| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 25.5 | Very low | 45.7 | Very low | 236 Ų | 236 | 123.1 Ų | 123.1 | 100% | 1.163 | 64% | 0.636 | S | S | * | * | 0 | 98.6 | 0 | -72.4 | -176.1 | 176 | 0 | 0 | 108.9 | T3 | M1-T3 PolarHBondContact O-N 2.9Š| |||
| 2 | T | 26.7 | Very low | 48.7 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | trans | -62.8 | 114.2 | 160.8 | 40.3 | 0 | 0 | 0 | 0 | 106.7 | S4 | T2-S4 VanDerWaalsContact C-N 3.28Å; T2-S4 PolarHBondContact O-N 3.42Å | ||
| 3 | T | 26.3 | Very low | 51.5 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 83% | 0.834 | 57% | 0.567 | S | S | * | * | trans | -60.6 | 90.9 | 174.2 | 48.4 | 0 | 0 | 0 | 0 | 108.6 | M1 K5 | M1-T3 PolarHBondContact O-N 2.9Å; T3-K5 PolarHBondContact O-N 3.42Å | ||
| 4 | S | 27.9 | Very low | 54 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | trans | -64.3 | 109.3 | 171.8 | 54.4 | 0 | 0 | 0 | 0 | 106.9 | T2 K6 | T2-S4 VanDerWaalsContact C-N 3.28Å; T2-S4 PolarHBondContact O-N 3.42Å; S4-K6 PolarHBondContact O-N 3.42Å | ||
| 5 | K | 31.9 | Very low | 55.9 | Low | 185 Ų | 185 | 96.9 Ų | 96.9 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | trans | -42.5 | 117.2 | 163.9 | -74.9 | 176.6 | 174.2 | 176.3 | 0 | 107.1 | T3 M7 | T3-K5 PolarHBondContact O-N 3.42Å; K5-M7 VanDerWaalsContact C-N 3.32Å; K5-M7 PolarHBondContact O-N 3.18Å | ||
| 6 | K | 39 | Very low | 56.9 | Low | 152 Ų | 152 | 91 Ų | 91 | 66% | 0.661 | 47% | 0.467 | S | S | * | . | trans | -55.8 | 100.3 | 171.5 | -80.8 | -175.3 | 175.5 | -178.9 | 0 | 106.8 | S4 K8 | S4-K6 PolarHBondContact O-N 3.42Å; K6-K8 PolarHBondContact O-N 3.31Å | ||
| 7 | M | 46.5 | Very low | 57 | Low | 86 Ų | 86 | 86.1 Ų | 86.1 | 42% | 0.424 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 123.5 | -177.7 | -73.3 | -170.8 | -172.9 | 0 | 0 | 107.6 | K5 Y749 R788 | K5-M7 VanDerWaalsContact C-N 3.32Å; K5-M7 PolarHBondContact O-N 3.18Å; M7-Y749 HydrophobicContact CB-CE1 3.6Å; M7-Y749 WeakPolarHBondContact O-CE1 3.41Å; M7-Y749 PolarHBondContact SD-OH 3.25Å; M7-R788 HydrophobicContact SD-CB 4.42Å |
| 8 | K | 57.3 | Low | 57.1 | Low | 178 Ų | 178 | 86.3 Ų | 86.3 | 77% | 0.774 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 128.2 | 177.7 | -79.7 | -176 | 174.7 | -178.3 | 0 | 110 | K6 | K6-K8 PolarHBondContact O-N 3.31Š|
| 9 | M | 68.5 | Low | 57.2 | Low | 20 Ų | 20 | 91.4 Ų | 91.4 | 10% | 0.099 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 141.4 | 162.3 | -78 | 179.9 | -72.3 | 0 | 0 | 109.4 | Y749 I751 V785 I787 | M9-Y749 HydrophobicContact CE-CD1 4.01Å; M9-Y749 HydrophobicContact CE-CG 4.13Å; M9-Y749 HydrophobicContact CG-CD1 4.02Å; M9-Y749 HydrophobicContact CG-CE1 4.42Å; M9-Y749 HydrophobicContact SD-CD1 4.24Å; M9-Y749 HydrophobicContact SD-CG 4.32Å; M9-I751 HydrophobicContact CB-CD1 4.04Å; M9-I751 HydrophobicContact CE-CB 3.59Å; M9-I751 HydrophobicContact CE-CG2 3.31Å; M9-I751 HydrophobicContact SD-CG2 4.08Å; M9-V785 HydrophobicContact CB-CG1 3.6Å; M9-V785 HydrophobicContact CG-CG1 4.15Å; M9-V785 HydrophobicContact SD-CG1 4.21Å; M9-I787 HydrophobicContact CG-CG1 3.9Å; M9-I787 HydrophobicContact SD-CD1 4.37Å; M9-I787 HydrophobicContact SD-CG1 3.91Å |
| 10 | T | 73.5 | Confident | 57.6 | Low | 79 Ų | 79 | 87.3 Ų | 87.3 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.7 | -176.9 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | E12 K786 | T10-E12 PolarHBondContact O-N 3.17Å; T10-K786 PolarHBondContact N-O 3.13Å; T10-K786 PolarHBondContact O-N 2.97Å |
| 11 | F | 80 | Confident | 58.7 | Low | 39 Ų | 39 | 86.4 Ų | 86.4 | 17% | 0.171 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 129.3 | 173.9 | -68.8 | -87.6 | 0 | 0 | 0 | 110.9 | V14 T50 H52 I751 I753 A783 V785 | F11-V14 HydrophobicContact CB-CG2 4.34Å; F11-V14 HydrophobicContact CD1-CG2 3.58Å; F11-V14 HydrophobicContact CE1-CG2 4.23Å; F11-V14 HydrophobicContact CG-CG2 4.21Å; F11-T50 HydrophobicContact CB-CG2 4.48Å; F11-H52 HydrophobicContact CD2-CB 3.9Å; F11-H52 HydrophobicContact CE2-CB 3.6Å; F11-H52 AromaticContact CE2-CD2 3.93Å; F11-H52 AromaticContact CE2-CG 3.41Å; F11-H52 VanDerWaalsContact CE2-CG 3.41Å; F11-H52 AromaticContact CE2-ND1 3.55Å; F11-H52 HydrophobicContact CZ-CB 4.48Å; F11-H52 AromaticContact CZ-CE1 3.89Å; F11-H52 AromaticContact CZ-CG 3.94Å; F11-H52 AromaticContact CZ-ND1 3.58Å; F11-I751 HydrophobicContact CE2-CD1 3.95Å; F11-I751 HydrophobicContact CZ-CD1 4.17Å; F11-I753 HydrophobicContact CE1-CB 4.37Å; F11-I753 HydrophobicContact CE1-CG1 4.09Å; F11-I753 HydrophobicContact CE1-CG2 3.75Å; F11-I753 HydrophobicContact CZ-CB 4.38Å; F11-I753 HydrophobicContact CZ-CG1 3.95Å; F11-I753 HydrophobicContact CZ-CG2 4.21Å; F11-A783 HydrophobicContact CD1-CB 4.33Å; F11-A783 HydrophobicContact CE1-CB 4.18Å; F11-V785 HydrophobicContact CD1-CG2 3.73Å; F11-V785 HydrophobicContact CE1-CG2 3.65Å; F11-V785 HydrophobicContact CG-CG2 4.48Å; F11-V785 HydrophobicContact CZ-CG2 4.35Å |
| 12 | E | 81.5 | Confident | 61.7 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 33% | 0.327 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -47.3 | 170.5 | -65.1 | -164.6 | 155 | 0 | 0 | 110.7 | T10 R784 K786 | T10-E12 PolarHBondContact O-N 3.17Å; E12-R784 HydrophobicContact CB-CB 4.48Å; E12-R784 HydrophobicContact CB-CG 4.36Å; E12-R784 PolarHBondContact N-O 3.44Å; E12-R784 WeakPolarHBondContact OE2-CD 3.49Å; E12-R784 IonicContact OE2-CZ 3.69Å; E12-R784 IonicContact OE2-NE 2.87Å; E12-R784 PolarHBondContact OE2-NE 3.27Å; E12-R784 IonicContact OE2-NH1 2.76Å; E12-R784 PolarHBondContact OE2-NH1 3.48Å; E12-R784 IonicContact OE2-NH2 3.45Å; E12-R784 PolarHBondContact OE2-NH2 3.03Å; E12-K786 HydrophobicContact CG-CB 3.73Å; E12-K786 WeakPolarHBondContact OE1-CD 3.23Å |
| 13 | W | 85.4 | Confident | 64.7 | Low | 13 Ų | 13 | 69.3 Ų | 69.3 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 158.3 | 173.7 | 56 | -103.6 | 0 | 0 | 0 | 110.3 | Q15 C480 K481 L782 R784 | W13-Q15 HydrophobicContact CE3-CB 4.34Å; W13-Q15 HydrophobicContact CZ3-CB 4.27Å; W13-C480 PolarHBondContact NE1-O 3.02Å; W13-K481 PolarHBondContact NE1-O 3.19Å; W13-L782 HydrophobicContact CH2-CD2 3.72Å; W13-L782 HydrophobicContact CH2-CG 3.81Å; W13-L782 HydrophobicContact CZ3-CB 4.36Å; W13-L782 HydrophobicContact CZ3-CD2 3.89Å; W13-L782 HydrophobicContact CZ3-CG 3.79Å; W13-R784 HydrophobicContact CD2-CB 3.88Å; W13-R784 VanDerWaalsContact CE2-CB 3.43Å; W13-R784 HydrophobicContact CE3-CB 4.48Å; W13-R784 HydrophobicContact CG-CB 4.29Å; W13-R784 HydrophobicContact CH2-CB 4.28Å; W13-R784 HydrophobicContact CZ2-CB 3.66Å; W13-R784 HydrophobicContact CZ2-CG 4.49Å; W13-R784 PolarHBondContact O-N 3.15Å |
| 14 | V | 86.2 | Confident | 67.7 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 136.2 | 178.1 | 180 | 0 | 0 | 0 | 0 | 108.7 | F11 C34 T50 L781 A783 | F11-V14 HydrophobicContact CB-CG2 4.34Å; F11-V14 HydrophobicContact CD1-CG2 3.58Å; F11-V14 HydrophobicContact CE1-CG2 4.23Å; F11-V14 HydrophobicContact CG-CG2 4.21Å; V14-C34 HydrophobicContact CG1-CB 3.83Å; V14-T50 HydrophobicContact CB-CG2 4.31Å; V14-T50 HydrophobicContact CG2-CG2 3.87Å; V14-L781 HydrophobicContact CG1-CD1 3.47Å; V14-L781 VanDerWaalsContact CG1-CD1 3.47Å; V14-L781 HydrophobicContact CG1-CD2 4.09Å; V14-L781 HydrophobicContact CG1-CG 3.85Å; V14-A783 HydrophobicContact CG1-CB 4.42Å; V14-A783 HydrophobicContact CG2-CB 4.04Å |
| 15 | Q | 82.2 | Confident | 70.5 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 125.3 | -176.2 | -152.2 | 62 | -5.2 | 0 | 0 | 111.1 | W13 F446 T447 W478 L781 L782 | W13-Q15 HydrophobicContact CE3-CB 4.34Å; W13-Q15 HydrophobicContact CZ3-CB 4.27Å; Q15-F446 PolarHBondContact NE2-O 2.93Å; Q15-F446 VanDerWaalsContact NE2-O 3.13Å; Q15-T447 HydrophobicContact CG-CG2 4.37Å; Q15-W478 HydrophobicContact CG-CZ3 4.04Å; Q15-L781 CarbonylContact O-C 3.58Å; Q15-L782 PolarHBondContact N-O 3.37Å; Q15-L782 PolarHBondContact O-N 3.18Å |
| 16 | G | 71.3 | Confident | 73 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | 153 | 130.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C34 G780 | G16-C34 WeakPolarHBondContact O-CA 3.4Å; G16-C34 WeakPolarHBondContact O-CB 3.48Å; G16-G780 WeakPolarHBondContact CA-O 3.36Å | ||
| 17 | L | 60.2 | Low | 75 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -133.2 | 95.5 | -174.2 | -72.6 | 167.7 | 0 | 0 | 0 | 110.4 | Y20 I32 K33 T447 | L17-Y20 HydrophobicContact CB-CD1 3.75Å; L17-Y20 HydrophobicContact CB-CE1 3.56Å; L17-Y20 HydrophobicContact CB-CG 4.35Å; L17-Y20 HydrophobicContact CD1-CD1 3.59Å; L17-Y20 HydrophobicContact CD1-CE1 3.47Å; L17-Y20 VanDerWaalsContact CD1-CE1 3.47Å; L17-Y20 HydrophobicContact CD2-CD1 4.44Å; L17-Y20 HydrophobicContact CG-CD1 4.1Å; L17-Y20 HydrophobicContact CG-CE1 4.07Å; L17-I32 HydrophobicContact CD1-CG2 4.1Å; L17-I32 HydrophobicContact CD2-CG2 3.3Å; L17-I32 HydrophobicContact CG-CG2 4.23Å; L17-K33 WeakPolarHBondContact CD2-O 3.31Å; L17-T447 HydrophobicContact CB-CG2 4.46Å; L17-T447 HydrophobicContact CD1-CG2 3.36Å; L17-T447 WeakPolarHBondContact CD1-OG1 3.2Å; L17-T447 HydrophobicContact CG-CG2 3.84Å | ||
| 18 | K | 58 | Low | 76.9 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -101.4 | 117.7 | 168.8 | -165 | 173.1 | -176.2 | 179 | 0 | 108.6 | G778 D779 | K18-G778 PolarHBondContact NZ-O 2.83Å; K18-D779 WeakPolarHBondContact CB-O 3.46Å; K18-D779 WeakPolarHBondContact CD-O 3.46Å |
| 19 | K | 59.7 | Low | 78.5 | Confident | 183 Ų | 183 | 37.4 Ų | 37.4 | 80% | 0.796 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 57.8 | 83.7 | -169.1 | -57 | -178.2 | 176.6 | -173.7 | 0 | 110.9 | Q21 | K19-Q21 PolarHBondContact O-N 3.28Š|
| 20 | Y | 64 | Low | 79.4 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -49.8 | 87.7 | -174.9 | -66.8 | -97.8 | 0 | 0 | 0 | 114 | L17 T406 S407 S420 C421 G424 | L17-Y20 HydrophobicContact CB-CD1 3.75Å; L17-Y20 HydrophobicContact CB-CE1 3.56Å; L17-Y20 HydrophobicContact CB-CG 4.35Å; L17-Y20 HydrophobicContact CD1-CD1 3.59Å; L17-Y20 HydrophobicContact CD1-CE1 3.47Å; L17-Y20 VanDerWaalsContact CD1-CE1 3.47Å; L17-Y20 HydrophobicContact CD2-CD1 4.44Å; L17-Y20 HydrophobicContact CG-CD1 4.1Å; L17-Y20 HydrophobicContact CG-CE1 4.07Å; Y20-T406 HydrophobicContact CD2-CG2 4.05Å; Y20-T406 WeakPolarHBondContact CD2-OG1 3.2Å; Y20-T406 HydrophobicContact CE2-CG2 4.42Å; Y20-S407 WeakPolarHBondContact O-CB 3.39Å; Y20-S407 PolarHBondContact O-OG 3.29Å; Y20-S420 VanDerWaalsContact CB-OG 3.25Å; Y20-S420 WeakPolarHBondContact CB-OG 3.36Å; Y20-S420 VanDerWaalsContact CG-CB 3.42Å; Y20-C421 WeakPolarHBondContact CE2-O 3.31Å; Y20-C421 PolarHBondContact OH-O 2.87Å; Y20-C421 VanDerWaalsContact OH-O 3.06Å; Y20-G424 WeakPolarHBondContact OH-CA 3.44Å; Y20-G424 PolarHBondContact OH-N 3.09Å; Y20-G424 PolarHBondContact OH-O 3.29Å | ||
| 21 | Q | 81.3 | Confident | 80.2 | Confident | 70 Ų | 70 | 32.8 Ų | 32.8 | 33% | 0.327 | 16% | 0.156 | S | C | . | . | trans | -96.3 | 113.3 | 166.9 | -69.4 | -177.3 | -16.1 | 0 | 0 | 108.1 | K19 K33 L61 | K19-Q21 PolarHBondContact O-N 3.28Å; Q21-K33 HydrophobicContact CB-CB 4.09Å; Q21-K33 HydrophobicContact CB-CD 4.31Å; Q21-K33 VanDerWaalsContact O-CB 3.31Å; Q21-K33 WeakPolarHBondContact O-CB 3.41Å; Q21-K33 PolarHBondContact O-N 2.86Å; Q21-L61 HydrophobicContact CB-CB 4.13Å | ||
| 22 | F | 88.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 165 | 175 | 61.4 | -91.6 | 0 | 0 | 0 | 109.5 | L30 C31 I32 S407 A418 S420 L426 | F22-L30 HydrophobicContact CD2-CD1 4.06Å; F22-C31 CarbonylContact C-O 3.55Å; F22-C31 WeakPolarHBondContact CA-O 3.26Å; F22-C31 VanDerWaalsContact CB-O 3.29Å; F22-C31 WeakPolarHBondContact CB-O 3.42Å; F22-I32 HydrophobicContact CB-CB 4.49Å; F22-I32 HydrophobicContact CB-CG1 4.18Å; F22-S407 WeakPolarHBondContact CZ-O 3.47Å; F22-A418 HydrophobicContact CD2-CB 3.81Å; F22-A418 HydrophobicContact CE2-CB 3.34Å; F22-A418 VanDerWaalsContact CE2-O 3.31Å; F22-A418 WeakPolarHBondContact CE2-O 3.38Å; F22-A418 HydrophobicContact CZ-CB 4.24Å; F22-A418 WeakPolarHBondContact CZ-O 3.46Å; F22-S420 WeakPolarHBondContact CE1-OG 3.33Å; F22-L426 HydrophobicContact CD1-CD1 3.75Å; F22-L426 HydrophobicContact CD2-CD1 4.1Å; F22-L426 HydrophobicContact CE1-CD1 3.52Å; F22-L426 HydrophobicContact CE2-CD1 3.89Å; F22-L426 HydrophobicContact CG-CD1 4.04Å; F22-L426 HydrophobicContact CZ-CD1 3.58Å |
| 23 | G | 88.5 | Confident | 80.8 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 174.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | C31 I63 S409 | G23-C31 PolarHBondContact N-O 3.45Å; G23-C31 WeakPolarHBondContact O-CB 3.38Å; G23-C31 PolarHBondContact O-N 3.11Å; G23-I63 VanDerWaalsContact C-CD1 3.42Å; G23-I63 WeakPolarHBondContact O-CD1 3.41Å; G23-S409 VanDerWaalsContact CA-OG 3.22Å; G23-S409 WeakPolarHBondContact CA-OG 3.42Å |
| 24 | F | 89.9 | Confident | 80.5 | Confident | 9 Ų | 9 | 28.2 Ų | 28.2 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.9 | -174.2 | -68.9 | -92.3 | 0 | 0 | 0 | 111.9 | G26 V29 L30 I43 I63 R416 A418 L428 | F24-G26 WeakPolarHBondContact CB-O 3.48Å; F24-V29 CarbonylContact C-O 3.56Å; F24-V29 WeakPolarHBondContact CA-O 3.38Å; F24-L30 HydrophobicContact CD1-CD1 4.27Å; F24-L30 HydrophobicContact CD2-CD1 4.33Å; F24-L30 HydrophobicContact CE1-CD1 4.24Å; F24-L30 HydrophobicContact CE2-CD1 4.3Å; F24-L30 HydrophobicContact CG-CD1 4.33Å; F24-L30 HydrophobicContact CZ-CD1 4.27Å; F24-I43 HydrophobicContact CD1-CD1 4.26Å; F24-I43 HydrophobicContact CE1-CD1 3.64Å; F24-I63 WeakPolarHBondContact O-CG2 3.33Å; F24-R416 HydrophobicContact CE1-CB 4.06Å; F24-R416 HydrophobicContact CZ-CB 3.9Å; F24-A418 HydrophobicContact CE2-CB 3.66Å; F24-A418 HydrophobicContact CZ-CB 3.86Å; F24-L428 HydrophobicContact CE1-CD1 4.03Å; F24-L428 HydrophobicContact CZ-CD1 3.68Å; F24-L428 HydrophobicContact CZ-CG 4.38Å |
| 25 | L | 87 | Confident | 80.1 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 100.2 | 164.2 | -77.3 | 165.1 | 0 | 0 | 0 | 108.2 | V29 C31 F40 I63 P68 Y69 F70 Y87 | L25-V29 HydrophobicContact CB-CB 4.18Å; L25-V29 HydrophobicContact CB-CG1 4.36Å; L25-V29 PolarHBondContact N-O 3.41Å; L25-V29 WeakPolarHBondContact O-CB 3.39Å; L25-C31 HydrophobicContact CD1-CB 3.72Å; L25-C31 HydrophobicContact CG-CB 4.1Å; L25-F40 HydrophobicContact CD1-CD1 3.67Å; L25-F40 HydrophobicContact CD1-CE1 3.49Å; L25-F40 VanDerWaalsContact CD1-CE1 3.49Å; L25-I63 HydrophobicContact CD2-CG2 3.98Å; L25-I63 HydrophobicContact CG-CG2 4.25Å; L25-P68 HydrophobicContact CD2-CB 4.46Å; L25-Y69 WeakPolarHBondContact CD2-O 3.35Å; L25-F70 HydrophobicContact CD1-CD1 3.78Å; L25-F70 HydrophobicContact CD1-CE1 4.38Å; L25-F70 HydrophobicContact CD1-CG 4.42Å; L25-F70 HydrophobicContact CD2-CB 4.23Å; L25-F70 HydrophobicContact CD2-CD1 4.14Å; L25-Y87 HydrophobicContact CD1-CG 4.2Å |
| 26 | G | 84.2 | Confident | 79.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | -147.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F24 S412 | F24-G26 WeakPolarHBondContact CB-O 3.48Å; G26-S412 WeakPolarHBondContact CA-OG 3.28Å; G26-S412 PolarHBondContact O-OG 2.82Å |
| 27 | D | 82.3 | Confident | 80.5 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 34% | 0.337 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -17.4 | -172.1 | -76.6 | -19.9 | 0 | 0 | 0 | 116.1 | S412 S413 R416 | D27-S412 PolarHBondContact OD1-OG 3.19Å; D27-S413 VanDerWaalsContact CG-CB 3.42Å; D27-S413 WeakPolarHBondContact OD1-CA 3.48Å; D27-S413 WeakPolarHBondContact OD1-CB 3.44Å; D27-S413 PolarHBondContact OD1-N 2.99Å; D27-S413 PolarHBondContact OD1-OG 3.16Å; D27-S413 VanDerWaalsContact OD2-CB 3.22Å; D27-S413 WeakPolarHBondContact OD2-CB 3.29Å; D27-S413 PolarHBondContact OD2-OG 3.36Å; D27-R416 PolarHBondContact O-NH1 3.44Å |
| 28 | H | 85.7 | Confident | 81.7 | Confident | 73 Ų | 73 | 27.7 Ų | 27.7 | 34% | 0.338 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -11.6 | -167.8 | 58.2 | -74.1 | 0 | 0 | 0 | 114.7 | D42 I43 L44 | H28-D42 IonicContact CD2-OD1 2.78Å; H28-D42 PolarHBondContact CD2-OD1 3.02Å; H28-I43 WeakPolarHBondContact O-CB 3.24Å; H28-I43 WeakPolarHBondContact O-CD1 3.47Å; H28-I43 WeakPolarHBondContact O-CG1 3.49Å; H28-I43 PolarHBondContact O-N 2.84Å; H28-L44 HydrophobicContact CB-CD1 3.55Å; H28-L44 HydrophobicContact CB-CG 3.69Å |
| 29 | V | 89.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | F24 L25 F40 Y87 | F24-V29 CarbonylContact C-O 3.56Å; F24-V29 WeakPolarHBondContact CA-O 3.38Å; L25-V29 HydrophobicContact CB-CB 4.18Å; L25-V29 HydrophobicContact CB-CG1 4.36Å; L25-V29 PolarHBondContact N-O 3.41Å; L25-V29 WeakPolarHBondContact O-CB 3.39Å; V29-F40 HydrophobicContact CG1-CB 4.03Å; V29-F40 HydrophobicContact CG1-CD1 4.32Å; V29-Y87 HydrophobicContact CB-CE1 4.38Å; V29-Y87 HydrophobicContact CG1-CD1 4.5Å; V29-Y87 HydrophobicContact CG1-CE1 3.97Å; V29-Y87 HydrophobicContact CG2-CE1 3.88Å |
| 30 | L | 89 | Confident | 84.5 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.1 | 174.4 | -177 | 67 | 0 | 0 | 0 | 109 | F22 F24 I32 F40 H41 I43 A418 L426 L428 | F22-L30 HydrophobicContact CD2-CD1 4.06Å; F24-L30 HydrophobicContact CD1-CD1 4.27Å; F24-L30 HydrophobicContact CD2-CD1 4.33Å; F24-L30 HydrophobicContact CE1-CD1 4.24Å; F24-L30 HydrophobicContact CE2-CD1 4.3Å; F24-L30 HydrophobicContact CG-CD1 4.33Å; F24-L30 HydrophobicContact CZ-CD1 4.27Å; L30-I32 HydrophobicContact CD2-CD1 3.96Å; L30-I32 HydrophobicContact CD2-CG1 4.15Å; L30-I32 HydrophobicContact CG-CD1 4.22Å; L30-I32 HydrophobicContact CG-CG1 3.91Å; L30-F40 WeakPolarHBondContact O-CA 3.42Å; L30-H41 HydrophobicContact CB-CB 4.35Å; L30-H41 PolarHBondContact N-O 3.18Å; L30-H41 PolarHBondContact O-N 3.26Å; L30-I43 HydrophobicContact CB-CD1 4.21Å; L30-A418 HydrophobicContact CD1-CB 4.09Å; L30-L426 HydrophobicContact CD2-CD2 3.96Å; L30-L428 HydrophobicContact CD2-CD1 3.92Å |
| 31 | C | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.6 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | F22 G23 L25 I38 K39 F40 I63 | F22-C31 CarbonylContact C-O 3.55Å; F22-C31 WeakPolarHBondContact CA-O 3.26Å; F22-C31 VanDerWaalsContact CB-O 3.29Å; F22-C31 WeakPolarHBondContact CB-O 3.42Å; G23-C31 PolarHBondContact N-O 3.45Å; G23-C31 WeakPolarHBondContact O-CB 3.38Å; G23-C31 PolarHBondContact O-N 3.11Å; L25-C31 HydrophobicContact CD1-CB 3.72Å; L25-C31 HydrophobicContact CG-CB 4.1Å; C31-I38 WeakPolarHBondContact SG-CG2 3.42Å; C31-K39 CarbonylContact C-O 3.51Å; C31-F40 HydrophobicContact CB-CD1 4.26Å; C31-F40 HydrophobicContact CB-CE1 4.28Å; C31-I63 HydrophobicContact CB-CD1 3.83Å |
| 32 | I | 87.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 13.3 Ų | 13.3 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.7 | -173.4 | -56.5 | 172.6 | 0 | 0 | 0 | 108.8 | L17 F22 L30 I38 K39 L426 I445 | L17-I32 HydrophobicContact CD1-CG2 4.1Å; L17-I32 HydrophobicContact CD2-CG2 3.3Å; L17-I32 HydrophobicContact CG-CG2 4.23Å; F22-I32 HydrophobicContact CB-CB 4.49Å; F22-I32 HydrophobicContact CB-CG1 4.18Å; L30-I32 HydrophobicContact CD2-CD1 3.96Å; L30-I32 HydrophobicContact CD2-CG1 4.15Å; L30-I32 HydrophobicContact CG-CD1 4.22Å; L30-I32 HydrophobicContact CG-CG1 3.91Å; I32-I38 CarbonylContact O-C 3.12Å; I32-I38 WeakPolarHBondContact O-CA 3.31Å; I32-K39 HydrophobicContact CB-CB 4.34Å; I32-K39 PolarHBondContact N-O 3.37Å; I32-K39 PolarHBondContact O-N 3.24Å; I32-L426 HydrophobicContact CD1-CD2 3.67Å; I32-L426 HydrophobicContact CG1-CD2 4.17Å; I32-I445 HydrophobicContact CD1-CD1 4.16Å |
| 33 | K | 85.9 | Confident | 85.6 | Confident | 20 Ų | 20 | 13.9 Ų | 13.9 | 9% | 0.087 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.6 | 173.2 | -173.5 | -162.8 | 166.1 | -158.5 | 0 | 110.5 | L17 Q21 G35 T59 L61 E755 | L17-K33 WeakPolarHBondContact CD2-O 3.31Å; Q21-K33 HydrophobicContact CB-CB 4.09Å; Q21-K33 HydrophobicContact CB-CD 4.31Å; Q21-K33 VanDerWaalsContact O-CB 3.31Å; Q21-K33 WeakPolarHBondContact O-CB 3.41Å; Q21-K33 PolarHBondContact O-N 2.86Å; K33-G35 VanDerWaalsContact CE-O 3.23Å; K33-G35 WeakPolarHBondContact CE-O 3.5Å; K33-T59 WeakPolarHBondContact CE-O 3.34Å; K33-T59 VanDerWaalsContact CE-OG1 3.27Å; K33-T59 WeakPolarHBondContact CE-OG1 3.28Å; K33-T59 PolarHBondContact NZ-O 3.39Å; K33-L61 HydrophobicContact CB-CB 4.1Å; K33-L61 HydrophobicContact CB-CD2 3.92Å; K33-E755 IonicContact NZ-OE1 2.71Å; K33-E755 PolarHBondContact NZ-OE1 2.76Å |
| 34 | C | 80 | Confident | 85.3 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 88.4 | 173.2 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | V14 G16 S37 L781 | V14-C34 HydrophobicContact CG1-CB 3.83Å; G16-C34 WeakPolarHBondContact O-CA 3.4Å; G16-C34 WeakPolarHBondContact O-CB 3.48Å; C34-S37 CarbonylContact C-O 3.56Å; C34-S37 VanDerWaalsContact C-O 3.3Å; C34-S37 WeakPolarHBondContact CA-O 3.47Å; C34-S37 PolarHBondContact N-O 3.46Å; C34-S37 CarbonylContact O-C 3.53Å; C34-S37 WeakPolarHBondContact O-CA 3.47Å; C34-S37 WeakPolarHBondContact O-CB 3.33Å; C34-S37 PolarHBondContact O-N 3.45Å; C34-L781 HydrophobicContact CB-CD1 3.79Å; C34-L781 WeakPolarHBondContact O-CD1 3.49Å |
| 35 | G | 76.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 22.4 Ų | 22.4 | 10% | 0.103 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -130.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K33 S37 T59 | K33-G35 VanDerWaalsContact CE-O 3.23Å; K33-G35 WeakPolarHBondContact CE-O 3.5Å; G35-S37 PolarHBondContact O-N 3.22Å; G35-T59 PolarHBondContact O-OG1 3.36Å |
| 36 | P | 79.3 | Confident | 84.6 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -1.7 | 174.9 | 34.2 | -34.3 | 0 | 0 | 0 | 113.1 | S53 I753 | P36-S53 WeakPolarHBondContact O-CB 3.41Å; P36-S53 PolarHBondContact O-N 3.15Å; P36-S53 PolarHBondContact O-OG 3.1Å; P36-I753 WeakPolarHBondContact CG-O 3.42Å |
| 37 | S | 82.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 155.6 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | C34 G35 L51 H52 | C34-S37 CarbonylContact C-O 3.56Å; C34-S37 VanDerWaalsContact C-O 3.3Å; C34-S37 WeakPolarHBondContact CA-O 3.47Å; C34-S37 PolarHBondContact N-O 3.46Å; C34-S37 CarbonylContact O-C 3.53Å; C34-S37 WeakPolarHBondContact O-CA 3.47Å; C34-S37 WeakPolarHBondContact O-CB 3.33Å; C34-S37 PolarHBondContact O-N 3.45Å; G35-S37 PolarHBondContact O-N 3.22Å; S37-L51 CarbonylContact C-O 3.46Å; S37-L51 WeakPolarHBondContact CA-O 3.42Å; S37-H52 PolarHBondContact OG-ND1 2.97Å |
| 38 | I | 86.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.4 | 178.8 | -64.1 | 172.1 | 0 | 0 | 0 | 108.3 | C31 I32 F40 T50 L51 L61 F70 V72 | C31-I38 WeakPolarHBondContact SG-CG2 3.42Å; I32-I38 CarbonylContact O-C 3.12Å; I32-I38 WeakPolarHBondContact O-CA 3.31Å; I38-F40 HydrophobicContact CB-CZ 4.4Å; I38-F40 HydrophobicContact CG2-CE1 4Å; I38-F40 HydrophobicContact CG2-CE2 3.98Å; I38-F40 HydrophobicContact CG2-CZ 3.58Å; I38-T50 CarbonylContact O-C 3.5Å; I38-T50 WeakPolarHBondContact O-CA 3.31Å; I38-L51 PolarHBondContact N-O 3.47Å; I38-L51 PolarHBondContact O-N 3.33Å; I38-L61 HydrophobicContact CD1-CD1 4.12Å; I38-F70 HydrophobicContact CD1-CD2 4.14Å; I38-F70 HydrophobicContact CD1-CE2 3.88Å; I38-V72 HydrophobicContact CD1-CB 4.38Å; I38-V72 HydrophobicContact CD1-CG1 4.35Å; I38-V72 HydrophobicContact CD1-CG2 3.2Å |
| 39 | K | 86.5 | Confident | 84.4 | Confident | 19 Ų | 19 | 33.1 Ų | 33.1 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.6 | -179.4 | -176.3 | 172.3 | 170.8 | 157.9 | 0 | 109.1 | C31 I32 V48 E49 | C31-K39 CarbonylContact C-O 3.51Å; I32-K39 HydrophobicContact CB-CB 4.34Å; I32-K39 PolarHBondContact N-O 3.37Å; I32-K39 PolarHBondContact O-N 3.24Å; K39-V48 HydrophobicContact CD-CG1 3.98Å; K39-V48 VanDerWaalsContact CE-CG1 3.42Å; K39-V48 HydrophobicContact CG-CG1 3.7Å; K39-E49 CarbonylContact C-O 3.44Å; K39-E49 WeakPolarHBondContact CA-O 3.41Å |
| 40 | F | 89.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 113.4 | 171.2 | -54.1 | -83 | 0 | 0 | 0 | 107.7 | L25 V29 L30 C31 I38 V48 E49 L51 F70 Y87 | L25-F40 HydrophobicContact CD1-CD1 3.67Å; L25-F40 HydrophobicContact CD1-CE1 3.49Å; L25-F40 VanDerWaalsContact CD1-CE1 3.49Å; V29-F40 HydrophobicContact CG1-CB 4.03Å; V29-F40 HydrophobicContact CG1-CD1 4.32Å; L30-F40 WeakPolarHBondContact O-CA 3.42Å; C31-F40 HydrophobicContact CB-CD1 4.26Å; C31-F40 HydrophobicContact CB-CE1 4.28Å; I38-F40 HydrophobicContact CB-CZ 4.4Å; I38-F40 HydrophobicContact CG2-CE1 4Å; I38-F40 HydrophobicContact CG2-CE2 3.98Å; I38-F40 HydrophobicContact CG2-CZ 3.58Å; F40-V48 WeakPolarHBondContact O-CA 3.08Å; F40-E49 HydrophobicContact CB-CB 4.33Å; F40-E49 HydrophobicContact CD2-CB 4.31Å; F40-E49 PolarHBondContact N-O 2.77Å; F40-E49 PolarHBondContact O-N 3.42Å; F40-L51 HydrophobicContact CE2-CB 3.67Å; F40-L51 HydrophobicContact CE2-CD2 4.41Å; F40-L51 HydrophobicContact CZ-CB 4.39Å; F40-L51 HydrophobicContact CZ-CD2 4.39Å; F40-F70 HydrophobicContact CE1-CD1 4.08Å; F40-F70 AromaticContact CE1-CE1 3.66Å; F40-F70 HydrophobicContact CE1-CE1 3.66Å; F40-F70 HydrophobicContact CE1-CE2 4.4Å; F40-F70 AromaticContact CE1-CZ 3.85Å; F40-F70 HydrophobicContact CE1-CZ 3.85Å; F40-F70 HydrophobicContact CE2-CZ 4.42Å; F40-F70 HydrophobicContact CZ-CD1 4.39Å; F40-F70 AromaticContact CZ-CE1 3.61Å; F40-F70 HydrophobicContact CZ-CE1 3.61Å; F40-F70 AromaticContact CZ-CE2 3.89Å; F40-F70 HydrophobicContact CZ-CE2 3.89Å; F40-F70 AromaticContact CZ-CZ 3.33Å; F40-F70 HydrophobicContact CZ-CZ 3.33Å; F40-Y87 HydrophobicContact CB-CE2 3.96Å; F40-Y87 AromaticContact CD1-CD2 3.7Å; F40-Y87 HydrophobicContact CD1-CD2 3.7Å; F40-Y87 AromaticContact CD1-CE2 3.8Å; F40-Y87 HydrophobicContact CD1-CE2 3.8Å; F40-Y87 HydrophobicContact CD1-CG 4.49Å; F40-Y87 HydrophobicContact CD2-CD2 4.43Å; F40-Y87 HydrophobicContact CD2-CE2 4.16Å; F40-Y87 AromaticContact CE1-CD2 3.9Å; F40-Y87 HydrophobicContact CE1-CD2 3.9Å; F40-Y87 HydrophobicContact CE1-CE2 4.42Å; F40-Y87 AromaticContact CG-CD2 3.99Å; F40-Y87 HydrophobicContact CG-CD2 3.99Å; F40-Y87 AromaticContact CG-CE2 3.67Å; F40-Y87 HydrophobicContact CG-CE2 3.67Å; F40-Y87 HydrophobicContact CZ-CD2 4.38Å |
| 41 | H | 87.2 | Confident | 84 | Confident | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.032 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 103.9 | 175.7 | -169.8 | 75.6 | 0 | 0 | 0 | 108.7 | L30 I43 N46 V48 K443 | L30-H41 HydrophobicContact CB-CB 4.35Å; L30-H41 PolarHBondContact N-O 3.18Å; L30-H41 PolarHBondContact O-N 3.26Å; H41-I43 PolarHBondContact O-N 3Å; H41-N46 PolarHBondContact NE2-OD1 3.19Å; H41-V48 VanDerWaalsContact ND1-CG2 3.34Å; H41-V48 WeakPolarHBondContact ND1-CG2 3.31Å; H41-K443 PolarHBondContact CE1-NZ 2.93Å; H41-K443 PolarHBondContact NE2-NZ 3.45Å |
| 42 | D | 86.6 | Confident | 83.7 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112.1 | 169.9 | -179.8 | -5.9 | 0 | 0 | 0 | 108.8 | H28 L44 T45 N46 K47 | H28-D42 IonicContact CD2-OD1 2.78Å; H28-D42 PolarHBondContact CD2-OD1 3.02Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 3.48Å; D42-L44 PolarHBondContact OD1-N 2.94Å; D42-T45 WeakPolarHBondContact CB-OG1 3.28Å; D42-T45 PolarHBondContact OD1-N 3.16Å; D42-T45 WeakPolarHBondContact OD2-CB 3.3Å; D42-T45 VanDerWaalsContact OD2-CG2 3.25Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.48Å; D42-T45 PolarHBondContact OD2-OG1 3.5Å; D42-N46 WeakPolarHBondContact O-CA 3.48Å; D42-N46 PolarHBondContact O-N 3.3Å; D42-K47 PolarHBondContact N-O 3.07Å |
| 43 | I | 83.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31 | -176.3 | -61.8 | 154 | 0 | 0 | 0 | 111.2 | F24 H28 L30 H41 L428 | F24-I43 HydrophobicContact CD1-CD1 4.26Å; F24-I43 HydrophobicContact CE1-CD1 3.64Å; H28-I43 WeakPolarHBondContact O-CB 3.24Å; H28-I43 WeakPolarHBondContact O-CD1 3.47Å; H28-I43 WeakPolarHBondContact O-CG1 3.49Å; H28-I43 PolarHBondContact O-N 2.84Å; L30-I43 HydrophobicContact CB-CD1 4.21Å; H41-I43 PolarHBondContact O-N 3Å; I43-L428 HydrophobicContact CD1-CD1 4.15Å; I43-L428 HydrophobicContact CD1-CD2 3.51Å; I43-L428 HydrophobicContact CD1-CG 4.48Å; I43-L428 HydrophobicContact CG1-CD2 3.93Å; I43-L428 HydrophobicContact CG2-CD2 3.85Å |
| 44 | L | 81.9 | Confident | 82.3 | Confident | 117 Ų | 117 | 41.5 Ų | 41.5 | 61% | 0.613 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -42.6 | -178.3 | -67.8 | 174.5 | 0 | 0 | 0 | 111.6 | H28 D42 | H28-L44 HydrophobicContact CB-CD1 3.55Å; H28-L44 HydrophobicContact CB-CG 3.69Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 3.48Å; D42-L44 PolarHBondContact OD1-N 2.94Å |
| 45 | T | 82.9 | Confident | 82 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 44% | 0.442 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -8.4 | -178.9 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | D42 K47 | D42-T45 WeakPolarHBondContact CB-OG1 3.28Å; D42-T45 PolarHBondContact OD1-N 3.16Å; D42-T45 WeakPolarHBondContact OD2-CB 3.3Å; D42-T45 VanDerWaalsContact OD2-CG2 3.25Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.48Å; D42-T45 PolarHBondContact OD2-OG1 3.5Å; T45-K47 PolarHBondContact O-N 3.09Å; T45-K47 VanDerWaalsContact O-N 3.07Å; T45-K47 WeakPolarHBondContact OG1-CB 3.34Å; T45-K47 WeakPolarHBondContact OG1-CG 3.37Å; T45-K47 PolarHBondContact OG1-N 3.45Å |
| 46 | N | 79.1 | Confident | 81.7 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | trans | 53 | 17.3 | -167.7 | -82.8 | -32.9 | 0 | 0 | 0 | 114.2 | H41 D42 K443 | H41-N46 PolarHBondContact NE2-OD1 3.19Å; D42-N46 WeakPolarHBondContact O-CA 3.48Å; D42-N46 PolarHBondContact O-N 3.3Å; N46-K443 PolarHBondContact OD1-NZ 3.2Å | ||
| 47 | K | 81.1 | Confident | 81.5 | Confident | 146 Ų | 146 | 47.4 Ų | 47.4 | 64% | 0.635 | 25% | 0.245 | S | C | * | . | trans | -76.8 | 136.6 | 175.8 | -70.1 | -179.3 | 178 | -179.2 | 0 | 110.4 | D42 T45 | D42-K47 PolarHBondContact N-O 3.07Å; T45-K47 PolarHBondContact O-N 3.09Å; T45-K47 VanDerWaalsContact O-N 3.07Å; T45-K47 WeakPolarHBondContact OG1-CB 3.34Å; T45-K47 WeakPolarHBondContact OG1-CG 3.37Å; T45-K47 PolarHBondContact OG1-N 3.45Å | ||
| 48 | V | 83.5 | Confident | 81.2 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 38% | 0.382 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.6 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 108.6 | K39 F40 H41 | K39-V48 HydrophobicContact CD-CG1 3.98Å; K39-V48 VanDerWaalsContact CE-CG1 3.42Å; K39-V48 HydrophobicContact CG-CG1 3.7Å; F40-V48 WeakPolarHBondContact O-CA 3.08Å; H41-V48 VanDerWaalsContact ND1-CG2 3.34Å; H41-V48 WeakPolarHBondContact ND1-CG2 3.31Å |
| 49 | E | 84.7 | Confident | 81.1 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144 | 167 | -63.8 | -167.7 | 178.1 | 0 | 0 | 110.3 | K39 F40 K90 | K39-E49 CarbonylContact C-O 3.44Å; K39-E49 WeakPolarHBondContact CA-O 3.41Å; F40-E49 HydrophobicContact CB-CB 4.33Å; F40-E49 HydrophobicContact CD2-CB 4.31Å; F40-E49 PolarHBondContact N-O 2.77Å; F40-E49 PolarHBondContact O-N 3.42Å; E49-K90 IonicContact OE2-NZ 3.82Å; E49-K90 PolarHBondContact OE2-NZ 3.17Å |
| 50 | T | 84.5 | Confident | 81 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.1 | 175.5 | -52.4 | 0 | 0 | 0 | 0 | 110 | F11 V14 I38 | F11-T50 HydrophobicContact CB-CG2 4.48Å; V14-T50 HydrophobicContact CB-CG2 4.31Å; V14-T50 HydrophobicContact CG2-CG2 3.87Å; I38-T50 CarbonylContact O-C 3.5Å; I38-T50 WeakPolarHBondContact O-CA 3.31Å |
| 51 | L | 84.8 | Confident | 81 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.9 | 169.7 | 177.1 | 71.3 | 0 | 0 | 0 | 108.5 | S37 I38 F40 F70 Y85 K90 | S37-L51 CarbonylContact C-O 3.46Å; S37-L51 WeakPolarHBondContact CA-O 3.42Å; I38-L51 PolarHBondContact N-O 3.47Å; I38-L51 PolarHBondContact O-N 3.33Å; F40-L51 HydrophobicContact CE2-CB 3.67Å; F40-L51 HydrophobicContact CE2-CD2 4.41Å; F40-L51 HydrophobicContact CZ-CB 4.39Å; F40-L51 HydrophobicContact CZ-CD2 4.39Å; L51-F70 HydrophobicContact CD2-CE2 3.97Å; L51-F70 HydrophobicContact CD2-CZ 3.68Å; L51-Y85 HydrophobicContact CD2-CD1 4.43Å; L51-Y85 HydrophobicContact CD2-CD2 4.3Å; L51-Y85 HydrophobicContact CD2-CE1 4.49Å; L51-Y85 HydrophobicContact CD2-CE2 4.35Å; L51-Y85 HydrophobicContact CD2-CG 4.34Å; L51-K90 HydrophobicContact CD1-CD 4.27Å |
| 52 | H | 82.4 | Confident | 81.1 | Confident | 51 Ų | 51 | 49 Ų | 49 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.3 | 175.4 | -174.6 | 69.7 | 0 | 0 | 0 | 109.9 | F11 S37 N752 | F11-H52 HydrophobicContact CD2-CB 3.9Å; F11-H52 HydrophobicContact CE2-CB 3.6Å; F11-H52 AromaticContact CE2-CD2 3.93Å; F11-H52 AromaticContact CE2-CG 3.41Å; F11-H52 VanDerWaalsContact CE2-CG 3.41Å; F11-H52 AromaticContact CE2-ND1 3.55Å; F11-H52 HydrophobicContact CZ-CB 4.48Å; F11-H52 AromaticContact CZ-CE1 3.89Å; F11-H52 AromaticContact CZ-CG 3.94Å; F11-H52 AromaticContact CZ-ND1 3.58Å; S37-H52 PolarHBondContact OG-ND1 2.97Å; H52-N752 PolarHBondContact CE1-O 3.23Å; H52-N752 PolarHBondContact NE2-O 3.42Å |
| 53 | S | 77.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | trans | -70.8 | 149.4 | 176.6 | 72.2 | 0 | 0 | 0 | 0 | 110.6 | P36 T55 | P36-S53 WeakPolarHBondContact O-CB 3.41Å; P36-S53 PolarHBondContact O-N 3.15Å; P36-S53 PolarHBondContact O-OG 3.1Å; S53-T55 PolarHBondContact O-N 3.34Å; S53-T55 PolarHBondContact OG-OG1 3.02Å | ||
| 54 | P | 67.2 | Low | 81.6 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -76 | 18.2 | -178.6 | 31.2 | -35.6 | 0 | 0 | 0 | 113.6 | Y83 | P54-Y83 HydrophobicContact CG-CD1 4.23Å; P54-Y83 HydrophobicContact CG-CE1 3.73Å |
| 55 | T | 73.3 | Confident | 81.7 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | trans | -120.2 | 152.4 | -168 | 83.3 | 0 | 0 | 0 | 0 | 111 | S53 T59 E74 Y83 | S53-T55 PolarHBondContact O-N 3.34Å; S53-T55 PolarHBondContact OG-OG1 3.02Å; T55-T59 WeakPolarHBondContact OG1-CG2 3.46Å; T55-E74 HydrophobicContact CG2-CG 3.83Å; T55-E74 WeakPolarHBondContact CG2-OE1 3.41Å; T55-Y83 HydrophobicContact CG2-CD2 4.44Å; T55-Y83 HydrophobicContact CG2-CE2 3.56Å | ||
| 56 | K | 69.8 | Low | 81.7 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -103.1 | -2.3 | 175.3 | 64.6 | 176.4 | -177.2 | 171.6 | 0 | 113.3 | N752 S756 | K56-N752 HydrophobicContact CB-CB 4.48Å; K56-S756 WeakPolarHBondContact O-CB 3.5Å; K56-S756 PolarHBondContact O-N 2.78Å; K56-S756 PolarHBondContact O-OG 3.44Å |
