | Confident | 76 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.032 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 155.7 | 174.7 | 25.3 | -31.8 | 0 | 0 | 0 | 110.9 | L1654 L1655 W1658 L1702 Q1708 L1709 | L1654-P1704 HydrophobicContact CD2-CG 4.49Å; L1655-P1704 HydrophobicContact CD1-CB 4.23Å; W1658-P1704 HydrophobicContact CB-CG 3.94Å; W1658-P1704 HydrophobicContact CG-CG 3.85Å; L1702-P1704 WeakPolarHBondContact O-CD 3.42Å; P1704-Q1708 HydrophobicContact CB-CB 4.32Å; P1704-L1709 HydrophobicContact CB-CG 4.32Å; P1704-L1709 HydrophobicContact CG-CD1 4.15Å; P1704-L1709 HydrophobicContact CG-CD2 3.83Å; P1704-L1709 HydrophobicContact CG-CG 3.93Å |
| 1705 | S | 79.1 | Confident | 76.2 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 149.9 | 174.4 | 70.8 | 0 | 0 | 0 | 0 | 110.3 | E1707 Q1708 L1709 | S1705-E1707 PolarHBondContact O-N 3.07Å; S1705-Q1708 VanDerWaalsContact N-OE1 3.08Å; S1705-Q1708 WeakPolarHBondContact O-CB 3.36Å; S1705-Q1708 PolarHBondContact O-N 2.84Å; S1705-Q1708 VanDerWaalsContact OG-CG 3.3Å; S1705-Q1708 WeakPolarHBondContact OG-CG 3.23Å; S1705-Q1708 PolarHBondContact OG-N 2.81Å; S1705-L1709 PolarHBondContact O-N 3.16Å; S1705-L1709 VanDerWaalsContact O-N 3.17Å |
| 1706 | P | 75.8 | Confident | 76.4 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.7 | -37.4 | 174.4 | -25.3 | 33.8 | 0 | 0 | 0 | 112 | Q1708 L1709 F1710 E1729 F1732 | P1706-Q1708 PolarHBondContact O-N 2.92Å; P1706-L1709 PolarHBondContact O-N 2.84Å; P1706-F1710 HydrophobicContact CB-CD2 4.43Å; P1706-F1710 HydrophobicContact CB-CE2 3.89Å; P1706-F1710 HydrophobicContact CB-CZ 4.42Å; P1706-F1710 WeakPolarHBondContact O-CD2 3.29Å; P1706-F1710 WeakPolarHBondContact O-CG 3.04Å; P1706-F1710 PolarHBondContact O-N 3.01Å; P1706-E1729 HydrophobicContact CB-CG 4.49Å; P1706-F1732 HydrophobicContact CG-CB 4.33Å; P1706-F1732 HydrophobicContact CG-CD1 4.5Å; P1706-F1732 HydrophobicContact CG-CG 4.47Å |
| 1707 | E | 79.4 | Confident | 76.8 | Confident | 157 Ų | 157 | 54.9 Ų | 54.9 | 73% | 0.734 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.1 | -41 | 174.9 | -61.7 | 177.1 | 179 | 0 | 0 | 113 | S1705 A1711 | S1705-E1707 PolarHBondContact O-N 3.07Å; E1707-A1711 WeakPolarHBondContact O-CB 3.5Å; E1707-A1711 PolarHBondContact O-N 3Å; E1707-A1711 VanDerWaalsContact O-N 3.12Å |
| 1708 | Q | 80.7 | Confident | 77.2 | Confident | 109 Ų | 109 | 55.8 Ų | 55.8 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.7 | -76 | 169.5 | -17 | 0 | 0 | 112.1 | L1655 P1704 S1705 P1706 A1711 A1712 | L1655-Q1708 HydrophobicContact CD1-CB 4.33Å; P1704-Q1708 HydrophobicContact CB-CB 4.32Å; S1705-Q1708 VanDerWaalsContact N-OE1 3.08Å; S1705-Q1708 WeakPolarHBondContact O-CB 3.36Å; S1705-Q1708 PolarHBondContact O-N 2.84Å; S1705-Q1708 VanDerWaalsContact OG-CG 3.3Å; S1705-Q1708 WeakPolarHBondContact OG-CG 3.23Å; S1705-Q1708 PolarHBondContact OG-N 2.81Å; P1706-Q1708 PolarHBondContact O-N 2.92Å; Q1708-A1711 PolarHBondContact O-N 2.99Å; Q1708-A1712 PolarHBondContact O-N 3.08Å |
| 1709 | L | 80.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.9 | -70.2 | 166.1 | 0 | 0 | 0 | 111.7 | L1655 W1658 I1662 P1704 S1705 P1706 A1711 A1712 L1715 F1732 | L1655-L1709 HydrophobicContact CD1-CD2 4.06Å; W1658-L1709 HydrophobicContact CB-CD2 4.05Å; I1662-L1709 HydrophobicContact CD1-CD1 3.99Å; I1662-L1709 HydrophobicContact CD1-CD2 3.73Å; I1662-L1709 HydrophobicContact CD1-CG 4.35Å; P1704-L1709 HydrophobicContact CB-CG 4.32Å; P1704-L1709 HydrophobicContact CG-CD1 4.15Å; P1704-L1709 HydrophobicContact CG-CD2 3.83Å; P1704-L1709 HydrophobicContact CG-CG 3.93Å; S1705-L1709 PolarHBondContact O-N 3.16Å; S1705-L1709 VanDerWaalsContact O-N 3.17Å; P1706-L1709 PolarHBondContact O-N 2.84Å; L1709-A1711 PolarHBondContact O-N 2.82Å; L1709-A1712 WeakPolarHBondContact O-CB 3.37Å; L1709-A1712 PolarHBondContact O-N 3.27Å; L1709-L1715 HydrophobicContact CB-CD1 4.28Å; L1709-L1715 HydrophobicContact CD2-CD1 4.4Å; L1709-F1732 HydrophobicContact CD1-CE1 3.66Å; L1709-F1732 HydrophobicContact CD1-CE2 3.74Å; L1709-F1732 HydrophobicContact CD1-CZ 3.17Å |