| 57 | H | 75.5 | Confident | 82 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -100 | 166.7 | -171.9 | -53 | 117.1 | 0 | 0 | 0 | 110.4 | T59 N77 | H57-T59 PolarHBondContact O-N 3.43Å; H57-N77 PolarHBondContact CE1-OD1 3.28Å; H57-N77 VanDerWaalsContact ND1-CG 3.28Å; H57-N77 PolarHBondContact ND1-ND2 3.36Å |
| 58 | S | 78.2 | Confident | 82.3 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | trans | -60.2 | 133.8 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L75 | S58-L75 PolarHBondContact O-N 3.11Š| ||
| 59 | T | 82.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 156.7 | -179 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | K33 G35 T55 H57 V72 T73 L75 | K33-T59 WeakPolarHBondContact CE-O 3.34Å; K33-T59 VanDerWaalsContact CE-OG1 3.27Å; K33-T59 WeakPolarHBondContact CE-OG1 3.28Å; K33-T59 PolarHBondContact NZ-O 3.39Å; G35-T59 PolarHBondContact O-OG1 3.36Å; T55-T59 WeakPolarHBondContact OG1-CG2 3.46Å; H57-T59 PolarHBondContact O-N 3.43Å; T59-V72 HydrophobicContact CG2-CG1 3.85Å; T59-T73 CarbonylContact C-O 3.57Å; T59-T73 VanDerWaalsContact C-O 3.31Å; T59-T73 WeakPolarHBondContact CA-O 3.32Å; T59-T73 WeakPolarHBondContact CB-O 3.47Å; T59-L75 VanDerWaalsContact O-CD1 3.32Å; T59-L75 WeakPolarHBondContact O-CD1 3.35Å |
| 60 | G | 84.8 | Confident | 83 | Confident | 4 Ų | 4 | 35 Ų | 35 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V72 T73 | G60-V72 CarbonylContact O-C 3.52Å; G60-V72 WeakPolarHBondContact O-CA 3.24Å; G60-T73 WeakPolarHBondContact CA-OG1 3.35Å; G60-T73 PolarHBondContact N-O 2.83Å; G60-T73 PolarHBondContact N-OG1 3.32Å; G60-T73 PolarHBondContact O-N 3.42Å; G60-T73 PolarHBondContact O-OG1 3.5Å |
| 61 | L | 89.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | 174.4 | 177.8 | 66.7 | 0 | 0 | 0 | 109.8 | Q21 K33 I38 I63 F70 S71 | Q21-L61 HydrophobicContact CB-CB 4.13Å; K33-L61 HydrophobicContact CB-CB 4.1Å; K33-L61 HydrophobicContact CB-CD2 3.92Å; I38-L61 HydrophobicContact CD1-CD1 4.12Å; L61-I63 HydrophobicContact CD1-CG1 4.29Å; L61-I63 HydrophobicContact CD2-CD1 4.17Å; L61-I63 HydrophobicContact CG-CD1 4.35Å; L61-I63 HydrophobicContact CG-CG1 4.26Å; L61-F70 HydrophobicContact CD1-CB 4.33Å; L61-F70 HydrophobicContact CD1-CD2 4.17Å; L61-S71 WeakPolarHBondContact CA-O 3.47Å |
| 62 | S | 89.2 | Confident | 83.5 | Confident | 19 Ų | 19 | 32 Ų | 32 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144 | 167.8 | -34.2 | 0 | 0 | 0 | 0 | 108.8 | F70 S71 S106 F108 | S62-F70 CarbonylContact O-C 3.55Å; S62-F70 WeakPolarHBondContact O-CA 3.44Å; S62-S71 WeakPolarHBondContact CB-OG 3.32Å; S62-S71 PolarHBondContact N-O 3.41Å; S62-S71 VanDerWaalsContact N-O 3.08Å; S62-S71 PolarHBondContact O-N 3.13Å; S62-S71 PolarHBondContact O-OG 3.38Å; S62-S71 PolarHBondContact OG-OG 3.03Å; S62-S106 WeakPolarHBondContact CB-O 3.31Å; S62-S106 PolarHBondContact OG-O 3.04Å; S62-S106 PolarHBondContact OG-OG 2.97Å; S62-F108 WeakPolarHBondContact O-CE2 3.4Å |
| 63 | I | 90.8 | Very high | 83.8 | Confident | 34 Ų | 34 | 29.6 Ų | 29.6 | 17% | 0.174 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.5 | -174.7 | -64.6 | 160.8 | 0 | 0 | 0 | 108.4 | G23 F24 L25 C31 L61 F70 | G23-I63 VanDerWaalsContact C-CD1 3.42Å; G23-I63 WeakPolarHBondContact O-CD1 3.41Å; F24-I63 WeakPolarHBondContact O-CG2 3.33Å; L25-I63 HydrophobicContact CD2-CG2 3.98Å; L25-I63 HydrophobicContact CG-CG2 4.25Å; C31-I63 HydrophobicContact CB-CD1 3.83Å; L61-I63 HydrophobicContact CD1-CG1 4.29Å; L61-I63 HydrophobicContact CD2-CD1 4.17Å; L61-I63 HydrophobicContact CG-CD1 4.35Å; L61-I63 HydrophobicContact CG-CG1 4.26Å; I63-F70 HydrophobicContact CG1-CB 4.09Å |
| 64 | H | 91.3 | Very high | 84.2 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | trans | -72.7 | 132 | 177.8 | -177.2 | -78.8 | 0 | 0 | 0 | 109.7 | L66 E67 Y69 F108 S109 T111 | H64-L66 PolarHBondContact ND1-N 2.99Å; H64-L66 PolarHBondContact O-N 3.01Å; H64-E67 WeakPolarHBondContact CB-O 3.39Å; H64-E67 PolarHBondContact CE1-N 3.4Å; H64-E67 VanDerWaalsContact CE1-N 3.32Å; H64-E67 PolarHBondContact ND1-N 2.86Å; H64-E67 PolarHBondContact ND1-O 3.4Å; H64-Y69 VanDerWaalsContact CB-O 3.27Å; H64-Y69 WeakPolarHBondContact CB-O 3.45Å; H64-Y69 PolarHBondContact N-O 3.12Å; H64-F108 HydrophobicContact CB-CB 4.21Å; H64-F108 HydrophobicContact CB-CD1 3.98Å; H64-F108 HydrophobicContact CB-CD2 4.07Å; H64-F108 HydrophobicContact CB-CE1 4.37Å; H64-F108 HydrophobicContact CB-CE2 4.45Å; H64-F108 HydrophobicContact CB-CG 3.83Å; H64-F108 AromaticContact CD2-CD1 3.71Å; H64-S109 PolarHBondContact CD2-O 3.06Å; H64-S109 PolarHBondContact NE2-O 3.05Å; H64-T111 PolarHBondContact NE2-O 3.09Å; H64-T111 VanDerWaalsContact NE2-O 3.08Å | ||
| 65 | P | 83.2 | Confident | 84.9 | Confident | 47 Ų | 47 | 27.6 Ų | 27.6 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -65.3 | -28.1 | -170.4 | -25.2 | 34.4 | 0 | 0 | 0 | 116.3 | H110 | P65-H110 VanDerWaalsContact CB-CE1 3.43Å; P65-H110 WeakPolarHBondContact CB-CE1 3.28Å; P65-H110 WeakPolarHBondContact CB-ND1 3.49Å |
| 66 | L | 83.2 | Confident | 84.9 | Confident | 93 Ų | 93 | 29.9 Ų | 29.9 | 49% | 0.487 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -119.4 | -59.2 | -172.5 | -62 | 175.1 | 0 | 0 | 0 | 113 | H64 H110 | H64-L66 PolarHBondContact ND1-N 2.99Å; H64-L66 PolarHBondContact O-N 3.01Å; L66-H110 HydrophobicContact CD1-CB 4.32Å |
| 67 | E | 86 | Confident | 85.2 | Confident | 76 Ų | 76 | 27.1 Ų | 27.1 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -77.1 | 152.9 | 176.4 | -58.8 | -166.7 | 151.2 | 0 | 0 | 112.2 | H64 Y69 | H64-E67 WeakPolarHBondContact CB-O 3.39Å; H64-E67 PolarHBondContact CE1-N 3.4Å; H64-E67 VanDerWaalsContact CE1-N 3.32Å; H64-E67 PolarHBondContact ND1-N 2.86Å; H64-E67 PolarHBondContact ND1-O 3.4Å; E67-Y69 HydrophobicContact CB-CD2 3.61Å; E67-Y69 HydrophobicContact CB-CE2 3.86Å; E67-Y69 PolarHBondContact O-N 3.35Å; E67-Y69 WeakPolarHBondContact OE2-CE2 3.46Å |
| 68 | P | 87.3 | Confident | 85.3 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -79.8 | 53.6 | -175.6 | 35.3 | -38.2 | 0 | 0 | 0 | 112.7 | L25 Y87 | L25-P68 HydrophobicContact CD2-CB 4.46Å; P68-Y87 WeakPolarHBondContact CB-O 3.4Å; P68-Y87 WeakPolarHBondContact CG-O 3.48Å; P68-Y87 PolarHBondContact O-N 3.08Å |
| 69 | Y | 90.4 | Very high | 85.4 | Confident | 25 Ų | 25 | 32.8 Ų | 32.8 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 145 | 171.8 | -65.1 | -88.8 | 0 | 0 | 0 | 111 | L25 H64 E67 I84 Y85 K86 F130 H131 | L25-Y69 WeakPolarHBondContact CD2-O 3.35Å; H64-Y69 VanDerWaalsContact CB-O 3.27Å; H64-Y69 WeakPolarHBondContact CB-O 3.45Å; H64-Y69 PolarHBondContact N-O 3.12Å; E67-Y69 HydrophobicContact CB-CD2 3.61Å; E67-Y69 HydrophobicContact CB-CE2 3.86Å; E67-Y69 PolarHBondContact O-N 3.35Å; E67-Y69 WeakPolarHBondContact OE2-CE2 3.46Å; Y69-I84 HydrophobicContact CD1-CG2 4.28Å; Y69-Y85 VanDerWaalsContact CA-O 3.3Å; Y69-Y85 WeakPolarHBondContact CA-O 3.3Å; Y69-K86 HydrophobicContact CD1-CB 3.82Å; Y69-K86 HydrophobicContact CD1-CG 4.1Å; Y69-K86 HydrophobicContact CE1-CB 3.54Å; Y69-K86 HydrophobicContact CE1-CD 3.82Å; Y69-K86 HydrophobicContact CE1-CG 3.62Å; Y69-K86 HydrophobicContact CE2-CG 4.49Å; Y69-K86 PolarHBondContact OH-NZ 3.16Å; Y69-F130 HydrophobicContact CD1-CE2 4.03Å; Y69-F130 HydrophobicContact CD2-CE2 4.07Å; Y69-F130 HydrophobicContact CD2-CZ 4.33Å; Y69-F130 HydrophobicContact CE1-CE2 4.22Å; Y69-F130 HydrophobicContact CE2-CE2 4.3Å; Y69-F130 AromaticContact CG-CE2 3.95Å; Y69-F130 HydrophobicContact CG-CE2 3.95Å; Y69-F130 HydrophobicContact CG-CZ 4.49Å; Y69-H131 AromaticContact CZ-NE2 3.87Å |
| 70 | F | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151 | 169.8 | 64.3 | -81 | 0 | 0 | 0 | 109.8 | L25 I38 F40 L51 L61 S62 I63 V72 I84 Y85 | L25-F70 HydrophobicContact CD1-CD1 3.78Å; L25-F70 HydrophobicContact CD1-CE1 4.38Å; L25-F70 HydrophobicContact CD1-CG 4.42Å; L25-F70 HydrophobicContact CD2-CB 4.23Å; L25-F70 HydrophobicContact CD2-CD1 4.14Å; I38-F70 HydrophobicContact CD1-CD2 4.14Å; I38-F70 HydrophobicContact CD1-CE2 3.88Å; F40-F70 HydrophobicContact CE1-CD1 4.08Å; F40-F70 AromaticContact CE1-CE1 3.66Å; F40-F70 HydrophobicContact CE1-CE1 3.66Å; F40-F70 HydrophobicContact CE1-CE2 4.4Å; F40-F70 AromaticContact CE1-CZ 3.85Å; F40-F70 HydrophobicContact CE1-CZ 3.85Å; F40-F70 HydrophobicContact CE2-CZ 4.42Å; F40-F70 HydrophobicContact CZ-CD1 4.39Å; F40-F70 AromaticContact CZ-CE1 3.61Å; F40-F70 HydrophobicContact CZ-CE1 3.61Å; F40-F70 AromaticContact CZ-CE2 3.89Å; F40-F70 HydrophobicContact CZ-CE2 3.89Å; F40-F70 AromaticContact CZ-CZ 3.33Å; F40-F70 HydrophobicContact CZ-CZ 3.33Å; L51-F70 HydrophobicContact CD2-CE2 3.97Å; L51-F70 HydrophobicContact CD2-CZ 3.68Å; L61-F70 HydrophobicContact CD1-CB 4.33Å; L61-F70 HydrophobicContact CD1-CD2 4.17Å; S62-F70 CarbonylContact O-C 3.55Å; S62-F70 WeakPolarHBondContact O-CA 3.44Å; I63-F70 HydrophobicContact CG1-CB 4.09Å; F70-V72 HydrophobicContact CD2-CG2 4.19Å; F70-V72 HydrophobicContact CE2-CG2 4.11Å; F70-I84 WeakPolarHBondContact O-CA 3.48Å; F70-Y85 HydrophobicContact CD2-CD2 4.27Å; F70-Y85 VanDerWaalsContact CE1-CB 3.43Å; F70-Y85 HydrophobicContact CE1-CG 4.43Å; F70-Y85 AromaticContact CE2-CD2 3.54Å; F70-Y85 HydrophobicContact CE2-CD2 3.54Å; F70-Y85 HydrophobicContact CE2-CE2 4.49Å; F70-Y85 AromaticContact CE2-CG 3.93Å; F70-Y85 HydrophobicContact CE2-CG 3.93Å; F70-Y85 AromaticContact CZ-CD2 3.85Å; F70-Y85 HydrophobicContact CZ-CD2 3.85Å; F70-Y85 AromaticContact CZ-CG 3.72Å; F70-Y85 HydrophobicContact CZ-CG 3.72Å; F70-Y85 PolarHBondContact N-O 2.91Å; F70-Y85 PolarHBondContact O-N 2.91Å |
| 71 | S | 90.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.8 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | L61 S62 Y83 F108 Y114 | L61-S71 WeakPolarHBondContact CA-O 3.47Å; S62-S71 WeakPolarHBondContact CB-OG 3.32Å; S62-S71 PolarHBondContact N-O 3.41Å; S62-S71 VanDerWaalsContact N-O 3.08Å; S62-S71 PolarHBondContact O-N 3.13Å; S62-S71 PolarHBondContact O-OG 3.38Å; S62-S71 PolarHBondContact OG-OG 3.03Å; S71-Y83 CarbonylContact C-O 3.58Å; S71-Y83 VanDerWaalsContact CA-O 3.23Å; S71-Y83 WeakPolarHBondContact CA-O 3.3Å; S71-F108 WeakPolarHBondContact OG-CE2 3.41Å; S71-Y114 VanDerWaalsContact CB-OH 3.25Å; S71-Y114 WeakPolarHBondContact CB-OH 3.17Å; S71-Y114 WeakPolarHBondContact OG-CE2 3.47Å; S71-Y114 PolarHBondContact OG-OH 2.97Å |
| 72 | V | 88.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 108.6 | 171.9 | -167.8 | 0 | 0 | 0 | 0 | 107.4 | I38 T59 G60 F70 Y83 Y85 | I38-V72 HydrophobicContact CD1-CB 4.38Å; I38-V72 HydrophobicContact CD1-CG1 4.35Å; I38-V72 HydrophobicContact CD1-CG2 3.2Å; T59-V72 HydrophobicContact CG2-CG1 3.85Å; G60-V72 CarbonylContact O-C 3.52Å; G60-V72 WeakPolarHBondContact O-CA 3.24Å; F70-V72 HydrophobicContact CD2-CG2 4.19Å; F70-V72 HydrophobicContact CE2-CG2 4.11Å; V72-Y83 PolarHBondContact N-O 3.45Å; V72-Y83 WeakPolarHBondContact O-CD2 3.42Å; V72-Y83 PolarHBondContact O-N 3.02Å; V72-Y85 HydrophobicContact CB-CE2 4.47Å; V72-Y85 HydrophobicContact CG2-CD2 3.99Å; V72-Y85 HydrophobicContact CG2-CE2 3.84Å |
| 73 | T | 88.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.6 | -178.9 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | T59 G60 L75 V82 S106 Y114 | T59-T73 CarbonylContact C-O 3.57Å; T59-T73 VanDerWaalsContact C-O 3.31Å; T59-T73 WeakPolarHBondContact CA-O 3.32Å; T59-T73 WeakPolarHBondContact CB-O 3.47Å; G60-T73 WeakPolarHBondContact CA-OG1 3.35Å; G60-T73 PolarHBondContact N-O 2.83Å; G60-T73 PolarHBondContact N-OG1 3.32Å; G60-T73 PolarHBondContact O-N 3.42Å; G60-T73 PolarHBondContact O-OG1 3.5Å; T73-L75 PolarHBondContact O-N 3.49Å; T73-V82 HydrophobicContact CG2-CB 4.02Å; T73-V82 HydrophobicContact CG2-CG1 3.62Å; T73-V82 HydrophobicContact CG2-CG2 3.54Å; T73-S106 WeakPolarHBondContact CG2-OG 3.46Å; T73-Y114 VanDerWaalsContact CG2-OH 3.27Å; T73-Y114 WeakPolarHBondContact CG2-OH 3.16Å |
| 74 | E | 86.4 | Confident | 85.5 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 118.3 | 166.2 | -68.9 | 171 | -179.5 | 0 | 0 | 108.3 | T55 N77 P80 K81 Y83 | T55-E74 HydrophobicContact CG2-CG 3.83Å; T55-E74 WeakPolarHBondContact CG2-OE1 3.41Å; E74-N77 HydrophobicContact CB-CB 4.29Å; E74-N77 PolarHBondContact OE2-ND2 3.4Å; E74-P80 HydrophobicContact CB-CB 3.79Å; E74-P80 WeakPolarHBondContact O-CB 3.44Å; E74-K81 PolarHBondContact N-O 3.34Å; E74-K81 PolarHBondContact OE2-N 3.28Å; E74-K81 VanDerWaalsContact OE2-N 3.16Å; E74-Y83 HydrophobicContact CG-CE2 4.26Å; E74-Y83 PolarHBondContact OE1-OH 3.37Å |
| 75 | L | 81.8 | Confident | 85.5 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -79.4 | -43.8 | -175.4 | -68.2 | 174 | 0 | 0 | 0 | 112 | S58 T59 T73 E102 I103 | S58-L75 PolarHBondContact O-N 3.11Å; T59-L75 VanDerWaalsContact O-CD1 3.32Å; T59-L75 WeakPolarHBondContact O-CD1 3.35Å; T73-L75 PolarHBondContact O-N 3.49Å; L75-E102 VanDerWaalsContact O-CA 3.3Å; L75-E102 WeakPolarHBondContact O-CA 3.42Å; L75-E102 WeakPolarHBondContact O-CG 2.92Å; L75-I103 WeakPolarHBondContact CD2-O 3.45Å; L75-I103 PolarHBondContact O-N 3.05Å |
| 76 | C | 74.5 | Confident | 85.7 | Confident | 56 Ų | 56 | 34 Ų | 34 | 38% | 0.378 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -133.5 | 96.1 | -177.5 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 77 | N | 76.1 | Confident | 85.8 | Confident | 38 Ų | 38 | 31.1 Ų | 31.1 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -156.8 | 159.4 | 177.5 | -175.7 | 23.1 | 0 | 0 | 0 | 109.5 | H57 E74 N79 P80 L101 | H57-N77 PolarHBondContact CE1-OD1 3.28Å; H57-N77 VanDerWaalsContact ND1-CG 3.28Å; H57-N77 PolarHBondContact ND1-ND2 3.36Å; E74-N77 HydrophobicContact CB-CB 4.29Å; E74-N77 PolarHBondContact OE2-ND2 3.4Å; N77-N79 PolarHBondContact O-N 3.39Å; N77-P80 VanDerWaalsContact O-CD 3.3Å; N77-P80 WeakPolarHBondContact O-CD 3.07Å; N77-L101 PolarHBondContact N-O 3.49Å; N77-L101 VanDerWaalsContact N-O 3.13Å; N77-L101 CarbonylContact O-C 3.54Å; N77-L101 WeakPolarHBondContact O-CA 3.44Å |
| 78 | V | 76.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 31.1 Ų | 31.1 | 60% | 0.6 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -69.7 | 121.7 | 167.8 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | L101 | V78-L101 HydrophobicContact CG2-CD2 4.3Š|
| 79 | N | 80.9 | Confident | 85.1 | Confident | 76 Ų | 76 | 34 Ų | 34 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 52.1 | 67 | -172.7 | -62.9 | -38.2 | 0 | 0 | 0 | 112.6 | N77 K81 K100 | N77-N79 PolarHBondContact O-N 3.39Å; N79-K81 PolarHBondContact O-N 2.89Å; N79-K100 PolarHBondContact N-O 3.15Å |
| 80 | P | 85 | Confident | 84.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -58.6 | 140.1 | -177.4 | 25.3 | -33 | 0 | 0 | 0 | 111.4 | E74 N77 S99 I103 | E74-P80 HydrophobicContact CB-CB 3.79Å; E74-P80 WeakPolarHBondContact O-CB 3.44Å; N77-P80 VanDerWaalsContact O-CD 3.3Å; N77-P80 WeakPolarHBondContact O-CD 3.07Å; P80-S99 WeakPolarHBondContact CD-O 3.37Å; P80-S99 WeakPolarHBondContact CD-OG 3.43Å; P80-S99 WeakPolarHBondContact CG-OG 3.4Å; P80-I103 HydrophobicContact CB-CD1 3.88Å; P80-I103 HydrophobicContact CB-CG1 4.1Å; P80-I103 HydrophobicContact CG-CD1 3.86Å; P80-I103 HydrophobicContact CG-CG1 3.66Å | ||
| 81 | K | 85.2 | Confident | 83.6 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 27% | 0.265 | 21% | 0.213 | S | C | . | . | trans | -104.3 | 147.7 | 178.8 | -67.9 | 168.7 | -172.9 | 163.9 | 0 | 111 | E74 N79 Y83 I94 | E74-K81 PolarHBondContact N-O 3.34Å; E74-K81 PolarHBondContact OE2-N 3.28Å; E74-K81 VanDerWaalsContact OE2-N 3.16Å; N79-K81 PolarHBondContact O-N 2.89Å; K81-Y83 HydrophobicContact CB-CD2 4.43Å; K81-Y83 HydrophobicContact CB-CE2 3.75Å; K81-Y83 WeakPolarHBondContact CD-OH 3.44Å; K81-I94 HydrophobicContact CB-CG2 4.3Å; K81-I94 HydrophobicContact CD-CG2 4.34Å; K81-I94 HydrophobicContact CG-CG2 4.43Å | ||
| 82 | V | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.8 | 169.9 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | T73 I84 I94 L95 A98 I103 Y114 T116 | T73-V82 HydrophobicContact CG2-CB 4.02Å; T73-V82 HydrophobicContact CG2-CG1 3.62Å; T73-V82 HydrophobicContact CG2-CG2 3.54Å; V82-I84 HydrophobicContact CG1-CD1 4.3Å; V82-I84 HydrophobicContact CG1-CG1 3.97Å; V82-I94 WeakPolarHBondContact O-CA 3.41Å; V82-L95 HydrophobicContact CB-CB 4.07Å; V82-L95 HydrophobicContact CB-CD1 4.17Å; V82-L95 HydrophobicContact CB-CG 4.33Å; V82-L95 HydrophobicContact CG1-CD1 4.13Å; V82-L95 PolarHBondContact N-O 3.19Å; V82-L95 VanDerWaalsContact N-O 3.11Å; V82-L95 PolarHBondContact O-N 3.48Å; V82-A98 HydrophobicContact CG2-CB 4.39Å; V82-I103 HydrophobicContact CG2-CD1 3.74Å; V82-Y114 HydrophobicContact CG1-CE1 3.71Å; V82-Y114 HydrophobicContact CG2-CE1 4.48Å; V82-T116 HydrophobicContact CG2-CG2 4.22Å |
| 83 | Y | 88.8 | Confident | 82.6 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116.8 | 176.9 | -55.7 | -94.7 | 0 | 0 | 0 | 108.6 | P54 T55 S71 V72 E74 K81 Y85 I94 | P54-Y83 HydrophobicContact CG-CD1 4.23Å; P54-Y83 HydrophobicContact CG-CE1 3.73Å; T55-Y83 HydrophobicContact CG2-CD2 4.44Å; T55-Y83 HydrophobicContact CG2-CE2 3.56Å; S71-Y83 CarbonylContact C-O 3.58Å; S71-Y83 VanDerWaalsContact CA-O 3.23Å; S71-Y83 WeakPolarHBondContact CA-O 3.3Å; V72-Y83 PolarHBondContact N-O 3.45Å; V72-Y83 WeakPolarHBondContact O-CD2 3.42Å; V72-Y83 PolarHBondContact O-N 3.02Å; E74-Y83 HydrophobicContact CG-CE2 4.26Å; E74-Y83 PolarHBondContact OE1-OH 3.37Å; K81-Y83 HydrophobicContact CB-CD2 4.43Å; K81-Y83 HydrophobicContact CB-CE2 3.75Å; K81-Y83 WeakPolarHBondContact CD-OH 3.44Å; Y83-Y85 VanDerWaalsContact CB-CE2 3.47Å; Y83-Y85 HydrophobicContact CG-CE2 4.49Å; Y83-I94 HydrophobicContact CD1-CD1 4.06Å; Y83-I94 HydrophobicContact CD1-CG1 3.83Å; Y83-I94 HydrophobicContact CD1-CG2 4.35Å; Y83-I94 HydrophobicContact CE1-CD1 3.92Å; Y83-I94 HydrophobicContact CE1-CG1 4.15Å; Y83-I94 HydrophobicContact CE1-CG2 4.25Å |
| 84 | I | 90.4 | Very high | 82.5 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.9 | 178.8 | -62.6 | 178.3 | 0 | 0 | 0 | 107.7 | Y69 F70 V82 N93 L95 F108 Y114 F130 | Y69-I84 HydrophobicContact CD1-CG2 4.28Å; F70-I84 WeakPolarHBondContact O-CA 3.48Å; V82-I84 HydrophobicContact CG1-CD1 4.3Å; V82-I84 HydrophobicContact CG1-CG1 3.97Å; I84-N93 HydrophobicContact CB-CB 4.29Å; I84-N93 PolarHBondContact N-O 2.94Å; I84-N93 PolarHBondContact O-N 3.44Å; I84-L95 HydrophobicContact CD1-CD1 3.65Å; I84-L95 HydrophobicContact CD1-CG 4.03Å; I84-F108 HydrophobicContact CD1-CE1 4.32Å; I84-F108 HydrophobicContact CD1-CZ 4.37Å; I84-F108 HydrophobicContact CG1-CZ 4.34Å; I84-F108 HydrophobicContact CG2-CE1 4.24Å; I84-F108 HydrophobicContact CG2-CZ 4.07Å; I84-Y114 HydrophobicContact CD1-CD1 4.43Å; I84-Y114 HydrophobicContact CD1-CD2 4.37Å; I84-Y114 HydrophobicContact CD1-CG 4.22Å; I84-F130 HydrophobicContact CD1-CB 3.38Å; I84-F130 HydrophobicContact CD1-CG 4.21Å; I84-F130 HydrophobicContact CG2-CD2 4.05Å |
| 85 | Y | 89.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.3 | -176 | -66.1 | -79 | 0 | 0 | 0 | 110.5 | L51 Y69 F70 V72 Y83 E91 E92 | L51-Y85 HydrophobicContact CD2-CD1 4.43Å; L51-Y85 HydrophobicContact CD2-CD2 4.3Å; L51-Y85 HydrophobicContact CD2-CE1 4.49Å; L51-Y85 HydrophobicContact CD2-CE2 4.35Å; L51-Y85 HydrophobicContact CD2-CG 4.34Å; Y69-Y85 VanDerWaalsContact CA-O 3.3Å; Y69-Y85 WeakPolarHBondContact CA-O 3.3Å; F70-Y85 HydrophobicContact CD2-CD2 4.27Å; F70-Y85 VanDerWaalsContact CE1-CB 3.43Å; F70-Y85 HydrophobicContact CE1-CG 4.43Å; F70-Y85 AromaticContact CE2-CD2 3.54Å; F70-Y85 HydrophobicContact CE2-CD2 3.54Å; F70-Y85 HydrophobicContact CE2-CE2 4.49Å; F70-Y85 AromaticContact CE2-CG 3.93Å; F70-Y85 HydrophobicContact CE2-CG 3.93Å; F70-Y85 AromaticContact CZ-CD2 3.85Å; F70-Y85 HydrophobicContact CZ-CD2 3.85Å; F70-Y85 AromaticContact CZ-CG 3.72Å; F70-Y85 HydrophobicContact CZ-CG 3.72Å; F70-Y85 PolarHBondContact N-O 2.91Å; F70-Y85 PolarHBondContact O-N 2.91Å; V72-Y85 HydrophobicContact CB-CE2 4.47Å; V72-Y85 HydrophobicContact CG2-CD2 3.99Å; V72-Y85 HydrophobicContact CG2-CE2 3.84Å; Y83-Y85 VanDerWaalsContact CB-CE2 3.47Å; Y83-Y85 HydrophobicContact CG-CE2 4.49Å; Y85-E91 VanDerWaalsContact CA-O 3.31Å; Y85-E91 WeakPolarHBondContact CA-O 3.29Å; Y85-E92 HydrophobicContact CD1-CB 4.1Å; Y85-E92 HydrophobicContact CE1-CB 3.71Å |
| 86 | K | 87.6 | Confident | 82.4 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 27% | 0.274 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.9 | 169.5 | -168.8 | 178.3 | -175.2 | 170.4 | 0 | 110.6 | Y69 Q89 K90 E91 | Y69-K86 HydrophobicContact CD1-CB 3.82Å; Y69-K86 HydrophobicContact CD1-CG 4.1Å; Y69-K86 HydrophobicContact CE1-CB 3.54Å; Y69-K86 HydrophobicContact CE1-CD 3.82Å; Y69-K86 HydrophobicContact CE1-CG 3.62Å; Y69-K86 HydrophobicContact CE2-CG 4.49Å; Y69-K86 PolarHBondContact OH-NZ 3.16Å; K86-Q89 PolarHBondContact O-N 3.4Å; K86-K90 VanDerWaalsContact O-CA 3.29Å; K86-K90 WeakPolarHBondContact O-CA 3.41Å; K86-K90 PolarHBondContact O-N 3.34Å; K86-E91 HydrophobicContact CB-CB 4.5Å; K86-E91 PolarHBondContact N-O 3.3Å |
| 87 | Y | 86 | Confident | 82.4 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 13% | 0.125 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 139.6 | 174.9 | -175.7 | -89.4 | 0 | 0 | 0 | 111 | L25 V29 F40 P68 | L25-Y87 HydrophobicContact CD1-CG 4.2Å; V29-Y87 HydrophobicContact CB-CE1 4.38Å; V29-Y87 HydrophobicContact CG1-CD1 4.5Å; V29-Y87 HydrophobicContact CG1-CE1 3.97Å; V29-Y87 HydrophobicContact CG2-CE1 3.88Å; F40-Y87 HydrophobicContact CB-CE2 3.96Å; F40-Y87 AromaticContact CD1-CD2 3.7Å; F40-Y87 HydrophobicContact CD1-CD2 3.7Å; F40-Y87 AromaticContact CD1-CE2 3.8Å; F40-Y87 HydrophobicContact CD1-CE2 3.8Å; F40-Y87 HydrophobicContact CD1-CG 4.49Å; F40-Y87 HydrophobicContact CD2-CD2 4.43Å; F40-Y87 HydrophobicContact CD2-CE2 4.16Å; F40-Y87 AromaticContact CE1-CD2 3.9Å; F40-Y87 HydrophobicContact CE1-CD2 3.9Å; F40-Y87 HydrophobicContact CE1-CE2 4.42Å; F40-Y87 AromaticContact CG-CD2 3.99Å; F40-Y87 HydrophobicContact CG-CD2 3.99Å; F40-Y87 AromaticContact CG-CE2 3.67Å; F40-Y87 HydrophobicContact CG-CE2 3.67Å; F40-Y87 HydrophobicContact CZ-CD2 4.38Å; P68-Y87 WeakPolarHBondContact CB-O 3.4Å; P68-Y87 WeakPolarHBondContact CG-O 3.48Å; P68-Y87 PolarHBondContact O-N 3.08Å |
| 88 | P | 79.6 | Confident | 82.5 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89.4 | -5.9 | 2.3 | 34.4 | -35.7 | 0 | 0 | 0 | 115.3 | K90 | P88-K90 PolarHBondContact O-N 2.64Š|
| 89 | Q | 78.2 | Confident | 82.7 | Confident | 111 Ų | 111 | 51 Ų | 51 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.2 | -172.9 | -63.5 | 81.7 | 5.8 | 0 | 0 | 113.9 | K86 E91 | K86-Q89 PolarHBondContact O-N 3.4Å; Q89-E91 HydrophobicContact CB-CG 3.98Å; Q89-E91 PolarHBondContact O-N 3.4Å |
| 90 | K | 76.7 | Confident | 82.6 | Confident | 66 Ų | 66 | 50 Ų | 50 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.2 | -176.2 | -62.8 | 162.4 | -175.4 | 169.7 | 0 | 112.8 | E49 L51 K86 P88 E92 | E49-K90 IonicContact OE2-NZ 3.82Å; E49-K90 PolarHBondContact OE2-NZ 3.17Å; L51-K90 HydrophobicContact CD1-CD 4.27Å; K86-K90 VanDerWaalsContact O-CA 3.29Å; K86-K90 WeakPolarHBondContact O-CA 3.41Å; K86-K90 PolarHBondContact O-N 3.34Å; P88-K90 PolarHBondContact O-N 2.64Å; K90-E92 PolarHBondContact O-N 3.09Å |
| 91 | E | 73.4 | Confident | 82.4 | Confident | 118 Ų | 118 | 53.2 Ų | 53.2 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 126.9 | 172.4 | -70.6 | 173.3 | 178.6 | 0 | 0 | 109.8 | Y85 K86 Q89 | Y85-E91 VanDerWaalsContact CA-O 3.31Å; Y85-E91 WeakPolarHBondContact CA-O 3.29Å; K86-E91 HydrophobicContact CB-CB 4.5Å; K86-E91 PolarHBondContact N-O 3.3Å; Q89-E91 HydrophobicContact CB-CG 3.98Å; Q89-E91 PolarHBondContact O-N 3.4Å |
| 92 | E | 76.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.5 | -173.8 | 58.8 | 172.1 | -166.8 | 0 | 0 | 112.9 | Y85 K90 Q1429 | Y85-E92 HydrophobicContact CD1-CB 4.1Å; Y85-E92 HydrophobicContact CE1-CB 3.71Å; K90-E92 PolarHBondContact O-N 3.09Å; E92-Q1429 PolarHBondContact OE1-NE2 3.49Å |
| 93 | N | 83.6 | Confident | 82.2 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.8 | 165.4 | -81.3 | 1.8 | 0 | 0 | 0 | 108.7 | I84 F130 H131 | I84-N93 HydrophobicContact CB-CB 4.29Å; I84-N93 PolarHBondContact N-O 2.94Å; I84-N93 PolarHBondContact O-N 3.44Å; N93-F130 PolarHBondContact ND2-O 3.15Å; N93-H131 PolarHBondContact ND2-O 3.43Å |
| 94 | I | 84.8 | Confident | 82.1 | Confident | 52 Ų | 52 | 55 Ų | 55 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 108.4 | -175.8 | -53 | 177.8 | 0 | 0 | 0 | 109.5 | K81 V82 Y83 K96 | K81-I94 HydrophobicContact CB-CG2 4.3Å; K81-I94 HydrophobicContact CD-CG2 4.34Å; K81-I94 HydrophobicContact CG-CG2 4.43Å; V82-I94 WeakPolarHBondContact O-CA 3.41Å; Y83-I94 HydrophobicContact CD1-CD1 4.06Å; Y83-I94 HydrophobicContact CD1-CG1 3.83Å; Y83-I94 HydrophobicContact CD1-CG2 4.35Å; Y83-I94 HydrophobicContact CE1-CD1 3.92Å; Y83-I94 HydrophobicContact CE1-CG1 4.15Å; Y83-I94 HydrophobicContact CE1-CG2 4.25Å; I94-K96 HydrophobicContact CG2-CG 3.89Å; I94-K96 PolarHBondContact O-N 2.81Å |
| 95 | L | 84.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.4 | 167.9 | -43.8 | 176.5 | 0 | 0 | 0 | 108.2 | V82 I84 Y114 W128 C133 | V82-L95 HydrophobicContact CB-CB 4.07Å; V82-L95 HydrophobicContact CB-CD1 4.17Å; V82-L95 HydrophobicContact CB-CG 4.33Å; V82-L95 HydrophobicContact CG1-CD1 4.13Å; V82-L95 PolarHBondContact N-O 3.19Å; V82-L95 VanDerWaalsContact N-O 3.11Å; V82-L95 PolarHBondContact O-N 3.48Å; I84-L95 HydrophobicContact CD1-CD1 3.65Å; I84-L95 HydrophobicContact CD1-CG 4.03Å; L95-Y114 HydrophobicContact CD1-CD1 3.76Å; L95-Y114 HydrophobicContact CD1-CE1 4.27Å; L95-Y114 HydrophobicContact CD1-CG 4.49Å; L95-W128 HydrophobicContact CB-CD2 4.47Å; L95-W128 HydrophobicContact CB-CE3 4.15Å; L95-W128 HydrophobicContact CB-CZ3 4.18Å; L95-W128 HydrophobicContact CD1-CB 4.16Å; L95-W128 HydrophobicContact CD1-CD2 4.07Å; L95-W128 HydrophobicContact CD1-CE3 4.33Å; L95-W128 HydrophobicContact CD1-CG 3.98Å; L95-W128 HydrophobicContact CD2-CD2 4.42Å; L95-W128 HydrophobicContact CD2-CE3 3.89Å; L95-W128 HydrophobicContact CD2-CZ3 4.49Å; L95-W128 HydrophobicContact CG-CE3 4.36Å; L95-C133 HydrophobicContact CD2-CB 3.9Å |
| 96 | K | 81.1 | Confident | 82 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | trans | -99.6 | 148.8 | 179.5 | -63.5 | 175.8 | -174.4 | 167.3 | 0 | 109.7 | I94 W128 | I94-K96 HydrophobicContact CG2-CG 3.89Å; I94-K96 PolarHBondContact O-N 2.81Å; K96-W128 WeakPolarHBondContact O-CH2 3.25Å | ||
| 97 | N | 75.3 | Confident | 82.2 | Confident | 112 Ų | 112 | 56.4 Ų | 56.4 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | trans | 63.4 | 40.9 | 175.2 | -50.8 | -21.7 | 0 | 0 | 0 | 113.9 | ||||
| 98 | A | 77.3 | Confident | 82.5 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -71.1 | -34.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V82 I103 T116 W128 | V82-A98 HydrophobicContact CG2-CB 4.39Å; A98-I103 HydrophobicContact CB-CD1 3.87Å; A98-T116 HydrophobicContact CB-CG2 4.39Å; A98-W128 HydrophobicContact CB-CZ2 4.06Å |
| 99 | S | 82.7 | Confident | 83 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | trans | -152.6 | -178.4 | 170.1 | 75.5 | 0 | 0 | 0 | 0 | 110.8 | P80 E102 | P80-S99 WeakPolarHBondContact CD-O 3.37Å; P80-S99 WeakPolarHBondContact CD-OG 3.43Å; P80-S99 WeakPolarHBondContact CG-OG 3.4Å; S99-E102 VanDerWaalsContact CB-O 3.27Å; S99-E102 WeakPolarHBondContact CB-O 3.18Å; S99-E102 PolarHBondContact OG-O 3.43Å | ||
| 100 | K | 78.5 | Confident | 83.3 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -92.8 | -36.9 | 176.8 | -69.6 | 175.7 | -164 | 153.4 | 0 | 114.9 | N79 P121 D122 E1531 | N79-K100 PolarHBondContact N-O 3.15Å; K100-P121 HydrophobicContact CD-CG 4.28Å; K100-D122 VanDerWaalsContact CB-OD2 3.3Å; K100-D122 WeakPolarHBondContact CB-OD2 3.49Å; K100-D122 WeakPolarHBondContact CD-OD1 3.43Å; K100-D122 WeakPolarHBondContact CE-OD1 3.41Å; K100-D122 WeakPolarHBondContact CG-OD2 3.27Å; K100-D122 PolarHBondContact N-OD2 2.63Å; K100-D122 IonicContact NZ-OD1 3.38Å; K100-D122 PolarHBondContact NZ-OD1 3.22Å; K100-E1531 WeakPolarHBondContact CD-OE2 3.31Å; K100-E1531 WeakPolarHBondContact CE-OE1 3.22Å; K100-E1531 VanDerWaalsContact NZ-CD 3.28Å; K100-E1531 IonicContact NZ-OE1 3.51Å; K100-E1531 PolarHBondContact NZ-OE1 3.46Å; K100-E1531 IonicContact NZ-OE2 2.72Å; K100-E1531 PolarHBondContact NZ-OE2 3.13Å |
| 101 | L | 80.5 | Confident | 83.8 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -134.3 | -40.8 | -173.5 | -74.1 | 176.5 | 0 | 0 | 0 | 113.2 | N77 V78 | N77-L101 PolarHBondContact N-O 3.49Å; N77-L101 VanDerWaalsContact N-O 3.13Å; N77-L101 CarbonylContact O-C 3.54Å; N77-L101 WeakPolarHBondContact O-CA 3.44Å; V78-L101 HydrophobicContact CG2-CD2 4.3Å |
| 102 | E | 84.3 | Confident | 84.4 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -140.3 | 138.8 | -172.4 | -172.3 | 177.9 | -161.3 | 0 | 0 | 112.5 | L75 S99 G119 | L75-E102 VanDerWaalsContact O-CA 3.3Å; L75-E102 WeakPolarHBondContact O-CA 3.42Å; L75-E102 WeakPolarHBondContact O-CG 2.92Å; S99-E102 VanDerWaalsContact CB-O 3.27Å; S99-E102 WeakPolarHBondContact CB-O 3.18Å; S99-E102 PolarHBondContact OG-O 3.43Å; E102-G119 PolarHBondContact O-N 3.12Å |
| 103 | I | 86.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115 | 164.3 | -61.2 | 173.4 | 0 | 0 | 0 | 106.3 | L75 P80 V82 A98 | L75-I103 WeakPolarHBondContact CD2-O 3.45Å; L75-I103 PolarHBondContact O-N 3.05Å; P80-I103 HydrophobicContact CB-CD1 3.88Å; P80-I103 HydrophobicContact CB-CG1 4.1Å; P80-I103 HydrophobicContact CG-CD1 3.86Å; P80-I103 HydrophobicContact CG-CG1 3.66Å; V82-I103 HydrophobicContact CG2-CD1 3.74Å; A98-I103 HydrophobicContact CB-CD1 3.87Å |
| 104 | Q | 85.5 | Confident | 85.6 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -49.4 | -178.5 | -75.4 | 178.9 | -7.4 | 0 | 0 | 111.3 | V117 H145 | Q104-V117 PolarHBondContact N-O 2.73Å; Q104-H145 PolarHBondContact NE2-CE1 2.59Å; Q104-H145 PolarHBondContact NE2-ND1 3.33Å |
| 105 | Q | 87.5 | Confident | 85.9 | Confident | 52 Ų | 52 | 38.7 Ų | 38.7 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.9 | -176.9 | -64.3 | -172.2 | 0.5 | 0 | 0 | 110.5 | V117 L146 T147 | Q105-V117 HydrophobicContact CB-CB 4.35Å; Q105-V117 PolarHBondContact N-O 3.2Å; Q105-V117 PolarHBondContact O-N 2.76Å; Q105-L146 PolarHBondContact NE2-O 3.18Å; Q105-T147 PolarHBondContact NE2-O 3.33Å |
| 106 | S | 90.9 | Very high | 86.3 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 129.4 | -179.6 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | S62 T73 Y114 A115 | S62-S106 WeakPolarHBondContact CB-O 3.31Å; S62-S106 PolarHBondContact OG-O 3.04Å; S62-S106 PolarHBondContact OG-OG 2.97Å; T73-S106 WeakPolarHBondContact CG2-OG 3.46Å; S106-Y114 WeakPolarHBondContact CB-OH 3.31Å; S106-Y114 PolarHBondContact OG-OH 3.44Å; S106-Y114 VanDerWaalsContact OG-OH 3.14Å; S106-A115 CarbonylContact C-O 3.6Å; S106-A115 VanDerWaalsContact CA-O 3.24Å; S106-A115 WeakPolarHBondContact CA-O 3.13Å |
| 107 | I | 91.3 | Very high | 86.8 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 23% | 0.226 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 140.2 | -167.3 | -57.3 | -178 | 0 | 0 | 0 | 110.2 | A115 F149 F151 | I107-A115 PolarHBondContact N-O 2.76Å; I107-A115 PolarHBondContact O-N 3.48Å; I107-F149 VanDerWaalsContact CD1-C 3.46Å; I107-F149 HydrophobicContact CD1-CB 4.05Å; I107-F149 HydrophobicContact CD1-CD1 3.63Å; I107-F149 HydrophobicContact CD1-CG 4.23Å; I107-F149 WeakPolarHBondContact CD1-O 3.42Å; I107-F149 HydrophobicContact CG1-CD1 4.13Å; I107-F151 HydrophobicContact CG2-CD2 4.34Å |
| 108 | F | 92.7 | Very high | 87.4 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143 | 170.8 | -77 | -81.5 | 0 | 0 | 0 | 111.1 | S62 H64 S71 I84 Y114 F130 | S62-F108 WeakPolarHBondContact O-CE2 3.4Å; H64-F108 HydrophobicContact CB-CB 4.21Å; H64-F108 HydrophobicContact CB-CD1 3.98Å; H64-F108 HydrophobicContact CB-CD2 4.07Å; H64-F108 HydrophobicContact CB-CE1 4.37Å; H64-F108 HydrophobicContact CB-CE2 4.45Å; H64-F108 HydrophobicContact CB-CG 3.83Å; H64-F108 AromaticContact CD2-CD1 3.71Å; S71-F108 WeakPolarHBondContact OG-CE2 3.41Å; I84-F108 HydrophobicContact CD1-CE1 4.32Å; I84-F108 HydrophobicContact CD1-CZ 4.37Å; I84-F108 HydrophobicContact CG1-CZ 4.34Å; I84-F108 HydrophobicContact CG2-CE1 4.24Å; I84-F108 HydrophobicContact CG2-CZ 4.07Å; F108-Y114 HydrophobicContact CB-CD2 4.4Å; F108-Y114 AromaticContact CD1-CD2 3.48Å; F108-Y114 HydrophobicContact CD1-CD2 3.48Å; F108-Y114 VanDerWaalsContact CD1-CD2 3.48Å; F108-Y114 HydrophobicContact CD1-CE2 4.1Å; F108-Y114 AromaticContact CD2-CD2 3.94Å; F108-Y114 HydrophobicContact CD2-CD2 3.94Å; F108-Y114 AromaticContact CD2-CE2 3.71Å; F108-Y114 HydrophobicContact CD2-CE2 3.71Å; F108-Y114 AromaticContact CE1-CD2 3.56Å; F108-Y114 HydrophobicContact CE1-CD2 3.56Å; F108-Y114 HydrophobicContact CE1-CE2 4Å; F108-Y114 HydrophobicContact CE2-CD2 4.01Å; F108-Y114 AromaticContact CE2-CE2 3.61Å; F108-Y114 HydrophobicContact CE2-CE2 3.61Å; F108-Y114 AromaticContact CG-CD2 3.67Å; F108-Y114 HydrophobicContact CG-CD2 3.67Å; F108-Y114 AromaticContact CG-CE2 3.96Å; F108-Y114 HydrophobicContact CG-CE2 3.96Å; F108-Y114 AromaticContact CZ-CD2 3.84Å; F108-Y114 HydrophobicContact CZ-CD2 3.84Å; F108-Y114 AromaticContact CZ-CE2 3.76Å; F108-Y114 HydrophobicContact CZ-CE2 3.76Å; F108-F130 HydrophobicContact CD1-CD1 4.05Å; F108-F130 AromaticContact CD1-CE1 3.87Å; F108-F130 HydrophobicContact CD1-CE1 3.87Å; F108-F130 HydrophobicContact CD1-CZ 4.38Å; F108-F130 AromaticContact CE1-CD1 4Å; F108-F130 HydrophobicContact CE1-CD1 4Å; F108-F130 HydrophobicContact CE1-CD2 4.42Å; F108-F130 HydrophobicContact CE1-CE1 4.05Å; F108-F130 HydrophobicContact CE1-CE2 4.47Å; F108-F130 HydrophobicContact CE1-CG 4.19Å; F108-F130 HydrophobicContact CE1-CZ 4.3Å |
| 109 | S | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -72.6 | 172 | 158.8 | 74.8 | 0 | 0 | 0 | 0 | 109.9 | H64 T111 Y113 | H64-S109 PolarHBondContact CD2-O 3.06Å; H64-S109 PolarHBondContact NE2-O 3.05Å; S109-T111 PolarHBondContact O-N 3.34Å; S109-T111 VanDerWaalsContact OG-C 3.32Å; S109-T111 PolarHBondContact OG-N 3.4Å; S109-T111 VanDerWaalsContact OG-N 3.1Å; S109-T111 PolarHBondContact OG-O 3.48Å; S109-T111 PolarHBondContact OG-OG1 3.41Å; S109-Y113 PolarHBondContact N-O 3Å; S109-Y113 WeakPolarHBondContact OG-CB 3.43Å; S109-Y113 PolarHBondContact OG-N 3.49Å; S109-Y113 VanDerWaalsContact OG-N 3.12Å; S109-Y113 PolarHBondContact OG-O 3.38Å; S109-Y113 VanDerWaalsContact OG-O 3.13Å | ||
| 110 | H | 84.7 | Confident | 87.5 | Confident | 42 Ų | 42 | 31.2 Ų | 31.2 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76.9 | 9.4 | 169.5 | -69.8 | -108.9 | 0 | 0 | 0 | 112.8 | P65 L66 P153 | P65-H110 VanDerWaalsContact CB-CE1 3.43Å; P65-H110 WeakPolarHBondContact CB-CE1 3.28Å; P65-H110 WeakPolarHBondContact CB-ND1 3.49Å; L66-H110 HydrophobicContact CD1-CB 4.32Å; H110-P153 WeakPolarHBondContact CD2-CA 3.3Å; H110-P153 WeakPolarHBondContact NE2-CB 3.42Å |
| 111 | T | 86.4 | Confident | 87.4 | Confident | 51 Ų | 51 | 30.7 Ų | 30.7 | 31% | 0.313 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -134.7 | -152.1 | -174.7 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | H64 S109 Y113 F130 | H64-T111 PolarHBondContact NE2-O 3.09Å; H64-T111 VanDerWaalsContact NE2-O 3.08Å; S109-T111 PolarHBondContact O-N 3.34Å; S109-T111 VanDerWaalsContact OG-C 3.32Å; S109-T111 PolarHBondContact OG-N 3.4Å; S109-T111 VanDerWaalsContact OG-N 3.1Å; S109-T111 PolarHBondContact OG-O 3.48Å; S109-T111 PolarHBondContact OG-OG1 3.41Å; T111-Y113 PolarHBondContact O-N 3.2Å; T111-Y113 VanDerWaalsContact OG1-CD2 3.32Å; T111-Y113 WeakPolarHBondContact OG1-CD2 3.38Å; T111-F130 WeakPolarHBondContact O-CE1 3.42Å |
| 112 | N | 87.3 | Confident | 87.4 | Confident | 71 Ų | 71 | 28.5 Ų | 28.5 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -83.9 | 13.6 | -172.7 | -60.6 | -18.1 | 0 | 0 | 0 | 114.8 | N129 F130 H131 | N112-N129 WeakPolarHBondContact O-CA 3.48Å; N112-F130 VanDerWaalsContact CA-CE1 3.49Å; N112-F130 WeakPolarHBondContact O-CD1 3.49Å; N112-F130 WeakPolarHBondContact O-CE1 3.48Å; N112-F130 PolarHBondContact O-N 2.95Å; N112-H131 WeakPolarHBondContact CB-ND1 3.33Å; N112-H131 VanDerWaalsContact CG-CE1 3.5Å; N112-H131 PolarHBondContact OD1-CE1 2.96Å |
| 113 | Y | 91.2 | Very high | 87.6 | Confident | 47 Ų | 47 | 27.1 Ų | 27.1 | 18% | 0.184 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.6 | -170.5 | -53.6 | -67.8 | 0 | 0 | 0 | 112.7 | S109 T111 W128 N129 L136 W156 | S109-Y113 PolarHBondContact N-O 3Å; S109-Y113 WeakPolarHBondContact OG-CB 3.43Å; S109-Y113 PolarHBondContact OG-N 3.49Å; S109-Y113 VanDerWaalsContact OG-N 3.12Å; S109-Y113 PolarHBondContact OG-O 3.38Å; S109-Y113 VanDerWaalsContact OG-O 3.13Å; T111-Y113 PolarHBondContact O-N 3.2Å; T111-Y113 VanDerWaalsContact OG1-CD2 3.32Å; T111-Y113 WeakPolarHBondContact OG1-CD2 3.38Å; Y113-W128 CarbonylContact C-O 3.56Å; Y113-W128 WeakPolarHBondContact CA-O 3.49Å; Y113-N129 HydrophobicContact CD1-CB 4.21Å; Y113-N129 HydrophobicContact CE1-CB 4.29Å; Y113-L136 HydrophobicContact CD1-CD1 3.61Å; Y113-L136 HydrophobicContact CD1-CD2 4.16Å; Y113-L136 HydrophobicContact CE1-CD1 3.43Å; Y113-L136 VanDerWaalsContact CE1-CD1 3.43Å; Y113-L136 HydrophobicContact CE1-CD2 3.57Å; Y113-L136 HydrophobicContact CE1-CG 4.15Å; Y113-W156 HydrophobicContact CD1-CZ3 4.41Å; Y113-W156 AromaticContact CD2-CD2 3.38Å; Y113-W156 HydrophobicContact CD2-CD2 3.38Å; Y113-W156 AromaticContact CD2-CE2 3.85Å; Y113-W156 AromaticContact CD2-CE3 3.25Å; Y113-W156 HydrophobicContact CD2-CE3 3.25Å; Y113-W156 AromaticContact CD2-CG 3.95Å; Y113-W156 HydrophobicContact CD2-CG 3.95Å; Y113-W156 HydrophobicContact CD2-CH2 4.03Å; Y113-W156 HydrophobicContact CD2-CZ2 4.17Å; Y113-W156 AromaticContact CD2-CZ3 3.59Å; Y113-W156 HydrophobicContact CD2-CZ3 3.59Å; Y113-W156 HydrophobicContact CE1-CH2 4.26Å; Y113-W156 HydrophobicContact CE1-CZ3 4.35Å; Y113-W156 AromaticContact CE2-CD2 3.35Å; Y113-W156 HydrophobicContact CE2-CD2 3.35Å; Y113-W156 AromaticContact CE2-CE2 3.26Å; Y113-W156 AromaticContact CE2-CE3 3.5Å; Y113-W156 HydrophobicContact CE2-CE3 3.5Å; Y113-W156 VanDerWaalsContact CE2-CE3 3.5Å; Y113-W156 HydrophobicContact CE2-CG 4.08Å; Y113-W156 AromaticContact CE2-CH2 3.46Å; Y113-W156 HydrophobicContact CE2-CH2 3.46Å; Y113-W156 VanDerWaalsContact CE2-CH2 3.46Å; Y113-W156 AromaticContact CE2-CZ2 3.34Å; Y113-W156 HydrophobicContact CE2-CZ2 3.34Å; Y113-W156 AromaticContact CE2-CZ3 3.54Å; Y113-W156 HydrophobicContact CE2-CZ3 3.54Å; Y113-W156 AromaticContact CE2-NE1 3.9Å; Y113-W156 HydrophobicContact CG-CD2 4.47Å; Y113-W156 AromaticContact CG-CE3 3.95Å; Y113-W156 HydrophobicContact CG-CE3 3.95Å; Y113-W156 HydrophobicContact CG-CZ3 4.03Å; Y113-W156 AromaticContact CZ-CH2 3.56Å; Y113-W156 AromaticContact CZ-CZ2 3.67Å; Y113-W156 AromaticContact CZ-CZ3 3.91Å |
| 114 | Y | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 126.9 | -177.9 | -171.4 | -99.4 | 0 | 0 | 0 | 109.7 | S71 T73 V82 I84 L95 S106 F108 T116 I127 W128 | S71-Y114 VanDerWaalsContact CB-OH 3.25Å; S71-Y114 WeakPolarHBondContact CB-OH 3.17Å; S71-Y114 WeakPolarHBondContact OG-CE2 3.47Å; S71-Y114 PolarHBondContact OG-OH 2.97Å; T73-Y114 VanDerWaalsContact CG2-OH 3.27Å; T73-Y114 WeakPolarHBondContact CG2-OH 3.16Å; V82-Y114 HydrophobicContact CG1-CE1 3.71Å; V82-Y114 HydrophobicContact CG2-CE1 4.48Å; I84-Y114 HydrophobicContact CD1-CD1 4.43Å; I84-Y114 HydrophobicContact CD1-CD2 4.37Å; I84-Y114 HydrophobicContact CD1-CG 4.22Å; L95-Y114 HydrophobicContact CD1-CD1 3.76Å; L95-Y114 HydrophobicContact CD1-CE1 4.27Å; L95-Y114 HydrophobicContact CD1-CG 4.49Å; S106-Y114 WeakPolarHBondContact CB-OH 3.31Å; S106-Y114 PolarHBondContact OG-OH 3.44Å; S106-Y114 VanDerWaalsContact OG-OH 3.14Å; F108-Y114 HydrophobicContact CB-CD2 4.4Å; F108-Y114 AromaticContact CD1-CD2 3.48Å; F108-Y114 HydrophobicContact CD1-CD2 3.48Å; F108-Y114 VanDerWaalsContact CD1-CD2 3.48Å; F108-Y114 HydrophobicContact CD1-CE2 4.1Å; F108-Y114 AromaticContact CD2-CD2 3.94Å; F108-Y114 HydrophobicContact CD2-CD2 3.94Å; F108-Y114 AromaticContact CD2-CE2 3.71Å; F108-Y114 HydrophobicContact CD2-CE2 3.71Å; F108-Y114 AromaticContact CE1-CD2 3.56Å; F108-Y114 HydrophobicContact CE1-CD2 3.56Å; F108-Y114 HydrophobicContact CE1-CE2 4Å; F108-Y114 HydrophobicContact CE2-CD2 4.01Å; F108-Y114 AromaticContact CE2-CE2 3.61Å; F108-Y114 HydrophobicContact CE2-CE2 3.61Å; F108-Y114 AromaticContact CG-CD2 3.67Å; F108-Y114 HydrophobicContact CG-CD2 3.67Å; F108-Y114 AromaticContact CG-CE2 3.96Å; F108-Y114 HydrophobicContact CG-CE2 3.96Å; F108-Y114 AromaticContact CZ-CD2 3.84Å; F108-Y114 HydrophobicContact CZ-CD2 3.84Å; F108-Y114 AromaticContact CZ-CE2 3.76Å; F108-Y114 HydrophobicContact CZ-CE2 3.76Å; Y114-T116 HydrophobicContact CD1-CG2 3.8Å; Y114-T116 HydrophobicContact CE1-CG2 3.49Å; Y114-T116 VanDerWaalsContact CE1-CG2 3.49Å; Y114-I127 CarbonylContact O-C 3.53Å; Y114-I127 WeakPolarHBondContact O-CA 3.5Å; Y114-W128 PolarHBondContact N-O 3.14Å; Y114-W128 WeakPolarHBondContact O-CB 3.08Å; Y114-W128 PolarHBondContact O-N 3.28Å |
| 115 | A | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | S106 I107 L125 S126 I127 F149 F151 L159 | S106-A115 CarbonylContact C-O 3.6Å; S106-A115 VanDerWaalsContact CA-O 3.24Å; S106-A115 WeakPolarHBondContact CA-O 3.13Å; I107-A115 PolarHBondContact N-O 2.76Å; I107-A115 PolarHBondContact O-N 3.48Å; A115-L125 HydrophobicContact CB-CD1 4.18Å; A115-S126 CarbonylContact C-O 3.58Å; A115-S126 WeakPolarHBondContact CA-O 3.44Å; A115-I127 HydrophobicContact CB-CG1 4.36Å; A115-F149 HydrophobicContact CB-CE1 3.64Å; A115-F149 HydrophobicContact CB-CZ 3.85Å; A115-F151 HydrophobicContact CB-CE2 3.47Å; A115-F151 VanDerWaalsContact CB-CE2 3.47Å; A115-F151 HydrophobicContact CB-CZ 3.71Å; A115-L159 HydrophobicContact CB-CD2 4.05Å |
| 116 | T | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.4 | 173.6 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | V82 A98 Y114 S126 W128 | V82-T116 HydrophobicContact CG2-CG2 4.22Å; A98-T116 HydrophobicContact CB-CG2 4.39Å; Y114-T116 HydrophobicContact CD1-CG2 3.8Å; Y114-T116 HydrophobicContact CE1-CG2 3.49Å; Y114-T116 VanDerWaalsContact CE1-CG2 3.49Å; T116-S126 PolarHBondContact N-O 3.02Å; T116-S126 PolarHBondContact O-N 3.13Å; T116-S126 PolarHBondContact OG1-O 2.97Å; T116-W128 PolarHBondContact OG1-NE1 3.18Å |
| 117 | V | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.2 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 108 | Q104 Q105 L125 L141 L146 F149 | Q104-V117 PolarHBondContact N-O 2.73Å; Q105-V117 HydrophobicContact CB-CB 4.35Å; Q105-V117 PolarHBondContact N-O 3.2Å; Q105-V117 PolarHBondContact O-N 2.76Å; V117-L125 HydrophobicContact CG2-CD1 4.03Å; V117-L141 HydrophobicContact CG1-CD1 3.64Å; V117-L146 HydrophobicContact CG1-CD1 4.37Å; V117-L146 HydrophobicContact CG2-CD1 4.16Å; V117-F149 HydrophobicContact CG2-CD1 3.91Å; V117-F149 HydrophobicContact CG2-CD2 4.43Å; V117-F149 HydrophobicContact CG2-CE1 3.78Å; V117-F149 HydrophobicContact CG2-CE2 4.31Å; V117-F149 HydrophobicContact CG2-CG 4.25Å; V117-F149 HydrophobicContact CG2-CZ 3.99Å |
| 118 | S | 88.5 | Confident | 88.2 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 144.1 | 177.2 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | F123 I124 | S118-F123 VanDerWaalsContact O-CA 3.3Å; S118-F123 WeakPolarHBondContact O-CA 3.41Å; S118-I124 PolarHBondContact N-O 2.89Å; S118-I124 WeakPolarHBondContact OG-CA 3.32Å; S118-I124 WeakPolarHBondContact OG-CB 3.48Å; S118-I124 PolarHBondContact OG-N 3.48Å; S118-I124 PolarHBondContact OG-O 3.46Å |
| 119 | G | 82.9 | Confident | 88 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -93.8 | -145.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E102 P121 D122 F123 | E102-G119 PolarHBondContact O-N 3.12Å; G119-P121 CarbonylContact O-C 3.6Å; G119-D122 PolarHBondContact O-N 3.36Å; G119-F123 PolarHBondContact O-N 3.38Å; G119-F123 VanDerWaalsContact O-N 3.07Å | ||
| 120 | I | 78.9 | Confident | 87.9 | Confident | 95 Ų | 95 | 23.9 Ų | 23.9 | 49% | 0.487 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 130.5 | 178.2 | -61.1 | 167.1 | 0 | 0 | 0 | 108.9 | F123 | I120-F123 HydrophobicContact CG1-CE1 4.48Å; I120-F123 HydrophobicContact CG1-CE2 4.23Å; I120-F123 HydrophobicContact CG1-CZ 3.68Å |
| 121 | P | 77.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 25.3 Ų | 25.3 | 28% | 0.279 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -102.5 | 3.8 | 4.1 | 39.6 | -31.4 | 0 | 0 | 0 | 114.2 | K100 G119 | K100-P121 HydrophobicContact CD-CG 4.28Å; G119-P121 CarbonylContact O-C 3.6Å |
| 122 | D | 80.6 | Confident | 87.7 | Confident | 23 Ų | 23 | 25.4 Ų | 25.4 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -41.1 | -163.3 | -66 | -38.2 | 0 | 0 | 0 | 113.3 | K100 G119 I124 | K100-D122 VanDerWaalsContact CB-OD2 3.3Å; K100-D122 WeakPolarHBondContact CB-OD2 3.49Å; K100-D122 WeakPolarHBondContact CD-OD1 3.43Å; K100-D122 WeakPolarHBondContact CE-OD1 3.41Å; K100-D122 WeakPolarHBondContact CG-OD2 3.27Å; K100-D122 PolarHBondContact N-OD2 2.63Å; K100-D122 IonicContact NZ-OD1 3.38Å; K100-D122 PolarHBondContact NZ-OD1 3.22Å; G119-D122 PolarHBondContact O-N 3.36Å; D122-I124 VanDerWaalsContact C-N 3.28Å; D122-I124 HydrophobicContact CB-CD1 4.07Å; D122-I124 HydrophobicContact CB-CG1 4.05Å; D122-I124 VanDerWaalsContact O-CG1 3.3Å; D122-I124 WeakPolarHBondContact O-CG1 3.35Å; D122-I124 PolarHBondContact O-N 3.4Å |
| 123 | F | 87.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 24 Ų | 24 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | trans | 49 | 44.3 | -177.4 | -58.2 | -82.4 | 0 | 0 | 0 | 113.9 | S118 G119 I120 N140 L141 H145 | S118-F123 VanDerWaalsContact O-CA 3.3Å; S118-F123 WeakPolarHBondContact O-CA 3.41Å; G119-F123 PolarHBondContact O-N 3.38Å; G119-F123 VanDerWaalsContact O-N 3.07Å; I120-F123 HydrophobicContact CG1-CE1 4.48Å; I120-F123 HydrophobicContact CG1-CE2 4.23Å; I120-F123 HydrophobicContact CG1-CZ 3.68Å; F123-N140 PolarHBondContact O-OD1 3.43Å; F123-N140 VanDerWaalsContact O-OD1 3.14Å; F123-L141 HydrophobicContact CB-CB 4.43Å; F123-L141 WeakPolarHBondContact O-CA 3.41Å; F123-L141 WeakPolarHBondContact O-CB 3.43Å; F123-L141 PolarHBondContact O-N 3.09Å; F123-H145 AromaticContact CE1-CE1 3.8Å; F123-H145 AromaticContact CE1-NE2 3.54Å; F123-H145 AromaticContact CZ-NE2 3.93Å | ||
| 124 | I | 89.3 | Confident | 87.2 | Confident | 47 Ų | 47 | 28.3 Ų | 28.3 | 24% | 0.241 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.7 | -178.5 | -53.9 | 174.2 | 0 | 0 | 0 | 110.2 | S118 D122 K138 T139 | S118-I124 PolarHBondContact N-O 2.89Å; S118-I124 WeakPolarHBondContact OG-CA 3.32Å; S118-I124 WeakPolarHBondContact OG-CB 3.48Å; S118-I124 PolarHBondContact OG-N 3.48Å; S118-I124 PolarHBondContact OG-O 3.46Å; D122-I124 VanDerWaalsContact C-N 3.28Å; D122-I124 HydrophobicContact CB-CD1 4.07Å; D122-I124 HydrophobicContact CB-CG1 4.05Å; D122-I124 VanDerWaalsContact O-CG1 3.3Å; D122-I124 WeakPolarHBondContact O-CG1 3.35Å; D122-I124 PolarHBondContact O-N 3.4Å; I124-K138 HydrophobicContact CG2-CB 4.12Å; I124-K138 HydrophobicContact CG2-CD 4.33Å; I124-K138 HydrophobicContact CG2-CG 4.49Å; I124-T139 WeakPolarHBondContact CA-O 3.46Å; I124-T139 WeakPolarHBondContact CG2-O 3.24Å |
| 125 | L | 91.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.4 | 161.5 | 169.8 | 59.3 | 0 | 0 | 0 | 109 | A115 V117 K138 T139 L141 F149 W170 | A115-L125 HydrophobicContact CB-CD1 4.18Å; V117-L125 HydrophobicContact CG2-CD1 4.03Å; L125-K138 CarbonylContact O-C 3.58Å; L125-K138 VanDerWaalsContact O-CA 3.31Å; L125-K138 WeakPolarHBondContact O-CA 3.3Å; L125-T139 PolarHBondContact N-O 2.67Å; L125-T139 PolarHBondContact O-N 2.6Å; L125-L141 HydrophobicContact CB-CD1 4.29Å; L125-L141 HydrophobicContact CB-CD2 4.05Å; L125-L141 HydrophobicContact CB-CG 4.15Å; L125-F149 HydrophobicContact CD1-CE1 4.21Å; L125-F149 HydrophobicContact CD1-CE2 4.1Å; L125-F149 HydrophobicContact CD1-CZ 3.43Å; L125-F149 VanDerWaalsContact CD1-CZ 3.43Å; L125-F149 HydrophobicContact CD2-CE2 4.35Å; L125-F149 HydrophobicContact CD2-CZ 4.38Å; L125-W170 HydrophobicContact CD2-CD2 3.92Å; L125-W170 HydrophobicContact CD2-CE3 4.34Å; L125-W170 HydrophobicContact CD2-CG 4.04Å |
| 126 | S | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.6 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | A115 T116 | A115-S126 CarbonylContact C-O 3.58Å; A115-S126 WeakPolarHBondContact CA-O 3.44Å; T116-S126 PolarHBondContact N-O 3.02Å; T116-S126 PolarHBondContact O-N 3.13Å; T116-S126 PolarHBondContact OG1-O 2.97Å |
| 127 | I | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.2 | 174.5 | -63 | 157.5 | 0 | 0 | 0 | 108.3 | Y114 A115 I135 L136 C137 L159 I172 I181 | Y114-I127 CarbonylContact O-C 3.53Å; Y114-I127 WeakPolarHBondContact O-CA 3.5Å; A115-I127 HydrophobicContact CB-CG1 4.36Å; I127-I135 CarbonylContact O-C 3.57Å; I127-L136 HydrophobicContact CG2-CB 4.38Å; I127-L136 PolarHBondContact O-N 3.05Å; I127-C137 PolarHBondContact N-O 3.05Å; I127-C137 PolarHBondContact O-N 3.38Å; I127-L159 HydrophobicContact CD1-CD1 4.16Å; I127-I172 HydrophobicContact CD1-CD1 3.41Å; I127-I172 VanDerWaalsContact CD1-CD1 3.41Å; I127-I172 HydrophobicContact CD1-CG1 3.81Å; I127-I181 HydrophobicContact CD1-CD1 3.86Å; I127-I181 HydrophobicContact CD1-CG1 4.17Å |
| 128 | W | 90.6 | Very high | 86 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 146.9 | -174.2 | -56.9 | 76.7 | 0 | 0 | 0 | 109.6 | L95 K96 A98 Y113 Y114 T116 E134 I135 | L95-W128 HydrophobicContact CB-CD2 4.47Å; L95-W128 HydrophobicContact CB-CE3 4.15Å; L95-W128 HydrophobicContact CB-CZ3 4.18Å; L95-W128 HydrophobicContact CD1-CB 4.16Å; L95-W128 HydrophobicContact CD1-CD2 4.07Å; L95-W128 HydrophobicContact CD1-CE3 4.33Å; L95-W128 HydrophobicContact CD1-CG 3.98Å; L95-W128 HydrophobicContact CD2-CD2 4.42Å; L95-W128 HydrophobicContact CD2-CE3 3.89Å; L95-W128 HydrophobicContact CD2-CZ3 4.49Å; L95-W128 HydrophobicContact CG-CE3 4.36Å; K96-W128 WeakPolarHBondContact O-CH2 3.25Å; A98-W128 HydrophobicContact CB-CZ2 4.06Å; Y113-W128 CarbonylContact C-O 3.56Å; Y113-W128 WeakPolarHBondContact CA-O 3.49Å; Y114-W128 PolarHBondContact N-O 3.14Å; Y114-W128 WeakPolarHBondContact O-CB 3.08Å; Y114-W128 PolarHBondContact O-N 3.28Å; T116-W128 PolarHBondContact OG1-NE1 3.18Å; W128-E134 CarbonylContact C-O 3.59Å; W128-E134 VanDerWaalsContact CA-O 3.29Å; W128-E134 WeakPolarHBondContact CA-O 3.37Å; W128-I135 HydrophobicContact CD2-CG1 3.74Å; W128-I135 HydrophobicContact CE3-CB 4.43Å; W128-I135 HydrophobicContact CE3-CD1 4.27Å; W128-I135 HydrophobicContact CE3-CG1 3.37Å; W128-I135 HydrophobicContact CH2-CD1 3.29Å; W128-I135 HydrophobicContact CH2-CG1 3.36Å; W128-I135 HydrophobicContact CZ2-CD1 3.63Å; W128-I135 HydrophobicContact CZ2-CG1 3.69Å; W128-I135 HydrophobicContact CZ3-CD1 3.66Å; W128-I135 HydrophobicContact CZ3-CG1 3.2Å |
| 129 | N | 88.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 109.6 | 156.4 | 172 | -31.4 | 0 | 0 | 0 | 107.2 | N112 Y113 H131 S132 C133 E134 L136 | N112-N129 WeakPolarHBondContact O-CA 3.48Å; Y113-N129 HydrophobicContact CD1-CB 4.21Å; Y113-N129 HydrophobicContact CE1-CB 4.29Å; N129-H131 VanDerWaalsContact C-N 3.31Å; N129-H131 PolarHBondContact O-N 3.25Å; N129-H131 PolarHBondContact OD1-N 3.32Å; N129-H131 VanDerWaalsContact OD1-N 3.11Å; N129-S132 VanDerWaalsContact CB-OG 3.29Å; N129-S132 WeakPolarHBondContact CB-OG 3.36Å; N129-S132 PolarHBondContact O-N 2.97Å; N129-S132 PolarHBondContact O-OG 2.9Å; N129-S132 PolarHBondContact OD1-N 3.39Å; N129-S132 VanDerWaalsContact OD1-N 3.08Å; N129-S132 PolarHBondContact OD1-OG 2.89Å; N129-C133 WeakPolarHBondContact O-CA 3.32Å; N129-C133 PolarHBondContact O-N 3.27Å; N129-E134 PolarHBondContact N-O 3.36Å; N129-E134 PolarHBondContact O-N 3.5Å; N129-L136 HydrophobicContact CB-CD1 3.48Å; N129-L136 VanDerWaalsContact CB-CD1 3.48Å |
| 130 | F | 89 | Confident | 86 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.9 | -170.6 | 65.7 | -98.6 | 0 | 0 | 0 | 114.2 | Y69 I84 N93 F108 T111 N112 | Y69-F130 HydrophobicContact CD1-CE2 4.03Å; Y69-F130 HydrophobicContact CD2-CE2 4.07Å; Y69-F130 HydrophobicContact CD2-CZ 4.33Å; Y69-F130 HydrophobicContact CE1-CE2 4.22Å; Y69-F130 HydrophobicContact CE2-CE2 4.3Å; Y69-F130 AromaticContact CG-CE2 3.95Å; Y69-F130 HydrophobicContact CG-CE2 3.95Å; Y69-F130 HydrophobicContact CG-CZ 4.49Å; I84-F130 HydrophobicContact CD1-CB 3.38Å; I84-F130 HydrophobicContact CD1-CG 4.21Å; I84-F130 HydrophobicContact CG2-CD2 4.05Å; N93-F130 PolarHBondContact ND2-O 3.15Å; F108-F130 HydrophobicContact CD1-CD1 4.05Å; F108-F130 AromaticContact CD1-CE1 3.87Å; F108-F130 HydrophobicContact CD1-CE1 3.87Å; F108-F130 HydrophobicContact CD1-CZ 4.38Å; F108-F130 AromaticContact CE1-CD1 4Å; F108-F130 HydrophobicContact CE1-CD1 4Å; F108-F130 HydrophobicContact CE1-CD2 4.42Å; F108-F130 HydrophobicContact CE1-CE1 4.05Å; F108-F130 HydrophobicContact CE1-CE2 4.47Å; F108-F130 HydrophobicContact CE1-CG 4.19Å; F108-F130 HydrophobicContact CE1-CZ 4.3Å; T111-F130 WeakPolarHBondContact O-CE1 3.42Å; N112-F130 VanDerWaalsContact CA-CE1 3.49Å; N112-F130 WeakPolarHBondContact O-CD1 3.49Å; N112-F130 WeakPolarHBondContact O-CE1 3.48Å; N112-F130 PolarHBondContact O-N 2.95Å |
| 131 | H | 84.5 | Confident | 86.3 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 33% | 0.333 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -44.7 | 172.7 | -62 | 87 | 0 | 0 | 0 | 111.3 | Y69 N93 N112 N129 | Y69-H131 AromaticContact CZ-NE2 3.87Å; N93-H131 PolarHBondContact ND2-O 3.43Å; N112-H131 WeakPolarHBondContact CB-ND1 3.33Å; N112-H131 VanDerWaalsContact CG-CE1 3.5Å; N112-H131 PolarHBondContact OD1-CE1 2.96Å; N129-H131 VanDerWaalsContact C-N 3.31Å; N129-H131 PolarHBondContact O-N 3.25Å; N129-H131 PolarHBondContact OD1-N 3.32Å; N129-H131 VanDerWaalsContact OD1-N 3.11Å |
| 132 | S | 82.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.5 | 177.8 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | N129 E134 | N129-S132 VanDerWaalsContact CB-OG 3.29Å; N129-S132 WeakPolarHBondContact CB-OG 3.36Å; N129-S132 PolarHBondContact O-N 2.97Å; N129-S132 PolarHBondContact O-OG 2.9Å; N129-S132 PolarHBondContact OD1-N 3.39Å; N129-S132 VanDerWaalsContact OD1-N 3.08Å; N129-S132 PolarHBondContact OD1-OG 2.89Å; S132-E134 PolarHBondContact O-N 3.32Å; S132-E134 PolarHBondContact OG-N 3.21Å |
| 133 | C | 84.3 | Confident | 86.1 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 28% | 0.284 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19 | -168.3 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | L95 N129 | L95-C133 HydrophobicContact CD2-CB 3.9Å; N129-C133 WeakPolarHBondContact O-CA 3.32Å; N129-C133 PolarHBondContact O-N 3.27Å |
| 134 | E | 84.3 | Confident | 85.7 | Confident | 137 Ų | 137 | 46.7 Ų | 46.7 | 64% | 0.64 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 151.1 | 178.2 | -64.8 | -175.1 | 165.6 | 0 | 0 | 111.8 | W128 N129 S132 | W128-E134 CarbonylContact C-O 3.59Å; W128-E134 VanDerWaalsContact CA-O 3.29Å; W128-E134 WeakPolarHBondContact CA-O 3.37Å; N129-E134 PolarHBondContact N-O 3.36Å; N129-E134 PolarHBondContact O-N 3.5Å; S132-E134 PolarHBondContact O-N 3.32Å; S132-E134 PolarHBondContact OG-N 3.21Å |
| 135 | I | 85.8 | Confident | 85.4 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.8 | 176.4 | -55.6 | 174.6 | 0 | 0 | 0 | 107.8 | I127 W128 K138 | I127-I135 CarbonylContact O-C 3.57Å; W128-I135 HydrophobicContact CD2-CG1 3.74Å; W128-I135 HydrophobicContact CE3-CB 4.43Å; W128-I135 HydrophobicContact CE3-CD1 4.27Å; W128-I135 HydrophobicContact CE3-CG1 3.37Å; W128-I135 HydrophobicContact CH2-CD1 3.29Å; W128-I135 HydrophobicContact CH2-CG1 3.36Å; W128-I135 HydrophobicContact CZ2-CD1 3.63Å; W128-I135 HydrophobicContact CZ2-CG1 3.69Å; W128-I135 HydrophobicContact CZ3-CD1 3.66Å; W128-I135 HydrophobicContact CZ3-CG1 3.2Å; I135-K138 HydrophobicContact CG2-CD 4.39Å; I135-K138 HydrophobicContact CG2-CG 3.74Å |
| 136 | L | 84.3 | Confident | 85.2 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -47.4 | 173.9 | -100.4 | 92.5 | 0 | 0 | 0 | 112.1 | Y113 I127 N129 W156 N179 | Y113-L136 HydrophobicContact CD1-CD1 3.61Å; Y113-L136 HydrophobicContact CD1-CD2 4.16Å; Y113-L136 HydrophobicContact CE1-CD1 3.43Å; Y113-L136 VanDerWaalsContact CE1-CD1 3.43Å; Y113-L136 HydrophobicContact CE1-CD2 3.57Å; Y113-L136 HydrophobicContact CE1-CG 4.15Å; I127-L136 HydrophobicContact CG2-CB 4.38Å; I127-L136 PolarHBondContact O-N 3.05Å; N129-L136 HydrophobicContact CB-CD1 3.48Å; N129-L136 VanDerWaalsContact CB-CD1 3.48Å; L136-W156 HydrophobicContact CD2-CH2 4.25Å; L136-N179 WeakPolarHBondContact CD2-ND2 3.37Å; L136-N179 WeakPolarHBondContact CG-ND2 3.4Å; L136-N179 PolarHBondContact O-ND2 2.88Å |
| 137 | C | 85.5 | Confident | 85 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 154.2 | -173.5 | 43 | 0 | 0 | 0 | 0 | 111.3 | I127 N179 I181 | I127-C137 PolarHBondContact N-O 3.05Å; I127-C137 PolarHBondContact O-N 3.38Å; C137-N179 HydrophobicContact CB-CB 4.19Å; C137-I181 HydrophobicContact CB-CD1 3.46Å; C137-I181 VanDerWaalsContact CB-CD1 3.46Å; C137-I181 HydrophobicContact CB-CG1 3.71Å; C137-I181 WeakPolarHBondContact SG-CD1 3.47Å; C137-I181 WeakPolarHBondContact SG-CG1 3Å |
| 138 | K | 86.6 | Confident | 84.9 | Confident | 108 Ų | 108 | 51.5 Ų | 51.5 | 47% | 0.47 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138 | 177.3 | -63.4 | -168.2 | 175.3 | -169.8 | 0 | 110.3 | I124 L125 I135 | I124-K138 HydrophobicContact CG2-CB 4.12Å; I124-K138 HydrophobicContact CG2-CD 4.33Å; I124-K138 HydrophobicContact CG2-CG 4.49Å; L125-K138 CarbonylContact O-C 3.58Å; L125-K138 VanDerWaalsContact O-CA 3.31Å; L125-K138 WeakPolarHBondContact O-CA 3.3Å; I135-K138 HydrophobicContact CG2-CD 4.39Å; I135-K138 HydrophobicContact CG2-CG 3.74Å |
| 139 | T | 87.2 | Confident | 85 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 20% | 0.202 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.9 | 170.5 | 40.3 | 0 | 0 | 0 | 0 | 110.3 | I124 L125 I181 | I124-T139 WeakPolarHBondContact CA-O 3.46Å; I124-T139 WeakPolarHBondContact CG2-O 3.24Å; L125-T139 PolarHBondContact N-O 2.67Å; L125-T139 PolarHBondContact O-N 2.6Å; T139-I181 HydrophobicContact CG2-CB 3.6Å; T139-I181 HydrophobicContact CG2-CD1 3.69Å; T139-I181 HydrophobicContact CG2-CG1 4.27Å; T139-I181 HydrophobicContact CG2-CG2 3.84Å |
| 140 | N | 84.9 | Confident | 85.1 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134 | 171.5 | -166.4 | -9.7 | 0 | 0 | 0 | 108.7 | F123 N142 | F123-N140 PolarHBondContact O-OD1 3.43Å; F123-N140 VanDerWaalsContact O-OD1 3.14Å; N140-N142 VanDerWaalsContact CG-OD1 3.31Å; N140-N142 PolarHBondContact ND2-OD1 2.73Å; N140-N142 PolarHBondContact OD1-N 3.48Å |
| 141 | L | 84.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -91.3 | 1.3 | 174.3 | -59.5 | 173.2 | 0 | 0 | 0 | 111.8 | V117 F123 L125 G143 L144 L146 W170 | V117-L141 HydrophobicContact CG1-CD1 3.64Å; F123-L141 HydrophobicContact CB-CB 4.43Å; F123-L141 WeakPolarHBondContact O-CA 3.41Å; F123-L141 WeakPolarHBondContact O-CB 3.43Å; F123-L141 PolarHBondContact O-N 3.09Å; L125-L141 HydrophobicContact CB-CD1 4.29Å; L125-L141 HydrophobicContact CB-CD2 4.05Å; L125-L141 HydrophobicContact CB-CG 4.15Å; L141-G143 PolarHBondContact O-N 3.2Å; L141-L144 HydrophobicContact CB-CB 4.26Å; L141-L144 VanDerWaalsContact O-CB 3.28Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 VanDerWaalsContact O-CD1 3.26Å; L141-L144 WeakPolarHBondContact O-CD1 3.47Å; L141-L144 WeakPolarHBondContact O-CG 3.12Å; L141-L144 PolarHBondContact O-N 3.44Å; L141-L146 HydrophobicContact CD1-CD1 4.23Å; L141-W170 HydrophobicContact CD2-CH2 4.32Å; L141-W170 HydrophobicContact CD2-CZ2 3.58Å | ||
| 142 | N | 78.7 | Confident | 85.4 | Confident | 137 Ų | 137 | 47.8 Ų | 47.8 | 73% | 0.733 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 31.4 | 173.4 | -63.9 | -20.8 | 0 | 0 | 0 | 115.1 | N140 | N140-N142 VanDerWaalsContact CG-OD1 3.31Å; N140-N142 PolarHBondContact ND2-OD1 2.73Å; N140-N142 PolarHBondContact OD1-N 3.48Å |
| 143 | G | 76.9 | Confident | 85.5 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 0.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L141 H145 | L141-G143 PolarHBondContact O-N 3.2Å; G143-H145 PolarHBondContact O-N 2.91Å |
| 144 | L | 79.6 | Confident | 85.5 | Confident | 56 Ų | 56 | 49 Ų | 49 | 29% | 0.293 | 27% | 0.266 | S | S | . | . | trans | -64.3 | 129.7 | 176.8 | -61.8 | 164.6 | 0 | 0 | 0 | 111.1 | L141 D163 | L141-L144 HydrophobicContact CB-CB 4.26Å; L141-L144 VanDerWaalsContact O-CB 3.28Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 VanDerWaalsContact O-CD1 3.26Å; L141-L144 WeakPolarHBondContact O-CD1 3.47Å; L141-L144 WeakPolarHBondContact O-CG 3.12Å; L141-L144 PolarHBondContact O-N 3.44Å; L144-D163 WeakPolarHBondContact CD2-OD2 3.41Å | ||
| 145 | H | 81.7 | Confident | 85.6 | Confident | 93 Ų | 93 | 44 Ų | 44 | 43% | 0.431 | 24% | 0.244 | S | C | . | . | trans | -100.6 | 103.2 | 173 | -81.3 | -85.8 | 0 | 0 | 0 | 109.5 | Q104 F123 G143 T147 | Q104-H145 PolarHBondContact NE2-CE1 2.59Å; Q104-H145 PolarHBondContact NE2-ND1 3.33Å; F123-H145 AromaticContact CE1-CE1 3.8Å; F123-H145 AromaticContact CE1-NE2 3.54Å; F123-H145 AromaticContact CZ-NE2 3.93Å; G143-H145 PolarHBondContact O-N 2.91Å; H145-T147 PolarHBondContact O-N 3.34Å | ||
| 146 | L | 87.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -73.6 | 125.1 | -179.1 | -57.4 | 178 | 0 | 0 | 0 | 111.1 | Q105 V117 L141 F149 T162 W170 | Q105-L146 PolarHBondContact NE2-O 3.18Å; V117-L146 HydrophobicContact CG1-CD1 4.37Å; V117-L146 HydrophobicContact CG2-CD1 4.16Å; L141-L146 HydrophobicContact CD1-CD1 4.23Å; L146-F149 HydrophobicContact CD1-CD2 3.84Å; L146-F149 HydrophobicContact CD1-CE2 4.39Å; L146-F149 HydrophobicContact CD1-CG 4.38Å; L146-T162 CarbonylContact C-O 3.47Å; L146-T162 WeakPolarHBondContact CA-O 3.47Å; L146-W170 HydrophobicContact CD1-CH2 3.71Å; L146-W170 HydrophobicContact CD1-CZ3 4.25Å; L146-W170 HydrophobicContact CD2-CH2 3.82Å; L146-W170 HydrophobicContact CG-CH2 4.43Å | ||
| 147 | T | 87.7 | Confident | 85.9 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -78.1 | -45.1 | 173.5 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | Q105 H145 T162 H164 C251 | Q105-T147 PolarHBondContact NE2-O 3.33Å; H145-T147 PolarHBondContact O-N 3.34Å; T147-T162 PolarHBondContact N-O 3.16Å; T147-T162 PolarHBondContact OG1-O 3.36Å; T147-T162 PolarHBondContact OG1-OG1 3.47Å; T147-H164 VanDerWaalsContact CG2-CE1 3.48Å; T147-H164 WeakPolarHBondContact CG2-CE1 3.44Å; T147-C251 VanDerWaalsContact CB-O 3.23Å; T147-C251 WeakPolarHBondContact CB-O 3.4Å; T147-C251 PolarHBondContact OG1-O 3.04Å; T147-C251 VanDerWaalsContact OG1-O 3.05Å |
| 148 | T | 88.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 150.2 | 172.9 | 74.1 | 0 | 0 | 0 | 0 | 111 | G161 T162 Q254 | T148-G161 CarbonylContact O-C 3.57Å; T148-G161 WeakPolarHBondContact O-CA 3.5Å; T148-T162 PolarHBondContact N-O 3Å; T148-T162 PolarHBondContact O-N 3.37Å; T148-T162 PolarHBondContact OG1-N 2.87Å; T148-T162 PolarHBondContact OG1-OG1 3.39Å; T148-Q254 PolarHBondContact OG1-NE2 3.36Å; T148-Q254 PolarHBondContact OG1-OE1 3.05Å |
| 149 | F | 92.8 | Very high | 86.4 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 139.7 | 175.4 | -173.9 | -120.4 | 0 | 0 | 0 | 109.7 | I107 A115 V117 L125 L146 L159 L160 W170 Q254 | I107-F149 VanDerWaalsContact CD1-C 3.46Å; I107-F149 HydrophobicContact CD1-CB 4.05Å; I107-F149 HydrophobicContact CD1-CD1 3.63Å; I107-F149 HydrophobicContact CD1-CG 4.23Å; I107-F149 WeakPolarHBondContact CD1-O 3.42Å; I107-F149 HydrophobicContact CG1-CD1 4.13Å; A115-F149 HydrophobicContact CB-CE1 3.64Å; A115-F149 HydrophobicContact CB-CZ 3.85Å; V117-F149 HydrophobicContact CG2-CD1 3.91Å; V117-F149 HydrophobicContact CG2-CD2 4.43Å; V117-F149 HydrophobicContact CG2-CE1 3.78Å; V117-F149 HydrophobicContact CG2-CE2 4.31Å; V117-F149 HydrophobicContact CG2-CG 4.25Å; V117-F149 HydrophobicContact CG2-CZ 3.99Å; L125-F149 HydrophobicContact CD1-CE1 4.21Å; L125-F149 HydrophobicContact CD1-CE2 4.1Å; L125-F149 HydrophobicContact CD1-CZ 3.43Å; L125-F149 VanDerWaalsContact CD1-CZ 3.43Å; L125-F149 HydrophobicContact CD2-CE2 4.35Å; L125-F149 HydrophobicContact CD2-CZ 4.38Å; L146-F149 HydrophobicContact CD1-CD2 3.84Å; L146-F149 HydrophobicContact CD1-CE2 4.39Å; L146-F149 HydrophobicContact CD1-CG 4.38Å; F149-L159 HydrophobicContact CE1-CD2 4.11Å; F149-L159 HydrophobicContact CE2-CB 4.3Å; F149-L159 HydrophobicContact CE2-CD2 3.71Å; F149-L159 HydrophobicContact CZ-CD2 3.25Å; F149-L160 CarbonylContact C-O 3.51Å; F149-L160 WeakPolarHBondContact CA-O 3.48Å; F149-W170 AromaticContact CD2-CZ3 3.96Å; F149-W170 HydrophobicContact CD2-CZ3 3.96Å; F149-W170 HydrophobicContact CE2-CE3 4.08Å; F149-W170 AromaticContact CE2-CZ3 3.81Å; F149-W170 HydrophobicContact CE2-CZ3 3.81Å; F149-Q254 VanDerWaalsContact N-NE2 3.16Å; F149-Q254 PolarHBondContact O-NE2 2.74Å |
| 150 | S | 91 | Very high | 86.7 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 152.8 | 178.1 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | L159 L160 Q254 W256 | S150-L159 WeakPolarHBondContact O-CA 3.34Å; S150-L160 PolarHBondContact N-O 2.83Å; S150-L160 PolarHBondContact O-N 2.98Å; S150-Q254 VanDerWaalsContact OG-CD 3.31Å; S150-Q254 PolarHBondContact OG-NE2 3.17Å; S150-W256 PolarHBondContact OG-NE1 3.31Å |
| 151 | F | 91.8 | Very high | 87 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 147.3 | 167.3 | -82.5 | -83.6 | 0 | 0 | 0 | 111.1 | I107 A115 P153 W156 L159 I172 W256 | I107-F151 HydrophobicContact CG2-CD2 4.34Å; A115-F151 HydrophobicContact CB-CE2 3.47Å; A115-F151 VanDerWaalsContact CB-CE2 3.47Å; A115-F151 HydrophobicContact CB-CZ 3.71Å; F151-P153 WeakPolarHBondContact O-CD 3.46Å; F151-W156 WeakPolarHBondContact CD1-O 3.49Å; F151-W156 WeakPolarHBondContact CE1-O 3.42Å; F151-L159 HydrophobicContact CD1-CD1 3.9Å; F151-L159 HydrophobicContact CD1-CD2 3.92Å; F151-L159 HydrophobicContact CD1-CG 3.58Å; F151-L159 HydrophobicContact CD2-CD2 4.21Å; F151-L159 HydrophobicContact CE1-CD1 3.59Å; F151-L159 HydrophobicContact CE1-CD2 3.68Å; F151-L159 HydrophobicContact CE1-CG 3.63Å; F151-L159 HydrophobicContact CE2-CD2 3.98Å; F151-L159 HydrophobicContact CG-CD2 4.19Å; F151-L159 HydrophobicContact CG-CG 4.12Å; F151-L159 HydrophobicContact CZ-CD1 4.32Å; F151-L159 HydrophobicContact CZ-CD2 3.71Å; F151-L159 HydrophobicContact CZ-CG 4.21Å; F151-I172 HydrophobicContact CE1-CD1 4.46Å; F151-W256 PolarHBondContact O-NE1 3.49Å |
| 152 | C | 88.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | trans | -66.2 | 124.4 | 165.2 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | T154 D155 Y158 W256 | C152-T154 VanDerWaalsContact C-N 3.33Å; C152-T154 PolarHBondContact O-N 3.06Å; C152-T154 PolarHBondContact SG-OG1 3.49Å; C152-D155 VanDerWaalsContact CB-O 3.27Å; C152-D155 WeakPolarHBondContact CB-O 3.45Å; C152-D155 CarbonylContact O-C 3.57Å; C152-D155 PolarHBondContact O-N 3.47Å; C152-Y158 WeakPolarHBondContact CB-O 3.47Å; C152-Y158 PolarHBondContact N-O 3.23Å; C152-W256 HydrophobicContact CB-CD2 4.11Å; C152-W256 HydrophobicContact CB-CE3 3.77Å; C152-W256 HydrophobicContact CB-CH2 3.6Å; C152-W256 HydrophobicContact CB-CZ2 3.91Å; C152-W256 HydrophobicContact CB-CZ3 3.5Å | ||
| 153 | P | 85.1 | Confident | 87.7 | Confident | 44 Ų | 44 | 27 Ų | 27 | 29% | 0.286 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -64.6 | -32.4 | -176.8 | -27.6 | 36 | 0 | 0 | 0 | 115.6 | H110 F151 W256 | H110-P153 WeakPolarHBondContact CD2-CA 3.3Å; H110-P153 WeakPolarHBondContact NE2-CB 3.42Å; F151-P153 WeakPolarHBondContact O-CD 3.46Å; P153-W256 HydrophobicContact CG-CB 3.65Å; P153-W256 HydrophobicContact CG-CG 4.05Å |
| 154 | T | 84.1 | Confident | 87.9 | Confident | 77 Ų | 77 | 30.8 Ų | 30.8 | 47% | 0.472 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -90.4 | -19.1 | -177.5 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | C152 K260 | C152-T154 VanDerWaalsContact C-N 3.33Å; C152-T154 PolarHBondContact O-N 3.06Å; C152-T154 PolarHBondContact SG-OG1 3.49Å; T154-K260 WeakPolarHBondContact OG1-CG 3.41Å |