| 1710 | F | 80.9 | Confident | 77.7 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.5 | -23.7 | 177.7 | -59.9 | -38.9 | 0 | 0 | 0 | 113.2 | P1706 V1719 F1724 H1725 I1728 E1729 | P1706-F1710 HydrophobicContact CB-CD2 4.43Å; P1706-F1710 HydrophobicContact CB-CE2 3.89Å; P1706-F1710 HydrophobicContact CB-CZ 4.42Å; P1706-F1710 WeakPolarHBondContact O-CD2 3.29Å; P1706-F1710 WeakPolarHBondContact O-CG 3.04Å; P1706-F1710 PolarHBondContact O-N 3.01Å; F1710-V1719 HydrophobicContact CB-CG1 4.49Å; F1710-V1719 HydrophobicContact CB-CG2 4.41Å; F1710-V1719 HydrophobicContact CD1-CG2 4.1Å; F1710-F1724 HydrophobicContact CE1-CE1 4.36Å; F1710-H1725 AromaticContact CD1-CE1 3.58Å; F1710-H1725 AromaticContact CD1-ND1 3.8Å; F1710-H1725 AromaticContact CD2-CE1 3.52Å; F1710-H1725 AromaticContact CD2-ND1 3.6Å; F1710-H1725 AromaticContact CE1-CE1 3.8Å; F1710-H1725 AromaticContact CE1-ND1 3.53Å; F1710-H1725 AromaticContact CE2-CE1 3.75Å; F1710-H1725 AromaticContact CE2-ND1 3.32Å; F1710-H1725 VanDerWaalsContact CE2-ND1 3.32Å; F1710-H1725 WeakPolarHBondContact CE2-ND1 3.44Å; F1710-H1725 AromaticContact CG-CE1 3.43Å; F1710-H1725 VanDerWaalsContact CG-CE1 3.43Å; F1710-H1725 WeakPolarHBondContact CG-CE1 3.21Å; F1710-H1725 AromaticContact CG-ND1 3.84Å; F1710-H1725 AromaticContact CZ-CE1 3.89Å; F1710-H1725 AromaticContact CZ-ND1 3.28Å; F1710-H1725 VanDerWaalsContact CZ-ND1 3.28Å; F1710-H1725 WeakPolarHBondContact CZ-ND1 3.16Å; F1710-I1728 HydrophobicContact CE1-CB 4.13Å; F1710-I1728 HydrophobicContact CE1-CG2 3.83Å; F1710-I1728 HydrophobicContact CZ-CB 4.13Å; F1710-I1728 HydrophobicContact CZ-CG2 3.81Å; F1710-E1729 HydrophobicContact CE2-CG 3.95Å; F1710-E1729 HydrophobicContact CZ-CG 4Å |
| 1711 | A | 80.3 | Confident | 77.9 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 63% | 0.628 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -12.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1707 Q1708 L1709 | E1707-A1711 WeakPolarHBondContact O-CB 3.5Å; E1707-A1711 PolarHBondContact O-N 3Å; E1707-A1711 VanDerWaalsContact O-N 3.12Å; Q1708-A1711 PolarHBondContact O-N 2.99Å; L1709-A1711 PolarHBondContact O-N 2.82Å |
| 1712 | A | 80.6 | Confident | 78.2 | Confident | 10 Ų | 10 | 61 Ų | 61 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | trans | -74.9 | 127.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1655 C1659 Q1708 L1709 E1714 L1715 | L1655-A1712 HydrophobicContact CD1-CB 4.49Å; L1655-A1712 HydrophobicContact CD2-CB 4.15Å; L1655-A1712 HydrophobicContact CG-CB 4.33Å; C1659-A1712 VanDerWaalsContact SG-CB 3.56Å; Q1708-A1712 PolarHBondContact O-N 3.08Å; L1709-A1712 WeakPolarHBondContact O-CB 3.37Å; L1709-A1712 PolarHBondContact O-N 3.27Å; A1712-E1714 PolarHBondContact O-N 3.34Å; A1712-E1714 VanDerWaalsContact O-N 3.07Å; A1712-L1715 PolarHBondContact O-N 2.96Å; A1712-L1715 VanDerWaalsContact O-N 3.11Å | ||
| 1713 | D | 79.2 | Confident | 78.2 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 81% | 0.813 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -56 | -29.3 | 179.8 | -71.3 | -29.9 | 0 | 0 | 0 | 112.8 | L1715 A1716 | D1713-L1715 PolarHBondContact O-N 2.72Å; D1713-A1716 VanDerWaalsContact O-CB 3.29Å; D1713-A1716 WeakPolarHBondContact O-CB 3.45Å; D1713-A1716 PolarHBondContact O-N 2.86Å |
| 1714 | E | 76.5 | Confident | 78.5 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -65.7 | -20.8 | -178 | -67.2 | 154.1 | 178.9 | 0 | 0 | 114 | Y1656 C1659 R1663 A1712 | Y1656-E1714 WeakPolarHBondContact CD2-OE1 3.28Å; C1659-E1714 HydrophobicContact CB-CB 4.01Å; C1659-E1714 WeakPolarHBondContact CB-OE2 3.35Å; R1663-E1714 PolarHBondContact NH1-O 3.49Å; A1712-E1714 PolarHBondContact O-N 3.34Å; A1712-E1714 VanDerWaalsContact O-N 3.07Å |