| 155 | D | 86.7 | Confident | 87.9 | Confident | 31 Ų | 31 | 30.5 Ų | 30.5 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | trans | -150.4 | 92.9 | -173.4 | -165.8 | -8.6 | 0 | 0 | 0 | 110.6 | C152 H157 Y158 K260 | C152-D155 VanDerWaalsContact CB-O 3.27Å; C152-D155 WeakPolarHBondContact CB-O 3.45Å; C152-D155 CarbonylContact O-C 3.57Å; C152-D155 PolarHBondContact O-N 3.47Å; D155-H157 PolarHBondContact O-N 3.08Å; D155-H157 IonicContact OD1-CE1 3.38Å; D155-H157 IonicContact OD1-CG 3.64Å; D155-H157 PolarHBondContact OD1-N 2.9Å; D155-H157 IonicContact OD1-ND1 2.6Å; D155-H157 PolarHBondContact OD1-ND1 3.17Å; D155-Y158 HydrophobicContact CB-CD2 4.09Å; D155-Y158 PolarHBondContact O-N 3.27Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.42Å; D155-K260 IonicContact OD2-NZ 3.69Å; D155-K260 PolarHBondContact OD2-NZ 3.14Å | ||
| 156 | W | 87.1 | Confident | 88.1 | Confident | 35 Ų | 35 | 26.5 Ų | 26.5 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.3 | -175 | 72.9 | -87.6 | 0 | 0 | 0 | 113.9 | Y113 L136 F151 Y158 I172 T174 | Y113-W156 HydrophobicContact CD1-CZ3 4.41Å; Y113-W156 AromaticContact CD2-CD2 3.38Å; Y113-W156 HydrophobicContact CD2-CD2 3.38Å; Y113-W156 AromaticContact CD2-CE2 3.85Å; Y113-W156 AromaticContact CD2-CE3 3.25Å; Y113-W156 HydrophobicContact CD2-CE3 3.25Å; Y113-W156 AromaticContact CD2-CG 3.95Å; Y113-W156 HydrophobicContact CD2-CG 3.95Å; Y113-W156 HydrophobicContact CD2-CH2 4.03Å; Y113-W156 HydrophobicContact CD2-CZ2 4.17Å; Y113-W156 AromaticContact CD2-CZ3 3.59Å; Y113-W156 HydrophobicContact CD2-CZ3 3.59Å; Y113-W156 HydrophobicContact CE1-CH2 4.26Å; Y113-W156 HydrophobicContact CE1-CZ3 4.35Å; Y113-W156 AromaticContact CE2-CD2 3.35Å; Y113-W156 HydrophobicContact CE2-CD2 3.35Å; Y113-W156 AromaticContact CE2-CE2 3.26Å; Y113-W156 AromaticContact CE2-CE3 3.5Å; Y113-W156 HydrophobicContact CE2-CE3 3.5Å; Y113-W156 VanDerWaalsContact CE2-CE3 3.5Å; Y113-W156 HydrophobicContact CE2-CG 4.08Å; Y113-W156 AromaticContact CE2-CH2 3.46Å; Y113-W156 HydrophobicContact CE2-CH2 3.46Å; Y113-W156 VanDerWaalsContact CE2-CH2 3.46Å; Y113-W156 AromaticContact CE2-CZ2 3.34Å; Y113-W156 HydrophobicContact CE2-CZ2 3.34Å; Y113-W156 AromaticContact CE2-CZ3 3.54Å; Y113-W156 HydrophobicContact CE2-CZ3 3.54Å; Y113-W156 AromaticContact CE2-NE1 3.9Å; Y113-W156 HydrophobicContact CG-CD2 4.47Å; Y113-W156 AromaticContact CG-CE3 3.95Å; Y113-W156 HydrophobicContact CG-CE3 3.95Å; Y113-W156 HydrophobicContact CG-CZ3 4.03Å; Y113-W156 AromaticContact CZ-CH2 3.56Å; Y113-W156 AromaticContact CZ-CZ2 3.67Å; Y113-W156 AromaticContact CZ-CZ3 3.91Å; L136-W156 HydrophobicContact CD2-CH2 4.25Å; F151-W156 WeakPolarHBondContact CD1-O 3.49Å; F151-W156 WeakPolarHBondContact CE1-O 3.42Å; W156-Y158 PolarHBondContact O-N 2.81Å; W156-I172 HydrophobicContact CE3-CD1 3.83Å; W156-I172 HydrophobicContact CH2-CG2 4.29Å; W156-I172 HydrophobicContact CZ3-CB 4.43Å; W156-I172 HydrophobicContact CZ3-CD1 3.63Å; W156-I172 HydrophobicContact CZ3-CG2 4.09Å; W156-T174 HydrophobicContact CH2-CG2 3.64Å; W156-T174 HydrophobicContact CZ2-CG2 4.13Å |
| 157 | H | 89.2 | Confident | 88.1 | Confident | 50 Ų | 50 | 26 Ų | 26 | 23% | 0.231 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.6 | 175.3 | -57.4 | 97.9 | 0 | 0 | 0 | 112.7 | D155 Q171 I172 | D155-H157 PolarHBondContact O-N 3.08Å; D155-H157 IonicContact OD1-CE1 3.38Å; D155-H157 IonicContact OD1-CG 3.64Å; D155-H157 PolarHBondContact OD1-N 2.9Å; D155-H157 IonicContact OD1-ND1 2.6Å; D155-H157 PolarHBondContact OD1-ND1 3.17Å; H157-Q171 CarbonylContact O-C 3.56Å; H157-Q171 WeakPolarHBondContact O-CA 3.49Å; H157-I172 HydrophobicContact CB-CB 4.44Å; H157-I172 WeakPolarHBondContact CB-O 3.49Å; H157-I172 PolarHBondContact CD2-O 3.17Å; H157-I172 VanDerWaalsContact CD2-O 3.24Å; H157-I172 PolarHBondContact O-N 3.45Å |
| 158 | Y | 90.6 | Very high | 88.3 | Confident | 36 Ų | 36 | 24.8 Ų | 24.8 | 14% | 0.141 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.6 | 176.9 | -65.7 | -90.6 | 0 | 0 | 0 | 110.7 | C152 D155 W156 V169 W170 Q171 | C152-Y158 WeakPolarHBondContact CB-O 3.47Å; C152-Y158 PolarHBondContact N-O 3.23Å; D155-Y158 HydrophobicContact CB-CD2 4.09Å; D155-Y158 PolarHBondContact O-N 3.27Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.42Å; W156-Y158 PolarHBondContact O-N 2.81Å; Y158-V169 HydrophobicContact CD1-CG1 4.07Å; Y158-W170 CarbonylContact C-O 3.45Å; Y158-W170 WeakPolarHBondContact CA-O 3.41Å; Y158-Q171 HydrophobicContact CD1-CB 4.33Å; Y158-Q171 HydrophobicContact CD1-CG 4.31Å; Y158-Q171 HydrophobicContact CE1-CB 4.16Å; Y158-Q171 HydrophobicContact CE1-CG 3.83Å |
| 159 | L | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.3 | 165.3 | -64.7 | 92.6 | 0 | 0 | 0 | 109.7 | A115 I127 F149 S150 F151 V169 W170 I172 | A115-L159 HydrophobicContact CB-CD2 4.05Å; I127-L159 HydrophobicContact CD1-CD1 4.16Å; F149-L159 HydrophobicContact CE1-CD2 4.11Å; F149-L159 HydrophobicContact CE2-CB 4.3Å; F149-L159 HydrophobicContact CE2-CD2 3.71Å; F149-L159 HydrophobicContact CZ-CD2 3.25Å; S150-L159 WeakPolarHBondContact O-CA 3.34Å; F151-L159 HydrophobicContact CD1-CD1 3.9Å; F151-L159 HydrophobicContact CD1-CD2 3.92Å; F151-L159 HydrophobicContact CD1-CG 3.58Å; F151-L159 HydrophobicContact CD2-CD2 4.21Å; F151-L159 HydrophobicContact CE1-CD1 3.59Å; F151-L159 HydrophobicContact CE1-CD2 3.68Å; F151-L159 HydrophobicContact CE1-CG 3.63Å; F151-L159 HydrophobicContact CE2-CD2 3.98Å; F151-L159 HydrophobicContact CG-CD2 4.19Å; F151-L159 HydrophobicContact CG-CG 4.12Å; F151-L159 HydrophobicContact CZ-CD1 4.32Å; F151-L159 HydrophobicContact CZ-CD2 3.71Å; F151-L159 HydrophobicContact CZ-CG 4.21Å; L159-V169 CarbonylContact O-C 3.56Å; L159-V169 VanDerWaalsContact O-CA 3.3Å; L159-V169 WeakPolarHBondContact O-CA 3.35Å; L159-W170 HydrophobicContact CB-CB 4.26Å; L159-W170 HydrophobicContact CB-CE3 4.09Å; L159-W170 PolarHBondContact N-O 3.22Å; L159-W170 PolarHBondContact O-N 3.34Å; L159-I172 HydrophobicContact CD1-CD1 3.55Å; L159-I172 HydrophobicContact CD1-CG1 3.94Å |
| 160 | L | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.1 | 171.2 | -177.3 | 74.6 | 0 | 0 | 0 | 109.3 | F149 S150 A167 H168 V169 Q254 W256 V262 I264 F274 | F149-L160 CarbonylContact C-O 3.51Å; F149-L160 WeakPolarHBondContact CA-O 3.48Å; S150-L160 PolarHBondContact N-O 2.83Å; S150-L160 PolarHBondContact O-N 2.98Å; L160-A167 HydrophobicContact CD1-CB 4.36Å; L160-H168 WeakPolarHBondContact CA-O 3.33Å; L160-V169 HydrophobicContact CD1-CG2 3.69Å; L160-Q254 PolarHBondContact O-NE2 3.21Å; L160-Q254 VanDerWaalsContact O-NE2 3.12Å; L160-W256 HydrophobicContact CB-CH2 4.13Å; L160-W256 HydrophobicContact CB-CZ2 3.49Å; L160-W256 VanDerWaalsContact CB-CZ2 3.49Å; L160-V262 HydrophobicContact CD2-CB 3.94Å; L160-V262 HydrophobicContact CD2-CG1 3.62Å; L160-V262 HydrophobicContact CD2-CG2 3.9Å; L160-I264 HydrophobicContact CD2-CD1 4.21Å; L160-F274 HydrophobicContact CD1-CD1 3.87Å; L160-F274 HydrophobicContact CD1-CE1 3.55Å; L160-F274 HydrophobicContact CD2-CD1 4.17Å |
| 161 | G | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T148 H168 W170 | T148-G161 CarbonylContact O-C 3.57Å; T148-G161 WeakPolarHBondContact O-CA 3.5Å; G161-H168 PolarHBondContact N-O 2.96Å; G161-H168 PolarHBondContact O-N 2.86Å; G161-W170 VanDerWaalsContact N-CZ3 3.32Å |
| 162 | T | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 147.1 | 170.9 | 63.1 | 0 | 0 | 0 | 0 | 108.2 | L146 T147 T148 C166 A167 C251 I264 | L146-T162 CarbonylContact C-O 3.47Å; L146-T162 WeakPolarHBondContact CA-O 3.47Å; T147-T162 PolarHBondContact N-O 3.16Å; T147-T162 PolarHBondContact OG1-O 3.36Å; T147-T162 PolarHBondContact OG1-OG1 3.47Å; T148-T162 PolarHBondContact N-O 3Å; T148-T162 PolarHBondContact O-N 3.37Å; T148-T162 PolarHBondContact OG1-N 2.87Å; T148-T162 PolarHBondContact OG1-OG1 3.39Å; T162-C166 WeakPolarHBondContact CA-O 3.35Å; T162-A167 HydrophobicContact CG2-CB 4.14Å; T162-C251 HydrophobicContact CG2-CB 4.13Å; T162-C251 WeakPolarHBondContact OG1-CB 3.27Å; T162-I264 HydrophobicContact CG2-CD1 4.16Å |
| 163 | D | 85.8 | Confident | 88 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | trans | -112.2 | -158.5 | 164.2 | 67.7 | 2.2 | 0 | 0 | 0 | 108.4 | L144 H165 C166 H168 | L144-D163 WeakPolarHBondContact CD2-OD2 3.41Å; D163-H165 PolarHBondContact O-N 3.29Å; D163-H165 WeakPolarHBondContact OD1-CA 3.39Å; D163-H165 PolarHBondContact OD1-N 3.36Å; D163-C166 PolarHBondContact N-O 2.92Å; D163-C166 VanDerWaalsContact N-O 3.1Å; D163-C166 PolarHBondContact OD1-N 2.94Å; D163-H168 IonicContact OD2-NE2 3.05Å; D163-H168 PolarHBondContact OD2-NE2 3.42Å | ||
| 164 | H | 81.2 | Confident | 87.8 | Confident | 114 Ų | 114 | 29.9 Ų | 29.9 | 53% | 0.528 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -75.7 | -4.6 | 176.5 | -65.9 | -59 | 0 | 0 | 0 | 114 | T147 N250 | T147-H164 VanDerWaalsContact CG2-CE1 3.48Å; T147-H164 WeakPolarHBondContact CG2-CE1 3.44Å; H164-N250 PolarHBondContact CE1-OD1 2.93Å; H164-N250 VanDerWaalsContact CE1-OD1 3.27Å; H164-N250 PolarHBondContact ND1-OD1 3.22Å |
| 165 | H | 81.1 | Confident | 87.3 | Confident | 49 Ų | 49 | 30.6 Ų | 30.6 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -131.1 | -46.2 | -166.2 | -162.9 | -81.9 | 0 | 0 | 0 | 114.5 | D163 L188 D244 R248 | D163-H165 PolarHBondContact O-N 3.29Å; D163-H165 WeakPolarHBondContact OD1-CA 3.39Å; D163-H165 PolarHBondContact OD1-N 3.36Å; H165-L188 VanDerWaalsContact O-CB 3.27Å; H165-L188 WeakPolarHBondContact O-CB 3.36Å; H165-L188 WeakPolarHBondContact O-CG 3.44Å; H165-L188 PolarHBondContact O-N 2.78Å; H165-D244 IonicContact CE1-OD2 2.86Å; H165-D244 PolarHBondContact CE1-OD2 3.14Å; H165-D244 IonicContact NE2-OD2 2.85Å; H165-D244 PolarHBondContact NE2-OD2 3.4Å; H165-R248 VanDerWaalsContact O-CD 3.28Å; H165-R248 WeakPolarHBondContact O-CD 3.05Å |
| 166 | C | 84.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.8 | -171.4 | -72.1 | 0 | 0 | 0 | 0 | 112 | T162 D163 M186 | T162-C166 WeakPolarHBondContact CA-O 3.35Å; D163-C166 PolarHBondContact N-O 2.92Å; D163-C166 VanDerWaalsContact N-O 3.1Å; D163-C166 PolarHBondContact OD1-N 2.94Å; C166-M186 CarbonylContact C-O 3.56Å; C166-M186 WeakPolarHBondContact CA-O 3.47Å |
| 167 | A | 88.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L160 T162 S185 M186 L188 F274 | L160-A167 HydrophobicContact CD1-CB 4.36Å; T162-A167 HydrophobicContact CG2-CB 4.14Å; A167-S185 CarbonylContact O-C 3.59Å; A167-S185 WeakPolarHBondContact O-CA 3.5Å; A167-M186 HydrophobicContact CB-CE 4.49Å; A167-M186 PolarHBondContact N-O 3.35Å; A167-M186 PolarHBondContact O-N 3.08Å; A167-L188 HydrophobicContact CB-CD2 4.09Å; A167-F274 HydrophobicContact CB-CE1 4.46Å |
| 168 | H | 90.5 | Very high | 85.1 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.9 | 178 | -58.6 | -72.5 | 0 | 0 | 0 | 110.7 | L160 G161 D163 W170 S185 | L160-H168 WeakPolarHBondContact CA-O 3.33Å; G161-H168 PolarHBondContact N-O 2.96Å; G161-H168 PolarHBondContact O-N 2.86Å; D163-H168 IonicContact OD2-NE2 3.05Å; D163-H168 PolarHBondContact OD2-NE2 3.42Å; H168-W170 HydrophobicContact CB-CE3 4.46Å; H168-W170 HydrophobicContact CB-CH2 3.48Å; H168-W170 VanDerWaalsContact CB-CH2 3.48Å; H168-W170 HydrophobicContact CB-CZ2 3.55Å; H168-W170 HydrophobicContact CB-CZ3 3.99Å; H168-S185 PolarHBondContact CE1-OG 2.78Å; H168-S185 WeakPolarHBondContact ND1-CB 3.12Å; H168-S185 PolarHBondContact ND1-OG 2.85Å |
| 169 | V | 91.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.4 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | Y158 L159 L160 C183 N184 F274 P276 M279 | Y158-V169 HydrophobicContact CD1-CG1 4.07Å; L159-V169 CarbonylContact O-C 3.56Å; L159-V169 VanDerWaalsContact O-CA 3.3Å; L159-V169 WeakPolarHBondContact O-CA 3.35Å; L160-V169 HydrophobicContact CD1-CG2 3.69Å; V169-C183 WeakPolarHBondContact O-CA 3.34Å; V169-N184 PolarHBondContact N-O 3.14Å; V169-N184 PolarHBondContact O-N 2.77Å; V169-F274 HydrophobicContact CG2-CE1 3.58Å; V169-F274 HydrophobicContact CG2-CZ 3.88Å; V169-P276 HydrophobicContact CG1-CB 3.95Å; V169-P276 HydrophobicContact CG2-CB 3.72Å; V169-M279 HydrophobicContact CB-CE 3.45Å; V169-M279 VanDerWaalsContact CB-CE 3.45Å; V169-M279 HydrophobicContact CG1-CE 4.22Å; V169-M279 HydrophobicContact CG2-CE 3.39Å; V169-M279 HydrophobicContact CG2-SD 4.11Å |
| 170 | W | 92 | Very high | 84.1 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.5 | 170.7 | -61.7 | -83.1 | 0 | 0 | 0 | 110.2 | L125 L141 L146 F149 Y158 L159 G161 H168 I181 K182 C183 | L125-W170 HydrophobicContact CD2-CD2 3.92Å; L125-W170 HydrophobicContact CD2-CE3 4.34Å; L125-W170 HydrophobicContact CD2-CG 4.04Å; L141-W170 HydrophobicContact CD2-CH2 4.32Å; L141-W170 HydrophobicContact CD2-CZ2 3.58Å; L146-W170 HydrophobicContact CD1-CH2 3.71Å; L146-W170 HydrophobicContact CD1-CZ3 4.25Å; L146-W170 HydrophobicContact CD2-CH2 3.82Å; L146-W170 HydrophobicContact CG-CH2 4.43Å; F149-W170 AromaticContact CD2-CZ3 3.96Å; F149-W170 HydrophobicContact CD2-CZ3 3.96Å; F149-W170 HydrophobicContact CE2-CE3 4.08Å; F149-W170 AromaticContact CE2-CZ3 3.81Å; F149-W170 HydrophobicContact CE2-CZ3 3.81Å; Y158-W170 CarbonylContact C-O 3.45Å; Y158-W170 WeakPolarHBondContact CA-O 3.41Å; L159-W170 HydrophobicContact CB-CB 4.26Å; L159-W170 HydrophobicContact CB-CE3 4.09Å; L159-W170 PolarHBondContact N-O 3.22Å; L159-W170 PolarHBondContact O-N 3.34Å; G161-W170 VanDerWaalsContact N-CZ3 3.32Å; H168-W170 HydrophobicContact CB-CE3 4.46Å; H168-W170 HydrophobicContact CB-CH2 3.48Å; H168-W170 VanDerWaalsContact CB-CH2 3.48Å; H168-W170 HydrophobicContact CB-CZ2 3.55Å; H168-W170 HydrophobicContact CB-CZ3 3.99Å; W170-I181 HydrophobicContact CB-CG2 3.86Å; W170-I181 HydrophobicContact CG-CG2 4.18Å; W170-K182 CarbonylContact C-O 3.38Å; W170-K182 WeakPolarHBondContact CA-O 3.48Å; W170-C183 VanDerWaalsContact CD1-CB 3.5Å; W170-C183 HydrophobicContact CG-CB 4.49Å; W170-C183 PolarHBondContact NE1-SG 3.24Å |
| 171 | Q | 89.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.6 | 171 | -173.4 | -179.8 | -8.4 | 0 | 0 | 109.6 | H157 Y158 K182 | H157-Q171 CarbonylContact O-C 3.56Å; H157-Q171 WeakPolarHBondContact O-CA 3.49Å; Y158-Q171 HydrophobicContact CD1-CB 4.33Å; Y158-Q171 HydrophobicContact CD1-CG 4.31Å; Y158-Q171 HydrophobicContact CE1-CB 4.16Å; Y158-Q171 HydrophobicContact CE1-CG 3.83Å; Q171-K182 PolarHBondContact N-O 3.17Å; Q171-K182 PolarHBondContact O-N 3.44Å |
| 172 | I | 89.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 116.3 | 174.2 | -49.5 | 167.8 | 0 | 0 | 0 | 107.8 | I127 F151 W156 H157 L159 T174 S180 I181 | I127-I172 HydrophobicContact CD1-CD1 3.41Å; I127-I172 VanDerWaalsContact CD1-CD1 3.41Å; I127-I172 HydrophobicContact CD1-CG1 3.81Å; F151-I172 HydrophobicContact CE1-CD1 4.46Å; W156-I172 HydrophobicContact CE3-CD1 3.83Å; W156-I172 HydrophobicContact CH2-CG2 4.29Å; W156-I172 HydrophobicContact CZ3-CB 4.43Å; W156-I172 HydrophobicContact CZ3-CD1 3.63Å; W156-I172 HydrophobicContact CZ3-CG2 4.09Å; H157-I172 HydrophobicContact CB-CB 4.44Å; H157-I172 WeakPolarHBondContact CB-O 3.49Å; H157-I172 PolarHBondContact CD2-O 3.17Å; H157-I172 VanDerWaalsContact CD2-O 3.24Å; H157-I172 PolarHBondContact O-N 3.45Å; L159-I172 HydrophobicContact CD1-CD1 3.55Å; L159-I172 HydrophobicContact CD1-CG1 3.94Å; I172-T174 HydrophobicContact CG2-CG2 3.99Å; I172-S180 CarbonylContact C-O 3.57Å; I172-S180 WeakPolarHBondContact CA-O 3.33Å; I172-I181 HydrophobicContact CG1-CG1 4.43Å |
| 173 | E | 85.8 | Confident | 83.3 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.8 | 170.4 | -66.2 | 177.8 | 168.2 | 0 | 0 | 108.4 | N179 S180 K182 | E173-N179 WeakPolarHBondContact O-CA 3.26Å; E173-S180 PolarHBondContact N-O 2.91Å; E173-S180 PolarHBondContact O-N 2.95Å; E173-K182 WeakPolarHBondContact OE1-CE 3.28Å; E173-K182 IonicContact OE1-NZ 2.63Å; E173-K182 PolarHBondContact OE1-NZ 3.41Å; E173-K182 WeakPolarHBondContact OE2-CE 3.4Å; E173-K182 IonicContact OE2-NZ 3.29Å; E173-K182 PolarHBondContact OE2-NZ 3.04Å |
| 174 | T | 79.3 | Confident | 83.3 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 36% | 0.362 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.4 | 177.2 | 59 | 0 | 0 | 0 | 0 | 110.4 | W156 I172 N179 | W156-T174 HydrophobicContact CH2-CG2 3.64Å; W156-T174 HydrophobicContact CZ2-CG2 4.13Å; I172-T174 HydrophobicContact CG2-CG2 3.99Å; T174-N179 VanDerWaalsContact CG2-OD1 3.31Å; T174-N179 WeakPolarHBondContact CG2-OD1 3.48Å |
| 175 | C | 73.8 | Confident | 83.5 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 102.5 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | Q177 M178 | C175-Q177 PolarHBondContact O-N 3.15Å; C175-M178 PolarHBondContact N-O 3.43Å; C175-M178 PolarHBondContact O-N 2.91Å |
| 176 | D | 74.3 | Confident | 83.7 | Confident | 167 Ų | 167 | 61 Ų | 61 | 89% | 0.893 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -103.4 | -172.3 | -66.3 | -26.6 | 0 | 0 | 0 | 113.6 | ||
| 177 | Q | 70.7 | Confident | 83.7 | Confident | 188 Ų | 188 | 62.4 Ų | 62.4 | 88% | 0.879 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -7.9 | 178.2 | -65.8 | -175.5 | -8.6 | 0 | 0 | 113.5 | C175 | C175-Q177 PolarHBondContact O-N 3.15Š|
| 178 | M | 73.1 | Confident | 83.6 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 76% | 0.764 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.6 | 178.2 | -67 | -169.3 | -177.7 | 0 | 0 | 110 | C175 | C175-M178 PolarHBondContact N-O 3.43Å; C175-M178 PolarHBondContact O-N 2.91Å |
| 179 | N | 80.3 | Confident | 83.1 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.7 | 175 | -53.1 | -45.7 | 0 | 0 | 0 | 108.7 | L136 C137 E173 T174 | L136-N179 WeakPolarHBondContact CD2-ND2 3.37Å; L136-N179 WeakPolarHBondContact CG-ND2 3.4Å; L136-N179 PolarHBondContact O-ND2 2.88Å; C137-N179 HydrophobicContact CB-CB 4.19Å; E173-N179 WeakPolarHBondContact O-CA 3.26Å; T174-N179 VanDerWaalsContact CG2-OD1 3.31Å; T174-N179 WeakPolarHBondContact CG2-OD1 3.48Å |
| 180 | S | 80.5 | Confident | 82.5 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144 | 172.2 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | I172 E173 | I172-S180 CarbonylContact C-O 3.57Å; I172-S180 WeakPolarHBondContact CA-O 3.33Å; E173-S180 PolarHBondContact N-O 2.91Å; E173-S180 PolarHBondContact O-N 2.95Å |
| 181 | I | 87.2 | Confident | 81.4 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.138 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123 | 173.4 | -57.4 | 159 | 0 | 0 | 0 | 107 | I127 C137 T139 W170 I172 | I127-I181 HydrophobicContact CD1-CD1 3.86Å; I127-I181 HydrophobicContact CD1-CG1 4.17Å; C137-I181 HydrophobicContact CB-CD1 3.46Å; C137-I181 VanDerWaalsContact CB-CD1 3.46Å; C137-I181 HydrophobicContact CB-CG1 3.71Å; C137-I181 WeakPolarHBondContact SG-CD1 3.47Å; C137-I181 WeakPolarHBondContact SG-CG1 3Å; T139-I181 HydrophobicContact CG2-CB 3.6Å; T139-I181 HydrophobicContact CG2-CD1 3.69Å; T139-I181 HydrophobicContact CG2-CG1 4.27Å; T139-I181 HydrophobicContact CG2-CG2 3.84Å; W170-I181 HydrophobicContact CB-CG2 3.86Å; W170-I181 HydrophobicContact CG-CG2 4.18Å; I172-I181 HydrophobicContact CG1-CG1 4.43Å |
| 182 | K | 84.7 | Confident | 80.3 | Confident | 101 Ų | 101 | 70.9 Ų | 70.9 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.8 | 169.6 | -68 | -179.8 | 179.1 | 165.7 | 0 | 109 | W170 Q171 E173 | W170-K182 CarbonylContact C-O 3.38Å; W170-K182 WeakPolarHBondContact CA-O 3.48Å; Q171-K182 PolarHBondContact N-O 3.17Å; Q171-K182 PolarHBondContact O-N 3.44Å; E173-K182 WeakPolarHBondContact OE1-CE 3.28Å; E173-K182 IonicContact OE1-NZ 2.63Å; E173-K182 PolarHBondContact OE1-NZ 3.41Å; E173-K182 WeakPolarHBondContact OE2-CE 3.4Å; E173-K182 IonicContact OE2-NZ 3.29Å; E173-K182 PolarHBondContact OE2-NZ 3.04Å |
| 183 | C | 85.8 | Confident | 79.3 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.7 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | V169 W170 | V169-C183 WeakPolarHBondContact O-CA 3.34Å; W170-C183 VanDerWaalsContact CD1-CB 3.5Å; W170-C183 HydrophobicContact CG-CB 4.49Å; W170-C183 PolarHBondContact NE1-SG 3.24Å |
| 184 | N | 86.3 | Confident | 78.5 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.4 | 170.5 | -68.6 | -2.2 | 0 | 0 | 0 | 107.7 | V169 M279 | V169-N184 PolarHBondContact N-O 3.14Å; V169-N184 PolarHBondContact O-N 2.77Å; N184-M279 HydrophobicContact CB-CE 3.23Å |
| 185 | S | 86.2 | Confident | 78.3 | Confident | 70 Ų | 70 | 76 Ų | 76 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.8 | -176.5 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | A167 H168 | A167-S185 CarbonylContact O-C 3.59Å; A167-S185 WeakPolarHBondContact O-CA 3.5Å; H168-S185 PolarHBondContact CE1-OG 2.78Å; H168-S185 WeakPolarHBondContact ND1-CB 3.12Å; H168-S185 PolarHBondContact ND1-OG 2.85Å |
| 186 | M | 84 | Confident | 78.4 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.7 | 170.3 | -179.4 | -162.3 | 68.2 | 0 | 0 | 108.9 | C166 A167 F274 M279 L281 | C166-M186 CarbonylContact C-O 3.56Å; C166-M186 WeakPolarHBondContact CA-O 3.47Å; A167-M186 HydrophobicContact CB-CE 4.49Å; A167-M186 PolarHBondContact N-O 3.35Å; A167-M186 PolarHBondContact O-N 3.08Å; M186-F274 HydrophobicContact CB-CE2 4.41Å; M186-F274 HydrophobicContact CE-CD2 3.39Å; M186-F274 HydrophobicContact CE-CE2 3.16Å; M186-F274 HydrophobicContact CE-CG 4.43Å; M186-F274 HydrophobicContact CE-CZ 4.04Å; M186-F274 HydrophobicContact SD-CD2 4.05Å; M186-F274 HydrophobicContact SD-CE2 3.46Å; M186-F274 WeakPolarHBondContact SD-CE2 3.08Å; M186-F274 HydrophobicContact SD-CZ 4.43Å; M186-M279 HydrophobicContact CB-SD 4.18Å; M186-M279 VanDerWaalsContact SD-O 3.4Å; M186-L281 HydrophobicContact CE-CB 3.72Å; M186-L281 HydrophobicContact CE-CD1 3.44Å; M186-L281 VanDerWaalsContact CE-CD1 3.44Å; M186-L281 HydrophobicContact CE-CG 4.2Å; M186-L281 HydrophobicContact SD-CB 4.03Å |
| 187 | I | 84 | Confident | 78.5 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 20% | 0.195 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.7 | -179 | -61.1 | 174.9 | 0 | 0 | 0 | 110.5 | Y198 | I187-Y198 WeakPolarHBondContact O-CE1 3.45Å |
| 188 | L | 86.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 145.7 | 178.9 | -68.2 | 170.3 | 0 | 0 | 0 | 111.5 | H165 A167 R248 | H165-L188 VanDerWaalsContact O-CB 3.27Å; H165-L188 WeakPolarHBondContact O-CB 3.36Å; H165-L188 WeakPolarHBondContact O-CG 3.44Å; H165-L188 PolarHBondContact O-N 2.78Å; A167-L188 HydrophobicContact CB-CD2 4.09Å; L188-R248 HydrophobicContact CB-CB 4.34Å; L188-R248 VanDerWaalsContact O-CD 3.31Å; L188-R248 WeakPolarHBondContact O-CD 3.14Å; L188-R248 PolarHBondContact O-NH1 3.19Å |
| 189 | P | 81.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 163.3 | 178.7 | -19.6 | 29.9 | 0 | 0 | 0 | 114 | V193 Y198 R248 L249 L281 I283 | P189-V193 HydrophobicContact CB-CB 4.33Å; P189-V193 HydrophobicContact CB-CG2 4Å; P189-Y198 HydrophobicContact CB-CD2 4.3Å; P189-Y198 HydrophobicContact CB-CE2 4.24Å; P189-Y198 HydrophobicContact CG-CD1 3.95Å; P189-Y198 HydrophobicContact CG-CD2 4.22Å; P189-Y198 HydrophobicContact CG-CE1 4.13Å; P189-Y198 HydrophobicContact CG-CE2 4.41Å; P189-Y198 HydrophobicContact CG-CG 3.99Å; P189-R248 WeakPolarHBondContact O-CA 3.21Å; P189-L249 HydrophobicContact CB-CD1 3.9Å; P189-L249 HydrophobicContact CG-CD1 4.18Å; P189-L249 WeakPolarHBondContact O-CG 3.29Å; P189-L249 PolarHBondContact O-N 3.07Å; P189-L281 HydrophobicContact CG-CD1 4.43Å; P189-L281 HydrophobicContact CG-CD2 3.6Å; P189-I283 HydrophobicContact CB-CD1 4.11Å; P189-I283 HydrophobicContact CG-CD1 4.18Å; P189-I283 HydrophobicContact CG-CG1 4.36Å |
| 190 | E | 77.5 | Confident | 77.2 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 161.1 | 170.8 | -49.9 | -179.7 | -171.4 | 0 | 0 | 111.6 | T192 V193 C246 | E190-T192 PolarHBondContact O-N 3.32Å; E190-T192 VanDerWaalsContact O-N 3.1Å; E190-V193 HydrophobicContact CB-CG2 4.01Å; E190-V193 WeakPolarHBondContact O-CG2 3.28Å; E190-V193 PolarHBondContact O-N 3.37Å; E190-C246 VanDerWaalsContact CD-SG 3.6Å; E190-C246 HydrophobicContact CG-CB 3.71Å; E190-C246 WeakPolarHBondContact OE1-CB 3.48Å; E190-C246 PolarHBondContact OE1-SG 3.37Å |
| 191 | H | 69.3 | Low | 75.7 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 38% | 0.384 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.6 | -179.4 | -157.8 | -79.5 | 0 | 0 | 0 | 114.2 | V247 Q270 N286 | H191-V247 PolarHBondContact N-O 2.94Å; H191-Q270 PolarHBondContact CD2-NE2 3.49Å; H191-Q270 PolarHBondContact CE1-NE2 2.92Å; H191-Q270 PolarHBondContact NE2-NE2 3.11Å; H191-N286 PolarHBondContact O-ND2 2.97Å |
| 192 | T | 66.1 | Low | 73.5 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.8 | -173.8 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | E190 | E190-T192 PolarHBondContact O-N 3.32Å; E190-T192 VanDerWaalsContact O-N 3.1Å |
| 193 | V | 68.2 | Low | 70.8 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 139 | -173.3 | -175.9 | 0 | 0 | 0 | 0 | 112 | P189 E190 Y198 I283 N286 | P189-V193 HydrophobicContact CB-CB 4.33Å; P189-V193 HydrophobicContact CB-CG2 4Å; E190-V193 HydrophobicContact CB-CG2 4.01Å; E190-V193 WeakPolarHBondContact O-CG2 3.28Å; E190-V193 PolarHBondContact O-N 3.37Å; V193-Y198 HydrophobicContact CG1-CD2 4.37Å; V193-I283 HydrophobicContact CB-CD1 3.6Å; V193-I283 HydrophobicContact CG1-CD1 3.28Å; V193-N286 PolarHBondContact O-ND2 2.9Å |
| 194 | N | 69.7 | Low | 68.1 | Low | 110 Ų | 110 | 66.4 Ų | 66.4 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 156.7 | 178.8 | -71.9 | -29.2 | 0 | 0 | 0 | 112.9 | ||
| 195 | L | 74.4 | Confident | 65.5 | Low | 88 Ų | 88 | 70.3 Ų | 70.3 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -58.1 | 139.9 | 172.7 | -63.8 | 171.8 | 0 | 0 | 0 | 111.3 | I283 N286 | L195-I283 HydrophobicContact CD2-CG2 4.24Å; L195-N286 HydrophobicContact CD2-CB 4.29Å |
| 196 | G | 76.8 | Confident | 62.7 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.3 | -170.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K282 I283 | G196-K282 CarbonylContact O-C 3.58Å; G196-K282 WeakPolarHBondContact O-CA 3.3Å; G196-I283 PolarHBondContact N-O 3.12Å; G196-I283 VanDerWaalsContact N-O 3.08Å; G196-I283 PolarHBondContact O-N 2.78Å |
| 197 | P | 76 | Confident | 59.9 | Low | 59 Ų | 59 | 80.2 Ų | 80.2 | 38% | 0.383 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.1 | -178.6 | 30.8 | -34.4 | 0 | 0 | 0 | 113 | Y199 L281 F377 | P197-Y199 HydrophobicContact CB-CE2 3.82Å; P197-Y199 HydrophobicContact CG-CE2 3.82Å; P197-L281 CarbonylContact C-O 3.56Å; P197-L281 WeakPolarHBondContact CA-O 3.2Å; P197-F377 HydrophobicContact CB-CD1 3.74Å; P197-F377 HydrophobicContact CB-CE1 3.27Å; P197-F377 HydrophobicContact CB-CZ 4.35Å; P197-F377 HydrophobicContact CG-CD1 3.99Å; P197-F377 HydrophobicContact CG-CE1 3.78Å |
| 198 | Y | 76 | Confident | 57.3 | Low | 37 Ų | 37 | 83.1 Ų | 83.1 | 15% | 0.145 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.4 | 177.5 | 179.8 | -99.1 | 0 | 0 | 0 | 108.5 | I187 P189 V193 L281 | I187-Y198 WeakPolarHBondContact O-CE1 3.45Å; P189-Y198 HydrophobicContact CB-CD2 4.3Å; P189-Y198 HydrophobicContact CB-CE2 4.24Å; P189-Y198 HydrophobicContact CG-CD1 3.95Å; P189-Y198 HydrophobicContact CG-CD2 4.22Å; P189-Y198 HydrophobicContact CG-CE1 4.13Å; P189-Y198 HydrophobicContact CG-CE2 4.41Å; P189-Y198 HydrophobicContact CG-CG 3.99Å; V193-Y198 HydrophobicContact CG1-CD2 4.37Å; Y198-L281 HydrophobicContact CD1-CB 4.23Å; Y198-L281 HydrophobicContact CD1-CD2 4.13Å; Y198-L281 HydrophobicContact CG-CD2 4.17Å; Y198-L281 PolarHBondContact N-O 2.67Å; Y198-L281 PolarHBondContact O-N 2.66Å; Y198-L281 VanDerWaalsContact O-O 3.11Å |
| 199 | Y | 64.2 | Low | 54.7 | Low | 129 Ų | 129 | 90.6 Ų | 90.6 | 51% | 0.506 | 48% | 0.476 | S | S | . | . | trans | -103.3 | 16.4 | -172.7 | -64.5 | -77.1 | 0 | 0 | 0 | 113.4 | P197 F377 | P197-Y199 HydrophobicContact CB-CE2 3.82Å; P197-Y199 HydrophobicContact CG-CE2 3.82Å; Y199-F377 HydrophobicContact CE1-CE1 4.14Å; Y199-F377 AromaticContact CE1-CZ 3.9Å; Y199-F377 HydrophobicContact CE1-CZ 3.9Å; Y199-F377 AromaticContact CZ-CE1 3.8Å; Y199-F377 WeakPolarHBondContact OH-CE1 3.14Å; Y199-F377 WeakPolarHBondContact OH-CZ 3.22Å | ||
| 200 | G | 55.9 | Low | 52.1 | Low | 22 Ų | 22 | 96.3 Ų | 96.3 | 23% | 0.227 | 51% | 0.511 | C | S | . | . | trans | 66.1 | 177.1 | -171 | 0 | 0 | 0 | 0 | 0 | 112.3 | H202 | G200-H202 PolarHBondContact O-N 2.84Š| ||
| 201 | S | 49.9 | Very low | 49.8 | Very low | 71 Ų | 71 | 100 Ų | 100 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 12.1 | -167.2 | 40.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 202 | H | 39.9 | Very low | 47.7 | Very low | 147 Ų | 147 | 98.4 Ų | 98.4 | 68% | 0.681 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -12.1 | -172.5 | -76 | -62.5 | 0 | 0 | 0 | 117.9 | G200 | G200-H202 PolarHBondContact O-N 2.84Š|
| 203 | D | 28.1 | Very low | 46 | Very low | 127 Ų | 127 | 98.8 Ų | 98.8 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | trans | -119.8 | 29.8 | -172.7 | -100.4 | -15.3 | 0 | 0 | 0 | 116.3 | K205 | D203-K205 PolarHBondContact O-N 3.2Š| ||
| 204 | T | 30.6 | Very low | 44 | Very low | 82 Ų | 82 | 103.2 Ų | 103.2 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | 17.6 | 164.7 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | E208 R214 | T204-E208 VanDerWaalsContact O-OE1 3.05Å; T204-R214 VanDerWaalsContact C-NH2 3.28Å; T204-R214 PolarHBondContact O-NH2 2.87Å; T204-R214 PolarHBondContact OG1-NH2 3.36Å |
| 205 | K | 30.6 | Very low | 42.1 | Very low | 166 Ų | 166 | 103.5 Ų | 103.5 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -4.6 | -177.8 | -78.6 | -175.4 | 179.5 | 172.4 | 0 | 115.8 | D203 | D203-K205 PolarHBondContact O-N 3.2Š|
| 206 | I | 28.1 | Very low | 40.1 | Very low | 145 Ų | 145 | 107.2 Ų | 107.2 | 74% | 0.744 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -125.2 | -7.8 | -175.1 | -58.3 | -179.2 | 0 | 0 | 0 | 115 | ||
| 207 | N | 25.6 | Very low | 37.9 | Very low | 149 Ų | 149 | 108.3 Ų | 108.3 | 80% | 0.797 | 58% | 0.575 | S | S | * | * | trans | -119.3 | 38.7 | 177 | -79.4 | -17.6 | 0 | 0 | 0 | 113.6 | D209 | N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3.36Å | ||
| 208 | E | 28.8 | Very low | 36.3 | Very low | 99 Ų | 99 | 109.9 Ų | 109.9 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | trans | -90.3 | 50.8 | 175.1 | -70.5 | -177.8 | 175 | 0 | 0 | 112.3 | T204 R214 | T204-E208 VanDerWaalsContact O-OE1 3.05Å; E208-R214 IonicContact OE1-CZ 2.76Å; E208-R214 VanDerWaalsContact OE1-CZ 3.26Å; E208-R214 IonicContact OE1-NE 3.52Å; E208-R214 PolarHBondContact OE1-NE 3.01Å; E208-R214 IonicContact OE1-NH2 3.72Å; E208-R214 PolarHBondContact OE1-NH2 2.94Å | ||
| 209 | D | 30.7 | Very low | 34.4 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 84% | 0.84 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -131.9 | 57.1 | 162.8 | -90 | -23.9 | 0 | 0 | 0 | 108.3 | N207 | N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3.36Å |
| 210 | T | 27.7 | Very low | 33.2 | Very low | 121 Ų | 121 | 110.8 Ų | 110.8 | 74% | 0.742 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -179.6 | 99.4 | 154.1 | 19.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 211 | T | 29.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 114.2 Ų | 114.2 | 91% | 0.914 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 53.8 | 66.4 | 167.6 | 62.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 212 | G | 25.9 | Very low | 31.7 | Very low | 50 Ų | 50 | 118 Ų | 118 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | trans | -126.3 | 79.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R214 | G212-R214 PolarHBondContact O-N 3.47Š| ||
| 213 | V | 30.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 113.7 Ų | 113.7 | 67% | 0.667 | 60% | 0.598 | S | S | * | * | trans | -77.2 | 102.2 | 165.6 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | H215 | V213-H215 WeakPolarHBondContact CG1-NE2 3.36Å; V213-H215 PolarHBondContact O-CD2 3.35Å; V213-H215 VanDerWaalsContact O-CD2 3.31Å; V213-H215 PolarHBondContact O-N 3.05Å | ||
| 214 | R | 25.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 113.5 Ų | 113.5 | 50% | 0.502 | 60% | 0.597 | S | S | . | * | trans | -69.5 | 114.4 | 167.3 | -73.5 | -173.9 | -172.2 | -150.3 | -3.5 | 107.6 | T204 E208 G212 | T204-R214 VanDerWaalsContact C-NH2 3.28Å; T204-R214 PolarHBondContact O-NH2 2.87Å; T204-R214 PolarHBondContact OG1-NH2 3.36Å; E208-R214 IonicContact OE1-CZ 2.76Å; E208-R214 VanDerWaalsContact OE1-CZ 3.26Å; E208-R214 IonicContact OE1-NE 3.52Å; E208-R214 PolarHBondContact OE1-NE 3.01Å; E208-R214 IonicContact OE1-NH2 3.72Å; E208-R214 PolarHBondContact OE1-NH2 2.94Å; G212-R214 PolarHBondContact O-N 3.47Å | ||
| 215 | H | 30.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 53% | 0.532 | 60% | 0.601 | S | S | . | * | trans | -87.9 | 125.9 | -177.2 | -78.9 | -79.3 | 0 | 0 | 0 | 111.5 | V213 N1564 | V213-H215 WeakPolarHBondContact CG1-NE2 3.36Å; V213-H215 PolarHBondContact O-CD2 3.35Å; V213-H215 VanDerWaalsContact O-CD2 3.31Å; V213-H215 PolarHBondContact O-N 3.05Å; H215-N1564 PolarHBondContact CE1-OD1 3.12Å; H215-N1564 VanDerWaalsContact CE1-OD1 3.31Å; H215-N1564 PolarHBondContact ND1-ND2 3.5Å | ||
| 216 | E | 31.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 108.5 Ų | 108.5 | 78% | 0.78 | 60% | 0.595 | S | S | * | * | trans | -75.4 | 132.1 | -175.5 | -57.8 | 173.2 | 156.6 | 0 | 0 | 110.7 | ||||
| 217 | T | 31.4 | Very low | 34.7 | Very low | 40 Ų | 40 | 105.1 Ų | 105.1 | 25% | 0.245 | 58% | 0.584 | C | S | . | * | trans | -129.8 | -177.3 | 174.9 | 69.4 | 0 | 0 | 0 | 0 | 112 | M243 K245 | T217-M243 WeakPolarHBondContact O-CE 3.38Å; T217-M243 PolarHBondContact OG1-O 3.33Å; T217-K245 HydrophobicContact CG2-CD 3.72Å | ||
| 218 | R | 41.3 | Very low | 35.8 | Very low | 92 Ų | 92 | 100.4 Ų | 100.4 | 35% | 0.347 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | -90.5 | -11.2 | -128.6 | 177.8 | 173.2 | 179.3 | 163.2 | 2 | 117.4 | N1575 A1577 L1578 | R218-N1575 PolarHBondContact NH1-O 2.71Å; R218-A1577 PolarHBondContact NH1-O 3.08Å; R218-L1578 HydrophobicContact CB-CD1 4.26Å; R218-L1578 HydrophobicContact CB-CD2 3.98Å; R218-L1578 HydrophobicContact CB-CG 3.81Å; R218-L1578 HydrophobicContact CG-CD2 3.47Å; R218-L1578 VanDerWaalsContact CG-CD2 3.47Å; R218-L1578 HydrophobicContact CG-CG 3.66Å; R218-L1578 WeakPolarHBondContact O-CD2 3.34Å | |