| 1715 | L | 79.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -110.2 | 3 | 179.3 | -67.7 | 172.9 | 0 | 0 | 0 | 112.9 | C1659 I1662 R1663 L1709 A1712 D1713 D1717 L1718 V1719 | C1659-L1715 HydrophobicContact CB-CD1 4.22Å; C1659-L1715 HydrophobicContact CB-CG 4.16Å; I1662-L1715 HydrophobicContact CB-CD2 4.25Å; I1662-L1715 HydrophobicContact CD1-CD1 3.81Å; I1662-L1715 HydrophobicContact CG2-CD2 3.91Å; R1663-L1715 HydrophobicContact CG-CD2 3.88Å; L1709-L1715 HydrophobicContact CB-CD1 4.28Å; L1709-L1715 HydrophobicContact CD2-CD1 4.4Å; A1712-L1715 PolarHBondContact O-N 2.96Å; A1712-L1715 VanDerWaalsContact O-N 3.11Å; D1713-L1715 PolarHBondContact O-N 2.72Å; L1715-D1717 PolarHBondContact O-N 2.8Å; L1715-L1718 HydrophobicContact CD2-CD1 4.07Å; L1715-L1718 PolarHBondContact O-N 2.84Å; L1715-V1719 HydrophobicContact CB-CG2 4.14Å; L1715-V1719 VanDerWaalsContact O-CG2 3.28Å; L1715-V1719 WeakPolarHBondContact O-CG2 3.21Å; L1715-V1719 PolarHBondContact O-N 2.88Å; L1715-V1719 VanDerWaalsContact O-N 3.09Å |
| 1716 | A | 77 | Confident | 78.4 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1713 | D1713-A1716 VanDerWaalsContact O-CB 3.29Å; D1713-A1716 WeakPolarHBondContact O-CB 3.45Å; D1713-A1716 PolarHBondContact O-N 2.86Å |
| 1717 | D | 77.9 | Confident | 78.5 | Confident | 137 Ų | 137 | 71 Ų | 71 | 73% | 0.733 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -35.9 | 177 | -66.1 | -28.2 | 0 | 0 | 0 | 113 | L1715 | L1715-D1717 PolarHBondContact O-N 2.8Š|
| 1718 | L | 77.3 | Confident | 78.6 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -33 | -178.3 | -66.9 | 171.2 | 0 | 0 | 0 | 112.4 | L1715 K1720 D1721 F1724 | L1715-L1718 HydrophobicContact CD2-CD1 4.07Å; L1715-L1718 PolarHBondContact O-N 2.84Å; L1718-K1720 PolarHBondContact O-N 2.92Å; L1718-D1721 PolarHBondContact O-N 3.41Å; L1718-F1724 HydrophobicContact CB-CD1 3.87Å; L1718-F1724 HydrophobicContact CB-CD2 4.27Å; L1718-F1724 HydrophobicContact CB-CE1 3.71Å; L1718-F1724 HydrophobicContact CB-CE2 4.13Å; L1718-F1724 HydrophobicContact CB-CG 4.14Å; L1718-F1724 HydrophobicContact CB-CZ 3.84Å; L1718-F1724 HydrophobicContact CD1-CE2 4.05Å; L1718-F1724 HydrophobicContact CD1-CZ 4.07Å; L1718-F1724 WeakPolarHBondContact O-CD1 3.31Å |
| 1719 | V | 75.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.2 | 179.2 | 172 | 0 | 0 | 0 | 0 | 112.4 | F1710 L1715 D1721 F1724 H1725 | F1710-V1719 HydrophobicContact CB-CG1 4.49Å; F1710-V1719 HydrophobicContact CB-CG2 4.41Å; F1710-V1719 HydrophobicContact CD1-CG2 4.1Å; L1715-V1719 HydrophobicContact CB-CG2 4.14Å; L1715-V1719 VanDerWaalsContact O-CG2 3.28Å; L1715-V1719 WeakPolarHBondContact O-CG2 3.21Å; L1715-V1719 PolarHBondContact O-N 2.88Å; L1715-V1719 VanDerWaalsContact O-N 3.09Å; V1719-D1721 PolarHBondContact O-N 2.79Å; V1719-F1724 HydrophobicContact CG2-CE1 4.48Å; V1719-H1725 WeakPolarHBondContact CG1-NE2 3.35Å; V1719-H1725 PolarHBondContact O-CD2 3.41Å; V1719-H1725 PolarHBondContact O-NE2 2.77Å |
| 1720 | K | 76.7 | Confident | 78.5 | Confident | 164 Ų | 164 | 64.5 Ų | 64.5 | 71% | 0.713 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.5 | 175.9 | -67 | 172.1 | -172 | 157.6 | 0 | 113.5 | L1718 P1722 | L1718-K1720 PolarHBondContact O-N 2.92Å; K1720-P1722 WeakPolarHBondContact O-CD 3.32Å |
| 1721 | D | 78.1 | Confident | 78.2 | Confident | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | trans | -90 | 114 | 178.7 | -171.5 | -11.3 | 0 | 0 | 0 | 111 | L1718 V1719 Q1723 F1724 H1725 | L1718-D1721 PolarHBondContact O-N 3.41Å; V1719-D1721 PolarHBondContact O-N 2.79Å; D1721-Q1723 PolarHBondContact O-N 3.16Å; D1721-Q1723 WeakPolarHBondContact OD1-CB 3.43Å; D1721-Q1723 PolarHBondContact OD1-N 2.67Å; D1721-F1724 HydrophobicContact CB-CB 3.96Å; D1721-F1724 WeakPolarHBondContact O-CB 3.24Å; D1721-F1724 PolarHBondContact O-N 2.78Å; D1721-F1724 VanDerWaalsContact O-N 3.17Å; D1721-H1725 PolarHBondContact O-N 3.25Å | ||
| 1722 | P | 77 | Confident | 78.1 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 67% | 0.669 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.7 | -24.9 | 177.7 | 25.7 | -33.3 | 0 | 0 | 0 | 113.2 | K1720 Y1726 | K1720-P1722 WeakPolarHBondContact O-CD 3.32Å; P1722-Y1726 PolarHBondContact O-N 3.24Å; P1722-Y1726 VanDerWaalsContact O-N 3.1Å |
| 1723 | Q | 75.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.1 | -38.6 | 175.6 | -172.8 | 167.6 | -15 | 0 | 0 | 111.1 | T1669 D1721 Y1726 L1727 | T1669-Q1723 VanDerWaalsContact CG2-OE1 3.26Å; D1721-Q1723 PolarHBondContact O-N 3.16Å; D1721-Q1723 WeakPolarHBondContact OD1-CB 3.43Å; D1721-Q1723 PolarHBondContact OD1-N 2.67Å; Q1723-Y1726 PolarHBondContact O-N 3.32Å; Q1723-L1727 HydrophobicContact CG-CD1 4.22Å; Q1723-L1727 WeakPolarHBondContact O-CB 3.45Å; Q1723-L1727 VanDerWaalsContact O-CG 3.29Å; Q1723-L1727 WeakPolarHBondContact O-CG 3.45Å; Q1723-L1727 PolarHBondContact O-N 2.95Å |
| 1724 | F | 81.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 172 | 174.5 | -102.9 | 0 | 0 | 0 | 111.5 | I1662 W1667 F1710 L1718 V1719 D1721 Y1726 L1727 I1728 | I1662-F1724 HydrophobicContact CG2-CE2 3.94Å; I1662-F1724 HydrophobicContact CG2-CZ 3.83Å; W1667-F1724 HydrophobicContact CB-CD2 3.79Å; W1667-F1724 HydrophobicContact CB-CE2 4.33Å; W1667-F1724 AromaticContact CD1-CE2 3.78Å; W1667-F1724 AromaticContact CD2-CD2 3.66Å; W1667-F1724 HydrophobicContact CD2-CD2 3.66Å; W1667-F1724 AromaticContact CD2-CE2 3.67Å; W1667-F1724 HydrophobicContact CD2-CE2 3.67Å; W1667-F1724 AromaticContact CE2-CE2 3.84Å; W1667-F1724 AromaticContact CE3-CD2 3.98Å; W1667-F1724 HydrophobicContact CE3-CD2 3.98Å; W1667-F1724 HydrophobicContact CE3-CE2 4.28Å; W1667-F1724 AromaticContact CG-CD2 3.56Å; W1667-F1724 HydrophobicContact CG-CD2 3.56Å; W1667-F1724 AromaticContact CG-CE2 3.66Å; W1667-F1724 HydrophobicContact CG-CE2 3.66Å; W1667-F1724 AromaticContact NE1-CE2 3.88Å; F1710-F1724 HydrophobicContact CE1-CE1 4.36Å; L1718-F1724 HydrophobicContact CB-CD1 3.87Å; L1718-F1724 HydrophobicContact CB-CD2 4.27Å; L1718-F1724 HydrophobicContact CB-CE1 3.71Å; L1718-F1724 HydrophobicContact CB-CE2 4.13Å; L1718-F1724 HydrophobicContact CB-CG 4.14Å; L1718-F1724 HydrophobicContact CB-CZ 3.84Å; L1718-F1724 HydrophobicContact CD1-CE2 4.05Å; L1718-F1724 HydrophobicContact CD1-CZ 4.07Å; L1718-F1724 WeakPolarHBondContact O-CD1 3.31Å; V1719-F1724 HydrophobicContact CG2-CE1 4.48Å; D1721-F1724 HydrophobicContact CB-CB 3.96Å; D1721-F1724 WeakPolarHBondContact O-CB 3.24Å; D1721-F1724 PolarHBondContact O-N 2.78Å; D1721-F1724 VanDerWaalsContact O-N 3.17Å; F1724-Y1726 PolarHBondContact O-N 2.82Å; F1724-L1727 PolarHBondContact O-N 2.62Å; F1724-I1728 HydrophobicContact CD1-CG1 4.35Å; F1724-I1728 HydrophobicContact CD2-CG1 3.97Å; F1724-I1728 HydrophobicContact CE1-CG1 4Å; F1724-I1728 HydrophobicContact CE2-CD1 3.85Å; F1724-I1728 HydrophobicContact CE2-CG1 3.58Å; F1724-I1728 HydrophobicContact CG-CG1 4.35Å; F1724-I1728 HydrophobicContact CZ-CD1 4.03Å; F1724-I1728 HydrophobicContact CZ-CG1 3.61Å; F1724-I1728 WeakPolarHBondContact O-CB 3.27Å; F1724-I1728 WeakPolarHBondContact O-CG1 3.24Å; F1724-I1728 PolarHBondContact O-N 3.13Å |
| 1725 | H | 78.9 | Confident | 77.8 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.6 | -51 | 173.4 | -93.9 | -81.6 | 0 | 0 | 0 | 112.2 | F1710 V1719 D1721 L1727 I1728 E1729 | F1710-H1725 AromaticContact CD1-CE1 3.58Å; F1710-H1725 AromaticContact CD1-ND1 3.8Å; F1710-H1725 AromaticContact CD2-CE1 3.52Å; F1710-H1725 AromaticContact CD2-ND1 3.6Å; F1710-H1725 AromaticContact CE1-CE1 3.8Å; F1710-H1725 AromaticContact CE1-ND1 3.53Å; F1710-H1725 AromaticContact CE2-CE1 3.75Å; F1710-H1725 AromaticContact CE2-ND1 3.32Å; F1710-H1725 VanDerWaalsContact CE2-ND1 3.32Å; F1710-H1725 WeakPolarHBondContact CE2-ND1 3.44Å; F1710-H1725 AromaticContact CG-CE1 3.43Å; F1710-H1725 VanDerWaalsContact CG-CE1 3.43Å; F1710-H1725 WeakPolarHBondContact CG-CE1 3.21Å; F1710-H1725 AromaticContact CG-ND1 3.84Å; F1710-H1725 AromaticContact CZ-CE1 3.89Å; F1710-H1725 AromaticContact CZ-ND1 3.28Å; F1710-H1725 VanDerWaalsContact CZ-ND1 3.28Å; F1710-H1725 WeakPolarHBondContact CZ-ND1 3.16Å; V1719-H1725 WeakPolarHBondContact CG1-NE2 3.35Å; V1719-H1725 PolarHBondContact O-CD2 3.41Å; V1719-H1725 PolarHBondContact O-NE2 2.77Å; D1721-H1725 PolarHBondContact O-N 3.25Å; H1725-L1727 PolarHBondContact O-N 3.16Å; H1725-I1728 PolarHBondContact O-N 2.76Å; H1725-E1729 WeakPolarHBondContact O-CB 3.45Å; H1725-E1729 WeakPolarHBondContact O-CG 3.25Å; H1725-E1729 PolarHBondContact O-N 3.46Å |