| 219 | F | 36.4 | Very low | 36.5 | Very low | 125 Ų | 125 | 101.6 Ų | 101.6 | 55% | 0.548 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.7 | 28.7 | -162.9 | -77.3 | -67.7 | 0 | 0 | 0 | 116.2 | F239 M243 | F219-F239 WeakPolarHBondContact O-CE2 3.49Å; F219-F239 VanDerWaalsContact O-CZ 3.23Å; F219-F239 WeakPolarHBondContact O-CZ 3.39Å; F219-M243 HydrophobicContact CB-SD 3.99Å; F219-M243 PolarHBondContact N-SD 2.94Å |
| 220 | D | 39.4 | Very low | 37.5 | Very low | 60 Ų | 60 | 97.5 Ų | 97.5 | 32% | 0.321 | 57% | 0.567 | S | S | . | * | trans | -141.9 | 149.4 | 145.1 | -117.8 | -125.9 | 0 | 0 | 0 | 112.8 | I223 F239 M243 | D220-I223 WeakPolarHBondContact OD1-CD1 3.4Å; D220-F239 HydrophobicContact CB-CE1 3.36Å; D220-F239 HydrophobicContact CB-CE2 3.87Å; D220-F239 HydrophobicContact CB-CZ 3.02Å; D220-F239 WeakPolarHBondContact OD2-CE2 3.29Å; D220-F239 WeakPolarHBondContact OD2-CZ 3.36Å; D220-M243 HydrophobicContact CB-CE 4.2Å; D220-M243 VanDerWaalsContact N-CE 3.29Å; D220-M243 PolarHBondContact N-SD 3.34Å; D220-M243 VanDerWaalsContact N-SD 3.43Å | ||
| 221 | P | 37.8 | Very low | 38.5 | Very low | 94 Ų | 94 | 95.7 Ų | 95.7 | 61% | 0.61 | 55% | 0.553 | S | S | * | * | trans | -58.8 | 154.1 | 162.9 | -4.3 | 20.6 | 0 | 0 | 0 | 108.7 | I223 | P221-I223 HydrophobicContact CB-CG1 4.45Å; P221-I223 HydrophobicContact CG-CG1 4.44Å; P221-I223 PolarHBondContact O-N 2.94Å | ||
| 222 | N | 36.6 | Very low | 39.6 | Very low | 149 Ų | 149 | 94.5 Ų | 94.5 | 80% | 0.797 | 54% | 0.541 | S | S | * | . | trans | -59.1 | 78.1 | 159.2 | -84.1 | -37.2 | 0 | 0 | 0 | 109.5 | L224 | N222-L224 PolarHBondContact O-N 3.49Å; N222-L224 VanDerWaalsContact O-N 3.11Å | ||
| 223 | I | 43.6 | Very low | 40.7 | Very low | 58 Ų | 58 | 99.9 Ų | 99.9 | 30% | 0.297 | 55% | 0.552 | S | S | . | * | trans | -67.9 | 108.2 | 164.2 | -58.4 | -176.1 | 0 | 0 | 0 | 103.2 | D220 P221 G225 S227 I228 | D220-I223 WeakPolarHBondContact OD1-CD1 3.4Å; P221-I223 HydrophobicContact CB-CG1 4.45Å; P221-I223 HydrophobicContact CG-CG1 4.44Å; P221-I223 PolarHBondContact O-N 2.94Å; I223-G225 PolarHBondContact O-N 2.74Å; I223-S227 WeakPolarHBondContact CG2-OG 3.33Å; I223-I228 HydrophobicContact CB-CD1 4.28Å; I223-I228 HydrophobicContact CB-CG1 3.99Å; I223-I228 HydrophobicContact CG2-CD1 4.4Å; I223-I228 HydrophobicContact CG2-CG1 3.6Å | ||
| 224 | L | 40.5 | Very low | 41.5 | Very low | 123 Ų | 123 | 98.4 Ų | 98.4 | 64% | 0.644 | 55% | 0.547 | S | S | * | . | trans | -44.9 | 143.3 | 172 | -96.9 | 86 | 0 | 0 | 0 | 107.8 | N222 S226 S227 | N222-L224 PolarHBondContact O-N 3.49Å; N222-L224 VanDerWaalsContact O-N 3.11Å; L224-S226 VanDerWaalsContact CB-OG 3.25Å; L224-S226 WeakPolarHBondContact CB-OG 3.23Å; L224-S226 PolarHBondContact O-N 2.98Å; L224-S227 PolarHBondContact O-N 3.34Å; L224-S227 PolarHBondContact O-OG 3.1Å; L224-S227 VanDerWaalsContact O-OG 3.06Å | ||
| 225 | G | 43.2 | Very low | 43 | Very low | 57 Ų | 57 | 100.1 Ų | 100.1 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -50.7 | -20.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I223 S227 T229 | I223-G225 PolarHBondContact O-N 2.74Å; G225-S227 VanDerWaalsContact C-N 3.32Å; G225-S227 PolarHBondContact O-N 3.45Å; G225-T229 WeakPolarHBondContact O-CG2 3.48Å; G225-T229 PolarHBondContact O-N 3.42Å |
| 226 | S | 46 | Very low | 44 | Very low | 85 Ų | 85 | 98.1 Ų | 98.1 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.8 | -17.5 | 171 | 58.5 | 0 | 0 | 0 | 0 | 116.2 | L224 T229 | L224-S226 VanDerWaalsContact CB-OG 3.25Å; L224-S226 WeakPolarHBondContact CB-OG 3.23Å; L224-S226 PolarHBondContact O-N 2.98Å; S226-T229 PolarHBondContact O-OG1 2.86Å |
| 227 | S | 47.8 | Very low | 45 | Very low | 75 Ų | 75 | 96.3 Ų | 96.3 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -106.3 | -9.1 | -179.9 | 14.3 | 0 | 0 | 0 | 0 | 113.4 | I223 L224 G225 | I223-S227 WeakPolarHBondContact CG2-OG 3.33Å; L224-S227 PolarHBondContact O-N 3.34Å; L224-S227 PolarHBondContact O-OG 3.1Å; L224-S227 VanDerWaalsContact O-OG 3.06Å; G225-S227 VanDerWaalsContact C-N 3.32Å; G225-S227 PolarHBondContact O-N 3.45Å |
| 228 | I | 47.1 | Very low | 46.1 | Very low | 50 Ų | 50 | 101 Ų | 101 | 26% | 0.256 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -90.4 | -21.8 | 167.5 | -56.1 | 174.6 | 0 | 0 | 0 | 111.4 | I223 G230 L231 E236 | I223-I228 HydrophobicContact CB-CD1 4.28Å; I223-I228 HydrophobicContact CB-CG1 3.99Å; I223-I228 HydrophobicContact CG2-CD1 4.4Å; I223-I228 HydrophobicContact CG2-CG1 3.6Å; I228-G230 PolarHBondContact O-N 2.89Å; I228-L231 HydrophobicContact CG2-CD1 4.32Å; I228-L231 PolarHBondContact O-N 3.45Å; I228-E236 HydrophobicContact CG2-CG 4.28Å; I228-E236 WeakPolarHBondContact CG2-OE1 3.36Å |
| 229 | T | 43.5 | Very low | 46.7 | Very low | 123 Ų | 123 | 99.5 Ų | 99.5 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 20.8 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 115.9 | G225 S226 | G225-T229 WeakPolarHBondContact O-CG2 3.48Å; G225-T229 PolarHBondContact O-N 3.42Å; S226-T229 PolarHBondContact O-OG1 2.86Å |
| 230 | G | 52.1 | Low | 47.6 | Very low | 71 Ų | 71 | 97.1 Ų | 97.1 | 73% | 0.732 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.9 | 5.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I228 | I228-G230 PolarHBondContact O-N 2.89Š|
| 231 | L | 48.8 | Very low | 48.2 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -77.8 | 146.5 | 172.1 | -81.3 | 160.2 | 0 | 0 | 0 | 110.2 | I228 | I228-L231 HydrophobicContact CG2-CD1 4.32Å; I228-L231 PolarHBondContact O-N 3.45Å |
| 232 | N | 52 | Low | 48.9 | Very low | 124 Ų | 124 | 102.7 Ų | 102.7 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | trans | -73.4 | 138.6 | 174.9 | -71.5 | -7.3 | 0 | 0 | 0 | 109.5 | S234 R235 E236 | N232-S234 PolarHBondContact O-N 3.03Å; N232-R235 PolarHBondContact O-N 3.48Å; N232-E236 PolarHBondContact O-N 3.33Å | ||
| 233 | E | 49.6 | Very low | 49.6 | Very low | 163 Ų | 163 | 97.7 Ų | 97.7 | 76% | 0.762 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -43.4 | -43.6 | -177.8 | -68.4 | 172.8 | 165.4 | 0 | 0 | 113.6 | R235 E236 E237 | E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.84Å; E233-E236 WeakPolarHBondContact O-CB 3.42Å; E233-E236 PolarHBondContact O-N 2.97Å; E233-E236 VanDerWaalsContact O-N 3.15Å; E233-E237 PolarHBondContact O-N 3.04Å; E233-E237 VanDerWaalsContact O-N 3.12Å |
| 234 | S | 47.3 | Very low | 50 | Low | 79 Ų | 79 | 96.7 Ų | 96.7 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -29.2 | -178.7 | 65.7 | 0 | 0 | 0 | 0 | 115.1 | N232 E238 | N232-S234 PolarHBondContact O-N 3.03Å; S234-E238 PolarHBondContact O-N 3.39Å |
| 235 | R | 55.8 | Low | 50.8 | Low | 169 Ų | 169 | 94.3 Ų | 94.3 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -86.9 | -22.8 | 178.3 | -79.1 | -170.3 | 176.8 | 176.5 | -0.7 | 112.2 | N232 E233 F239 | N232-R235 PolarHBondContact O-N 3.48Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.84Å; R235-F239 WeakPolarHBondContact O-CB 3.4Å; R235-F239 PolarHBondContact O-N 3.49Å |
| 236 | E | 53.4 | Low | 51.5 | Low | 73 Ų | 73 | 94 Ų | 94 | 34% | 0.341 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 172.5 | -163.2 | 170 | -176.3 | 0 | 0 | 109.4 | I228 N232 E233 F239 D240 | I228-E236 HydrophobicContact CG2-CG 4.28Å; I228-E236 WeakPolarHBondContact CG2-OE1 3.36Å; N232-E236 PolarHBondContact O-N 3.33Å; E233-E236 WeakPolarHBondContact O-CB 3.42Å; E233-E236 PolarHBondContact O-N 2.97Å; E233-E236 VanDerWaalsContact O-N 3.15Å; E236-F239 WeakPolarHBondContact O-CB 3.43Å; E236-F239 PolarHBondContact O-N 3.39Å; E236-D240 PolarHBondContact O-N 3.37Å |
| 237 | E | 52 | Low | 52.4 | Low | 130 Ų | 130 | 95.6 Ų | 95.6 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -49.4 | 173.6 | -68.2 | 178 | 171.5 | 0 | 0 | 113.3 | E233 F239 D240 D241 | E233-E237 PolarHBondContact O-N 3.04Å; E233-E237 VanDerWaalsContact O-N 3.12Å; E237-F239 PolarHBondContact O-N 2.97Å; E237-D240 PolarHBondContact O-N 2.8Å; E237-D241 PolarHBondContact O-N 3.11Å |
| 238 | E | 53.9 | Low | 53.8 | Low | 137 Ų | 137 | 93.5 Ų | 93.5 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.7 | -30.3 | 175.2 | -105.7 | -175.8 | 174.1 | 0 | 0 | 112.2 | S234 | S234-E238 PolarHBondContact O-N 3.39Å |
| 239 | F | 54.5 | Low | 55.6 | Low | 61 Ų | 61 | 91.3 Ų | 91.3 | 27% | 0.268 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.6 | -44.4 | -178.5 | -171.1 | -91.7 | 0 | 0 | 0 | 111.9 | F219 D220 R235 E236 E237 D241 Y242 M243 | F219-F239 WeakPolarHBondContact O-CE2 3.49Å; F219-F239 VanDerWaalsContact O-CZ 3.23Å; F219-F239 WeakPolarHBondContact O-CZ 3.39Å; D220-F239 HydrophobicContact CB-CE1 3.36Å; D220-F239 HydrophobicContact CB-CE2 3.87Å; D220-F239 HydrophobicContact CB-CZ 3.02Å; D220-F239 WeakPolarHBondContact OD2-CE2 3.29Å; D220-F239 WeakPolarHBondContact OD2-CZ 3.36Å; R235-F239 WeakPolarHBondContact O-CB 3.4Å; R235-F239 PolarHBondContact O-N 3.49Å; E236-F239 WeakPolarHBondContact O-CB 3.43Å; E236-F239 PolarHBondContact O-N 3.39Å; E237-F239 PolarHBondContact O-N 2.97Å; F239-D241 VanDerWaalsContact C-N 3.33Å; F239-D241 PolarHBondContact O-N 2.88Å; F239-Y242 PolarHBondContact O-N 3.42Å; F239-M243 HydrophobicContact CE1-CG 3.66Å; F239-M243 HydrophobicContact CZ-CG 3.6Å; F239-M243 HydrophobicContact CZ-SD 4.07Å |
| 240 | D | 54.6 | Low | 57.5 | Low | 75 Ų | 75 | 87.6 Ų | 87.6 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 174.6 | -76 | -18.2 | 0 | 0 | 0 | 112 | E236 E237 Y242 M243 D244 | E236-D240 PolarHBondContact O-N 3.37Å; E237-D240 PolarHBondContact O-N 2.8Å; D240-Y242 VanDerWaalsContact C-N 3.27Å; D240-Y242 PolarHBondContact O-N 3.21Å; D240-M243 PolarHBondContact O-N 3.1Å; D240-D244 PolarHBondContact O-N 3.38Å |
| 241 | D | 51.2 | Low | 59.3 | Low | 98 Ų | 98 | 84.2 Ų | 84.2 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.9 | -33 | 177.1 | -82.5 | -9.9 | 0 | 0 | 0 | 113 | E237 F239 M243 | E237-D241 PolarHBondContact O-N 3.11Å; F239-D241 VanDerWaalsContact C-N 3.33Å; F239-D241 PolarHBondContact O-N 2.88Å; D241-M243 VanDerWaalsContact C-N 3.33Å |
| 242 | Y | 53.3 | Low | 61.2 | Low | 174 Ų | 174 | 82.7 Ų | 82.7 | 68% | 0.682 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -74.7 | -22.2 | 176.8 | -100.8 | -79.6 | 0 | 0 | 0 | 113.4 | F239 D240 | F239-Y242 PolarHBondContact O-N 3.42Å; D240-Y242 VanDerWaalsContact C-N 3.27Å; D240-Y242 PolarHBondContact O-N 3.21Å |
| 243 | M | 50.5 | Low | 62.9 | Low | 43 Ų | 43 | 77.3 Ų | 77.3 | 21% | 0.212 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -94.2 | -12.7 | -175.9 | -67.3 | -66.5 | -91.3 | 0 | 0 | 113.3 | T217 F219 D220 F239 D240 D241 K245 | T217-M243 WeakPolarHBondContact O-CE 3.38Å; T217-M243 PolarHBondContact OG1-O 3.33Å; F219-M243 HydrophobicContact CB-SD 3.99Å; F219-M243 PolarHBondContact N-SD 2.94Å; D220-M243 HydrophobicContact CB-CE 4.2Å; D220-M243 VanDerWaalsContact N-CE 3.29Å; D220-M243 PolarHBondContact N-SD 3.34Å; D220-M243 VanDerWaalsContact N-SD 3.43Å; F239-M243 HydrophobicContact CE1-CG 3.66Å; F239-M243 HydrophobicContact CZ-CG 3.6Å; F239-M243 HydrophobicContact CZ-SD 4.07Å; D240-M243 PolarHBondContact O-N 3.1Å; D241-M243 VanDerWaalsContact C-N 3.33Å; M243-K245 PolarHBondContact O-N 3.08Å |
| 244 | D | 53.9 | Low | 64.9 | Low | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | trans | -81.2 | 110.7 | -175.9 | -162.6 | -6.1 | 0 | 0 | 0 | 112.9 | H165 D240 C246 R248 | H165-D244 IonicContact CE1-OD2 2.86Å; H165-D244 PolarHBondContact CE1-OD2 3.14Å; H165-D244 IonicContact NE2-OD2 2.85Å; H165-D244 PolarHBondContact NE2-OD2 3.4Å; D240-D244 PolarHBondContact O-N 3.38Å; D244-C246 PolarHBondContact OD1-N 3.29Å; D244-R248 IonicContact OD1-CZ 2.87Å; D244-R248 IonicContact OD1-NE 2.74Å; D244-R248 IonicContact OD1-NH2 2.86Å; D244-R248 PolarHBondContact OD1-NH2 3.18Å; D244-R248 IonicContact OD2-CZ 2.65Å; D244-R248 IonicContact OD2-NE 2.65Å; D244-R248 PolarHBondContact OD2-NE 2.78Å; D244-R248 IonicContact OD2-NH2 3.09Å; D244-R248 PolarHBondContact OD2-NH2 3.25Å | ||
| 245 | K | 55.4 | Low | 66.9 | Low | 72 Ų | 72 | 67.9 Ų | 67.9 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | trans | -114.2 | 2.8 | -178.6 | -79 | 150.6 | 169 | -121 | 0 | 113.4 | T217 M243 N1575 D1576 | T217-K245 HydrophobicContact CG2-CD 3.72Å; M243-K245 PolarHBondContact O-N 3.08Å; K245-N1575 PolarHBondContact NZ-O 2.68Å; K245-N1575 VanDerWaalsContact NZ-O 3.13Å; K245-D1576 WeakPolarHBondContact CD-OD1 3.41Å; K245-D1576 WeakPolarHBondContact CE-OD1 3.37Å; K245-D1576 VanDerWaalsContact NZ-CA 3.3Å; K245-D1576 IonicContact NZ-OD1 2.76Å; K245-D1576 PolarHBondContact NZ-OD1 2.78Å | ||
| 246 | C | 59 | Low | 68.6 | Low | 50 Ų | 50 | 60.7 Ų | 60.7 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | trans | -75.7 | 134.4 | -172.2 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | E190 D244 R248 | E190-C246 VanDerWaalsContact CD-SG 3.6Å; E190-C246 HydrophobicContact CG-CB 3.71Å; E190-C246 WeakPolarHBondContact OE1-CB 3.48Å; E190-C246 PolarHBondContact OE1-SG 3.37Å; D244-C246 PolarHBondContact OD1-N 3.29Å; C246-R248 WeakPolarHBondContact O-CG 3.3Å; C246-R248 PolarHBondContact O-N 3.28Å | ||
| 247 | V | 65.7 | Low | 70.1 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | trans | -72.3 | 101.2 | 171.6 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | H191 | H191-V247 PolarHBondContact N-O 2.94Š| ||
| 248 | R | 77.2 | Confident | 71.3 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 161.3 | -178.1 | -60.3 | -170.5 | 174.9 | -66.4 | -5.6 | 111.7 | H165 L188 P189 D244 C246 N250 | H165-R248 VanDerWaalsContact O-CD 3.28Å; H165-R248 WeakPolarHBondContact O-CD 3.05Å; L188-R248 HydrophobicContact CB-CB 4.34Å; L188-R248 VanDerWaalsContact O-CD 3.31Å; L188-R248 WeakPolarHBondContact O-CD 3.14Å; L188-R248 PolarHBondContact O-NH1 3.19Å; P189-R248 WeakPolarHBondContact O-CA 3.21Å; D244-R248 IonicContact OD1-CZ 2.87Å; D244-R248 IonicContact OD1-NE 2.74Å; D244-R248 IonicContact OD1-NH2 2.86Å; D244-R248 PolarHBondContact OD1-NH2 3.18Å; D244-R248 IonicContact OD2-CZ 2.65Å; D244-R248 IonicContact OD2-NE 2.65Å; D244-R248 PolarHBondContact OD2-NE 2.78Å; D244-R248 IonicContact OD2-NH2 3.09Å; D244-R248 PolarHBondContact OD2-NH2 3.25Å; C246-R248 WeakPolarHBondContact O-CG 3.3Å; C246-R248 PolarHBondContact O-N 3.28Å; R248-N250 PolarHBondContact O-N 3.33Å |
| 249 | L | 83 | Confident | 72.4 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -65.1 | 119.6 | 179.8 | -69.3 | 173.3 | 0 | 0 | 0 | 111.4 | P189 C251 C266 Q270 L272 | P189-L249 HydrophobicContact CB-CD1 3.9Å; P189-L249 HydrophobicContact CG-CD1 4.18Å; P189-L249 WeakPolarHBondContact O-CG 3.29Å; P189-L249 PolarHBondContact O-N 3.07Å; L249-C251 PolarHBondContact O-N 3.32Å; L249-C266 HydrophobicContact CB-CB 4.38Å; L249-Q270 HydrophobicContact CD1-CB 4.35Å; L249-Q270 HydrophobicContact CD2-CB 4.06Å; L249-Q270 HydrophobicContact CD2-CG 3.62Å; L249-L272 HydrophobicContact CD1-CD1 3.93Å; L249-L272 HydrophobicContact CD1-CD2 3.72Å; L249-L272 HydrophobicContact CD1-CG 4.32Å | ||
| 250 | N | 84.9 | Confident | 73.7 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | trans | -77.1 | 105.9 | 175.7 | -172.9 | 24.5 | 0 | 0 | 0 | 110.9 | H164 R248 C266 E267 | H164-N250 PolarHBondContact CE1-OD1 2.93Å; H164-N250 VanDerWaalsContact CE1-OD1 3.27Å; H164-N250 PolarHBondContact ND1-OD1 3.22Å; R248-N250 PolarHBondContact O-N 3.33Å; N250-C266 CarbonylContact O-C 3.51Å; N250-C266 WeakPolarHBondContact O-CA 3.29Å; N250-C266 WeakPolarHBondContact O-CB 3.47Å; N250-E267 HydrophobicContact CB-CB 4.35Å; N250-E267 PolarHBondContact ND2-OE2 3.02Å; N250-E267 PolarHBondContact O-N 3.2Å | ||
| 251 | C | 89.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.2 | -179.5 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | T147 T162 L249 I264 | T147-C251 VanDerWaalsContact CB-O 3.23Å; T147-C251 WeakPolarHBondContact CB-O 3.4Å; T147-C251 PolarHBondContact OG1-O 3.04Å; T147-C251 VanDerWaalsContact OG1-O 3.05Å; T162-C251 HydrophobicContact CG2-CB 4.13Å; T162-C251 WeakPolarHBondContact OG1-CB 3.27Å; L249-C251 PolarHBondContact O-N 3.32Å; C251-I264 HydrophobicContact CB-CG2 3.66Å; C251-I264 WeakPolarHBondContact SG-CG2 3.37Å |
| 252 | V | 87.6 | Confident | 77.1 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -28.7 | -176.9 | -175.7 | 0 | 0 | 0 | 0 | 112 | G265 E267 T315 | V252-G265 PolarHBondContact N-O 3.23Å; V252-E267 HydrophobicContact CG2-CB 3.73Å; V252-T315 HydrophobicContact CG1-CG2 4.1Å |
| 253 | S | 88.7 | Confident | 79 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.6 | -177.3 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | I264 G265 L314 T315 L317 | S253-I264 CarbonylContact O-C 3.46Å; S253-I264 WeakPolarHBondContact O-CA 3.41Å; S253-G265 PolarHBondContact N-O 2.9Å; S253-G265 VanDerWaalsContact N-O 3.16Å; S253-G265 PolarHBondContact O-N 2.88Å; S253-L314 PolarHBondContact OG-O 2.96Å; S253-T315 WeakPolarHBondContact CB-O 3.32Å; S253-L317 VanDerWaalsContact OG-CD1 3.29Å; S253-L317 WeakPolarHBondContact OG-CD1 3.48Å; S253-L317 WeakPolarHBondContact OG-CG 3.3Å |
| 254 | Q | 91.9 | Very high | 81 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 146.1 | 175.3 | 66 | -172.6 | 3.3 | 0 | 0 | 111.8 | T148 F149 S150 L160 V262 F263 I264 | T148-Q254 PolarHBondContact OG1-NE2 3.36Å; T148-Q254 PolarHBondContact OG1-OE1 3.05Å; F149-Q254 VanDerWaalsContact N-NE2 3.16Å; F149-Q254 PolarHBondContact O-NE2 2.74Å; S150-Q254 VanDerWaalsContact OG-CD 3.31Å; S150-Q254 PolarHBondContact OG-NE2 3.17Å; L160-Q254 PolarHBondContact O-NE2 3.21Å; L160-Q254 VanDerWaalsContact O-NE2 3.12Å; Q254-V262 HydrophobicContact CB-CG1 4.05Å; Q254-F263 CarbonylContact C-O 3.6Å; Q254-F263 WeakPolarHBondContact CA-O 3.44Å; Q254-I264 HydrophobicContact CB-CG1 4.36Å |
| 255 | T | 89.7 | Confident | 82.7 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137.1 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | F263 L317 Y319 L324 | T255-F263 HydrophobicContact CG2-CB 3.9Å; T255-F263 HydrophobicContact CG2-CD2 4.43Å; T255-F263 PolarHBondContact N-O 2.85Å; T255-F263 PolarHBondContact O-N 3.03Å; T255-L317 HydrophobicContact CG2-CB 3.87Å; T255-Y319 PolarHBondContact OG1-N 3.4Å; T255-Y319 VanDerWaalsContact OG1-N 3.13Å; T255-L324 HydrophobicContact CG2-CD1 3.44Å; T255-L324 VanDerWaalsContact CG2-CD1 3.44Å |
| 256 | W | 89.6 | Confident | 84.3 | Confident | 19 Ų | 19 | 29 Ų | 29 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 149.5 | -179.7 | -66.8 | 80 | 0 | 0 | 0 | 112 | S150 F151 C152 P153 L160 L261 V262 P276 | S150-W256 PolarHBondContact OG-NE1 3.31Å; F151-W256 PolarHBondContact O-NE1 3.49Å; C152-W256 HydrophobicContact CB-CD2 4.11Å; C152-W256 HydrophobicContact CB-CE3 3.77Å; C152-W256 HydrophobicContact CB-CH2 3.6Å; C152-W256 HydrophobicContact CB-CZ2 3.91Å; C152-W256 HydrophobicContact CB-CZ3 3.5Å; P153-W256 HydrophobicContact CG-CB 3.65Å; P153-W256 HydrophobicContact CG-CG 4.05Å; L160-W256 HydrophobicContact CB-CH2 4.13Å; L160-W256 HydrophobicContact CB-CZ2 3.49Å; L160-W256 VanDerWaalsContact CB-CZ2 3.49Å; W256-L261 CarbonylContact C-O 3.59Å; W256-L261 WeakPolarHBondContact CA-O 3.49Å; W256-V262 HydrophobicContact CD2-CG2 3.4Å; W256-V262 VanDerWaalsContact CD2-CG2 3.4Å; W256-V262 HydrophobicContact CE3-CG2 3.31Å; W256-V262 HydrophobicContact CG-CG2 4.11Å; W256-V262 HydrophobicContact CH2-CG2 3.72Å; W256-V262 HydrophobicContact CZ2-CG2 3.83Å; W256-V262 HydrophobicContact CZ3-CG2 3.47Å; W256-V262 VanDerWaalsContact CZ3-CG2 3.47Å; W256-P276 HydrophobicContact CH2-CB 4.25Å; W256-P276 HydrophobicContact CH2-CG 3.65Å; W256-P276 HydrophobicContact CZ3-CB 4.5Å; W256-P276 HydrophobicContact CZ3-CG 3.45Å; W256-P276 VanDerWaalsContact CZ3-CG 3.45Å |
| 257 | T | 84.8 | Confident | 85.4 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | trans | -91.7 | 167.4 | 166.9 | 73.9 | 0 | 0 | 0 | 0 | 111 | S259 K260 L261 F263 Y319 | T257-S259 PolarHBondContact O-N 3.38Å; T257-S259 PolarHBondContact OG1-N 3.44Å; T257-S259 VanDerWaalsContact OG1-N 3.15Å; T257-S259 PolarHBondContact OG1-OG 3.2Å; T257-K260 PolarHBondContact O-N 3.17Å; T257-L261 HydrophobicContact CG2-CB 4.16Å; T257-L261 PolarHBondContact N-O 2.95Å; T257-L261 WeakPolarHBondContact OG1-CB 3.41Å; T257-L261 PolarHBondContact OG1-N 3.27Å; T257-L261 VanDerWaalsContact OG1-N 3.11Å; T257-L261 PolarHBondContact OG1-O 2.94Å; T257-F263 HydrophobicContact CG2-CD2 3.73Å; T257-F263 HydrophobicContact CG2-CE2 3.35Å; T257-F263 HydrophobicContact CG2-CZ 4.37Å; T257-Y319 HydrophobicContact CG2-CD1 4.46Å; T257-Y319 HydrophobicContact CG2-CD2 4.33Å; T257-Y319 HydrophobicContact CG2-CE1 4.36Å; T257-Y319 HydrophobicContact CG2-CE2 4.23Å; T257-Y319 HydrophobicContact CG2-CG 4.44Å | ||
| 258 | N | 77.4 | Confident | 86 | Confident | 117 Ų | 117 | 25 Ų | 25 | 63% | 0.626 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.8 | 169.9 | 60.8 | -11.1 | 0 | 0 | 0 | 113.7 | ||
| 259 | S | 77.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 23.5 Ų | 23.5 | 31% | 0.308 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 20.1 | 178.6 | 66 | 0 | 0 | 0 | 0 | 113.2 | T257 L261 | T257-S259 PolarHBondContact O-N 3.38Å; T257-S259 PolarHBondContact OG1-N 3.44Å; T257-S259 VanDerWaalsContact OG1-N 3.15Å; T257-S259 PolarHBondContact OG1-OG 3.2Å; S259-L261 PolarHBondContact O-N 2.93Å |
| 260 | K | 82.6 | Confident | 86.2 | Confident | 58 Ų | 58 | 23.4 Ų | 23.4 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 62.7 | 12.7 | -176.7 | -58.6 | -175.3 | -178.7 | -168.9 | 0 | 115.2 | T154 D155 T257 P276 I277 | T154-K260 WeakPolarHBondContact OG1-CG 3.41Å; D155-K260 IonicContact OD2-NZ 3.69Å; D155-K260 PolarHBondContact OD2-NZ 3.14Å; T257-K260 PolarHBondContact O-N 3.17Å; K260-P276 WeakPolarHBondContact O-CD 3.49Å; K260-P276 VanDerWaalsContact O-CG 3.3Å; K260-P276 WeakPolarHBondContact O-CG 3.41Å; K260-I277 HydrophobicContact CB-CD1 4.1Å; K260-I277 HydrophobicContact CD-CD1 3.52Å; K260-I277 HydrophobicContact CG-CD1 4.44Å |
| 261 | L | 87.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | trans | -86.9 | 159 | 172.5 | -56.6 | 174.3 | 0 | 0 | 0 | 110.1 | W256 T257 S259 L273 F274 D275 Y375 L376 | W256-L261 CarbonylContact C-O 3.59Å; W256-L261 WeakPolarHBondContact CA-O 3.49Å; T257-L261 HydrophobicContact CG2-CB 4.16Å; T257-L261 PolarHBondContact N-O 2.95Å; T257-L261 WeakPolarHBondContact OG1-CB 3.41Å; T257-L261 PolarHBondContact OG1-N 3.27Å; T257-L261 VanDerWaalsContact OG1-N 3.11Å; T257-L261 PolarHBondContact OG1-O 2.94Å; S259-L261 PolarHBondContact O-N 2.93Å; L261-L273 HydrophobicContact CB-CD1 3.87Å; L261-L273 HydrophobicContact CD1-CD1 4.38Å; L261-L273 HydrophobicContact CD1-CD2 4.36Å; L261-F274 CarbonylContact C-O 3.53Å; L261-F274 WeakPolarHBondContact CA-O 3.37Å; L261-D275 HydrophobicContact CD2-CB 3.46Å; L261-D275 VanDerWaalsContact CD2-CB 3.46Å; L261-Y375 HydrophobicContact CD1-CD1 3.32Å; L261-Y375 HydrophobicContact CD1-CE1 3.97Å; L261-Y375 HydrophobicContact CD1-CG 4.1Å; L261-L376 HydrophobicContact CD2-CD1 4.15Å | ||
| 262 | V | 90.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.1 | -178.1 | -170 | 0 | 0 | 0 | 0 | 110.8 | L160 Q254 W256 I264 L273 F274 P276 | L160-V262 HydrophobicContact CD2-CB 3.94Å; L160-V262 HydrophobicContact CD2-CG1 3.62Å; L160-V262 HydrophobicContact CD2-CG2 3.9Å; Q254-V262 HydrophobicContact CB-CG1 4.05Å; W256-V262 HydrophobicContact CD2-CG2 3.4Å; W256-V262 VanDerWaalsContact CD2-CG2 3.4Å; W256-V262 HydrophobicContact CE3-CG2 3.31Å; W256-V262 HydrophobicContact CG-CG2 4.11Å; W256-V262 HydrophobicContact CH2-CG2 3.72Å; W256-V262 HydrophobicContact CZ2-CG2 3.83Å; W256-V262 HydrophobicContact CZ3-CG2 3.47Å; W256-V262 VanDerWaalsContact CZ3-CG2 3.47Å; V262-I264 HydrophobicContact CG1-CG1 4Å; V262-L273 CarbonylContact O-C 3.49Å; V262-L273 WeakPolarHBondContact O-CA 3.44Å; V262-F274 PolarHBondContact N-O 3.27Å; V262-F274 PolarHBondContact O-N 2.86Å; V262-P276 HydrophobicContact CG2-CG 4.26Å |
| 263 | F | 91.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.2 | 165.3 | -68.9 | -80.6 | 0 | 0 | 0 | 109.3 | Q254 T255 T257 L271 L272 L273 L284 Y319 L324 L338 | Q254-F263 CarbonylContact C-O 3.6Å; Q254-F263 WeakPolarHBondContact CA-O 3.44Å; T255-F263 HydrophobicContact CG2-CB 3.9Å; T255-F263 HydrophobicContact CG2-CD2 4.43Å; T255-F263 PolarHBondContact N-O 2.85Å; T255-F263 PolarHBondContact O-N 3.03Å; T257-F263 HydrophobicContact CG2-CD2 3.73Å; T257-F263 HydrophobicContact CG2-CE2 3.35Å; T257-F263 HydrophobicContact CG2-CZ 4.37Å; F263-L271 HydrophobicContact CB-CD1 4.45Å; F263-L271 HydrophobicContact CD1-CD2 4.3Å; F263-L271 HydrophobicContact CD1-CG 4.46Å; F263-L272 CarbonylContact C-O 3.55Å; F263-L272 VanDerWaalsContact CA-O 3.28Å; F263-L272 WeakPolarHBondContact CA-O 3.31Å; F263-L273 HydrophobicContact CD1-CD1 3.9Å; F263-L273 HydrophobicContact CD2-CD1 4.33Å; F263-L273 HydrophobicContact CE1-CD1 3.74Å; F263-L273 HydrophobicContact CE2-CD1 4.18Å; F263-L273 HydrophobicContact CG-CD1 4.19Å; F263-L273 HydrophobicContact CZ-CD1 3.86Å; F263-L284 HydrophobicContact CD1-CD1 3.9Å; F263-L284 HydrophobicContact CE1-CD1 3.45Å; F263-L284 VanDerWaalsContact CE1-CD1 3.45Å; F263-Y319 HydrophobicContact CD2-CD2 4.18Å; F263-Y319 AromaticContact CE2-CD2 3.75Å; F263-Y319 HydrophobicContact CE2-CD2 3.75Å; F263-Y319 AromaticContact CE2-CE2 3.93Å; F263-Y319 HydrophobicContact CE2-CE2 3.93Å; F263-L324 HydrophobicContact CB-CD1 4.36Å; F263-L324 HydrophobicContact CB-CD2 4.24Å; F263-L324 HydrophobicContact CD1-CD2 4.09Å; F263-L324 HydrophobicContact CD2-CD1 4.39Å; F263-L324 HydrophobicContact CG-CD1 4.4Å; F263-L324 HydrophobicContact CG-CD2 4.12Å; F263-L338 HydrophobicContact CE1-CD1 4.16Å; F263-L338 HydrophobicContact CE1-CD2 4.13Å; F263-L338 HydrophobicContact CE2-CD1 3.98Å; F263-L338 HydrophobicContact CZ-CD1 3.45Å; F263-L338 VanDerWaalsContact CZ-CD1 3.45Å; F263-L338 HydrophobicContact CZ-CD2 4.16Å; F263-L338 HydrophobicContact CZ-CG 4.46Å |
| 264 | I | 92.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.3 | 178.8 | -53.4 | 171.9 | 0 | 0 | 0 | 108.5 | L160 T162 C251 S253 Q254 V262 L272 F274 | L160-I264 HydrophobicContact CD2-CD1 4.21Å; T162-I264 HydrophobicContact CG2-CD1 4.16Å; C251-I264 HydrophobicContact CB-CG2 3.66Å; C251-I264 WeakPolarHBondContact SG-CG2 3.37Å; S253-I264 CarbonylContact O-C 3.46Å; S253-I264 WeakPolarHBondContact O-CA 3.41Å; Q254-I264 HydrophobicContact CB-CG1 4.36Å; V262-I264 HydrophobicContact CG1-CG1 4Å; I264-L272 HydrophobicContact CB-CB 4.22Å; I264-L272 PolarHBondContact N-O 2.91Å; I264-L272 PolarHBondContact O-N 3.36Å; I264-F274 HydrophobicContact CD1-CB 4.01Å |
| 265 | G | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V252 S253 L317 | V252-G265 PolarHBondContact N-O 3.23Å; S253-G265 PolarHBondContact N-O 2.9Å; S253-G265 VanDerWaalsContact N-O 3.16Å; S253-G265 PolarHBondContact O-N 2.88Å; G265-L317 VanDerWaalsContact N-CD1 3.31Å |
| 266 | C | 89.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 157.5 | -177.6 | -54.2 | 0 | 0 | 0 | 0 | 112 | L249 N250 G268 G269 Q270 | L249-C266 HydrophobicContact CB-CB 4.38Å; N250-C266 CarbonylContact O-C 3.51Å; N250-C266 WeakPolarHBondContact O-CA 3.29Å; N250-C266 WeakPolarHBondContact O-CB 3.47Å; C266-G268 VanDerWaalsContact C-N 3.3Å; C266-G268 PolarHBondContact O-N 2.79Å; C266-G269 PolarHBondContact O-N 3.07Å; C266-G269 VanDerWaalsContact O-N 3.09Å; C266-Q270 HydrophobicContact CB-CB 4.09Å; C266-Q270 PolarHBondContact N-O 3.31Å |
| 267 | E | 82.4 | Confident | 85.8 | Confident | 73 Ų | 73 | 21.3 Ų | 21.3 | 34% | 0.341 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -40 | -177.2 | -173.1 | 170 | -172.4 | 0 | 0 | 112.8 | N250 V252 G269 G312 R329 | N250-E267 HydrophobicContact CB-CB 4.35Å; N250-E267 PolarHBondContact ND2-OE2 3.02Å; N250-E267 PolarHBondContact O-N 3.2Å; V252-E267 HydrophobicContact CG2-CB 3.73Å; E267-G269 PolarHBondContact O-N 3.24Å; E267-G269 VanDerWaalsContact O-N 3.13Å; E267-G312 PolarHBondContact O-N 3.32Å; E267-G312 VanDerWaalsContact O-N 3.17Å; E267-R329 IonicContact OE1-CZ 2.94Å; E267-R329 IonicContact OE1-NH1 3.09Å; E267-R329 IonicContact OE1-NH2 2.95Å; E267-R329 PolarHBondContact OE1-NH2 3.01Å |
| 268 | G | 77.3 | Confident | 85.6 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 5.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | C266 | C266-G268 VanDerWaalsContact C-N 3.3Å; C266-G268 PolarHBondContact O-N 2.79Å |
| 269 | G | 80.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 84.7 | 12.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C266 E267 L285 L310 L314 | C266-G269 PolarHBondContact O-N 3.07Å; C266-G269 VanDerWaalsContact O-N 3.09Å; E267-G269 PolarHBondContact O-N 3.24Å; E267-G269 VanDerWaalsContact O-N 3.13Å; G269-L285 VanDerWaalsContact O-CD2 3.3Å; G269-L285 WeakPolarHBondContact O-CD2 3.46Å; G269-L310 VanDerWaalsContact CA-O 3.31Å; G269-L310 WeakPolarHBondContact CA-O 3.44Å; G269-L314 VanDerWaalsContact C-CD1 3.49Å; G269-L314 WeakPolarHBondContact O-CD1 3.31Å |
| 270 | Q | 85.5 | Confident | 86.1 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | trans | -79.3 | 140 | 173.3 | -56.1 | 82.4 | -0.6 | 0 | 0 | 111.9 | H191 L249 C266 L285 N286 L314 | H191-Q270 PolarHBondContact CD2-NE2 3.49Å; H191-Q270 PolarHBondContact CE1-NE2 2.92Å; H191-Q270 PolarHBondContact NE2-NE2 3.11Å; L249-Q270 HydrophobicContact CD1-CB 4.35Å; L249-Q270 HydrophobicContact CD2-CB 4.06Å; L249-Q270 HydrophobicContact CD2-CG 3.62Å; C266-Q270 HydrophobicContact CB-CB 4.09Å; C266-Q270 PolarHBondContact N-O 3.31Å; Q270-L285 VanDerWaalsContact CA-O 3.23Å; Q270-L285 WeakPolarHBondContact CA-O 3.44Å; Q270-N286 HydrophobicContact CG-CB 4.37Å; Q270-L314 WeakPolarHBondContact O-CD1 3.43Å | ||
| 271 | L | 87.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.6 | 175.3 | -172.9 | 71.2 | 0 | 0 | 0 | 110.1 | F263 L284 L285 L314 L317 L324 L336 I381 | F263-L271 HydrophobicContact CB-CD1 4.45Å; F263-L271 HydrophobicContact CD1-CD2 4.3Å; F263-L271 HydrophobicContact CD1-CG 4.46Å; L271-L284 HydrophobicContact CD2-CB 4.37Å; L271-L284 HydrophobicContact CD2-CD1 4.22Å; L271-L284 PolarHBondContact O-N 3.3Å; L271-L285 HydrophobicContact CB-CB 3.8Å; L271-L285 PolarHBondContact N-O 2.94Å; L271-L285 PolarHBondContact O-N 3.42Å; L271-L314 HydrophobicContact CB-CD1 4.05Å; L271-L314 HydrophobicContact CD1-CD1 4.39Å; L271-L317 HydrophobicContact CD1-CD1 3.89Å; L271-L317 HydrophobicContact CD1-CD2 4.44Å; L271-L324 HydrophobicContact CD1-CD2 3.77Å; L271-L324 HydrophobicContact CD2-CD2 3.7Å; L271-L324 HydrophobicContact CG-CD2 4.38Å; L271-L336 HydrophobicContact CD2-CD1 4.18Å; L271-I381 HydrophobicContact CD2-CD1 4.04Å |
| 272 | L | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.4 | 179.6 | -44.7 | 174.3 | 0 | 0 | 0 | 109.6 | L249 F263 I264 L281 K282 I283 | L249-L272 HydrophobicContact CD1-CD1 3.93Å; L249-L272 HydrophobicContact CD1-CD2 3.72Å; L249-L272 HydrophobicContact CD1-CG 4.32Å; F263-L272 CarbonylContact C-O 3.55Å; F263-L272 VanDerWaalsContact CA-O 3.28Å; F263-L272 WeakPolarHBondContact CA-O 3.31Å; I264-L272 HydrophobicContact CB-CB 4.22Å; I264-L272 PolarHBondContact N-O 2.91Å; I264-L272 PolarHBondContact O-N 3.36Å; L272-L281 HydrophobicContact CB-CD1 4.29Å; L272-L281 HydrophobicContact CB-CG 4.48Å; L272-L281 HydrophobicContact CD1-CD1 4.21Å; L272-L281 HydrophobicContact CD2-CD2 4.27Å; L272-K282 CarbonylContact C-O 3.58Å; L272-I283 HydrophobicContact CD2-CB 4.33Å; L272-I283 HydrophobicContact CD2-CG1 3.8Å; L272-I283 HydrophobicContact CD2-CG2 4.25Å |
| 273 | L | 89.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.5 | 168.4 | 180 | 68.6 | 0 | 0 | 0 | 108.2 | L261 V262 F263 L281 K282 L284 L376 T379 | L261-L273 HydrophobicContact CB-CD1 3.87Å; L261-L273 HydrophobicContact CD1-CD1 4.38Å; L261-L273 HydrophobicContact CD1-CD2 4.36Å; V262-L273 CarbonylContact O-C 3.49Å; V262-L273 WeakPolarHBondContact O-CA 3.44Å; F263-L273 HydrophobicContact CD1-CD1 3.9Å; F263-L273 HydrophobicContact CD2-CD1 4.33Å; F263-L273 HydrophobicContact CE1-CD1 3.74Å; F263-L273 HydrophobicContact CE2-CD1 4.18Å; F263-L273 HydrophobicContact CG-CD1 4.19Å; F263-L273 HydrophobicContact CZ-CD1 3.86Å; L273-L281 CarbonylContact O-C 3.43Å; L273-L281 WeakPolarHBondContact O-CA 3.43Å; L273-K282 HydrophobicContact CB-CB 4.45Å; L273-K282 PolarHBondContact N-O 3.48Å; L273-K282 PolarHBondContact O-N 2.92Å; L273-L284 HydrophobicContact CB-CD1 3.73Å; L273-L284 HydrophobicContact CB-CG 4.02Å; L273-L284 HydrophobicContact CD2-CD1 4.44Å; L273-L376 HydrophobicContact CD2-CD1 4.06Å; L273-L376 HydrophobicContact CG-CD1 3.9Å; L273-T379 HydrophobicContact CD2-CG2 4.42Å; L273-T379 WeakPolarHBondContact CD2-OG1 3.33Å |
| 274 | F | 91 | Very high | 85.3 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.1 | -174.3 | 179.2 | -121.1 | 0 | 0 | 0 | 110.6 | L160 A167 V169 M186 L261 V262 I264 P276 M279 N280 L281 | L160-F274 HydrophobicContact CD1-CD1 3.87Å; L160-F274 HydrophobicContact CD1-CE1 3.55Å; L160-F274 HydrophobicContact CD2-CD1 4.17Å; A167-F274 HydrophobicContact CB-CE1 4.46Å; V169-F274 HydrophobicContact CG2-CE1 3.58Å; V169-F274 HydrophobicContact CG2-CZ 3.88Å; M186-F274 HydrophobicContact CB-CE2 4.41Å; M186-F274 HydrophobicContact CE-CD2 3.39Å; M186-F274 HydrophobicContact CE-CE2 3.16Å; M186-F274 HydrophobicContact CE-CG 4.43Å; M186-F274 HydrophobicContact CE-CZ 4.04Å; M186-F274 HydrophobicContact SD-CD2 4.05Å; M186-F274 HydrophobicContact SD-CE2 3.46Å; M186-F274 WeakPolarHBondContact SD-CE2 3.08Å; M186-F274 HydrophobicContact SD-CZ 4.43Å; L261-F274 CarbonylContact C-O 3.53Å; L261-F274 WeakPolarHBondContact CA-O 3.37Å; V262-F274 PolarHBondContact N-O 3.27Å; V262-F274 PolarHBondContact O-N 2.86Å; I264-F274 HydrophobicContact CD1-CB 4.01Å; F274-P276 HydrophobicContact CD1-CB 4.31Å; F274-P276 HydrophobicContact CE1-CB 3.84Å; F274-P276 WeakPolarHBondContact O-CD 3.31Å; F274-M279 HydrophobicContact CE2-SD 4.25Å; F274-M279 HydrophobicContact CZ-SD 3.66Å; F274-N280 WeakPolarHBondContact CD2-O 3.37Å; F274-L281 HydrophobicContact CB-CD1 4.5Å; F274-L281 HydrophobicContact CD2-CB 4.15Å; F274-L281 HydrophobicContact CD2-CD1 4.28Å |