| 1726 | Y | 78.8 | Confident | 77.7 | Confident | 136 Ų | 136 | 62.7 Ų | 62.7 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | -179.8 | 177.1 | -109.7 | 0 | 0 | 0 | 112.6 | P1676 P1722 Q1723 F1724 S1730 | P1676-Y1726 HydrophobicContact CB-CE1 4.01Å; P1676-Y1726 HydrophobicContact CG-CE1 3.87Å; P1722-Y1726 PolarHBondContact O-N 3.24Å; P1722-Y1726 VanDerWaalsContact O-N 3.1Å; Q1723-Y1726 PolarHBondContact O-N 3.32Å; F1724-Y1726 PolarHBondContact O-N 2.82Å; Y1726-S1730 WeakPolarHBondContact CE2-OG 3.45Å; Y1726-S1730 WeakPolarHBondContact O-CB 3.3Å; Y1726-S1730 PolarHBondContact O-N 3.17Å; Y1726-S1730 PolarHBondContact O-OG 3.33Å |
| 1727 | L | 77.6 | Confident | 77.5 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 178.2 | -73.4 | 170.6 | 0 | 0 | 0 | 111.9 | W1667 P1676 I1679 C1680 Q1723 F1724 H1725 G1731 | W1667-L1727 HydrophobicContact CE3-CB 4.27Å; W1667-L1727 HydrophobicContact CE3-CD1 4.04Å; W1667-L1727 HydrophobicContact CZ3-CB 3.93Å; W1667-L1727 HydrophobicContact CZ3-CD1 4.33Å; P1676-L1727 HydrophobicContact CB-CD2 3.78Å; I1679-L1727 HydrophobicContact CB-CD2 4.48Å; I1679-L1727 HydrophobicContact CD1-CD2 4.05Å; C1680-L1727 PolarHBondContact SG-O 2.93Å; Q1723-L1727 HydrophobicContact CG-CD1 4.22Å; Q1723-L1727 WeakPolarHBondContact O-CB 3.45Å; Q1723-L1727 VanDerWaalsContact O-CG 3.29Å; Q1723-L1727 WeakPolarHBondContact O-CG 3.45Å; Q1723-L1727 PolarHBondContact O-N 2.95Å; F1724-L1727 PolarHBondContact O-N 2.62Å; H1725-L1727 PolarHBondContact O-N 3.16Å; L1727-G1731 WeakPolarHBondContact O-CA 3.48Å; L1727-G1731 PolarHBondContact O-N 3.32Å |
| 1728 | I | 80.5 | Confident | 77.2 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 178.4 | -68.6 | -65.8 | 0 | 0 | 0 | 110.8 | I1662 W1667 I1685 F1710 F1724 H1725 S1730 G1731 F1732 | I1662-I1728 HydrophobicContact CG2-CD1 4.1Å; W1667-I1728 HydrophobicContact CH2-CD1 3.63Å; W1667-I1728 HydrophobicContact CZ2-CD1 3.73Å; W1667-I1728 HydrophobicContact CZ3-CD1 4.16Å; I1685-I1728 HydrophobicContact CD1-CD1 4.45Å; F1710-I1728 HydrophobicContact CE1-CB 4.13Å; F1710-I1728 HydrophobicContact CE1-CG2 3.83Å; F1710-I1728 HydrophobicContact CZ-CB 4.13Å; F1710-I1728 HydrophobicContact CZ-CG2 3.81Å; F1724-I1728 HydrophobicContact CD1-CG1 4.35Å; F1724-I1728 HydrophobicContact CD2-CG1 3.97Å; F1724-I1728 HydrophobicContact CE1-CG1 4Å; F1724-I1728 HydrophobicContact CE2-CD1 3.85Å; F1724-I1728 HydrophobicContact CE2-CG1 3.58Å; F1724-I1728 HydrophobicContact CG-CG1 4.35Å; F1724-I1728 HydrophobicContact CZ-CD1 4.03Å; F1724-I1728 HydrophobicContact CZ-CG1 3.61Å; F1724-I1728 WeakPolarHBondContact O-CB 3.27Å; F1724-I1728 WeakPolarHBondContact O-CG1 3.24Å; F1724-I1728 PolarHBondContact O-N 3.13Å; H1725-I1728 PolarHBondContact O-N 2.76Å; I1728-S1730 PolarHBondContact O-N 2.93Å; I1728-G1731 PolarHBondContact O-N 3.39Å; I1728-F1732 HydrophobicContact CG2-CD2 3.7Å; I1728-F1732 HydrophobicContact CG2-CE2 3.89Å; I1728-F1732 WeakPolarHBondContact O-CB 2.86Å; I1728-F1732 VanDerWaalsContact O-CD2 3.27Å; I1728-F1732 WeakPolarHBondContact O-CD2 3.11Å; I1728-F1732 PolarHBondContact O-N 3Å |
| 1729 | E | 80.6 | Confident | 76.7 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 178.3 | -73.6 | -178.4 | 170 | 0 | 0 | 111.7 | P1706 F1710 H1725 G1731 F1732 E1733 | P1706-E1729 HydrophobicContact CB-CG 4.49Å; F1710-E1729 HydrophobicContact CE2-CG 3.95Å; F1710-E1729 HydrophobicContact CZ-CG 4Å; H1725-E1729 WeakPolarHBondContact O-CB 3.45Å; H1725-E1729 WeakPolarHBondContact O-CG 3.25Å; H1725-E1729 PolarHBondContact O-N 3.46Å; E1729-G1731 VanDerWaalsContact C-N 3.35Å; E1729-G1731 PolarHBondContact O-N 3.25Å; E1729-F1732 PolarHBondContact O-N 2.9Å; E1729-E1733 WeakPolarHBondContact O-CB 3.45Å; E1729-E1733 PolarHBondContact O-N 2.96Å |
| 1730 | S | 78.1 | Confident | 76.4 | Confident | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 112 | Y1726 I1728 H1734 | Y1726-S1730 WeakPolarHBondContact CE2-OG 3.45Å; Y1726-S1730 WeakPolarHBondContact O-CB 3.3Å; Y1726-S1730 PolarHBondContact O-N 3.17Å; Y1726-S1730 PolarHBondContact O-OG 3.33Å; I1728-S1730 PolarHBondContact O-N 2.93Å; S1730-H1734 WeakPolarHBondContact O-CB 3.05Å; S1730-H1734 PolarHBondContact O-N 3.24Å |
| 1731 | G | 75.9 | Confident | 75.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1680 L1727 I1728 E1729 H1734 M1735 | C1680-G1731 WeakPolarHBondContact SG-CA 3.14Å; L1727-G1731 WeakPolarHBondContact O-CA 3.48Å; L1727-G1731 PolarHBondContact O-N 3.32Å; I1728-G1731 PolarHBondContact O-N 3.39Å; E1729-G1731 VanDerWaalsContact C-N 3.35Å; E1729-G1731 PolarHBondContact O-N 3.25Å; G1731-H1734 PolarHBondContact O-N 3.22Å; G1731-M1735 WeakPolarHBondContact O-CB 3.37Å; G1731-M1735 WeakPolarHBondContact O-CG 3.1Å; G1731-M1735 PolarHBondContact O-N 3.49Å |
| 1732 | F | 78.6 | Confident | 74.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 174.8 | -90.8 | -104 | 0 | 0 | 0 | 112.2 | L1703 P1706 L1709 I1728 E1729 M1735 R1736 | L1703-F1732 HydrophobicContact CD2-CD1 3.36Å; L1703-F1732 HydrophobicContact CD2-CE1 3.32Å; L1703-F1732 HydrophobicContact CD2-CG 4.49Å; L1703-F1732 HydrophobicContact CD2-CZ 4.44Å; L1703-F1732 HydrophobicContact CG-CD1 4.4Å; L1703-F1732 HydrophobicContact CG-CE1 3.9Å; P1706-F1732 HydrophobicContact CG-CB 4.33Å; P1706-F1732 HydrophobicContact CG-CD1 4.5Å; P1706-F1732 HydrophobicContact CG-CG 4.47Å; L1709-F1732 HydrophobicContact CD1-CE1 3.66Å; L1709-F1732 HydrophobicContact CD1-CE2 3.74Å; L1709-F1732 HydrophobicContact CD1-CZ 3.17Å; I1728-F1732 HydrophobicContact CG2-CD2 3.7Å; I1728-F1732 HydrophobicContact CG2-CE2 3.89Å; I1728-F1732 WeakPolarHBondContact O-CB 2.86Å; I1728-F1732 VanDerWaalsContact O-CD2 3.27Å; I1728-F1732 WeakPolarHBondContact O-CD2 3.11Å; I1728-F1732 PolarHBondContact O-N 3Å; E1729-F1732 PolarHBondContact O-N 2.9Å; F1732-M1735 HydrophobicContact CD2-CE 3.73Å; F1732-M1735 HydrophobicContact CE2-CE 3.93Å; F1732-M1735 HydrophobicContact CG-CE 4.09Å; F1732-M1735 HydrophobicContact CZ-CE 4.41Å; F1732-M1735 PolarHBondContact O-N 2.98Å; F1732-R1736 WeakPolarHBondContact O-CB 3.35Å; F1732-R1736 PolarHBondContact O-N 3.39Å |
| 1733 | E | 78.7 | Confident | 73.5 | Confident | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.593 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64 | -43 | 172.8 | -166.7 | -179.6 | 178.8 | 0 | 0 | 111.3 | E1729 R1736 N1737 | E1729-E1733 WeakPolarHBondContact O-CB 3.45Å; E1729-E1733 PolarHBondContact O-N 2.96Å; E1733-R1736 PolarHBondContact O-N 3.37Å; E1733-N1737 WeakPolarHBondContact O-CB 3.33Å; E1733-N1737 VanDerWaalsContact O-CG 3.31Å; E1733-N1737 PolarHBondContact O-N 3.19Å; E1733-N1737 PolarHBondContact O-ND2 2.68Å |
| 1734 | H | 76.6 | Confident | 72.2 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 21% | 0.213 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175 | -173.9 | 72 | 0 | 0 | 0 | 112.2 | S1730 G1731 R1736 N1737 L1738 | S1730-H1734 WeakPolarHBondContact O-CB 3.05Å; S1730-H1734 PolarHBondContact O-N 3.24Å; G1731-H1734 PolarHBondContact O-N 3.22Å; H1734-R1736 PolarHBondContact O-N 3.39Å; H1734-N1737 PolarHBondContact O-N 2.85Å; H1734-L1738 WeakPolarHBondContact NE2-CD1 3.48Å; H1734-L1738 WeakPolarHBondContact O-CB 3.49Å; H1734-L1738 PolarHBondContact O-N 3.36Å |
| 1735 | M | 74.5 | Confident | 70.6 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 177.2 | -75.3 | -173.1 | -82.8 | 0 | 0 | 111.7 | I1685 C1686 V1689 G1731 F1732 N1737 L1738 L1739 | I1685-M1735 HydrophobicContact CG2-CE 3.77Å; I1685-M1735 HydrophobicContact CG2-SD 3.76Å; C1686-M1735 WeakPolarHBondContact SG-CG 3.45Å; V1689-M1735 HydrophobicContact CB-SD 4.2Å; V1689-M1735 HydrophobicContact CG1-SD 4.48Å; V1689-M1735 HydrophobicContact CG2-SD 3.72Å; G1731-M1735 WeakPolarHBondContact O-CB 3.37Å; G1731-M1735 WeakPolarHBondContact O-CG 3.1Å; G1731-M1735 PolarHBondContact O-N 3.49Å; F1732-M1735 HydrophobicContact CD2-CE 3.73Å; F1732-M1735 HydrophobicContact CE2-CE 3.93Å; F1732-M1735 HydrophobicContact CG-CE 4.09Å; F1732-M1735 HydrophobicContact CZ-CE 4.41Å; F1732-M1735 PolarHBondContact O-N 2.98Å; M1735-N1737 VanDerWaalsContact C-N 3.34Å; M1735-N1737 PolarHBondContact O-N 2.98Å; M1735-L1738 PolarHBondContact O-N 3.26Å; M1735-L1739 VanDerWaalsContact O-CG 3.31Å; M1735-L1739 WeakPolarHBondContact O-CG 3.39Å; M1735-L1739 PolarHBondContact O-N 3.25Å |