| 275 | D | 87.9 | Confident | 84.7 | Confident | 29 Ų | 29 | 19.5 Ų | 19.5 | 16% | 0.155 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 104.3 | 168.4 | -176.8 | -0.7 | 0 | 0 | 0 | 109.7 | L261 I277 S278 M279 N280 L376 | L261-D275 HydrophobicContact CD2-CB 3.46Å; L261-D275 VanDerWaalsContact CD2-CB 3.46Å; D275-I277 PolarHBondContact O-N 3.3Å; D275-I277 PolarHBondContact OD1-N 3.36Å; D275-S278 WeakPolarHBondContact CB-OG 3.38Å; D275-S278 PolarHBondContact OD1-N 3.38Å; D275-S278 VanDerWaalsContact OD2-CB 3.27Å; D275-S278 WeakPolarHBondContact OD2-CB 3.4Å; D275-S278 PolarHBondContact OD2-OG 2.71Å; D275-M279 VanDerWaalsContact O-CA 3.25Å; D275-M279 WeakPolarHBondContact O-CA 3.43Å; D275-M279 PolarHBondContact O-N 3.05Å; D275-N280 PolarHBondContact N-O 3.33Å; D275-N280 PolarHBondContact O-N 2.92Å; D275-L376 HydrophobicContact CB-CD1 4Å |
| 276 | P | 84.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.4 | -179.2 | 25.7 | -29.9 | 0 | 0 | 0 | 113.9 | V169 W256 K260 V262 F274 | V169-P276 HydrophobicContact CG1-CB 3.95Å; V169-P276 HydrophobicContact CG2-CB 3.72Å; W256-P276 HydrophobicContact CH2-CB 4.25Å; W256-P276 HydrophobicContact CH2-CG 3.65Å; W256-P276 HydrophobicContact CZ3-CB 4.5Å; W256-P276 HydrophobicContact CZ3-CG 3.45Å; W256-P276 VanDerWaalsContact CZ3-CG 3.45Å; K260-P276 WeakPolarHBondContact O-CD 3.49Å; K260-P276 VanDerWaalsContact O-CG 3.3Å; K260-P276 WeakPolarHBondContact O-CG 3.41Å; V262-P276 HydrophobicContact CG2-CG 4.26Å; F274-P276 HydrophobicContact CD1-CB 4.31Å; F274-P276 HydrophobicContact CE1-CB 3.84Å; F274-P276 WeakPolarHBondContact O-CD 3.31Å |
| 277 | I | 82.7 | Confident | 83.1 | Confident | 91 Ų | 91 | 21.9 Ų | 21.9 | 47% | 0.467 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -47.6 | 177.2 | -64.3 | 170.5 | 0 | 0 | 0 | 110.2 | K260 D275 | K260-I277 HydrophobicContact CB-CD1 4.1Å; K260-I277 HydrophobicContact CD-CD1 3.52Å; K260-I277 HydrophobicContact CG-CD1 4.44Å; D275-I277 PolarHBondContact O-N 3.3Å; D275-I277 PolarHBondContact OD1-N 3.36Å |
| 278 | S | 79.8 | Confident | 82.2 | Confident | 52 Ų | 52 | 20.9 Ų | 20.9 | 36% | 0.364 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5 | -180 | 71.2 | 0 | 0 | 0 | 0 | 114 | D275 N280 | D275-S278 WeakPolarHBondContact CB-OG 3.38Å; D275-S278 PolarHBondContact OD1-N 3.38Å; D275-S278 VanDerWaalsContact OD2-CB 3.27Å; D275-S278 WeakPolarHBondContact OD2-CB 3.4Å; D275-S278 PolarHBondContact OD2-OG 2.71Å; S278-N280 VanDerWaalsContact CB-ND2 3.3Å; S278-N280 WeakPolarHBondContact CB-ND2 3.39Å; S278-N280 PolarHBondContact O-N 3.38Å; S278-N280 PolarHBondContact O-ND2 3.39Å; S278-N280 PolarHBondContact OG-ND2 2.92Å |
| 279 | M | 82.5 | Confident | 81 | Confident | 45 Ų | 45 | 21.6 Ų | 21.6 | 22% | 0.222 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 35.1 | -174.8 | -71.7 | -72.1 | 177.2 | 0 | 0 | 113 | V169 N184 M186 F274 D275 | V169-M279 HydrophobicContact CB-CE 3.45Å; V169-M279 VanDerWaalsContact CB-CE 3.45Å; V169-M279 HydrophobicContact CG1-CE 4.22Å; V169-M279 HydrophobicContact CG2-CE 3.39Å; V169-M279 HydrophobicContact CG2-SD 4.11Å; N184-M279 HydrophobicContact CB-CE 3.23Å; M186-M279 HydrophobicContact CB-SD 4.18Å; M186-M279 VanDerWaalsContact SD-O 3.4Å; F274-M279 HydrophobicContact CE2-SD 4.25Å; F274-M279 HydrophobicContact CZ-SD 3.66Å; D275-M279 VanDerWaalsContact O-CA 3.25Å; D275-M279 WeakPolarHBondContact O-CA 3.43Å; D275-M279 PolarHBondContact O-N 3.05Å |
| 280 | N | 83 | Confident | 79.1 | Confident | 41 Ų | 41 | 28 Ų | 28 | 22% | 0.219 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.7 | 178.5 | -70.5 | -54.6 | 0 | 0 | 0 | 110.6 | F274 D275 S278 L376 | F274-N280 WeakPolarHBondContact CD2-O 3.37Å; D275-N280 PolarHBondContact N-O 3.33Å; D275-N280 PolarHBondContact O-N 2.92Å; S278-N280 VanDerWaalsContact CB-ND2 3.3Å; S278-N280 WeakPolarHBondContact CB-ND2 3.39Å; S278-N280 PolarHBondContact O-N 3.38Å; S278-N280 PolarHBondContact O-ND2 3.39Å; S278-N280 PolarHBondContact OG-ND2 2.92Å; N280-L376 HydrophobicContact CB-CD2 3.56Å |
| 281 | L | 85.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.3 | 178.2 | -172.6 | 140.9 | 0 | 0 | 0 | 110.8 | M186 P189 P197 Y198 L272 L273 F274 I283 | M186-L281 HydrophobicContact CE-CB 3.72Å; M186-L281 HydrophobicContact CE-CD1 3.44Å; M186-L281 VanDerWaalsContact CE-CD1 3.44Å; M186-L281 HydrophobicContact CE-CG 4.2Å; M186-L281 HydrophobicContact SD-CB 4.03Å; P189-L281 HydrophobicContact CG-CD1 4.43Å; P189-L281 HydrophobicContact CG-CD2 3.6Å; P197-L281 CarbonylContact C-O 3.56Å; P197-L281 WeakPolarHBondContact CA-O 3.2Å; Y198-L281 HydrophobicContact CD1-CB 4.23Å; Y198-L281 HydrophobicContact CD1-CD2 4.13Å; Y198-L281 HydrophobicContact CG-CD2 4.17Å; Y198-L281 PolarHBondContact N-O 2.67Å; Y198-L281 PolarHBondContact O-N 2.66Å; Y198-L281 VanDerWaalsContact O-O 3.11Å; L272-L281 HydrophobicContact CB-CD1 4.29Å; L272-L281 HydrophobicContact CB-CG 4.48Å; L272-L281 HydrophobicContact CD1-CD1 4.21Å; L272-L281 HydrophobicContact CD2-CD2 4.27Å; L273-L281 CarbonylContact O-C 3.43Å; L273-L281 WeakPolarHBondContact O-CA 3.43Å; F274-L281 HydrophobicContact CB-CD1 4.5Å; F274-L281 HydrophobicContact CD2-CB 4.15Å; F274-L281 HydrophobicContact CD2-CD1 4.28Å; L281-I283 HydrophobicContact CD2-CG1 3.92Å |
| 282 | K | 83.9 | Confident | 73.4 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.8 | 172 | -177.8 | -179.3 | -179.1 | -175.3 | 0 | 109.4 | G196 L272 L273 L284 L376 F377 T379 | G196-K282 CarbonylContact O-C 3.58Å; G196-K282 WeakPolarHBondContact O-CA 3.3Å; L272-K282 CarbonylContact C-O 3.58Å; L273-K282 HydrophobicContact CB-CB 4.45Å; L273-K282 PolarHBondContact N-O 3.48Å; L273-K282 PolarHBondContact O-N 2.92Å; K282-L284 HydrophobicContact CD-CD2 3.9Å; K282-L284 HydrophobicContact CG-CD2 4.22Å; K282-L376 HydrophobicContact CB-CD2 4.49Å; K282-L376 HydrophobicContact CB-CG 4.22Å; K282-L376 WeakPolarHBondContact CD-O 3.08Å; K282-F377 PolarHBondContact NZ-O 3.49Å; K282-T379 PolarHBondContact NZ-O 2.82Å |
| 283 | I | 84.8 | Confident | 70.5 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112.9 | 173.7 | -57.2 | 166.2 | 0 | 0 | 0 | 107.4 | P189 V193 L195 G196 L272 L281 N286 | P189-I283 HydrophobicContact CB-CD1 4.11Å; P189-I283 HydrophobicContact CG-CD1 4.18Å; P189-I283 HydrophobicContact CG-CG1 4.36Å; V193-I283 HydrophobicContact CB-CD1 3.6Å; V193-I283 HydrophobicContact CG1-CD1 3.28Å; L195-I283 HydrophobicContact CD2-CG2 4.24Å; G196-I283 PolarHBondContact N-O 3.12Å; G196-I283 VanDerWaalsContact N-O 3.08Å; G196-I283 PolarHBondContact O-N 2.78Å; L272-I283 HydrophobicContact CD2-CB 4.33Å; L272-I283 HydrophobicContact CD2-CG1 3.8Å; L272-I283 HydrophobicContact CD2-CG2 4.25Å; L281-I283 HydrophobicContact CD2-CG1 3.92Å; I283-N286 HydrophobicContact CG2-CB 4.25Å |
| 284 | L | 81.2 | Confident | 67.6 | Low | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -31.6 | -178.2 | -68 | 177.9 | 0 | 0 | 0 | 112.8 | F263 L271 L273 K282 T379 I381 | F263-L284 HydrophobicContact CD1-CD1 3.9Å; F263-L284 HydrophobicContact CE1-CD1 3.45Å; F263-L284 VanDerWaalsContact CE1-CD1 3.45Å; L271-L284 HydrophobicContact CD2-CB 4.37Å; L271-L284 HydrophobicContact CD2-CD1 4.22Å; L271-L284 PolarHBondContact O-N 3.3Å; L273-L284 HydrophobicContact CB-CD1 3.73Å; L273-L284 HydrophobicContact CB-CG 4.02Å; L273-L284 HydrophobicContact CD2-CD1 4.44Å; K282-L284 HydrophobicContact CD-CD2 3.9Å; K282-L284 HydrophobicContact CG-CD2 4.22Å; L284-T379 VanDerWaalsContact CD2-O 3.29Å; L284-T379 WeakPolarHBondContact CD2-O 3.38Å; L284-I381 HydrophobicContact CB-CD1 4.18Å; L284-I381 HydrophobicContact CB-CG1 4.49Å |
| 285 | L | 80 | Confident | 64.5 | Low | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 128.9 | -179.7 | -172.9 | 81.3 | 0 | 0 | 0 | 109.3 | G269 Q270 L271 V307 L310 I381 | G269-L285 VanDerWaalsContact O-CD2 3.3Å; G269-L285 WeakPolarHBondContact O-CD2 3.46Å; Q270-L285 VanDerWaalsContact CA-O 3.23Å; Q270-L285 WeakPolarHBondContact CA-O 3.44Å; L271-L285 HydrophobicContact CB-CB 3.8Å; L271-L285 PolarHBondContact N-O 2.94Å; L271-L285 PolarHBondContact O-N 3.42Å; L285-V307 HydrophobicContact CD1-CG1 3.4Å; L285-V307 VanDerWaalsContact CD1-CG1 3.4Å; L285-L310 HydrophobicContact CD2-CB 4.21Å; L285-L310 HydrophobicContact CD2-CD1 3.44Å; L285-L310 VanDerWaalsContact CD2-CD1 3.44Å; L285-L310 HydrophobicContact CD2-CG 4.46Å; L285-I381 HydrophobicContact CB-CD1 3.95Å; L285-I381 HydrophobicContact CD1-CD1 4.31Å |
| 286 | N | 79.1 | Confident | 61.5 | Low | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | trans | -136.5 | 111.8 | 166.3 | -172.9 | -2.5 | 0 | 0 | 0 | 108.8 | H191 V193 L195 Q270 I283 A288 S289 | H191-N286 PolarHBondContact O-ND2 2.97Å; V193-N286 PolarHBondContact O-ND2 2.9Å; L195-N286 HydrophobicContact CD2-CB 4.29Å; Q270-N286 HydrophobicContact CG-CB 4.37Å; I283-N286 HydrophobicContact CG2-CB 4.25Å; N286-A288 PolarHBondContact O-N 3.48Å; N286-A288 VanDerWaalsContact O-N 3.13Å; N286-A288 WeakPolarHBondContact OD1-CB 3.46Å; N286-A288 PolarHBondContact OD1-N 3.15Å; N286-A288 VanDerWaalsContact OD1-N 3.08Å; N286-S289 PolarHBondContact O-N 3.5Å; N286-S289 PolarHBondContact O-OG 3.31Å | ||
| 287 | P | 67.5 | Low | 58.7 | Low | 42 Ų | 42 | 75.5 Ų | 75.5 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.3 | 177.1 | -24.2 | 34.5 | 0 | 0 | 0 | 113.7 | ||
| 288 | A | 63.2 | Low | 56.1 | Low | 51 Ų | 51 | 76.4 Ų | 76.4 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -19.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N286 H290 | N286-A288 PolarHBondContact O-N 3.48Å; N286-A288 VanDerWaalsContact O-N 3.13Å; N286-A288 WeakPolarHBondContact OD1-CB 3.46Å; N286-A288 PolarHBondContact OD1-N 3.15Å; N286-A288 VanDerWaalsContact OD1-N 3.08Å; A288-H290 PolarHBondContact O-N 3.08Å |
| 289 | S | 52 | Low | 53.7 | Low | 28 Ų | 28 | 82 Ų | 82 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -5.4 | -167.2 | 49.5 | 0 | 0 | 0 | 0 | 116.5 | N286 | N286-S289 PolarHBondContact O-N 3.5Å; N286-S289 PolarHBondContact O-OG 3.31Å |
| 290 | H | 40.4 | Very low | 51 | Low | 134 Ų | 134 | 88 Ų | 88 | 62% | 0.62 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15.5 | -174.6 | -97.3 | -57.6 | 0 | 0 | 0 | 116.6 | A288 Q292 | A288-H290 PolarHBondContact O-N 3.08Å; H290-Q292 PolarHBondContact O-N 2.95Å |
| 291 | C | 28.3 | Very low | 48.3 | Very low | 131 Ų | 131 | 90.6 Ų | 90.6 | 89% | 0.885 | 51% | 0.507 | S | S | * | . | trans | -81.7 | 23.5 | 174.8 | -72.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 292 | Q | 25.2 | Very low | 46 | Very low | 171 Ų | 171 | 95.1 Ų | 95.1 | 80% | 0.799 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -101.3 | 123.1 | 167.2 | -71.9 | -171.2 | 0.6 | 0 | 0 | 110.7 | H290 | H290-Q292 PolarHBondContact O-N 2.95Š|
| 293 | S | 27.4 | Very low | 43.5 | Very low | 105 Ų | 105 | 100.6 Ų | 100.6 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -47 | 130.6 | -173.4 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | K295 | S293-K295 PolarHBondContact O-N 2.71Š|
| 294 | P | 29.2 | Very low | 41.1 | Very low | 126 Ų | 126 | 104.8 Ų | 104.8 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.7 | -177.1 | 25.2 | -32 | 0 | 0 | 0 | 110.6 | E296 | P294-E296 PolarHBondContact O-N 3.41Š|
| 295 | K | 26 | Very low | 39.1 | Very low | 199 Ų | 199 | 111.1 Ų | 111.1 | 87% | 0.865 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124.1 | 166.1 | -75.9 | -179.8 | 178 | 174 | 0 | 108.4 | S293 S297 | S293-K295 PolarHBondContact O-N 2.71Å; K295-S297 PolarHBondContact O-N 3.44Å; K295-S297 VanDerWaalsContact O-N 3.1Å |
| 296 | E | 24.5 | Very low | 37.4 | Very low | 198 Ų | 198 | 114.5 Ų | 114.5 | 93% | 0.925 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -46.1 | 106.5 | -177.8 | -64.4 | 171.5 | 149.7 | 0 | 0 | 113.1 | P294 | P294-E296 PolarHBondContact O-N 3.41Š|
| 297 | S | 26.7 | Very low | 35.7 | Very low | 105 Ų | 105 | 116 Ų | 116 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | trans | -160.5 | 105 | 147.9 | 44 | 0 | 0 | 0 | 0 | 111.3 | K295 | K295-S297 PolarHBondContact O-N 3.44Å; K295-S297 VanDerWaalsContact O-N 3.1Å | ||
| 298 | S | 27.2 | Very low | 34.8 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 34.3 | 123.7 | 147.3 | 55.3 | 0 | 0 | 0 | 0 | 121.7 | ||
| 299 | L | 29.3 | Very low | 34.4 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 88% | 0.88 | 67% | 0.67 | S | S | * | * | trans | 81.8 | 97.2 | 161.7 | -66.5 | 158 | 0 | 0 | 0 | 116.7 | N301 | L299-N301 PolarHBondContact O-N 2.97Š| ||
| 300 | I | 26.9 | Very low | 34.6 | Very low | 172 Ų | 172 | 124 Ų | 124 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | trans | -77.2 | 104.5 | 173.2 | -60.6 | 160.1 | 0 | 0 | 0 | 108.1 | ||||
| 301 | N | 26.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 125 Ų | 125 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | trans | -83.5 | 134.3 | 162.7 | -85.7 | 4.4 | 0 | 0 | 0 | 108.8 | L299 E303 | L299-N301 PolarHBondContact O-N 2.97Å; N301-E303 HydrophobicContact CB-CB 4.27Å; N301-E303 HydrophobicContact CB-CG 4.24Å; N301-E303 PolarHBondContact ND2-OE2 3.46Å; N301-E303 PolarHBondContact O-N 3.03Å | ||
| 302 | S | 35.3 | Very low | 37.5 | Very low | 97 Ų | 97 | 119 Ų | 119 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -0.4 | 172 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 303 | E | 31.8 | Very low | 39.8 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -21.3 | -174.9 | -64.4 | 170 | 153.9 | 0 | 0 | 112.8 | N301 | N301-E303 HydrophobicContact CB-CB 4.27Å; N301-E303 HydrophobicContact CB-CG 4.24Å; N301-E303 PolarHBondContact ND2-OE2 3.46Å; N301-E303 PolarHBondContact O-N 3.03Å |
| 304 | V | 35.2 | Very low | 42.5 | Very low | 92 Ų | 92 | 106 Ų | 106 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -84.4 | -24.2 | -176 | -175.2 | 0 | 0 | 0 | 0 | 113 | I306 N308 | V304-I306 PolarHBondContact O-N 3.07Å; V304-N308 PolarHBondContact O-ND2 2.95Å |
| 305 | E | 38.6 | Very low | 45.2 | Very low | 152 Ų | 152 | 101 Ų | 101 | 71% | 0.71 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.4 | -178.8 | -79.6 | -174.2 | 155.5 | 0 | 0 | 114 | N308 | E305-N308 PolarHBondContact O-N 2.89Š|
| 306 | I | 44.5 | Very low | 48.1 | Very low | 87 Ų | 87 | 95.1 Ų | 95.1 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -31.9 | -175.2 | -58.4 | 171.5 | 0 | 0 | 0 | 111.6 | V304 N308 | V304-I306 PolarHBondContact O-N 3.07Å; I306-N308 VanDerWaalsContact C-N 3.3Å; I306-N308 PolarHBondContact O-N 3.42Å |
| 307 | V | 44.7 | Very low | 51.3 | Low | 41 Ų | 41 | 86.2 Ų | 86.2 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -74.7 | -22.2 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L285 R309 C384 | L285-V307 HydrophobicContact CD1-CG1 3.4Å; L285-V307 VanDerWaalsContact CD1-CG1 3.4Å; V307-R309 PolarHBondContact O-N 3.3Å; V307-C384 HydrophobicContact CG2-CB 4.5Å |
| 308 | N | 48 | Very low | 54.1 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -83.2 | -7.8 | -173.4 | -68.7 | -19.1 | 0 | 0 | 0 | 115 | V304 E305 I306 | V304-N308 PolarHBondContact O-ND2 2.95Å; E305-N308 PolarHBondContact O-N 2.89Å; I306-N308 VanDerWaalsContact C-N 3.3Å; I306-N308 PolarHBondContact O-N 3.42Å |
| 309 | R | 53.9 | Low | 57 | Low | 216 Ų | 216 | 80 Ų | 80 | 82% | 0.815 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -114 | 41.1 | -178.1 | -69.4 | -172.3 | 179.5 | 178.8 | 1.3 | 113.8 | V307 | V307-R309 PolarHBondContact O-N 3.3Š|
| 310 | L | 56.6 | Low | 59.5 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | trans | -92.9 | 10.5 | -176.2 | -76.4 | 166.5 | 0 | 0 | 0 | 115.3 | G269 L285 G312 C313 | G269-L310 VanDerWaalsContact CA-O 3.31Å; G269-L310 WeakPolarHBondContact CA-O 3.44Å; L285-L310 HydrophobicContact CD2-CB 4.21Å; L285-L310 HydrophobicContact CD2-CD1 3.44Å; L285-L310 VanDerWaalsContact CD2-CD1 3.44Å; L285-L310 HydrophobicContact CD2-CG 4.46Å; L310-G312 PolarHBondContact O-N 3.47Å; L310-C313 HydrophobicContact CB-CB 4.35Å; L310-C313 HydrophobicContact CD2-CB 3.68Å; L310-C313 VanDerWaalsContact O-CB 3.27Å; L310-C313 WeakPolarHBondContact O-CB 3.48Å; L310-C313 PolarHBondContact O-N 3.41Å; L310-C313 VanDerWaalsContact O-N 3.08Å | ||
| 311 | E | 63.3 | Low | 61.8 | Low | 154 Ų | 154 | 70.1 Ų | 70.1 | 72% | 0.72 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 129.5 | 175.9 | -163.9 | 177.6 | 176.2 | 0 | 0 | 111 | C313 | E311-C313 PolarHBondContact O-N 3.14Å; E311-C313 VanDerWaalsContact O-N 3.17Å |
| 312 | G | 65.6 | Low | 64.2 | Low | 5 Ų | 5 | 68 Ų | 68 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 5.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | E267 L310 G328 R329 | E267-G312 PolarHBondContact O-N 3.32Å; E267-G312 VanDerWaalsContact O-N 3.17Å; L310-G312 PolarHBondContact O-N 3.47Å; G312-G328 WeakPolarHBondContact O-CA 3.44Å; G312-R329 PolarHBondContact O-N 2.8Å |
| 313 | C | 74.4 | Confident | 66.5 | Low | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | trans | -89.8 | -14.8 | -177.6 | -61.3 | 0 | 0 | 0 | 0 | 114 | L310 E311 G327 D330 R334 | L310-C313 HydrophobicContact CB-CB 4.35Å; L310-C313 HydrophobicContact CD2-CB 3.68Å; L310-C313 VanDerWaalsContact O-CB 3.27Å; L310-C313 WeakPolarHBondContact O-CB 3.48Å; L310-C313 PolarHBondContact O-N 3.41Å; L310-C313 VanDerWaalsContact O-N 3.08Å; E311-C313 PolarHBondContact O-N 3.14Å; E311-C313 VanDerWaalsContact O-N 3.17Å; C313-G327 CarbonylContact O-C 3.59Å; C313-G327 PolarHBondContact O-N 3.41Å; C313-D330 PolarHBondContact SG-OD2 2.8Å; C313-R334 PolarHBondContact SG-NH1 2.93Å | ||
| 314 | L | 84.1 | Confident | 69.1 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | trans | -98.6 | 21.3 | -175.5 | -57.9 | 178.2 | 0 | 0 | 0 | 113.5 | S253 G269 Q270 L271 Y316 L317 T326 | S253-L314 PolarHBondContact OG-O 2.96Å; G269-L314 VanDerWaalsContact C-CD1 3.49Å; G269-L314 WeakPolarHBondContact O-CD1 3.31Å; Q270-L314 WeakPolarHBondContact O-CD1 3.43Å; L271-L314 HydrophobicContact CB-CD1 4.05Å; L271-L314 HydrophobicContact CD1-CD1 4.39Å; L314-Y316 VanDerWaalsContact C-N 3.26Å; L314-Y316 PolarHBondContact O-N 3.39Å; L314-L317 HydrophobicContact CD2-CD2 4.12Å; L314-T326 HydrophobicContact CD2-CG2 3.8Å | ||
| 315 | T | 84.9 | Confident | 71.6 | Confident | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -68.7 | -23.1 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | V252 S253 G327 G328 | V252-T315 HydrophobicContact CG1-CG2 4.1Å; S253-T315 WeakPolarHBondContact CB-O 3.32Å; T315-G327 PolarHBondContact N-O 3.28Å; T315-G327 PolarHBondContact OG1-O 3.48Å; T315-G328 WeakPolarHBondContact OG1-CA 3.3Å |
| 316 | Y | 88.2 | Confident | 73.9 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.9 | 171.4 | -57.8 | -82.1 | 0 | 0 | 0 | 109 | L314 T326 G327 I405 T406 L408 | L314-Y316 VanDerWaalsContact C-N 3.26Å; L314-Y316 PolarHBondContact O-N 3.39Å; Y316-T326 WeakPolarHBondContact O-CA 3.47Å; Y316-G327 WeakPolarHBondContact CD2-O 3.35Å; Y316-G327 PolarHBondContact N-O 3.11Å; Y316-G327 PolarHBondContact O-N 2.98Å; Y316-G327 VanDerWaalsContact O-N 3.13Å; Y316-I405 HydrophobicContact CD2-CB 4.43Å; Y316-I405 HydrophobicContact CD2-CG2 3.8Å; Y316-I405 HydrophobicContact CE2-CG2 4.25Å; Y316-I405 WeakPolarHBondContact CE2-O 3.41Å; Y316-T406 VanDerWaalsContact CZ-O 3.23Å; Y316-T406 PolarHBondContact OH-O 3.13Å; Y316-L408 HydrophobicContact CG-CB 4.37Å |
| 317 | L | 90.4 | Very high | 75.9 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.6 | 179.5 | -73.5 | -179.3 | 0 | 0 | 0 | 110.1 | S253 T255 G265 L271 L314 L324 L325 T326 | S253-L317 VanDerWaalsContact OG-CD1 3.29Å; S253-L317 WeakPolarHBondContact OG-CD1 3.48Å; S253-L317 WeakPolarHBondContact OG-CG 3.3Å; T255-L317 HydrophobicContact CG2-CB 3.87Å; G265-L317 VanDerWaalsContact N-CD1 3.31Å; L271-L317 HydrophobicContact CD1-CD1 3.89Å; L271-L317 HydrophobicContact CD1-CD2 4.44Å; L314-L317 HydrophobicContact CD2-CD2 4.12Å; L317-L324 HydrophobicContact CB-CD1 4.28Å; L317-L324 HydrophobicContact CD2-CD1 4.1Å; L317-L324 HydrophobicContact CD2-CD2 3.89Å; L317-L324 HydrophobicContact CD2-CG 3.97Å; L317-L325 WeakPolarHBondContact CA-O 3.05Å; L317-T326 HydrophobicContact CD2-CG2 3.39Å |
| 318 | L | 87.3 | Confident | 77.8 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 124.7 | 169.6 | -75.9 | -177.9 | 0 | 0 | 0 | 110.9 | L325 L408 I410 | L318-L325 HydrophobicContact CB-CB 4.29Å; L318-L325 PolarHBondContact N-O 3.07Å; L318-L325 PolarHBondContact O-N 3.31Å; L318-L408 HydrophobicContact CB-CD2 4.11Å; L318-L408 HydrophobicContact CD1-CB 4.47Å; L318-L408 HydrophobicContact CD1-CD1 4.4Å; L318-L408 HydrophobicContact CD1-CD2 3.57Å; L318-L408 HydrophobicContact CD1-CG 3.47Å; L318-L408 VanDerWaalsContact CD1-CG 3.47Å; L318-L408 HydrophobicContact CG-CD2 3.66Å; L318-L408 HydrophobicContact CG-CG 4.04Å; L318-I410 HydrophobicContact CD1-CB 4.04Å; L318-I410 HydrophobicContact CD1-CG2 4.26Å; L318-I410 HydrophobicContact CD2-CG2 4.43Å |
| 319 | Y | 86.8 | Confident | 79.2 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.9 | 173.3 | -175.8 | -107.4 | 0 | 0 | 0 | 110.9 | T255 T257 F263 L338 | T255-Y319 PolarHBondContact OG1-N 3.4Å; T255-Y319 VanDerWaalsContact OG1-N 3.13Å; T257-Y319 HydrophobicContact CG2-CD1 4.46Å; T257-Y319 HydrophobicContact CG2-CD2 4.33Å; T257-Y319 HydrophobicContact CG2-CE1 4.36Å; T257-Y319 HydrophobicContact CG2-CE2 4.23Å; T257-Y319 HydrophobicContact CG2-CG 4.44Å; F263-Y319 HydrophobicContact CD2-CD2 4.18Å; F263-Y319 AromaticContact CE2-CD2 3.75Å; F263-Y319 HydrophobicContact CE2-CD2 3.75Å; F263-Y319 AromaticContact CE2-CE2 3.93Å; F263-Y319 HydrophobicContact CE2-CE2 3.93Å; Y319-L338 HydrophobicContact CD2-CD1 4.46Å; Y319-L338 HydrophobicContact CE2-CD1 4.01Å |
| 320 | T | 82.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 174.2 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 111 | H322 G323 L325 I410 | T320-H322 PolarHBondContact O-N 2.88Å; T320-H322 PolarHBondContact OG1-N 3.15Å; T320-G323 PolarHBondContact N-O 3.47Å; T320-G323 PolarHBondContact O-N 3.32Å; T320-G323 PolarHBondContact OG1-O 3.38Å; T320-G323 VanDerWaalsContact OG1-O 3.11Å; T320-L325 HydrophobicContact CG2-CD1 3.54Å; T320-L325 HydrophobicContact CG2-CG 4.13Å; T320-I410 HydrophobicContact CG2-CD1 3.95Å |
| 321 | T | 75.2 | Confident | 81.3 | Confident | 129 Ų | 129 | 34.5 Ų | 34.5 | 79% | 0.791 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.6 | 173.7 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 322 | H | 76.2 | Confident | 82.3 | Confident | 49 Ų | 49 | 28.7 Ų | 28.7 | 23% | 0.227 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -19.2 | -175.8 | -53.5 | 84.2 | 0 | 0 | 0 | 113.3 | T320 L335 H432 D433 L435 | T320-H322 PolarHBondContact O-N 2.88Å; T320-H322 PolarHBondContact OG1-N 3.15Å; H322-L335 HydrophobicContact CB-CD1 4.43Å; H322-L335 HydrophobicContact CB-CD2 4.48Å; H322-H432 PolarHBondContact NE2-O 3.3Å; H322-D433 PolarHBondContact NE2-O 3.15Å; H322-D433 VanDerWaalsContact NE2-O 3.08Å; H322-L435 HydrophobicContact CB-CD1 3.37Å; H322-L435 WeakPolarHBondContact CD2-CD1 3.43Å |
| 323 | G | 83.3 | Confident | 83.3 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -161.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T320 L336 | T320-G323 PolarHBondContact N-O 3.47Å; T320-G323 PolarHBondContact O-N 3.32Å; T320-G323 PolarHBondContact OG1-O 3.38Å; T320-G323 VanDerWaalsContact OG1-O 3.11Å; G323-L336 CarbonylContact C-O 3.59Å; G323-L336 VanDerWaalsContact CA-O 3.3Å; G323-L336 WeakPolarHBondContact CA-O 2.93Å |
| 324 | L | 87.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 114.7 | 179.3 | 179.9 | 69 | 0 | 0 | 0 | 109.8 | T255 F263 L271 L317 T326 L336 L338 | T255-L324 HydrophobicContact CG2-CD1 3.44Å; T255-L324 VanDerWaalsContact CG2-CD1 3.44Å; F263-L324 HydrophobicContact CB-CD1 4.36Å; F263-L324 HydrophobicContact CB-CD2 4.24Å; F263-L324 HydrophobicContact CD1-CD2 4.09Å; F263-L324 HydrophobicContact CD2-CD1 4.39Å; F263-L324 HydrophobicContact CG-CD1 4.4Å; F263-L324 HydrophobicContact CG-CD2 4.12Å; L271-L324 HydrophobicContact CD1-CD2 3.77Å; L271-L324 HydrophobicContact CD2-CD2 3.7Å; L271-L324 HydrophobicContact CG-CD2 4.38Å; L317-L324 HydrophobicContact CB-CD1 4.28Å; L317-L324 HydrophobicContact CD2-CD1 4.1Å; L317-L324 HydrophobicContact CD2-CD2 3.89Å; L317-L324 HydrophobicContact CD2-CG 3.97Å; L324-T326 HydrophobicContact CD2-CG2 4.45Å; L324-T326 HydrophobicContact CG-CG2 4.17Å; L324-L336 HydrophobicContact CB-CB 4.18Å; L324-L336 HydrophobicContact CD2-CD1 4.05Å; L324-L336 PolarHBondContact N-O 3Å; L324-L336 PolarHBondContact O-N 3.4Å; L324-L338 HydrophobicContact CB-CD1 4.38Å |
| 325 | L | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.1 | 174.3 | -68.4 | 169.6 | 0 | 0 | 0 | 110 | L317 L318 T320 R334 L335 L387 I417 | L317-L325 WeakPolarHBondContact CA-O 3.05Å; L318-L325 HydrophobicContact CB-CB 4.29Å; L318-L325 PolarHBondContact N-O 3.07Å; L318-L325 PolarHBondContact O-N 3.31Å; T320-L325 HydrophobicContact CG2-CD1 3.54Å; T320-L325 HydrophobicContact CG2-CG 4.13Å; L325-R334 CarbonylContact C-O 3.51Å; L325-R334 VanDerWaalsContact CA-O 3.26Å; L325-R334 WeakPolarHBondContact CA-O 3.49Å; L325-L335 HydrophobicContact CD2-CB 4.06Å; L325-L335 HydrophobicContact CD2-CD1 3.69Å; L325-L335 HydrophobicContact CD2-CG 4.47Å; L325-L335 HydrophobicContact CG-CD1 4.13Å; L325-L387 HydrophobicContact CD2-CD1 3.34Å; L325-I417 HydrophobicContact CD1-CD1 3.42Å; L325-I417 VanDerWaalsContact CD1-CD1 3.42Å; L325-I417 HydrophobicContact CD1-CG1 4.37Å |
| 326 | T | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.9 | -178.5 | 79.8 | 0 | 0 | 0 | 0 | 111.4 | L314 Y316 L317 L324 L333 R334 L336 | L314-T326 HydrophobicContact CD2-CG2 3.8Å; Y316-T326 WeakPolarHBondContact O-CA 3.47Å; L317-T326 HydrophobicContact CD2-CG2 3.39Å; L324-T326 HydrophobicContact CD2-CG2 4.45Å; L324-T326 HydrophobicContact CG-CG2 4.17Å; T326-L333 CarbonylContact O-C 3.58Å; T326-L333 WeakPolarHBondContact O-CA 3.27Å; T326-R334 PolarHBondContact N-O 3.33Å; T326-R334 PolarHBondContact O-N 3.49Å; T326-L336 HydrophobicContact CG2-CD1 3.48Å; T326-L336 VanDerWaalsContact CG2-CD1 3.48Å; T326-L336 HydrophobicContact CG2-CG 4.05Å |
| 327 | G | 85.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 147.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C313 T315 Y316 | C313-G327 CarbonylContact O-C 3.59Å; C313-G327 PolarHBondContact O-N 3.41Å; T315-G327 PolarHBondContact N-O 3.28Å; T315-G327 PolarHBondContact OG1-O 3.48Å; Y316-G327 WeakPolarHBondContact CD2-O 3.35Å; Y316-G327 PolarHBondContact N-O 3.11Å; Y316-G327 PolarHBondContact O-N 2.98Å; Y316-G327 VanDerWaalsContact O-N 3.13Å |
| 328 | G | 84.8 | Confident | 83 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -164.9 | -140.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | G312 T315 D330 G331 N404 I405 | G312-G328 WeakPolarHBondContact O-CA 3.44Å; T315-G328 WeakPolarHBondContact OG1-CA 3.3Å; G328-D330 PolarHBondContact O-N 3.18Å; G328-G331 PolarHBondContact O-N 3.16Å; G328-G331 VanDerWaalsContact O-N 3.1Å; G328-N404 WeakPolarHBondContact O-CA 3.38Å; G328-I405 PolarHBondContact O-N 3.09Å | ||
| 329 | R | 78.9 | Confident | 82.4 | Confident | 134 Ų | 134 | 29.2 Ų | 29.2 | 51% | 0.506 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27 | -165.4 | -69.3 | -173.8 | 179 | 168.3 | 5.5 | 113.4 | E267 G312 G331 N404 | E267-R329 IonicContact OE1-CZ 2.94Å; E267-R329 IonicContact OE1-NH1 3.09Å; E267-R329 IonicContact OE1-NH2 2.95Å; E267-R329 PolarHBondContact OE1-NH2 3.01Å; G312-R329 PolarHBondContact O-N 2.8Å; R329-G331 VanDerWaalsContact C-N 3.31Å; R329-G331 PolarHBondContact O-N 3.17Å; R329-N404 PolarHBondContact O-OD1 3.36Å |
| 330 | D | 77.2 | Confident | 81.1 | Confident | 48 Ų | 48 | 33.1 Ų | 33.1 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.2 | 179.7 | 64.6 | -17.8 | 0 | 0 | 0 | 114.4 | C313 G328 I332 R334 | C313-D330 PolarHBondContact SG-OD2 2.8Å; G328-D330 PolarHBondContact O-N 3.18Å; D330-I332 PolarHBondContact OD1-N 3.26Å; D330-R334 IonicContact OD1-NH1 2.73Å; D330-R334 IonicContact OD2-CZ 2.8Å; D330-R334 IonicContact OD2-NH1 2.63Å; D330-R334 PolarHBondContact OD2-NH1 2.8Å; D330-R334 IonicContact OD2-NH2 2.99Å; D330-R334 PolarHBondContact OD2-NH2 3.43Å |
| 331 | G | 77.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | 80.3 | 16.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G328 R329 F390 K403 | G328-G331 PolarHBondContact O-N 3.16Å; G328-G331 VanDerWaalsContact O-N 3.1Å; R329-G331 VanDerWaalsContact C-N 3.31Å; R329-G331 PolarHBondContact O-N 3.17Å; G331-F390 PolarHBondContact O-N 3.01Å; G331-K403 WeakPolarHBondContact CA-O 3.45Å | ||
| 332 | I | 83.3 | Confident | 77.8 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.1 | -178.1 | -55.7 | 175 | 0 | 0 | 0 | 109.5 | D330 R334 N386 Y388 N389 | D330-I332 PolarHBondContact OD1-N 3.26Å; I332-R334 HydrophobicContact CG2-CG 3.98Å; I332-N386 HydrophobicContact CG2-CB 4.02Å; I332-Y388 WeakPolarHBondContact CA-O 3.38Å; I332-N389 HydrophobicContact CG1-CB 4.36Å |
| 333 | L | 86.5 | Confident | 75.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.9 | 168.6 | -176.4 | 74.1 | 0 | 0 | 0 | 108.9 | T326 L387 Y388 I405 L408 V419 L439 | T326-L333 CarbonylContact O-C 3.58Å; T326-L333 WeakPolarHBondContact O-CA 3.27Å; L333-L387 HydrophobicContact CD2-CB 4.24Å; L333-L387 HydrophobicContact CD2-CD1 4.22Å; L333-L387 HydrophobicContact CG-CB 4.41Å; L333-L387 HydrophobicContact CG-CD1 4.41Å; L333-L387 PolarHBondContact O-N 2.99Å; L333-Y388 PolarHBondContact N-O 2.87Å; L333-Y388 PolarHBondContact O-N 2.83Å; L333-I405 HydrophobicContact CB-CD1 4.27Å; L333-L408 HydrophobicContact CD1-CD1 3.94Å; L333-L408 HydrophobicContact CD1-CD2 4.41Å; L333-V419 HydrophobicContact CD1-CG2 4.39Å; L333-V419 HydrophobicContact CD2-CG2 4.05Å; L333-L439 HydrophobicContact CD2-CD1 4.27Å |
| 334 | R | 85.6 | Confident | 73.2 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 159.1 | -179.7 | -56.1 | -175.1 | 172.2 | 83.3 | -6.3 | 112.2 | C313 L325 T326 D330 I332 I385 N386 | C313-R334 PolarHBondContact SG-NH1 2.93Å; L325-R334 CarbonylContact C-O 3.51Å; L325-R334 VanDerWaalsContact CA-O 3.26Å; L325-R334 WeakPolarHBondContact CA-O 3.49Å; T326-R334 PolarHBondContact N-O 3.33Å; T326-R334 PolarHBondContact O-N 3.49Å; D330-R334 IonicContact OD1-NH1 2.73Å; D330-R334 IonicContact OD2-CZ 2.8Å; D330-R334 IonicContact OD2-NH1 2.63Å; D330-R334 PolarHBondContact OD2-NH1 2.8Å; D330-R334 IonicContact OD2-NH2 2.99Å; D330-R334 PolarHBondContact OD2-NH2 3.43Å; I332-R334 HydrophobicContact CG2-CG 3.98Å; R334-I385 CarbonylContact C-O 3.57Å; R334-I385 WeakPolarHBondContact CA-O 3.5Å; R334-N386 WeakPolarHBondContact CD-OD1 3.43Å; R334-N386 WeakPolarHBondContact CG-OD1 3.34Å; R334-N386 PolarHBondContact NE-OD1 2.9Å; R334-N386 VanDerWaalsContact NE-OD1 3.11Å |
| 335 | L | 85.8 | Confident | 70.3 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.8 | 171.2 | 178.1 | 70.3 | 0 | 0 | 0 | 109.8 | H322 L325 I337 C384 I385 L387 L435 | H322-L335 HydrophobicContact CB-CD1 4.43Å; H322-L335 HydrophobicContact CB-CD2 4.48Å; L325-L335 HydrophobicContact CD2-CB 4.06Å; L325-L335 HydrophobicContact CD2-CD1 3.69Å; L325-L335 HydrophobicContact CD2-CG 4.47Å; L325-L335 HydrophobicContact CG-CD1 4.13Å; L335-I337 HydrophobicContact CD2-CG1 4.44Å; L335-I337 HydrophobicContact CG-CG1 4.48Å; L335-C384 CarbonylContact O-C 3.41Å; L335-C384 WeakPolarHBondContact O-CA 3.1Å; L335-I385 PolarHBondContact N-O 3.12Å; L335-I385 PolarHBondContact O-N 2.99Å; L335-L387 HydrophobicContact CB-CD1 3.81Å; L335-L387 HydrophobicContact CB-CD2 4.33Å; L335-L387 HydrophobicContact CB-CG 4.04Å; L335-L435 HydrophobicContact CD2-CD1 3.89Å |
| 336 | L | 85.1 | Confident | 67.6 | Low | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.9 | 171.2 | -62.7 | 168.4 | 0 | 0 | 0 | 109.3 | L271 G323 L324 T326 I381 N383 C384 | L271-L336 HydrophobicContact CD2-CD1 4.18Å; G323-L336 CarbonylContact C-O 3.59Å; G323-L336 VanDerWaalsContact CA-O 3.3Å; G323-L336 WeakPolarHBondContact CA-O 2.93Å; L324-L336 HydrophobicContact CB-CB 4.18Å; L324-L336 HydrophobicContact CD2-CD1 4.05Å; L324-L336 PolarHBondContact N-O 3Å; L324-L336 PolarHBondContact O-N 3.4Å; T326-L336 HydrophobicContact CG2-CD1 3.48Å; T326-L336 VanDerWaalsContact CG2-CD1 3.48Å; T326-L336 HydrophobicContact CG2-CG 4.05Å; L336-I381 HydrophobicContact CD2-CG2 4.23Å; L336-N383 CarbonylContact C-O 3.58Å; L336-N383 WeakPolarHBondContact CA-O 3.2Å; L336-C384 HydrophobicContact CD2-CB 3.75Å |
| 337 | I | 80.6 | Confident | 64.6 | Low | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.4 | 177.2 | -59.6 | 178.2 | 0 | 0 | 0 | 108.7 | L335 Q382 N383 I385 | L335-I337 HydrophobicContact CD2-CG1 4.44Å; L335-I337 HydrophobicContact CG-CG1 4.48Å; I337-Q382 HydrophobicContact CG2-CB 4.35Å; I337-Q382 PolarHBondContact O-N 3.02Å; I337-N383 HydrophobicContact CB-CB 4.34Å; I337-N383 HydrophobicContact CD1-CB 4.34Å; I337-N383 PolarHBondContact N-O 3.37Å; I337-I385 HydrophobicContact CD1-CD1 3.79Å |
| 338 | L | 79.7 | Confident | 61.6 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 23% | 0.225 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.9 | -175.7 | -61.6 | 161.2 | 0 | 0 | 0 | 110.7 | F263 Y319 L324 E380 I381 | F263-L338 HydrophobicContact CE1-CD1 4.16Å; F263-L338 HydrophobicContact CE1-CD2 4.13Å; F263-L338 HydrophobicContact CE2-CD1 3.98Å; F263-L338 HydrophobicContact CZ-CD1 3.45Å; F263-L338 VanDerWaalsContact CZ-CD1 3.45Å; F263-L338 HydrophobicContact CZ-CD2 4.16Å; F263-L338 HydrophobicContact CZ-CG 4.46Å; Y319-L338 HydrophobicContact CD2-CD1 4.46Å; Y319-L338 HydrophobicContact CE2-CD1 4.01Å; L324-L338 HydrophobicContact CB-CD1 4.38Å; L338-E380 WeakPolarHBondContact CA-O 3.4Å; L338-I381 HydrophobicContact CD2-CG1 4.26Å |
| 339 | T | 73.1 | Confident | 58.8 | Low | 43 Ų | 43 | 79.2 Ų | 79.2 | 26% | 0.264 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 159.1 | 175.4 | 44.3 | 0 | 0 | 0 | 0 | 112.7 | T379 E380 Q382 | T339-T379 WeakPolarHBondContact O-CA 3.49Å; T339-E380 PolarHBondContact N-O 3.49Å; T339-E380 PolarHBondContact O-N 3.3Å; T339-E380 VanDerWaalsContact O-N 3.12Å; T339-E380 PolarHBondContact OG1-O 3.21Å; T339-Q382 HydrophobicContact CG2-CB 3.62Å; T339-Q382 HydrophobicContact CG2-CG 3.81Å |