| 1736 | R | 75.6 | Confident | 68.9 | Low | 116 Ų | 116 | 67.3 Ų | 67.3 | 44% | 0.438 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.6 | -86 | -175.8 | 174.2 | 157.8 | 0.1 | 112.3 | F1732 E1733 H1734 L1739 T1740 | F1732-R1736 WeakPolarHBondContact O-CB 3.35Å; F1732-R1736 PolarHBondContact O-N 3.39Å; E1733-R1736 PolarHBondContact O-N 3.37Å; H1734-R1736 PolarHBondContact O-N 3.39Å; R1736-L1739 PolarHBondContact O-N 3.27Å; R1736-T1740 WeakPolarHBondContact O-CB 3.41Å; R1736-T1740 WeakPolarHBondContact O-CG2 3.27Å; R1736-T1740 PolarHBondContact O-N 3.43Å; R1736-T1740 PolarHBondContact O-OG1 3.28Å |
| 1737 | N | 74.5 | Confident | 66.9 | Low | 76 Ų | 76 | 67.8 Ų | 67.8 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 176.6 | -77.8 | -30.9 | 0 | 0 | 0 | 112.7 | E1733 H1734 M1735 T1740 K1741 | E1733-N1737 WeakPolarHBondContact O-CB 3.33Å; E1733-N1737 VanDerWaalsContact O-CG 3.31Å; E1733-N1737 PolarHBondContact O-N 3.19Å; E1733-N1737 PolarHBondContact O-ND2 2.68Å; H1734-N1737 PolarHBondContact O-N 2.85Å; M1735-N1737 VanDerWaalsContact C-N 3.34Å; M1735-N1737 PolarHBondContact O-N 2.98Å; N1737-T1740 WeakPolarHBondContact CA-OG1 3.48Å; N1737-T1740 PolarHBondContact O-OG1 3.32Å; N1737-T1740 VanDerWaalsContact O-OG1 3.14Å; N1737-K1741 WeakPolarHBondContact O-CB 3.24Å; N1737-K1741 WeakPolarHBondContact O-CG 3.43Å; N1737-K1741 PolarHBondContact O-N 3.42Å |
| 1738 | L | 71.1 | Confident | 64.9 | Low | 63 Ų | 63 | 76 Ų | 76 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 175.1 | -118.5 | 163.9 | 0 | 0 | 0 | 111.2 | H1734 M1735 Q1742 | H1734-L1738 WeakPolarHBondContact NE2-CD1 3.48Å; H1734-L1738 WeakPolarHBondContact O-CB 3.49Å; H1734-L1738 PolarHBondContact O-N 3.36Å; M1735-L1738 PolarHBondContact O-N 3.26Å; L1738-Q1742 PolarHBondContact O-N 2.99Å; L1738-Q1742 VanDerWaalsContact O-N 3.1Å |
| 1739 | L | 67.3 | Low | 62.6 | Low | 5 Ų | 5 | 82.7 Ų | 82.7 | 3% | 0.026 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 179.4 | -69 | 166.3 | 0 | 0 | 0 | 112.1 | V1689 Y1693 V1699 I1700 M1735 R1736 Q1742 N1743 | V1689-L1739 HydrophobicContact CG1-CD1 3.97Å; V1689-L1739 HydrophobicContact CG1-CD2 4.15Å; V1689-L1739 HydrophobicContact CG1-CG 4.24Å; Y1693-L1739 HydrophobicContact CD2-CD2 3.4Å; Y1693-L1739 HydrophobicContact CE2-CD2 4.1Å; Y1693-L1739 HydrophobicContact CG-CD2 3.72Å; V1699-L1739 HydrophobicContact CB-CD1 4.19Å; V1699-L1739 HydrophobicContact CB-CD2 4.25Å; V1699-L1739 HydrophobicContact CG1-CD1 4.28Å; V1699-L1739 HydrophobicContact CG2-CD2 4.47Å; I1700-L1739 HydrophobicContact CD1-CB 4.22Å; I1700-L1739 HydrophobicContact CG1-CB 4.13Å; I1700-L1739 HydrophobicContact CG1-CD1 4.13Å; M1735-L1739 VanDerWaalsContact O-CG 3.31Å; M1735-L1739 WeakPolarHBondContact O-CG 3.39Å; M1735-L1739 PolarHBondContact O-N 3.25Å; R1736-L1739 PolarHBondContact O-N 3.27Å; L1739-Q1742 PolarHBondContact O-N 3.41Å; L1739-N1743 PolarHBondContact O-N 3.45Å; L1739-N1743 VanDerWaalsContact O-N 3.09Å |
| 1740 | T | 69.3 | Low | 60.1 | Low | 69 Ų | 69 | 83.3 Ų | 83.3 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 177.6 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | R1736 N1737 N1743 C1744 | R1736-T1740 WeakPolarHBondContact O-CB 3.41Å; R1736-T1740 WeakPolarHBondContact O-CG2 3.27Å; R1736-T1740 PolarHBondContact O-N 3.43Å; R1736-T1740 PolarHBondContact O-OG1 3.28Å; N1737-T1740 WeakPolarHBondContact CA-OG1 3.48Å; N1737-T1740 PolarHBondContact O-OG1 3.32Å; N1737-T1740 VanDerWaalsContact O-OG1 3.14Å; T1740-N1743 PolarHBondContact O-N 3.35Å; T1740-C1744 PolarHBondContact O-N 2.78Å |
| 1741 | K | 63.8 | Low | 57.8 | Low | 152 Ų | 152 | 87.7 Ų | 87.7 | 66% | 0.661 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 175.1 | -80.4 | 179.1 | 179.4 | 175.9 | 0 | 112.9 | N1737 C1744 | N1737-K1741 WeakPolarHBondContact O-CB 3.24Å; N1737-K1741 WeakPolarHBondContact O-CG 3.43Å; N1737-K1741 PolarHBondContact O-N 3.42Å; K1741-C1744 PolarHBondContact O-N 2.73Å |
| 1742 | Q | 55 | Low | 55.4 | Low | 83 Ų | 83 | 95.2 Ų | 95.2 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -35.7 | 178 | -74 | -176.8 | -14.7 | 0 | 0 | 112.1 | Y1693 L1738 L1739 C1744 N1745 | Y1693-Q1742 HydrophobicContact CE1-CB 3.63Å; Y1693-Q1742 HydrophobicContact CE1-CG 4.35Å; Y1693-Q1742 VanDerWaalsContact OH-C 3.29Å; Y1693-Q1742 VanDerWaalsContact OH-CB 3.32Å; Y1693-Q1742 WeakPolarHBondContact OH-CB 3.49Å; L1738-Q1742 PolarHBondContact O-N 2.99Å; L1738-Q1742 VanDerWaalsContact O-N 3.1Å; L1739-Q1742 PolarHBondContact O-N 3.41Å; Q1742-C1744 VanDerWaalsContact C-N 3.27Å; Q1742-C1744 PolarHBondContact O-N 3.03Å; Q1742-N1745 PolarHBondContact O-N 3.48Å; Q1742-N1745 VanDerWaalsContact O-N 3.14Å |
| 1743 | N | 52.2 | Low | 52.9 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -27.8 | 172.7 | -82.7 | 0.4 | 0 | 0 | 0 | 113.8 | Y1693 L1739 T1740 N1745 T1746 | Y1693-N1743 WeakPolarHBondContact CE2-OD1 3.32Å; Y1693-N1743 PolarHBondContact OH-N 3.22Å; Y1693-N1743 PolarHBondContact OH-OD1 3.09Å; L1739-N1743 PolarHBondContact O-N 3.45Å; L1739-N1743 VanDerWaalsContact O-N 3.09Å; T1740-N1743 PolarHBondContact O-N 3.35Å; N1743-N1745 VanDerWaalsContact C-N 3.34Å; N1743-T1746 PolarHBondContact O-OG1 3.15Å |
| 1744 | C | 48.5 | Very low | 50.4 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.6 | -25.2 | 174.9 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | T1740 K1741 Q1742 | T1740-C1744 PolarHBondContact O-N 2.78Å; K1741-C1744 PolarHBondContact O-N 2.73Å; Q1742-C1744 VanDerWaalsContact C-N 3.27Å; Q1742-C1744 PolarHBondContact O-N 3.03Å |
| 1745 | N | 47.7 | Very low | 48.1 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -85.9 | -17 | -177.8 | -72.9 | -8.1 | 0 | 0 | 0 | 113.5 | Q1742 N1743 | Q1742-N1745 PolarHBondContact O-N 3.48Å; Q1742-N1745 VanDerWaalsContact O-N 3.14Å; N1743-N1745 VanDerWaalsContact C-N 3.34Å |
| 1746 | T | 41.4 | Very low | 45.6 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 56% | 0.564 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -86.3 | -8.1 | 179.6 | 45.2 | 0 | 0 | 0 | 0 | 114 | N1743 | N1743-T1746 PolarHBondContact O-OG1 3.15Š|
| 1747 | L | 37.2 | Very low | 43.5 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -85.6 | -13.1 | -178.7 | -137.2 | 85 | 0 | 0 | 0 | 114.3 | ||
| 1748 | E | 36.4 | Very low | 42 | Very low | 182 Ų | 182 | 117.6 Ų | 117.6 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -93.4 | -10.6 | -177.8 | -79.5 | -169.2 | 157.6 | 0 | 0 | 115.3 | ||
| 1749 | D | 31.7 | Very low | 40.4 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | trans | -103.9 | 19.5 | -177.8 | -87.7 | -18.3 | 0 | 0 | 0 | 115 | V1751 | D1749-V1751 PolarHBondContact O-N 3.3Š| ||
| 1750 | V | 28.9 | Very low | 38.9 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | trans | -79.4 | 73.7 | 169 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | M1752 | V1750-M1752 PolarHBondContact O-N 3.24Š| ||
| 1751 | V | 29.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | -67.2 | 108.8 | 160.5 | 174.6 | 0 | 0 | 0 | 0 | 107.1 | D1749 T1753 | D1749-V1751 PolarHBondContact O-N 3.3Å; V1751-T1753 PolarHBondContact O-N 2.72Å | ||
| 1752 | M | 25.4 | Very low | 35.5 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -49.1 | 98.2 | 172.1 | -70.9 | -97.8 | -76.1 | 0 | 0 | 111.2 | V1750 | V1750-M1752 PolarHBondContact O-N 3.24Š| ||
| 1753 | T | 25.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -107.3 | 101.3 | 157.3 | 49.2 | 0 | 0 | 0 | 0 | 107.9 | V1751 I1755 | V1751-T1753 PolarHBondContact O-N 2.72Å; T1753-I1755 PolarHBondContact O-N 3.17Å; T1753-I1755 VanDerWaalsContact O-N 3.1Å | ||
| 1754 | D | 27 | Very low | 32.9 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -48.7 | 110.2 | 164.8 | -71.9 | -42.2 | 0 | 0 | 0 | 109.7 | ||||
| 1755 | I | 27 | Very low | 31.7 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -128.1 | 108.3 | 157.3 | -62.5 | -179.5 | 0 | 0 | 0 | 106 | T1753 V1757 | T1753-I1755 PolarHBondContact O-N 3.17Å; T1753-I1755 VanDerWaalsContact O-N 3.1Å; I1755-V1757 PolarHBondContact O-N 3.19Å | ||
| 1756 | C | 23.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -55.4 | 122 | 174.2 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1757 | V | 30.9 | Very low | 29.3 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 100% | 1.176 | 80% | 0.804 | S | S | * | * | -112.3 | 0 | 127 | 176.7 | 0 | 0 | 0 | 0 | 105.3 | I1755 | I1755-V1757 PolarHBondContact O-N 3.19Š|
Retrieved 1,757 of 1,757 residues in 2208.7 ms
(Link to these results)