| 340 | K | 59.3 | Low | 56.1 | Low | 135 Ų | 135 | 78.9 Ų | 78.9 | 59% | 0.587 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.5 | 172.6 | -63.3 | 179.7 | -173.2 | 177.1 | 0 | 109.8 | Y375 N378 | K340-Y375 HydrophobicContact CD-CE2 4.28Å; K340-Y375 VanDerWaalsContact CE-CZ 3.43Å; K340-Y375 VanDerWaalsContact CE-OH 3.3Å; K340-Y375 WeakPolarHBondContact CE-OH 3.41Å; K340-N378 WeakPolarHBondContact CA-O 3.43Å |
| 341 | T | 49.1 | Very low | 53.7 | Low | 58 Ų | 58 | 82.8 Ų | 82.8 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | trans | -83.6 | 129.7 | 172.9 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | N378 | T341-N378 PolarHBondContact N-O 3.44Å; T341-N378 PolarHBondContact OG1-O 2.99Å | ||
| 342 | T | 40.3 | Very low | 51.1 | Low | 113 Ų | 113 | 89.8 Ų | 89.8 | 69% | 0.693 | 50% | 0.495 | S | S | * | . | trans | -93.3 | 133.8 | 171.6 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | T344 | T342-T344 PolarHBondContact O-N 3.47Š| ||
| 343 | P | 34.6 | Very low | 48.3 | Very low | 124 Ų | 124 | 95.1 Ų | 95.1 | 81% | 0.805 | 52% | 0.524 | S | S | * | . | trans | -70.8 | 102.5 | -177.3 | 27.2 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 344 | T | 28 | Very low | 45.5 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | trans | -92.7 | 131.2 | 171.8 | 41 | 0 | 0 | 0 | 0 | 110.9 | T342 V346 | T342-T344 PolarHBondContact O-N 3.47Å; T344-V346 PolarHBondContact O-N 3.07Å | ||
| 345 | T | 26.3 | Very low | 42.5 | Very low | 132 Ų | 132 | 111.2 Ų | 111.2 | 81% | 0.81 | 60% | 0.597 | S | S | * | * | trans | -56.8 | 104.4 | 174.5 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | N347 | T345-N347 PolarHBondContact O-N 3.46Å; T345-N347 VanDerWaalsContact O-N 3.1Å | ||
| 346 | V | 30.8 | Very low | 39.6 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 80% | 0.8 | 63% | 0.632 | S | S | * | * | trans | -73.9 | 103.4 | 178 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | T344 | T344-V346 PolarHBondContact O-N 3.07Š| ||
| 347 | N | 23.8 | Very low | 36.8 | Very low | 135 Ų | 135 | 123 Ų | 123 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | trans | -63.9 | 134.4 | 166 | -83.8 | -41.6 | 0 | 0 | 0 | 110.9 | T345 I349 | T345-N347 PolarHBondContact O-N 3.46Å; T345-N347 VanDerWaalsContact O-N 3.1Å; N347-I349 PolarHBondContact O-N 2.94Å | ||
| 348 | K | 22.8 | Very low | 34.2 | Very low | 192 Ų | 192 | 129.8 Ų | 129.8 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | trans | 0.9 | 105.2 | 152.6 | -64.9 | 176.5 | 177.8 | 177.7 | 0 | 115.4 | ||||
| 349 | I | 25.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 136 Ų | 136 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | -106.2 | 113.3 | 155.9 | -62.6 | 175.9 | 0 | 0 | 0 | 107.2 | N347 | N347-I349 PolarHBondContact O-N 2.94Š| ||
| 350 | N | 23.7 | Very low | 29.2 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -62.2 | 129.8 | -177.7 | -73 | -32.1 | 0 | 0 | 0 | 111.8 | L352 | N350-L352 HydrophobicContact CB-CD1 4.49Å; N350-L352 PolarHBondContact O-N 3.42Å | ||
| 351 | P | 26.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | -87.1 | 101 | 170.5 | 32.3 | -27.5 | 0 | 0 | 0 | 109.6 | ||||
| 352 | L | 21.1 | Very low | 26.3 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -114.4 | 96 | 162.5 | -96.6 | 103.6 | 0 | 0 | 0 | 108.7 | N350 | N350-L352 HydrophobicContact CB-CD1 4.49Å; N350-L352 PolarHBondContact O-N 3.42Å | ||
| 353 | N | 25.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | 174.1 | 118.9 | 128.4 | -96.9 | -34.2 | 0 | 0 | 0 | 112.4 | |||||
| 354 | K | 26.9 | Very low | 25.1 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 65.3 | 97.9 | 148.3 | -61 | -176.6 | 179.1 | -178.9 | 0 | 117.2 | ||||
| 355 | Q | 23 | Very low | 24.8 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 67.6 | 89.1 | 91.9 | -76.4 | -175.6 | -19.6 | 0 | 0 | 113.6 | |||||
| 356 | S | 25.6 | Very low | 24.7 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | 175.7 | 138 | 94.8 | 34 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 357 | D | 26.1 | Very low | 24.5 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 70.5 | 85.3 | 155.2 | -55.4 | -13.5 | 0 | 0 | 0 | 121.2 | ||||
| 358 | Q | 24.4 | Very low | 24.5 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | 18.3 | 109.8 | 121.6 | -63.1 | -179.1 | -5.7 | 0 | 0 | 117.8 | |||||
| 359 | L | 24.8 | Very low | 24.8 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | -150.7 | 105.7 | 128.2 | -101.1 | 160.3 | 0 | 0 | 0 | 108.3 | |||||
| 360 | S | 23.2 | Very low | 24.8 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 124.1 | 177.2 | 50.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 361 | V | 25.7 | Very low | 25.1 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -121.5 | 122.7 | 154.6 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | V363 | V361-V363 PolarHBondContact O-N 3.07Š| ||
| 362 | K | 23.2 | Very low | 25.3 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 81% | 0.809 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 122.5 | -174.4 | -70 | 172.3 | 173.5 | 177.2 | 0 | 109.9 | N364 | K362-N364 PolarHBondContact O-N 3.41Š| ||
| 363 | V | 26.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 147 Ų | 147 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -65.1 | 115.2 | 163.2 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | V361 E365 | V361-V363 PolarHBondContact O-N 3.07Å; V363-E365 PolarHBondContact O-N 3.11Å; V363-E365 VanDerWaalsContact O-N 3.11Å | ||
| 364 | N | 23.3 | Very low | 27.6 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 106.7 | 171.5 | -86.4 | -18.1 | 0 | 0 | 0 | 108.8 | K362 A366 | K362-N364 PolarHBondContact O-N 3.41Å; N364-A366 PolarHBondContact O-N 2.58Å; N364-A366 VanDerWaalsContact O-N 3.14Å | ||
| 365 | E | 22.1 | Very low | 29.1 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -63.3 | 99.2 | 162.2 | -66.5 | 174.9 | 156.7 | 0 | 0 | 109.3 | V363 | V363-E365 PolarHBondContact O-N 3.11Å; V363-E365 VanDerWaalsContact O-N 3.11Å | ||
| 366 | A | 23.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | -151.5 | 121.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N364 | N364-A366 PolarHBondContact O-N 2.58Å; N364-A366 VanDerWaalsContact O-N 3.14Å | ||
| 367 | S | 26.5 | Very low | 33.2 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | 84.4 | 78 | 169.6 | 72 | 0 | 0 | 0 | 0 | 118 | V369 | S367-V369 PolarHBondContact O-N 3.49Å; S367-V369 VanDerWaalsContact O-N 3.15Å | ||
| 368 | S | 24.2 | Very low | 35.2 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 68% | 0.681 | S | S | * | * | trans | -61.6 | 98.5 | 154.5 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 369 | V | 27.9 | Very low | 37.6 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | trans | -82.5 | 123.2 | 163.8 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | S367 I371 | S367-V369 PolarHBondContact O-N 3.49Å; S367-V369 VanDerWaalsContact O-N 3.15Å; V369-I371 PolarHBondContact O-N 3.03Å | ||
| 370 | K | 26.5 | Very low | 40 | Very low | 208 Ų | 208 | 111.9 Ų | 111.9 | 90% | 0.904 | 62% | 0.619 | S | S | * | * | trans | -63 | 105.9 | 176.8 | -70.3 | 179 | -179.5 | 178.2 | 0 | 109.5 | G372 | K370-G372 PolarHBondContact O-N 3.29Å; K370-G372 VanDerWaalsContact O-N 3.11Å | ||
| 371 | I | 31 | Very low | 42.5 | Very low | 161 Ų | 161 | 108.5 Ų | 108.5 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | trans | -69.7 | 102.7 | 175.2 | -61 | 166.5 | 0 | 0 | 0 | 108.2 | V369 | V369-I371 PolarHBondContact O-N 3.03Š| ||
| 372 | G | 31.3 | Very low | 44.7 | Very low | 49 Ų | 49 | 108 Ų | 108 | 51% | 0.505 | 58% | 0.58 | S | S | . | * | trans | -72.6 | 165 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K370 N374 | K370-G372 PolarHBondContact O-N 3.29Å; K370-G372 VanDerWaalsContact O-N 3.11Å; G372-N374 PolarHBondContact O-N 3.43Å | ||
| 373 | E | 39 | Very low | 47.1 | Very low | 193 Ų | 193 | 103 Ų | 103 | 90% | 0.902 | 56% | 0.563 | S | S | * | * | trans | -58.1 | 79.8 | -174.4 | -60.6 | 176.4 | 156.5 | 0 | 0 | 114.5 | Y375 | E373-Y375 PolarHBondContact O-N 2.98Š| ||
| 374 | N | 54.6 | Low | 49.6 | Very low | 89 Ų | 89 | 97.2 Ų | 97.2 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | trans | -83.7 | 103 | 173.6 | -76.5 | -13.6 | 0 | 0 | 0 | 111.3 | G372 L376 F377 | G372-N374 PolarHBondContact O-N 3.43Å; N374-L376 PolarHBondContact O-N 2.99Å; N374-F377 HydrophobicContact CB-CD2 3.56Å; N374-F377 HydrophobicContact CB-CE2 4.08Å; N374-F377 PolarHBondContact O-N 2.95Å | ||
| 375 | Y | 60.2 | Low | 52.3 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -33.8 | 178.2 | -163.5 | -73.8 | 0 | 0 | 0 | 113.2 | L261 K340 E373 F377 N378 T379 | L261-Y375 HydrophobicContact CD1-CD1 3.32Å; L261-Y375 HydrophobicContact CD1-CE1 3.97Å; L261-Y375 HydrophobicContact CD1-CG 4.1Å; K340-Y375 HydrophobicContact CD-CE2 4.28Å; K340-Y375 VanDerWaalsContact CE-CZ 3.43Å; K340-Y375 VanDerWaalsContact CE-OH 3.3Å; K340-Y375 WeakPolarHBondContact CE-OH 3.41Å; E373-Y375 PolarHBondContact O-N 2.98Å; Y375-F377 PolarHBondContact O-N 3.25Å; Y375-N378 PolarHBondContact O-N 3.48Å; Y375-T379 HydrophobicContact CD1-CG2 3.66Å; Y375-T379 HydrophobicContact CE1-CG2 3.47Å; Y375-T379 VanDerWaalsContact CE1-CG2 3.47Å; Y375-T379 WeakPolarHBondContact O-CG2 3.3Å |
| 376 | L | 65.3 | Low | 55.2 | Low | 7 Ų | 7 | 86.2 Ų | 86.2 | 4% | 0.037 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -49.5 | 177.5 | -171.7 | 89.5 | 0 | 0 | 0 | 112.1 | L261 L273 D275 N280 K282 N374 T379 | L261-L376 HydrophobicContact CD2-CD1 4.15Å; L273-L376 HydrophobicContact CD2-CD1 4.06Å; L273-L376 HydrophobicContact CG-CD1 3.9Å; D275-L376 HydrophobicContact CB-CD1 4Å; N280-L376 HydrophobicContact CB-CD2 3.56Å; K282-L376 HydrophobicContact CB-CD2 4.49Å; K282-L376 HydrophobicContact CB-CG 4.22Å; K282-L376 WeakPolarHBondContact CD-O 3.08Å; N374-L376 PolarHBondContact O-N 2.99Å; L376-T379 PolarHBondContact O-OG1 3.48Å |
| 377 | F | 68.1 | Low | 58 | Low | 53 Ų | 53 | 82.2 Ų | 82.2 | 23% | 0.232 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -24.1 | -172.7 | -61.3 | -86.7 | 0 | 0 | 0 | 113.4 | P197 Y199 K282 N374 Y375 | P197-F377 HydrophobicContact CB-CD1 3.74Å; P197-F377 HydrophobicContact CB-CE1 3.27Å; P197-F377 HydrophobicContact CB-CZ 4.35Å; P197-F377 HydrophobicContact CG-CD1 3.99Å; P197-F377 HydrophobicContact CG-CE1 3.78Å; Y199-F377 HydrophobicContact CE1-CE1 4.14Å; Y199-F377 AromaticContact CE1-CZ 3.9Å; Y199-F377 HydrophobicContact CE1-CZ 3.9Å; Y199-F377 AromaticContact CZ-CE1 3.8Å; Y199-F377 WeakPolarHBondContact OH-CE1 3.14Å; Y199-F377 WeakPolarHBondContact OH-CZ 3.22Å; K282-F377 PolarHBondContact NZ-O 3.49Å; N374-F377 HydrophobicContact CB-CD2 3.56Å; N374-F377 HydrophobicContact CB-CE2 4.08Å; N374-F377 PolarHBondContact O-N 2.95Å; Y375-F377 PolarHBondContact O-N 3.25Å |
| 378 | N | 68.2 | Low | 60.8 | Low | 52 Ų | 52 | 79 Ų | 79 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -2.4 | -174.3 | -64.8 | -10.4 | 0 | 0 | 0 | 114.5 | K340 T341 Y375 | K340-N378 WeakPolarHBondContact CA-O 3.43Å; T341-N378 PolarHBondContact N-O 3.44Å; T341-N378 PolarHBondContact OG1-O 2.99Å; Y375-N378 PolarHBondContact O-N 3.48Å |
| 379 | T | 75.7 | Confident | 63.5 | Low | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.025 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 126.5 | -178.6 | 43 | 0 | 0 | 0 | 0 | 112.1 | L273 K282 L284 T339 Y375 L376 | L273-T379 HydrophobicContact CD2-CG2 4.42Å; L273-T379 WeakPolarHBondContact CD2-OG1 3.33Å; K282-T379 PolarHBondContact NZ-O 2.82Å; L284-T379 VanDerWaalsContact CD2-O 3.29Å; L284-T379 WeakPolarHBondContact CD2-O 3.38Å; T339-T379 WeakPolarHBondContact O-CA 3.49Å; Y375-T379 HydrophobicContact CD1-CG2 3.66Å; Y375-T379 HydrophobicContact CE1-CG2 3.47Å; Y375-T379 VanDerWaalsContact CE1-CG2 3.47Å; Y375-T379 WeakPolarHBondContact O-CG2 3.3Å; L376-T379 PolarHBondContact O-OG1 3.48Å |
| 380 | E | 75.1 | Confident | 65.9 | Low | 98 Ų | 98 | 71 Ų | 71 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.9 | 177 | -70.1 | 178.2 | 177.8 | 0 | 0 | 110.9 | L338 T339 | L338-E380 WeakPolarHBondContact CA-O 3.4Å; T339-E380 PolarHBondContact N-O 3.49Å; T339-E380 PolarHBondContact O-N 3.3Å; T339-E380 VanDerWaalsContact O-N 3.12Å; T339-E380 PolarHBondContact OG1-O 3.21Å |
| 381 | I | 75.9 | Confident | 67.7 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.205 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.6 | 174.5 | -59.7 | 168.3 | 0 | 0 | 0 | 107.8 | L271 L284 L285 L336 L338 | L271-I381 HydrophobicContact CD2-CD1 4.04Å; L284-I381 HydrophobicContact CB-CD1 4.18Å; L284-I381 HydrophobicContact CB-CG1 4.49Å; L285-I381 HydrophobicContact CB-CD1 3.95Å; L285-I381 HydrophobicContact CD1-CD1 4.31Å; L336-I381 HydrophobicContact CD2-CG2 4.23Å; L338-I381 HydrophobicContact CD2-CG1 4.26Å |
| 382 | Q | 70.4 | Confident | 69.2 | Low | 130 Ų | 130 | 61.9 Ų | 61.9 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -41.8 | 179 | -171.7 | -175 | 10.6 | 0 | 0 | 112.4 | I337 T339 | I337-Q382 HydrophobicContact CG2-CB 4.35Å; I337-Q382 PolarHBondContact O-N 3.02Å; T339-Q382 HydrophobicContact CG2-CB 3.62Å; T339-Q382 HydrophobicContact CG2-CG 3.81Å |
| 383 | N | 73.3 | Confident | 70.3 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 159.7 | -172.7 | -158.6 | -0.9 | 0 | 0 | 0 | 112.5 | L336 I337 | L336-N383 CarbonylContact C-O 3.58Å; L336-N383 WeakPolarHBondContact CA-O 3.2Å; I337-N383 HydrophobicContact CB-CB 4.34Å; I337-N383 HydrophobicContact CD1-CB 4.34Å; I337-N383 PolarHBondContact N-O 3.37Å |
| 384 | C | 79.6 | Confident | 71.1 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 119.8 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | V307 L335 L336 | V307-C384 HydrophobicContact CG2-CB 4.5Å; L335-C384 CarbonylContact O-C 3.41Å; L335-C384 WeakPolarHBondContact O-CA 3.1Å; L336-C384 HydrophobicContact CD2-CB 3.75Å |
| 385 | I | 80.2 | Confident | 70.6 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.4 | -178.1 | -56.8 | 175.1 | 0 | 0 | 0 | 109.7 | R334 L335 I337 L387 S437 | R334-I385 CarbonylContact C-O 3.57Å; R334-I385 WeakPolarHBondContact CA-O 3.5Å; L335-I385 PolarHBondContact N-O 3.12Å; L335-I385 PolarHBondContact O-N 2.99Å; I337-I385 HydrophobicContact CD1-CD1 3.79Å; I385-L387 HydrophobicContact CG2-CD2 4.23Å; I385-L387 PolarHBondContact O-N 3.38Å; I385-S437 WeakPolarHBondContact CG2-O 3.45Å |
| 386 | N | 83.3 | Confident | 69.9 | Low | 72 Ų | 72 | 60.3 Ų | 60.3 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 112.8 | 171.5 | -66.9 | -13.6 | 0 | 0 | 0 | 109.7 | I332 R334 S437 | I332-N386 HydrophobicContact CG2-CB 4.02Å; R334-N386 WeakPolarHBondContact CD-OD1 3.43Å; R334-N386 WeakPolarHBondContact CG-OD1 3.34Å; R334-N386 PolarHBondContact NE-OD1 2.9Å; R334-N386 VanDerWaalsContact NE-OD1 3.11Å; N386-S437 VanDerWaalsContact O-O 3.07Å |
| 387 | L | 82.6 | Confident | 68.9 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -41.7 | -175.2 | -66.2 | 176.2 | 0 | 0 | 0 | 113.6 | L325 L333 L335 I385 L435 T438 L439 | L325-L387 HydrophobicContact CD2-CD1 3.34Å; L333-L387 HydrophobicContact CD2-CB 4.24Å; L333-L387 HydrophobicContact CD2-CD1 4.22Å; L333-L387 HydrophobicContact CG-CB 4.41Å; L333-L387 HydrophobicContact CG-CD1 4.41Å; L333-L387 PolarHBondContact O-N 2.99Å; L335-L387 HydrophobicContact CB-CD1 3.81Å; L335-L387 HydrophobicContact CB-CD2 4.33Å; L335-L387 HydrophobicContact CB-CG 4.04Å; I385-L387 HydrophobicContact CG2-CD2 4.23Å; I385-L387 PolarHBondContact O-N 3.38Å; L387-L435 HydrophobicContact CD1-CD2 4.45Å; L387-L435 HydrophobicContact CD2-CD2 4.03Å; L387-T438 CarbonylContact O-C 3.59Å; L387-T438 WeakPolarHBondContact O-CA 3.31Å; L387-L439 HydrophobicContact CB-CD1 3.97Å; L387-L439 HydrophobicContact CB-CG 4.29Å; L387-L439 HydrophobicContact CD1-CD1 3.88Å; L387-L439 HydrophobicContact CD2-CD1 4.49Å; L387-L439 HydrophobicContact CD2-CG 4.47Å; L387-L439 HydrophobicContact CG-CD1 4.36Å; L387-L439 PolarHBondContact O-N 2.94Å |
| 388 | Y | 83.6 | Confident | 67.6 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 144 | -176.5 | -178 | -98.8 | 0 | 0 | 0 | 111.5 | I332 L333 F390 F429 L439 P441 E444 | I332-Y388 WeakPolarHBondContact CA-O 3.38Å; L333-Y388 PolarHBondContact N-O 2.87Å; L333-Y388 PolarHBondContact O-N 2.83Å; Y388-F390 HydrophobicContact CD1-CD2 4.4Å; Y388-F390 HydrophobicContact CD1-CE2 4.32Å; Y388-F390 HydrophobicContact CD1-CZ 4.47Å; Y388-F390 AromaticContact CE1-CD1 3.78Å; Y388-F390 HydrophobicContact CE1-CD1 3.78Å; Y388-F390 HydrophobicContact CE1-CD2 4.14Å; Y388-F390 AromaticContact CE1-CE1 3.81Å; Y388-F390 HydrophobicContact CE1-CE1 3.81Å; Y388-F390 HydrophobicContact CE1-CE2 4.15Å; Y388-F390 AromaticContact CE1-CG 3.95Å; Y388-F390 HydrophobicContact CE1-CG 3.95Å; Y388-F390 AromaticContact CE1-CZ 4Å; Y388-F390 HydrophobicContact CE1-CZ 4Å; Y388-F429 HydrophobicContact CD1-CE1 4.48Å; Y388-F429 HydrophobicContact CD1-CE2 4.5Å; Y388-F429 AromaticContact CD1-CZ 3.68Å; Y388-F429 HydrophobicContact CD1-CZ 3.68Å; Y388-F429 AromaticContact CD2-CE1 3.83Å; Y388-F429 HydrophobicContact CD2-CE1 3.83Å; Y388-F429 AromaticContact CD2-CZ 3.83Å; Y388-F429 HydrophobicContact CD2-CZ 3.83Å; Y388-F429 AromaticContact CE1-CZ 3.94Å; Y388-F429 HydrophobicContact CE1-CZ 3.94Å; Y388-F429 HydrophobicContact CE2-CE1 4.18Å; Y388-F429 HydrophobicContact CE2-CZ 4.08Å; Y388-F429 AromaticContact CG-CE1 3.98Å; Y388-F429 HydrophobicContact CG-CE1 3.98Å; Y388-F429 AromaticContact CG-CZ 3.62Å; Y388-F429 HydrophobicContact CG-CZ 3.62Å; Y388-L439 WeakPolarHBondContact CD2-O 3.47Å; Y388-P441 HydrophobicContact CE2-CG 4.23Å; Y388-E444 PolarHBondContact OH-OE1 2.77Å |
| 389 | N | 81.9 | Confident | 66.4 | Low | 79 Ų | 79 | 77.2 Ų | 77.2 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.6 | 177.5 | -178.4 | 6.6 | 0 | 0 | 0 | 108.5 | I332 K403 | I332-N389 HydrophobicContact CG1-CB 4.36Å; N389-K403 PolarHBondContact OD1-NZ 3.49Å |
| 390 | F | 77.1 | Confident | 65 | Low | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.009 | 40% | 0.402 | C | S | . | . | trans | -65.7 | 138 | 175.3 | -74.1 | -83.1 | 0 | 0 | 0 | 110.6 | G331 Y388 K403 I405 V419 C421 Y425 S427 | G331-F390 PolarHBondContact O-N 3.01Å; Y388-F390 HydrophobicContact CD1-CD2 4.4Å; Y388-F390 HydrophobicContact CD1-CE2 4.32Å; Y388-F390 HydrophobicContact CD1-CZ 4.47Å; Y388-F390 AromaticContact CE1-CD1 3.78Å; Y388-F390 HydrophobicContact CE1-CD1 3.78Å; Y388-F390 HydrophobicContact CE1-CD2 4.14Å; Y388-F390 AromaticContact CE1-CE1 3.81Å; Y388-F390 HydrophobicContact CE1-CE1 3.81Å; Y388-F390 HydrophobicContact CE1-CE2 4.15Å; Y388-F390 AromaticContact CE1-CG 3.95Å; Y388-F390 HydrophobicContact CE1-CG 3.95Å; Y388-F390 AromaticContact CE1-CZ 4Å; Y388-F390 HydrophobicContact CE1-CZ 4Å; F390-K403 WeakPolarHBondContact O-CD 3.32Å; F390-K403 WeakPolarHBondContact O-CE 3.34Å; F390-K403 PolarHBondContact O-NZ 2.85Å; F390-I405 HydrophobicContact CD2-CG1 4.37Å; F390-I405 HydrophobicContact CE2-CG1 4.01Å; F390-V419 HydrophobicContact CE2-CG1 3.73Å; F390-V419 HydrophobicContact CZ-CB 4.15Å; F390-V419 HydrophobicContact CZ-CG1 3.84Å; F390-C421 HydrophobicContact CB-CB 4.37Å; F390-C421 HydrophobicContact CD1-CB 3.6Å; F390-C421 HydrophobicContact CD2-CB 3.75Å; F390-C421 HydrophobicContact CE1-CB 3.71Å; F390-C421 HydrophobicContact CE2-CB 3.87Å; F390-C421 HydrophobicContact CG-CB 3.62Å; F390-C421 HydrophobicContact CZ-CB 3.84Å; F390-Y425 HydrophobicContact CD1-CD2 4.37Å; F390-Y425 HydrophobicContact CD1-CG 4.28Å; F390-S427 WeakPolarHBondContact CE1-OG 3.37Å | ||
| 391 | E | 65.2 | Low | 63.9 | Low | 149 Ų | 149 | 81.9 Ų | 81.9 | 70% | 0.696 | 39% | 0.389 | S | S | * | . | trans | -75.4 | 139 | 171.2 | -68.3 | -175 | 171.4 | 0 | 0 | 110.2 | ||||
| 392 | N | 62.5 | Low | 63 | Low | 27 Ų | 27 | 81.4 Ų | 81.4 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | trans | -105.7 | 102.5 | 173.7 | -176.2 | 11 | 0 | 0 | 0 | 107.9 | I394 W401 K403 L423 | N392-I394 PolarHBondContact ND2-O 3.37Å; N392-I394 PolarHBondContact O-N 3.46Å; N392-I394 WeakPolarHBondContact OD1-CA 3.25Å; N392-I394 WeakPolarHBondContact OD1-CB 3.36Å; N392-I394 PolarHBondContact OD1-N 2.74Å; N392-I394 PolarHBondContact OD1-O 3.36Å; N392-W401 PolarHBondContact ND2-O 2.79Å; N392-K403 HydrophobicContact CB-CD 4.14Å; N392-K403 HydrophobicContact CB-CG 3.85Å; N392-K403 VanDerWaalsContact N-CE 3.31Å; N392-L423 HydrophobicContact CB-CD1 4.16Å | ||
| 393 | L | 54.1 | Low | 63 | Low | 127 Ų | 127 | 77.6 Ų | 77.6 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -71.7 | -4.7 | 175.3 | -63 | 170.8 | 0 | 0 | 0 | 112.5 | Y425 | L393-Y425 WeakPolarHBondContact CD1-OH 3.04Š|
| 394 | I | 55.6 | Low | 63.3 | Low | 26 Ų | 26 | 75.6 Ų | 75.6 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | trans | -120.7 | 74.9 | -173.2 | -44.8 | 169 | 0 | 0 | 0 | 108.5 | N392 L423 I474 F490 | N392-I394 PolarHBondContact ND2-O 3.37Å; N392-I394 PolarHBondContact O-N 3.46Å; N392-I394 WeakPolarHBondContact OD1-CA 3.25Å; N392-I394 WeakPolarHBondContact OD1-CB 3.36Å; N392-I394 PolarHBondContact OD1-N 2.74Å; N392-I394 PolarHBondContact OD1-O 3.36Å; I394-L423 HydrophobicContact CD1-CD2 3.9Å; I394-I474 HydrophobicContact CD1-CD1 3.81Å; I394-F490 HydrophobicContact CG2-CE1 4.2Å; I394-F490 HydrophobicContact CG2-CZ 4.19Å | ||
| 395 | Q | 44.3 | Very low | 63.6 | Low | 152 Ų | 152 | 75.3 Ų | 75.3 | 71% | 0.71 | 36% | 0.363 | S | S | * | . | trans | -105 | 117.6 | 165.7 | -87.4 | -176.9 | -27.7 | 0 | 0 | 109.1 | ||||
| 396 | N | 46 | Very low | 63.7 | Low | 68 Ų | 68 | 74.7 Ų | 74.7 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | trans | -151.6 | 146.2 | 165.8 | -91 | -19.6 | 0 | 0 | 0 | 108.7 | R398 Y399 N492 | N396-R398 PolarHBondContact O-N 3.04Å; N396-Y399 CarbonylContact O-C 3.55Å; N396-Y399 PolarHBondContact O-N 3.02Å; N396-N492 PolarHBondContact ND2-OD1 3.46Å | ||
| 397 | D | 44.3 | Very low | 63.8 | Low | 160 Ų | 160 | 72.2 Ų | 72.2 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.8 | -173.9 | -58.1 | -26.2 | 0 | 0 | 0 | 115.4 | ||
| 398 | R | 40.4 | Very low | 64.1 | Low | 207 Ų | 207 | 73 Ų | 73 | 78% | 0.781 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -24.5 | 178.7 | -77.8 | -169.9 | 179.7 | -177.8 | 0.5 | 115.2 | N396 | N396-R398 PolarHBondContact O-N 3.04Š|
| 399 | Y | 43.9 | Very low | 64.4 | Low | 101 Ų | 101 | 72.1 Ų | 72.1 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | trans | -133.1 | 84 | -173.7 | -63.2 | -72.1 | 0 | 0 | 0 | 110.2 | N396 W401 | N396-Y399 CarbonylContact O-C 3.55Å; N396-Y399 PolarHBondContact O-N 3.02Å; Y399-W401 PolarHBondContact O-N 2.96Å; Y399-W401 VanDerWaalsContact O-N 3.14Å | ||
| 400 | H | 45.8 | Very low | 64.7 | Low | 150 Ų | 150 | 69.8 Ų | 69.8 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | trans | -77.6 | 92.8 | 166.2 | -70 | -51.7 | 0 | 0 | 0 | 109.9 | G402 | H400-G402 PolarHBondContact O-N 3.24Š| ||
| 401 | W | 51.2 | Low | 65.2 | Low | 49 Ų | 49 | 69.8 Ų | 69.8 | 19% | 0.186 | 34% | 0.34 | C | S | . | . | trans | -74.1 | 119.2 | 163.4 | -93.8 | 51.4 | 0 | 0 | 0 | 109.5 | N392 Y399 R422 L423 C449 T472 | N392-W401 PolarHBondContact ND2-O 2.79Å; Y399-W401 PolarHBondContact O-N 2.96Å; Y399-W401 VanDerWaalsContact O-N 3.14Å; W401-R422 HydrophobicContact CE3-CG 4.26Å; W401-R422 HydrophobicContact CZ3-CG 4.13Å; W401-L423 HydrophobicContact CB-CD2 4.16Å; W401-L423 HydrophobicContact CD2-CD2 4.43Å; W401-L423 HydrophobicContact CE3-CD2 3.71Å; W401-L423 HydrophobicContact CZ3-CD2 4.47Å; W401-C449 HydrophobicContact CH2-CB 4.07Å; W401-C449 HydrophobicContact CZ3-CB 3.82Å; W401-T472 HydrophobicContact CZ2-CG2 4.12Å | ||
| 402 | G | 57.4 | Low | 66.1 | Low | 31 Ų | 31 | 64.3 Ų | 64.3 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | trans | -66.2 | 135.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H400 N404 | H400-G402 PolarHBondContact O-N 3.24Å; G402-N404 VanDerWaalsContact CA-OD1 3.26Å; G402-N404 WeakPolarHBondContact CA-OD1 3.28Å; G402-N404 PolarHBondContact O-N 3.43Å; G402-N404 PolarHBondContact O-OD1 2.79Å | ||
| 403 | K | 71.2 | Confident | 66.9 | Low | 50 Ų | 50 | 65 Ų | 65 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | trans | -70.5 | 20.3 | 175.7 | -67.1 | 169.5 | 171 | -166.2 | 0 | 113.2 | G331 N389 F390 N392 I405 C421 L423 | G331-K403 WeakPolarHBondContact CA-O 3.45Å; N389-K403 PolarHBondContact OD1-NZ 3.49Å; F390-K403 WeakPolarHBondContact O-CD 3.32Å; F390-K403 WeakPolarHBondContact O-CE 3.34Å; F390-K403 PolarHBondContact O-NZ 2.85Å; N392-K403 HydrophobicContact CB-CD 4.14Å; N392-K403 HydrophobicContact CB-CG 3.85Å; N392-K403 VanDerWaalsContact N-CE 3.31Å; K403-I405 PolarHBondContact O-N 2.97Å; K403-C421 VanDerWaalsContact C-SG 3.55Å; K403-C421 PolarHBondContact O-SG 3.31Å; K403-L423 HydrophobicContact CG-CD1 4.26Å | ||
| 404 | N | 79.8 | Confident | 68.2 | Low | 38 Ų | 38 | 64.1 Ų | 64.1 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | trans | -46.2 | 125.9 | -166.5 | -54.2 | 27.3 | 0 | 0 | 0 | 111.3 | G328 R329 G402 T406 C421 R422 | G328-N404 WeakPolarHBondContact O-CA 3.38Å; R329-N404 PolarHBondContact O-OD1 3.36Å; G402-N404 VanDerWaalsContact CA-OD1 3.26Å; G402-N404 WeakPolarHBondContact CA-OD1 3.28Å; G402-N404 PolarHBondContact O-N 3.43Å; G402-N404 PolarHBondContact O-OD1 2.79Å; N404-T406 PolarHBondContact O-N 3.45Å; N404-C421 WeakPolarHBondContact O-CA 3.26Å; N404-R422 HydrophobicContact CB-CB 4.36Å; N404-R422 PolarHBondContact O-N 3.08Å | ||
| 405 | I | 85 | Confident | 69.5 | Low | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.4 | 163.1 | -68.7 | 170 | 0 | 0 | 0 | 106.8 | Y316 G328 L333 F390 K403 V419 S420 | Y316-I405 HydrophobicContact CD2-CB 4.43Å; Y316-I405 HydrophobicContact CD2-CG2 3.8Å; Y316-I405 HydrophobicContact CE2-CG2 4.25Å; Y316-I405 WeakPolarHBondContact CE2-O 3.41Å; G328-I405 PolarHBondContact O-N 3.09Å; L333-I405 HydrophobicContact CB-CD1 4.27Å; F390-I405 HydrophobicContact CD2-CG1 4.37Å; F390-I405 HydrophobicContact CE2-CG1 4.01Å; K403-I405 PolarHBondContact O-N 2.97Å; I405-V419 HydrophobicContact CD1-CG1 4.16Å; I405-V419 HydrophobicContact CG1-CG1 4.14Å; I405-V419 HydrophobicContact CG2-CG1 4Å; I405-S420 CarbonylContact C-O 3.52Å; I405-S420 VanDerWaalsContact CA-O 3.27Å; I405-S420 WeakPolarHBondContact CA-O 3.41Å |
| 406 | T | 82.6 | Confident | 71.5 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -14.8 | -173.5 | 39.1 | 0 | 0 | 0 | 0 | 114 | Y20 Y316 N404 S420 R422 | Y20-T406 HydrophobicContact CD2-CG2 4.05Å; Y20-T406 WeakPolarHBondContact CD2-OG1 3.2Å; Y20-T406 HydrophobicContact CE2-CG2 4.42Å; Y316-T406 VanDerWaalsContact CZ-O 3.23Å; Y316-T406 PolarHBondContact OH-O 3.13Å; N404-T406 PolarHBondContact O-N 3.45Å; T406-S420 PolarHBondContact N-O 3.39Å; T406-S420 WeakPolarHBondContact OG1-CB 2.94Å; T406-S420 PolarHBondContact OG1-O 2.96Å; T406-S420 PolarHBondContact OG1-OG 3.01Å; T406-R422 HydrophobicContact CG2-CB 3.88Å |
| 407 | S | 85.7 | Confident | 73.6 | Confident | 20 Ų | 20 | 63 Ų | 63 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 151.2 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | Y20 F22 S420 | Y20-S407 WeakPolarHBondContact O-CB 3.39Å; Y20-S407 PolarHBondContact O-OG 3.29Å; F22-S407 WeakPolarHBondContact CZ-O 3.47Å; S407-S420 WeakPolarHBondContact CB-OG 3.48Å; S407-S420 PolarHBondContact N-OG 3.05Å; S407-S420 PolarHBondContact O-N 3.41Å; S407-S420 PolarHBondContact O-OG 2.88Å; S407-S420 VanDerWaalsContact O-OG 3.11Å |
| 408 | L | 88.9 | Confident | 75.7 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.4 | -177.2 | -175.4 | 68.6 | 0 | 0 | 0 | 108.3 | Y316 L318 L333 I417 V419 | Y316-L408 HydrophobicContact CG-CB 4.37Å; L318-L408 HydrophobicContact CB-CD2 4.11Å; L318-L408 HydrophobicContact CD1-CB 4.47Å; L318-L408 HydrophobicContact CD1-CD1 4.4Å; L318-L408 HydrophobicContact CD1-CD2 3.57Å; L318-L408 HydrophobicContact CD1-CG 3.47Å; L318-L408 VanDerWaalsContact CD1-CG 3.47Å; L318-L408 HydrophobicContact CG-CD2 3.66Å; L318-L408 HydrophobicContact CG-CG 4.04Å; L333-L408 HydrophobicContact CD1-CD1 3.94Å; L333-L408 HydrophobicContact CD1-CD2 4.41Å; L408-I417 HydrophobicContact CD1-CG2 3.56Å; L408-V419 HydrophobicContact CD1-CB 4.33Å; L408-V419 HydrophobicContact CD1-CG1 4.32Å; L408-V419 HydrophobicContact CD1-CG2 3.64Å |
| 409 | S | 88.7 | Confident | 78.1 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153 | 178.3 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | G23 I417 A418 | G23-S409 VanDerWaalsContact CA-OG 3.22Å; G23-S409 WeakPolarHBondContact CA-OG 3.42Å; S409-I417 CarbonylContact O-C 3.58Å; S409-I417 WeakPolarHBondContact O-CA 3.49Å; S409-A418 PolarHBondContact N-O 3.47Å; S409-A418 PolarHBondContact O-N 3.48Å |
| 410 | I | 89.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.8 | -178.2 | -166.9 | 162.2 | 0 | 0 | 0 | 110.9 | L318 T320 Y414 R416 I417 L431 | L318-I410 HydrophobicContact CD1-CB 4.04Å; L318-I410 HydrophobicContact CD1-CG2 4.26Å; L318-I410 HydrophobicContact CD2-CG2 4.43Å; T320-I410 HydrophobicContact CG2-CD1 3.95Å; I410-Y414 HydrophobicContact CD1-CD1 3.58Å; I410-Y414 HydrophobicContact CD1-CE1 4.41Å; I410-Y414 HydrophobicContact CD1-CG 4.16Å; I410-Y414 HydrophobicContact CG1-CD1 4.29Å; I410-Y414 HydrophobicContact CG2-CE1 4.42Å; I410-R416 CarbonylContact C-O 3.56Å; I410-R416 WeakPolarHBondContact CA-O 3.43Å; I410-R416 WeakPolarHBondContact CG1-O 3.34Å; I410-I417 HydrophobicContact CD1-CG1 4.36Å; I410-I417 HydrophobicContact CG1-CG1 4.36Å; I410-L431 HydrophobicContact CD1-CD1 4.09Å |
| 411 | S | 87.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | trans | -67.5 | 156.4 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | S413 Y414 R415 R416 | S411-S413 PolarHBondContact O-N 2.86Å; S411-S413 VanDerWaalsContact O-N 3.14Å; S411-S413 PolarHBondContact OG-OG 2.8Å; S411-Y414 WeakPolarHBondContact O-CA 3.49Å; S411-Y414 PolarHBondContact O-N 3.31Å; S411-R415 PolarHBondContact OG-N 2.79Å; S411-R416 PolarHBondContact N-O 3.49Å; S411-R416 PolarHBondContact OG-N 3.07Å; S411-R416 PolarHBondContact OG-O 2.84Å | ||
| 412 | S | 83.1 | Confident | 83.1 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.8 | 177.2 | 47.7 | 0 | 0 | 0 | 0 | 114.8 | G26 D27 Y414 | G26-S412 WeakPolarHBondContact CA-OG 3.28Å; G26-S412 PolarHBondContact O-OG 2.82Å; D27-S412 PolarHBondContact OD1-OG 3.19Å; S412-Y414 VanDerWaalsContact C-N 3.29Å; S412-Y414 WeakPolarHBondContact O-CD2 3.49Å |
| 413 | S | 80.2 | Confident | 83.9 | Confident | 41 Ų | 41 | 36 Ų | 36 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -1.6 | 175.8 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | D27 S411 R415 | D27-S413 VanDerWaalsContact CG-CB 3.42Å; D27-S413 WeakPolarHBondContact OD1-CA 3.48Å; D27-S413 WeakPolarHBondContact OD1-CB 3.44Å; D27-S413 PolarHBondContact OD1-N 2.99Å; D27-S413 PolarHBondContact OD1-OG 3.16Å; D27-S413 VanDerWaalsContact OD2-CB 3.22Å; D27-S413 WeakPolarHBondContact OD2-CB 3.29Å; D27-S413 PolarHBondContact OD2-OG 3.36Å; S411-S413 PolarHBondContact O-N 2.86Å; S411-S413 VanDerWaalsContact O-N 3.14Å; S411-S413 PolarHBondContact OG-OG 2.8Å; S413-R415 PolarHBondContact O-N 3.37Å; S413-R415 VanDerWaalsContact O-N 3.16Å |
| 414 | Y | 81 | Confident | 84.1 | Confident | 109 Ų | 109 | 33.7 Ų | 33.7 | 43% | 0.427 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 59 | 19.4 | -173.6 | -64 | -104 | 0 | 0 | 0 | 114.3 | I410 S411 S412 L431 | I410-Y414 HydrophobicContact CD1-CD1 3.58Å; I410-Y414 HydrophobicContact CD1-CE1 4.41Å; I410-Y414 HydrophobicContact CD1-CG 4.16Å; I410-Y414 HydrophobicContact CG1-CD1 4.29Å; I410-Y414 HydrophobicContact CG2-CE1 4.42Å; S411-Y414 WeakPolarHBondContact O-CA 3.49Å; S411-Y414 PolarHBondContact O-N 3.31Å; S412-Y414 VanDerWaalsContact C-N 3.29Å; S412-Y414 WeakPolarHBondContact O-CD2 3.49Å; Y414-L431 VanDerWaalsContact O-CD1 3.23Å; Y414-L431 WeakPolarHBondContact O-CD1 3.31Å |
| 415 | R | 82.8 | Confident | 84.1 | Confident | 174 Ų | 174 | 33.7 Ų | 33.7 | 66% | 0.657 | 15% | 0.154 | S | C | * | . | trans | -96.4 | -14.5 | -179.5 | -69.6 | -178.1 | 175.8 | -174.8 | -1.9 | 114.8 | S411 S413 S430 L431 | S411-R415 PolarHBondContact OG-N 2.79Å; S413-R415 PolarHBondContact O-N 3.37Å; S413-R415 VanDerWaalsContact O-N 3.16Å; R415-S430 CarbonylContact O-C 3.41Å; R415-S430 WeakPolarHBondContact O-CA 3.46Å; R415-L431 PolarHBondContact O-N 2.93Å | ||
| 416 | R | 86.8 | Confident | 84.1 | Confident | 50 Ų | 50 | 33.6 Ų | 33.6 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139.6 | -179.1 | -67.9 | 176.9 | 174.9 | 162.6 | -7.3 | 111.3 | F24 D27 I410 S411 F429 | F24-R416 HydrophobicContact CE1-CB 4.06Å; F24-R416 HydrophobicContact CZ-CB 3.9Å; D27-R416 PolarHBondContact O-NH1 3.44Å; I410-R416 CarbonylContact C-O 3.56Å; I410-R416 WeakPolarHBondContact CA-O 3.43Å; I410-R416 WeakPolarHBondContact CG1-O 3.34Å; S411-R416 PolarHBondContact N-O 3.49Å; S411-R416 PolarHBondContact OG-N 3.07Å; S411-R416 PolarHBondContact OG-O 2.84Å; R416-F429 CarbonylContact C-O 3.54Å; R416-F429 VanDerWaalsContact CA-O 3.24Å; R416-F429 WeakPolarHBondContact CA-O 3.26Å |
| 417 | I | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.4 | 175.2 | -59.4 | 161 | 0 | 0 | 0 | 108.5 | L325 L408 S409 I410 V419 L428 F429 L431 | L325-I417 HydrophobicContact CD1-CD1 3.42Å; L325-I417 VanDerWaalsContact CD1-CD1 3.42Å; L325-I417 HydrophobicContact CD1-CG1 4.37Å; L408-I417 HydrophobicContact CD1-CG2 3.56Å; S409-I417 CarbonylContact O-C 3.58Å; S409-I417 WeakPolarHBondContact O-CA 3.49Å; I410-I417 HydrophobicContact CD1-CG1 4.36Å; I410-I417 HydrophobicContact CG1-CG1 4.36Å; I417-V419 HydrophobicContact CG2-CG2 3.84Å; I417-L428 CarbonylContact O-C 3.58Å; I417-L428 WeakPolarHBondContact O-CA 3.1Å; I417-F429 PolarHBondContact N-O 2.84Å; I417-F429 PolarHBondContact O-N 3.02Å; I417-L431 HydrophobicContact CD1-CD1 3.49Å; I417-L431 VanDerWaalsContact CD1-CD1 3.49Å; I417-L431 HydrophobicContact CD1-CD2 3.53Å; I417-L431 HydrophobicContact CD1-CG 3.48Å; I417-L431 VanDerWaalsContact CD1-CG 3.48Å; I417-L431 HydrophobicContact CG1-CD1 3.62Å; I417-L431 HydrophobicContact CG1-CD2 4.49Å; I417-L431 HydrophobicContact CG1-CG 3.91Å |
| 418 | A | 89.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | F22 F24 L30 S409 L426 L428 | F22-A418 HydrophobicContact CD2-CB 3.81Å; F22-A418 HydrophobicContact CE2-CB 3.34Å; F22-A418 VanDerWaalsContact CE2-O 3.31Å; F22-A418 WeakPolarHBondContact CE2-O 3.38Å; F22-A418 HydrophobicContact CZ-CB 4.24Å; F22-A418 WeakPolarHBondContact CZ-O 3.46Å; F24-A418 HydrophobicContact CE2-CB 3.66Å; F24-A418 HydrophobicContact CZ-CB 3.86Å; L30-A418 HydrophobicContact CD1-CB 4.09Å; S409-A418 PolarHBondContact N-O 3.47Å; S409-A418 PolarHBondContact O-N 3.48Å; A418-L426 HydrophobicContact CB-CD1 4.33Å; A418-L428 HydrophobicContact CB-CD1 3.78Å |
| 419 | V | 89.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.1 | -179.8 | -167.9 | 0 | 0 | 0 | 0 | 108.4 | L333 F390 I405 L408 I417 L426 S427 F429 | L333-V419 HydrophobicContact CD1-CG2 4.39Å; L333-V419 HydrophobicContact CD2-CG2 4.05Å; F390-V419 HydrophobicContact CE2-CG1 3.73Å; F390-V419 HydrophobicContact CZ-CB 4.15Å; F390-V419 HydrophobicContact CZ-CG1 3.84Å; I405-V419 HydrophobicContact CD1-CG1 4.16Å; I405-V419 HydrophobicContact CG1-CG1 4.14Å; I405-V419 HydrophobicContact CG2-CG1 4Å; L408-V419 HydrophobicContact CD1-CB 4.33Å; L408-V419 HydrophobicContact CD1-CG1 4.32Å; L408-V419 HydrophobicContact CD1-CG2 3.64Å; I417-V419 HydrophobicContact CG2-CG2 3.84Å; V419-L426 CarbonylContact O-C 3.5Å; V419-L426 WeakPolarHBondContact O-CA 3.28Å; V419-S427 PolarHBondContact N-O 3.24Å; V419-S427 PolarHBondContact O-N 2.87Å; V419-F429 HydrophobicContact CB-CE2 4.04Å; V419-F429 HydrophobicContact CG2-CD2 3.78Å; V419-F429 HydrophobicContact CG2-CE2 3.56Å |
| 420 | S | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 151.5 | 174.4 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | Y20 F22 I405 T406 S407 Y425 | Y20-S420 VanDerWaalsContact CB-OG 3.25Å; Y20-S420 WeakPolarHBondContact CB-OG 3.36Å; Y20-S420 VanDerWaalsContact CG-CB 3.42Å; F22-S420 WeakPolarHBondContact CE1-OG 3.33Å; I405-S420 CarbonylContact C-O 3.52Å; I405-S420 VanDerWaalsContact CA-O 3.27Å; I405-S420 WeakPolarHBondContact CA-O 3.41Å; T406-S420 PolarHBondContact N-O 3.39Å; T406-S420 WeakPolarHBondContact OG1-CB 2.94Å; T406-S420 PolarHBondContact OG1-O 2.96Å; T406-S420 PolarHBondContact OG1-OG 3.01Å; S407-S420 WeakPolarHBondContact CB-OG 3.48Å; S407-S420 PolarHBondContact N-OG 3.05Å; S407-S420 PolarHBondContact O-N 3.41Å; S407-S420 PolarHBondContact O-OG 2.88Å; S407-S420 VanDerWaalsContact O-OG 3.11Å; S420-Y425 CarbonylContact C-O 3.59Å; S420-Y425 WeakPolarHBondContact CA-O 3.43Å |
| 421 | C | 82.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.2 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 111 | Y20 F390 K403 N404 L423 G424 Y425 | Y20-C421 WeakPolarHBondContact CE2-O 3.31Å; Y20-C421 PolarHBondContact OH-O 2.87Å; Y20-C421 VanDerWaalsContact OH-O 3.06Å; F390-C421 HydrophobicContact CB-CB 4.37Å; F390-C421 HydrophobicContact CD1-CB 3.6Å; F390-C421 HydrophobicContact CD2-CB 3.75Å; F390-C421 HydrophobicContact CE1-CB 3.71Å; F390-C421 HydrophobicContact CE2-CB 3.87Å; F390-C421 HydrophobicContact CG-CB 3.62Å; F390-C421 HydrophobicContact CZ-CB 3.84Å; K403-C421 VanDerWaalsContact C-SG 3.55Å; K403-C421 PolarHBondContact O-SG 3.31Å; N404-C421 WeakPolarHBondContact O-CA 3.26Å; C421-L423 PolarHBondContact O-N 3.26Å; C421-G424 PolarHBondContact O-N 2.99Å; C421-Y425 PolarHBondContact N-O 2.8Å |
| 422 | R | 77.6 | Confident | 82.6 | Confident | 125 Ų | 125 | 36 Ų | 36 | 47% | 0.472 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -29.3 | 173.5 | -174.9 | 173.7 | -180 | 163.8 | -0.8 | 113.6 | W401 N404 T406 G424 C449 | W401-R422 HydrophobicContact CE3-CG 4.26Å; W401-R422 HydrophobicContact CZ3-CG 4.13Å; N404-R422 HydrophobicContact CB-CB 4.36Å; N404-R422 PolarHBondContact O-N 3.08Å; T406-R422 HydrophobicContact CG2-CB 3.88Å; R422-G424 VanDerWaalsContact C-N 3.32Å; R422-G424 PolarHBondContact O-N 3.41Å; R422-C449 WeakPolarHBondContact O-CB 3.47Å |
| 423 | L | 73.8 | Confident | 81.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -13 | -176.6 | -73.5 | 169.7 | 0 | 0 | 0 | 115.8 | N392 I394 W401 K403 C421 Y425 C449 | N392-L423 HydrophobicContact CB-CD1 4.16Å; I394-L423 HydrophobicContact CD1-CD2 3.9Å; W401-L423 HydrophobicContact CB-CD2 4.16Å; W401-L423 HydrophobicContact CD2-CD2 4.43Å; W401-L423 HydrophobicContact CE3-CD2 3.71Å; W401-L423 HydrophobicContact CZ3-CD2 4.47Å; K403-L423 HydrophobicContact CG-CD1 4.26Å; C421-L423 PolarHBondContact O-N 3.26Å; L423-Y425 HydrophobicContact CB-CD2 3.77Å; L423-Y425 HydrophobicContact CB-CE2 3.81Å; L423-Y425 HydrophobicContact CD1-CE2 4.4Å; L423-C449 VanDerWaalsContact C-CB 3.48Å; L423-C449 WeakPolarHBondContact O-CB 3.17Å; L423-C449 PolarHBondContact O-SG 2.87Å |
| 424 | G | 75.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 130.4 | -20.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y20 C421 R422 T447 | Y20-G424 WeakPolarHBondContact OH-CA 3.44Å; Y20-G424 PolarHBondContact OH-N 3.09Å; Y20-G424 PolarHBondContact OH-O 3.29Å; C421-G424 PolarHBondContact O-N 2.99Å; R422-G424 VanDerWaalsContact C-N 3.32Å; R422-G424 PolarHBondContact O-N 3.41Å; G424-T447 WeakPolarHBondContact CA-O 3.4Å; G424-T447 PolarHBondContact O-N 3.11Å; G424-T447 PolarHBondContact O-OG1 3.29Å |
| 425 | Y | 80 | Confident | 79.3 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 15% | 0.153 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.5 | -166.5 | -59.5 | -80.9 | 0 | 0 | 0 | 112.4 | F390 L393 S420 C421 L423 F446 | F390-Y425 HydrophobicContact CD1-CD2 4.37Å; F390-Y425 HydrophobicContact CD1-CG 4.28Å; L393-Y425 WeakPolarHBondContact CD1-OH 3.04Å; S420-Y425 CarbonylContact C-O 3.59Å; S420-Y425 WeakPolarHBondContact CA-O 3.43Å; C421-Y425 PolarHBondContact N-O 2.8Å; L423-Y425 HydrophobicContact CB-CD2 3.77Å; L423-Y425 HydrophobicContact CB-CE2 3.81Å; L423-Y425 HydrophobicContact CD1-CE2 4.4Å; Y425-F446 HydrophobicContact CD1-CD2 4.04Å; Y425-F446 AromaticContact CE1-CD2 3.75Å; Y425-F446 HydrophobicContact CE1-CD2 3.75Å; Y425-F446 HydrophobicContact CE1-CE2 4.16Å; Y425-F446 HydrophobicContact CE2-CE2 4.49Å |
| 426 | L | 85.5 | Confident | 78.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 104.6 | 163.9 | 176.6 | 66.1 | 0 | 0 | 0 | 108.1 | F22 L30 I32 A418 V419 E444 I445 | F22-L426 HydrophobicContact CD1-CD1 3.75Å; F22-L426 HydrophobicContact CD2-CD1 4.1Å; F22-L426 HydrophobicContact CE1-CD1 3.52Å; F22-L426 HydrophobicContact CE2-CD1 3.89Å; F22-L426 HydrophobicContact CG-CD1 4.04Å; F22-L426 HydrophobicContact CZ-CD1 3.58Å; L30-L426 HydrophobicContact CD2-CD2 3.96Å; I32-L426 HydrophobicContact CD1-CD2 3.67Å; I32-L426 HydrophobicContact CG1-CD2 4.17Å; A418-L426 HydrophobicContact CB-CD1 4.33Å; V419-L426 CarbonylContact O-C 3.5Å; V419-L426 WeakPolarHBondContact O-CA 3.28Å; L426-E444 WeakPolarHBondContact O-CA 3.21Å; L426-I445 HydrophobicContact CB-CB 4.27Å; L426-I445 HydrophobicContact CD2-CD1 4.36Å; L426-I445 PolarHBondContact N-O 3.02Å; L426-I445 PolarHBondContact O-N 2.99Å |
| 427 | S | 87 | Confident | 77.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.8 | -175.5 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | F390 V419 E444 | F390-S427 WeakPolarHBondContact CE1-OG 3.37Å; V419-S427 PolarHBondContact N-O 3.24Å; V419-S427 PolarHBondContact O-N 2.87Å; S427-E444 PolarHBondContact OG-OE1 3.1Å |
| 428 | L | 88.2 | Confident | 76.3 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.7 | 179.2 | -149.5 | 91.5 | 0 | 0 | 0 | 110.2 | F24 L30 I43 I417 A418 P441 D442 K443 | F24-L428 HydrophobicContact CE1-CD1 4.03Å; F24-L428 HydrophobicContact CZ-CD1 3.68Å; F24-L428 HydrophobicContact CZ-CG 4.38Å; L30-L428 HydrophobicContact CD2-CD1 3.92Å; I43-L428 HydrophobicContact CD1-CD1 4.15Å; I43-L428 HydrophobicContact CD1-CD2 3.51Å; I43-L428 HydrophobicContact CD1-CG 4.48Å; I43-L428 HydrophobicContact CG1-CD2 3.93Å; I43-L428 HydrophobicContact CG2-CD2 3.85Å; I417-L428 CarbonylContact O-C 3.58Å; I417-L428 WeakPolarHBondContact O-CA 3.1Å; A418-L428 HydrophobicContact CB-CD1 3.78Å; L428-P441 CarbonylContact O-C 3.59Å; L428-P441 WeakPolarHBondContact O-CA 3.33Å; L428-D442 PolarHBondContact O-N 3.01Å; L428-K443 HydrophobicContact CB-CB 4.36Å; L428-K443 PolarHBondContact N-O 2.95Å |
| 429 | F | 87.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.5 | -179.9 | -56.7 | -85.9 | 0 | 0 | 0 | 110.4 | Y388 R416 I417 V419 L439 S440 P441 | Y388-F429 HydrophobicContact CD1-CE1 4.48Å; Y388-F429 HydrophobicContact CD1-CE2 4.5Å; Y388-F429 AromaticContact CD1-CZ 3.68Å; Y388-F429 HydrophobicContact CD1-CZ 3.68Å; Y388-F429 AromaticContact CD2-CE1 3.83Å; Y388-F429 HydrophobicContact CD2-CE1 3.83Å; Y388-F429 AromaticContact CD2-CZ 3.83Å; Y388-F429 HydrophobicContact CD2-CZ 3.83Å; Y388-F429 AromaticContact CE1-CZ 3.94Å; Y388-F429 HydrophobicContact CE1-CZ 3.94Å; Y388-F429 HydrophobicContact CE2-CE1 4.18Å; Y388-F429 HydrophobicContact CE2-CZ 4.08Å; Y388-F429 AromaticContact CG-CE1 3.98Å; Y388-F429 HydrophobicContact CG-CE1 3.98Å; Y388-F429 AromaticContact CG-CZ 3.62Å; Y388-F429 HydrophobicContact CG-CZ 3.62Å; R416-F429 CarbonylContact C-O 3.54Å; R416-F429 VanDerWaalsContact CA-O 3.24Å; R416-F429 WeakPolarHBondContact CA-O 3.26Å; I417-F429 PolarHBondContact N-O 2.84Å; I417-F429 PolarHBondContact O-N 3.02Å; V419-F429 HydrophobicContact CB-CE2 4.04Å; V419-F429 HydrophobicContact CG2-CD2 3.78Å; V419-F429 HydrophobicContact CG2-CE2 3.56Å; F429-L439 HydrophobicContact CB-CD1 4.47Å; F429-L439 HydrophobicContact CD1-CB 3.73Å; F429-L439 HydrophobicContact CD1-CD1 4.42Å; F429-L439 HydrophobicContact CE1-CB 4.02Å; F429-L439 HydrophobicContact CG-CD1 4.45Å; F429-S440 WeakPolarHBondContact CD1-O 3.46Å; F429-P441 HydrophobicContact CD1-CB 4.34Å; F429-P441 HydrophobicContact CE1-CB 3.81Å; F429-P441 HydrophobicContact CE1-CG 4.45Å; F429-P441 HydrophobicContact CZ-CB 4.13Å |
| 430 | S | 83 | Confident | 75.1 | Confident | 28 Ų | 28 | 52 Ų | 52 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.1 | 166.7 | -66.7 | 0 | 0 | 0 | 0 | 110.4 | R415 D442 | R415-S430 CarbonylContact O-C 3.41Å; R415-S430 WeakPolarHBondContact O-CA 3.46Å; S430-D442 WeakPolarHBondContact CB-OD2 3.31Å; S430-D442 PolarHBondContact N-OD2 3.43Å; S430-D442 PolarHBondContact OG-OD2 3.37Å |
| 431 | L | 77.1 | Confident | 74.8 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 116.3 | 171.6 | -73.3 | 167.7 | 0 | 0 | 0 | 109.5 | I410 Y414 R415 I417 L435 | I410-L431 HydrophobicContact CD1-CD1 4.09Å; Y414-L431 VanDerWaalsContact O-CD1 3.23Å; Y414-L431 WeakPolarHBondContact O-CD1 3.31Å; R415-L431 PolarHBondContact O-N 2.93Å; I417-L431 HydrophobicContact CD1-CD1 3.49Å; I417-L431 VanDerWaalsContact CD1-CD1 3.49Å; I417-L431 HydrophobicContact CD1-CD2 3.53Å; I417-L431 HydrophobicContact CD1-CG 3.48Å; I417-L431 VanDerWaalsContact CD1-CG 3.48Å; I417-L431 HydrophobicContact CG1-CD1 3.62Å; I417-L431 HydrophobicContact CG1-CD2 4.49Å; I417-L431 HydrophobicContact CG1-CG 3.91Å; L431-L435 HydrophobicContact CD2-CD1 4.24Å; L431-L435 HydrophobicContact CD2-CD2 3.99Å; L431-L435 HydrophobicContact CD2-CG 4.37Å |
| 432 | H | 69.6 | Low | 74.6 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 157 | 170.4 | -60.8 | -62.1 | 0 | 0 | 0 | 111 | H322 S434 | H322-H432 PolarHBondContact NE2-O 3.3Å; H432-S434 PolarHBondContact O-N 3.42Å; H432-S434 VanDerWaalsContact O-N 3.13Å |
| 433 | D | 59.1 | Low | 74.8 | Confident | 159 Ų | 159 | 55.2 Ų | 55.2 | 85% | 0.85 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -57.3 | -31.7 | -177.2 | -67.6 | -24.5 | 0 | 0 | 0 | 112.5 | H322 | H322-D433 PolarHBondContact NE2-O 3.15Å; H322-D433 VanDerWaalsContact NE2-O 3.08Å |
| 434 | S | 57.1 | Low | 75 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 67% | 0.671 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -105.9 | 105.5 | 167.7 | 61.6 | 0 | 0 | 0 | 0 | 111 | H432 Q436 | H432-S434 PolarHBondContact O-N 3.42Å; H432-S434 VanDerWaalsContact O-N 3.13Å; S434-Q436 PolarHBondContact O-N 3.18Å |
| 435 | L | 58.2 | Low | 75.1 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | trans | -67.1 | 124.9 | 171.6 | -91.1 | 144.5 | 0 | 0 | 0 | 110.9 | H322 L335 L387 L431 L439 | H322-L435 HydrophobicContact CB-CD1 3.37Å; H322-L435 WeakPolarHBondContact CD2-CD1 3.43Å; L335-L435 HydrophobicContact CD2-CD1 3.89Å; L387-L435 HydrophobicContact CD1-CD2 4.45Å; L387-L435 HydrophobicContact CD2-CD2 4.03Å; L431-L435 HydrophobicContact CD2-CD1 4.24Å; L431-L435 HydrophobicContact CD2-CD2 3.99Å; L431-L435 HydrophobicContact CD2-CG 4.37Å; L435-L439 HydrophobicContact CD2-CD1 4.39Å; L435-L439 HydrophobicContact CD2-CD2 4.09Å; L435-L439 HydrophobicContact CD2-CG 4.35Å | ||
| 436 | Q | 57.8 | Low | 74.8 | Confident | 149 Ų | 149 | 60.7 Ų | 60.7 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | trans | -72.5 | 160.2 | 165 | -65.9 | 179.6 | -2.3 | 0 | 0 | 109.7 | S434 T438 | S434-Q436 PolarHBondContact O-N 3.18Å; Q436-T438 PolarHBondContact O-N 3.4Å | ||
| 437 | S | 64.5 | Low | 74.2 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -60.8 | -25.2 | 179.5 | 51 | 0 | 0 | 0 | 0 | 113.4 | I385 N386 | I385-S437 WeakPolarHBondContact CG2-O 3.45Å; N386-S437 VanDerWaalsContact O-O 3.07Å |
| 438 | T | 73.4 | Confident | 73.6 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -132 | 144.1 | 175.5 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | L387 Q436 | L387-T438 CarbonylContact O-C 3.59Å; L387-T438 WeakPolarHBondContact O-CA 3.31Å; Q436-T438 PolarHBondContact O-N 3.4Å |
| 439 | L | 78 | Confident | 72.6 | Confident | 26 Ų | 26 | 62 Ų | 62 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 136.4 | 176.2 | -75.6 | 171 | 0 | 0 | 0 | 110.3 | L333 L387 Y388 F429 L435 | L333-L439 HydrophobicContact CD2-CD1 4.27Å; L387-L439 HydrophobicContact CB-CD1 3.97Å; L387-L439 HydrophobicContact CB-CG 4.29Å; L387-L439 HydrophobicContact CD1-CD1 3.88Å; L387-L439 HydrophobicContact CD2-CD1 4.49Å; L387-L439 HydrophobicContact CD2-CG 4.47Å; L387-L439 HydrophobicContact CG-CD1 4.36Å; L387-L439 PolarHBondContact O-N 2.94Å; Y388-L439 WeakPolarHBondContact CD2-O 3.47Å; F429-L439 HydrophobicContact CB-CD1 4.47Å; F429-L439 HydrophobicContact CD1-CB 3.73Å; F429-L439 HydrophobicContact CD1-CD1 4.42Å; F429-L439 HydrophobicContact CE1-CB 4.02Å; F429-L439 HydrophobicContact CG-CD1 4.45Å; L435-L439 HydrophobicContact CD2-CD1 4.39Å; L435-L439 HydrophobicContact CD2-CD2 4.09Å; L435-L439 HydrophobicContact CD2-CG 4.35Å |
| 440 | S | 76.4 | Confident | 71.9 | Confident | 90 Ų | 90 | 63 Ų | 63 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -100.9 | 139.3 | 166.8 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | F429 | F429-S440 WeakPolarHBondContact CD1-O 3.46Š|
| 441 | P | 80 | Confident | 71.7 | Confident | 41 Ų | 41 | 67 Ų | 67 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 130 | 179.3 | 28.3 | -32.1 | 0 | 0 | 0 | 111.1 | Y388 L428 F429 K443 E444 | Y388-P441 HydrophobicContact CE2-CG 4.23Å; L428-P441 CarbonylContact O-C 3.59Å; L428-P441 WeakPolarHBondContact O-CA 3.33Å; F429-P441 HydrophobicContact CD1-CB 4.34Å; F429-P441 HydrophobicContact CE1-CB 3.81Å; F429-P441 HydrophobicContact CE1-CG 4.45Å; F429-P441 HydrophobicContact CZ-CB 4.13Å; P441-K443 VanDerWaalsContact C-N 3.34Å; P441-E444 HydrophobicContact CB-CG 3.76Å; P441-E444 HydrophobicContact CG-CG 3.89Å; P441-E444 WeakPolarHBondContact CG-OE1 3.37Å |
| 442 | D | 78.9 | Confident | 72.2 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -70.9 | -34 | 174.7 | -67 | -31 | 0 | 0 | 0 | 111.6 | L428 S430 | L428-D442 PolarHBondContact O-N 3.01Å; S430-D442 WeakPolarHBondContact CB-OD2 3.31Å; S430-D442 PolarHBondContact N-OD2 3.43Å; S430-D442 PolarHBondContact OG-OD2 3.37Å |
| 443 | K | 80.5 | Confident | 73 | Confident | 62 Ų | 62 | 62 Ų | 62 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 135.9 | 179.4 | -171.5 | 169.8 | -172 | 179 | 0 | 110 | H41 N46 L428 P441 | H41-K443 PolarHBondContact CE1-NZ 2.93Å; H41-K443 PolarHBondContact NE2-NZ 3.45Å; N46-K443 PolarHBondContact OD1-NZ 3.2Å; L428-K443 HydrophobicContact CB-CB 4.36Å; L428-K443 PolarHBondContact N-O 2.95Å; P441-K443 VanDerWaalsContact C-N 3.34Å |
| 444 | E | 78.4 | Confident | 74.3 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.7 | 173.3 | -61.3 | -170.6 | 145.8 | 0 | 0 | 109.7 | Y388 L426 S427 P441 | Y388-E444 PolarHBondContact OH-OE1 2.77Å; L426-E444 WeakPolarHBondContact O-CA 3.21Å; S427-E444 PolarHBondContact OG-OE1 3.1Å; P441-E444 HydrophobicContact CB-CG 3.76Å; P441-E444 HydrophobicContact CG-CG 3.89Å; P441-E444 WeakPolarHBondContact CG-OE1 3.37Å |
| 445 | I | 76.5 | Confident | 76 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.6 | 174.4 | -59.4 | 172.3 | 0 | 0 | 0 | 106.8 | I32 L426 T447 | I32-I445 HydrophobicContact CD1-CD1 4.16Å; L426-I445 HydrophobicContact CB-CB 4.27Å; L426-I445 HydrophobicContact CD2-CD1 4.36Å; L426-I445 PolarHBondContact N-O 3.02Å; L426-I445 PolarHBondContact O-N 2.99Å; I445-T447 HydrophobicContact CG2-CG2 4.38Å |
| 446 | F | 74.4 | Confident | 77.4 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 20% | 0.202 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 138.4 | 175.3 | -172.3 | -88.1 | 0 | 0 | 0 | 111.2 | Q15 Y425 W478 L485 | Q15-F446 PolarHBondContact NE2-O 2.93Å; Q15-F446 VanDerWaalsContact NE2-O 3.13Å; Y425-F446 HydrophobicContact CD1-CD2 4.04Å; Y425-F446 AromaticContact CE1-CD2 3.75Å; Y425-F446 HydrophobicContact CE1-CD2 3.75Å; Y425-F446 HydrophobicContact CE1-CE2 4.16Å; Y425-F446 HydrophobicContact CE2-CE2 4.49Å; F446-W478 HydrophobicContact CD1-CH2 4.11Å; F446-W478 HydrophobicContact CD1-CZ3 4.47Å; F446-W478 HydrophobicContact CE1-CH2 4.17Å; F446-L485 HydrophobicContact CD1-CB 3.88Å; F446-L485 HydrophobicContact CD1-CD1 4.29Å; F446-L485 HydrophobicContact CD1-CD2 3.31Å; F446-L485 HydrophobicContact CD1-CG 3.99Å; F446-L485 HydrophobicContact CD2-CD2 4.41Å; F446-L485 HydrophobicContact CE1-CD1 4.19Å; F446-L485 HydrophobicContact CE1-CD2 3.45Å; F446-L485 VanDerWaalsContact CE1-CD2 3.45Å; F446-L485 HydrophobicContact CE1-CG 4.26Å; F446-L485 HydrophobicContact CE2-CD2 4.49Å; F446-L485 HydrophobicContact CG-CD2 3.84Å; F446-L485 HydrophobicContact CZ-CD2 4.05Å |
| 447 | T | 72.9 | Confident | 78.9 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | trans | -138.9 | 161.7 | 175.1 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | Q15 L17 G424 I445 C449 | Q15-T447 HydrophobicContact CG-CG2 4.37Å; L17-T447 HydrophobicContact CB-CG2 4.46Å; L17-T447 HydrophobicContact CD1-CG2 3.36Å; L17-T447 WeakPolarHBondContact CD1-OG1 3.2Å; L17-T447 HydrophobicContact CG-CG2 3.84Å; G424-T447 WeakPolarHBondContact CA-O 3.4Å; G424-T447 PolarHBondContact O-N 3.11Å; G424-T447 PolarHBondContact O-OG1 3.29Å; I445-T447 HydrophobicContact CG2-CG2 4.38Å; T447-C449 PolarHBondContact O-N 3.46Å | ||
| 448 | N | 75 | Confident | 79.9 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -71.4 | 131.7 | 176.5 | -171.4 | 28.3 | 0 | 0 | 0 | 111 | D450 F452 W478 | N448-D450 PolarHBondContact ND2-O 2.8Å; N448-D450 PolarHBondContact OD1-N 3.34Å; N448-F452 HydrophobicContact CB-CE1 4.16Å; N448-F452 HydrophobicContact CB-CE2 4.39Å; N448-F452 HydrophobicContact CB-CZ 3.69Å; N448-F452 WeakPolarHBondContact ND2-CD1 3.25Å; N448-F452 WeakPolarHBondContact ND2-CE1 3.27Å; N448-F452 WeakPolarHBondContact ND2-CE2 3.33Å; N448-F452 WeakPolarHBondContact ND2-CZ 3.44Å; N448-W478 HydrophobicContact CB-CH2 4.3Å; N448-W478 HydrophobicContact CB-CZ2 4.05Å | ||
| 449 | C | 66.8 | Low | 80 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 22% | 0.216 | 20% | 0.195 | C | C | . | . | trans | -97.5 | -9.4 | -179.4 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | W401 R422 L423 T447 | W401-C449 HydrophobicContact CH2-CB 4.07Å; W401-C449 HydrophobicContact CZ3-CB 3.82Å; R422-C449 WeakPolarHBondContact O-CB 3.47Å; L423-C449 VanDerWaalsContact C-CB 3.48Å; L423-C449 WeakPolarHBondContact O-CB 3.17Å; L423-C449 PolarHBondContact O-SG 2.87Å; T447-C449 PolarHBondContact O-N 3.46Å | ||
| 450 | D | 71.7 | Confident | 79.6 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -120.7 | 163.4 | -170.9 | -164 | 18.4 | 0 | 0 | 0 | 113.2 | N448 F452 I471 T472 | N448-D450 PolarHBondContact ND2-O 2.8Å; N448-D450 PolarHBondContact OD1-N 3.34Å; D450-F452 PolarHBondContact O-N 3.13Å; D450-I471 VanDerWaalsContact OD1-CG2 3.23Å; D450-I471 WeakPolarHBondContact OD1-CG2 3.1Å; D450-I471 VanDerWaalsContact OD2-CG2 3.31Å; D450-I471 WeakPolarHBondContact OD2-CG2 3.37Å; D450-I471 PolarHBondContact OD2-N 2.85Å; D450-T472 VanDerWaalsContact OD2-CB 3.27Å; D450-T472 WeakPolarHBondContact OD2-CB 3.34Å; D450-T472 WeakPolarHBondContact OD2-CG2 3.42Å; D450-T472 PolarHBondContact OD2-N 2.73Å; D450-T472 PolarHBondContact OD2-OG1 2.92Å |
| 451 | R | 80 | Confident | 79 | Confident | 112 Ų | 112 | 43.8 Ų | 43.8 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | trans | -71.3 | 128.6 | 173.9 | -59.1 | -175.8 | -169.1 | 168.2 | -0.2 | 109.3 | G470 I471 | R451-G470 VanDerWaalsContact O-CA 3.32Å; R451-G470 WeakPolarHBondContact O-CA 3.19Å; R451-I471 HydrophobicContact CB-CG2 4.37Å; R451-I471 PolarHBondContact O-N 2.88Å | ||
| 452 | F | 87 | Confident | 78.3 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 150.7 | 172.1 | -67.5 | -62.1 | 0 | 0 | 0 | 111 | N448 D450 T468 A469 I762 C776 G777 G780 L781 L782 | N448-F452 HydrophobicContact CB-CE1 4.16Å; N448-F452 HydrophobicContact CB-CE2 4.39Å; N448-F452 HydrophobicContact CB-CZ 3.69Å; N448-F452 WeakPolarHBondContact ND2-CD1 3.25Å; N448-F452 WeakPolarHBondContact ND2-CE1 3.27Å; N448-F452 WeakPolarHBondContact ND2-CE2 3.33Å; N448-F452 WeakPolarHBondContact ND2-CZ 3.44Å; D450-F452 PolarHBondContact O-N 3.13Å; F452-T468 HydrophobicContact CD1-CG2 4.22Å; F452-T468 HydrophobicContact CE1-CG2 3.78Å; F452-T468 VanDerWaalsContact CE1-OG1 3.31Å; F452-T468 WeakPolarHBondContact CE1-OG1 3.09Å; F452-T468 HydrophobicContact CZ-CG2 4.3Å; F452-A469 CarbonylContact C-O 3.57Å; F452-A469 WeakPolarHBondContact CA-O 3.1Å; F452-I762 WeakPolarHBondContact O-CD1 3.47Å; F452-C776 HydrophobicContact CB-CB 4.25Å; F452-C776 HydrophobicContact CD2-CB 3.84Å; F452-C776 HydrophobicContact CE2-CB 4.36Å; F452-C776 HydrophobicContact CG-CB 4.05Å; F452-G777 WeakPolarHBondContact CD2-O 3.41Å; F452-G780 VanDerWaalsContact CE2-C 3.46Å; F452-G780 WeakPolarHBondContact CE2-O 3.16Å; F452-L781 WeakPolarHBondContact CE2-O 3.42Å; F452-L782 HydrophobicContact CE2-CB 4.12Å; F452-L782 HydrophobicContact CZ-CB 4.19Å |
| 453 | V | 85.8 | Confident | 78.2 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | -33.3 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A469 I471 H496 I762 | V453-A469 PolarHBondContact N-O 2.77Å; V453-I471 VanDerWaalsContact CG2-CA 3.44Å; V453-I471 HydrophobicContact CG2-CB 3.61Å; V453-I471 HydrophobicContact CG2-CG1 4.22Å; V453-H496 WeakPolarHBondContact CG1-O 3.17Å; V453-I762 VanDerWaalsContact O-CG2 3.28Å; V453-I762 WeakPolarHBondContact O-CG2 3.45Å |
| 454 | G | 86.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 168.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A469 | G454-A469 PolarHBondContact O-N 2.86Å |
| 455 | M | 92.1 | Very high | 78.8 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.069 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 151.8 | -179.4 | 173.3 | -175.6 | 75.7 | 0 | 0 | 108.5 | C466 V467 T468 A763 E765 I774 C776 L782 | M455-C466 VanDerWaalsContact CG-SG 3.58Å; M455-C466 VanDerWaalsContact SD-SG 3.69Å; M455-V467 CarbonylContact C-O 3.4Å; M455-V467 VanDerWaalsContact CA-O 3.25Å; M455-V467 WeakPolarHBondContact CA-O 3.3Å; M455-T468 HydrophobicContact CB-CG2 4.29Å; M455-T468 HydrophobicContact CG-CG2 4.04Å; M455-A763 HydrophobicContact CB-CB 4.15Å; M455-A763 HydrophobicContact CE-CB 4.41Å; M455-E765 HydrophobicContact CE-CB 4.34Å; M455-I774 HydrophobicContact CE-CB 4.37Å; M455-I774 HydrophobicContact CE-CG2 3.99Å; M455-I774 WeakPolarHBondContact CE-O 3.34Å; M455-I774 HydrophobicContact SD-CG2 3.55Å; M455-I774 VanDerWaalsContact SD-CG2 3.55Å; M455-C776 HydrophobicContact CB-CB 4.24Å; M455-C776 VanDerWaalsContact CB-SG 3.56Å; M455-C776 HydrophobicContact SD-CB 3.81Å; M455-L782 HydrophobicContact SD-CD1 3.57Å; M455-L782 VanDerWaalsContact SD-CD1 3.57Å |
| 456 | G | 89.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 176.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V467 I500 E765 | G456-V467 PolarHBondContact N-O 3.26Å; G456-V467 PolarHBondContact O-N 2.79Å; G456-I500 VanDerWaalsContact O-CD1 3.23Å; G456-I500 WeakPolarHBondContact O-CD1 3.25Å; G456-E765 WeakPolarHBondContact CA-OE2 3.14Å |
| 457 | L | 88.5 | Confident | 80.2 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.2 | -179.6 | -58.5 | 175.4 | 0 | 0 | 0 | 112.6 | I465 C466 E765 F766 I774 | L457-I465 WeakPolarHBondContact CA-O 3.47Å; L457-C466 HydrophobicContact CD2-CB 3.79Å; L457-E765 HydrophobicContact CD1-CB 4.12Å; L457-E765 HydrophobicContact CD1-CG 4.03Å; L457-E765 HydrophobicContact CG-CB 4.39Å; L457-E765 HydrophobicContact CG-CG 4.37Å; L457-E765 PolarHBondContact N-OE2 3.32Å; L457-F766 WeakPolarHBondContact CD1-O 3.33Å; L457-I774 HydrophobicContact CD1-CD1 4.2Å; L457-I774 HydrophobicContact CD2-CD1 3.47Å; L457-I774 VanDerWaalsContact CD2-CD1 3.47Å; L457-I774 HydrophobicContact CG-CD1 4.49Å |
| 458 | I | 85.7 | Confident | 81.1 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 111.7 | 170.8 | -61.5 | 177.2 | 0 | 0 | 0 | 108 | I465 V467 I500 P505 F521 | I458-I465 PolarHBondContact N-O 3.47Å; I458-I465 PolarHBondContact O-N 3.38Å; I458-V467 HydrophobicContact CD1-CG2 3.7Å; I458-V467 HydrophobicContact CG1-CG2 4.27Å; I458-I500 HydrophobicContact CD1-CD1 4.32Å; I458-I500 HydrophobicContact CD1-CG2 4.17Å; I458-I500 HydrophobicContact CG1-CD1 3.93Å; I458-I500 HydrophobicContact CG1-CG2 3.52Å; I458-P505 HydrophobicContact CG2-CB 3.69Å; I458-F521 HydrophobicContact CD1-CB 3.47Å; I458-F521 VanDerWaalsContact CD1-CB 3.47Å; I458-F521 HydrophobicContact CD1-CD2 3.61Å; I458-F521 HydrophobicContact CD1-CG 3.59Å |
| 459 | T | 75.4 | Confident | 81.9 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 110.6 | 177.5 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | T464 K768 | T459-T464 HydrophobicContact CG2-CG2 3.88Å; T459-K768 HydrophobicContact CG2-CD 3.84Å; T459-K768 HydrophobicContact CG2-CG 3.93Å; T459-K768 WeakPolarHBondContact OG1-CE 3.33Å; T459-K768 PolarHBondContact OG1-NZ 3.39Å |
| 460 | S | 69.3 | Low | 82.8 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 42% | 0.42 | 19% | 0.191 | S | C | . | . | trans | -93.2 | 168.1 | 165.5 | 76.3 | 0 | 0 | 0 | 0 | 110.4 | K462 S463 | S460-K462 PolarHBondContact O-N 3.48Å; S460-K462 PolarHBondContact OG-N 2.87Å; S460-S463 WeakPolarHBondContact CB-O 3.49Å; S460-S463 PolarHBondContact N-O 2.74Å; S460-S463 PolarHBondContact OG-N 2.86Å; S460-S463 PolarHBondContact OG-O 2.85Å | ||
| 461 | E | 63.5 | Low | 83.3 | Confident | 205 Ų | 205 | 40.1 Ų | 40.1 | 96% | 0.958 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -58.4 | -28.4 | 176.2 | -66.1 | -176.2 | 167.4 | 0 | 0 | 113.4 | ||
| 462 | K | 66.4 | Low | 83.1 | Confident | 188 Ų | 188 | 36.2 Ų | 36.2 | 82% | 0.817 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -101.9 | -38.1 | -173.1 | -66.8 | -178.2 | -180 | 176.3 | 0 | 113.5 | S460 | S460-K462 PolarHBondContact O-N 3.48Å; S460-K462 PolarHBondContact OG-N 2.87Å |
| 463 | S | 75.4 | Confident | 82.9 | Confident | 40 Ų | 40 | 36 Ų | 36 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | trans | -146.2 | 147.7 | -176 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | S460 | S460-S463 WeakPolarHBondContact CB-O 3.49Å; S460-S463 PolarHBondContact N-O 2.74Å; S460-S463 PolarHBondContact OG-N 2.86Å; S460-S463 PolarHBondContact OG-O 2.85Å | ||
| 464 | T | 83.1 | Confident | 82.8 | Confident | 30 Ų | 30 | 35.2 Ų | 35.2 | 18% | 0.184 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.9 | 171.8 | 48.3 | 0 | 0 | 0 | 0 | 108.3 | T459 C480 | T459-T464 HydrophobicContact CG2-CG2 3.88Å; T464-C480 VanDerWaalsContact C-SG 3.5Å; T464-C480 WeakPolarHBondContact O-CB 3.09Å; T464-C480 PolarHBondContact O-N 2.95Å; T464-C480 PolarHBondContact O-SG 2.81Å; T464-C480 WeakPolarHBondContact OG1-CB 3.33Å |
| 465 | I | 88.3 | Confident | 82.9 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132 | -173.5 | -52.7 | -178 | 0 | 0 | 0 | 107.9 | L457 I458 V467 C477 W478 I486 P524 | L457-I465 WeakPolarHBondContact CA-O 3.47Å; I458-I465 PolarHBondContact N-O 3.47Å; I458-I465 PolarHBondContact O-N 3.38Å; I465-V467 HydrophobicContact CG2-CG2 4.47Å; I465-C477 HydrophobicContact CG2-CB 4.25Å; I465-W478 CarbonylContact C-O 3.48Å; I465-W478 WeakPolarHBondContact CA-O 3.43Å; I465-I486 HydrophobicContact CG1-CD1 4.47Å; I465-I486 HydrophobicContact CG2-CD1 4.29Å; I465-P524 HydrophobicContact CD1-CB 3.39Å; I465-P524 HydrophobicContact CD1-CG 3.51Å; I465-P524 HydrophobicContact CG2-CB 4.42Å |
| 466 | C | 90.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.1 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | M455 L457 W478 C480 | M455-C466 VanDerWaalsContact CG-SG 3.58Å; M455-C466 VanDerWaalsContact SD-SG 3.69Å; L457-C466 HydrophobicContact CD2-CB 3.79Å; C466-W478 HydrophobicContact CB-CB 4.24Å; C466-W478 PolarHBondContact N-O 2.87Å; C466-W478 PolarHBondContact O-N 3.35Å; C466-C480 VanDerWaalsContact CB-SG 3.51Å; C466-C480 PolarHBondContact N-SG 3.01Å |
| 467 | V | 91.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | M455 G456 I458 I465 I475 N476 L498 I500 A507 F521 | M455-V467 CarbonylContact C-O 3.4Å; M455-V467 VanDerWaalsContact CA-O 3.25Å; M455-V467 WeakPolarHBondContact CA-O 3.3Å; G456-V467 PolarHBondContact N-O 3.26Å; G456-V467 PolarHBondContact O-N 2.79Å; I458-V467 HydrophobicContact CD1-CG2 3.7Å; I458-V467 HydrophobicContact CG1-CG2 4.27Å; I465-V467 HydrophobicContact CG2-CG2 4.47Å; V467-I475 HydrophobicContact CG1-CG2 3.49Å; V467-I475 VanDerWaalsContact CG1-CG2 3.49Å; V467-N476 WeakPolarHBondContact CA-O 3.45Å; V467-L498 HydrophobicContact CG1-CD2 4.22Å; V467-I500 HydrophobicContact CB-CD1 3.68Å; V467-I500 HydrophobicContact CG2-CD1 4.08Å; V467-A507 HydrophobicContact CG1-CB 4.46Å; V467-F521 HydrophobicContact CB-CE1 4.42Å; V467-F521 HydrophobicContact CB-CZ 4.45Å; V467-F521 HydrophobicContact CG1-CE1 3.68Å; V467-F521 HydrophobicContact CG1-CE2 4.12Å; V467-F521 HydrophobicContact CG1-CZ 3.47Å; V467-F521 VanDerWaalsContact CG1-CZ 3.47Å; V467-F521 HydrophobicContact CG2-CD1 3.78Å; V467-F521 HydrophobicContact CG2-CD2 4.37Å; V467-F521 HydrophobicContact CG2-CE1 3.79Å; V467-F521 HydrophobicContact CG2-CE2 4.41Å; V467-F521 HydrophobicContact CG2-CG 4.08Å; V467-F521 HydrophobicContact CG2-CZ 4.13Å |
| 468 | T | 91.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.8 | -178.6 | 61.2 | 0 | 0 | 0 | 0 | 110.3 | F452 M455 I475 N476 W478 L782 | F452-T468 HydrophobicContact CD1-CG2 4.22Å; F452-T468 HydrophobicContact CE1-CG2 3.78Å; F452-T468 VanDerWaalsContact CE1-OG1 3.31Å; F452-T468 WeakPolarHBondContact CE1-OG1 3.09Å; F452-T468 HydrophobicContact CZ-CG2 4.3Å; M455-T468 HydrophobicContact CB-CG2 4.29Å; M455-T468 HydrophobicContact CG-CG2 4.04Å; T468-I475 CarbonylContact O-C 3.56Å; T468-I475 VanDerWaalsContact O-CA 3.3Å; T468-I475 WeakPolarHBondContact O-CA 3.15Å; T468-N476 PolarHBondContact N-O 3Å; T468-N476 PolarHBondContact O-N 3.42Å; T468-N476 PolarHBondContact OG1-O 3.48Å; T468-W478 PolarHBondContact OG1-NE1 2.93Å; T468-L782 HydrophobicContact CG2-CD1 4.02Å; T468-L782 HydrophobicContact CG2-CD2 4.31Å |
| 469 | A | 90.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | F452 V453 G454 I474 I475 L498 | F452-A469 CarbonylContact C-O 3.57Å; F452-A469 WeakPolarHBondContact CA-O 3.1Å; V453-A469 PolarHBondContact N-O 2.77Å; G454-A469 PolarHBondContact O-N 2.86Å; A469-I474 CarbonylContact C-O 3.3Å; A469-I474 WeakPolarHBondContact CA-O 3.38Å; A469-I475 HydrophobicContact CB-CG1 4.01Å; A469-L498 HydrophobicContact CB-CB 3.7Å; A469-L498 HydrophobicContact CB-CD1 4.22Å; A469-L498 HydrophobicContact CB-CD2 3.73Å; A469-L498 HydrophobicContact CB-CG 4.07Å |
| 470 | G | 86.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 159 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R451 T472 G473 I474 C495 | R451-G470 VanDerWaalsContact O-CA 3.32Å; R451-G470 WeakPolarHBondContact O-CA 3.19Å; G470-T472 PolarHBondContact O-N 3.23Å; G470-G473 PolarHBondContact O-N 2.88Å; G470-I474 PolarHBondContact N-O 3.44Å; G470-C495 WeakPolarHBondContact O-CB 3.38Å |
| 471 | I | 83.1 | Confident | 83.8 | Confident | 68 Ų | 68 | 35.7 Ų | 35.7 | 35% | 0.349 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.2 | 178.7 | -171.2 | 166.5 | 0 | 0 | 0 | 112.9 | D450 R451 V453 G473 T494 C495 | D450-I471 VanDerWaalsContact OD1-CG2 3.23Å; D450-I471 WeakPolarHBondContact OD1-CG2 3.1Å; D450-I471 VanDerWaalsContact OD2-CG2 3.31Å; D450-I471 WeakPolarHBondContact OD2-CG2 3.37Å; D450-I471 PolarHBondContact OD2-N 2.85Å; R451-I471 HydrophobicContact CB-CG2 4.37Å; R451-I471 PolarHBondContact O-N 2.88Å; V453-I471 VanDerWaalsContact CG2-CA 3.44Å; V453-I471 HydrophobicContact CG2-CB 3.61Å; V453-I471 HydrophobicContact CG2-CG1 4.22Å; I471-G473 PolarHBondContact O-N 3.21Å; I471-T494 CarbonylContact O-C 3.59Å; I471-T494 WeakPolarHBondContact O-CA 3.23Å; I471-T494 VanDerWaalsContact O-CB 3.3Å; I471-T494 WeakPolarHBondContact O-CB 3.46Å; I471-C495 PolarHBondContact O-N 2.76Å |
| 472 | T | 75.2 | Confident | 84.6 | Confident | 29 Ų | 29 | 29.2 Ų | 29.2 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -9.2 | 174 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | W401 D450 G470 F490 | W401-T472 HydrophobicContact CZ2-CG2 4.12Å; D450-T472 VanDerWaalsContact OD2-CB 3.27Å; D450-T472 WeakPolarHBondContact OD2-CB 3.34Å; D450-T472 WeakPolarHBondContact OD2-CG2 3.42Å; D450-T472 PolarHBondContact OD2-N 2.73Å; D450-T472 PolarHBondContact OD2-OG1 2.92Å; G470-T472 PolarHBondContact O-N 3.23Å; T472-F490 WeakPolarHBondContact O-CE2 3.23Å |
| 473 | G | 82.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 89.9 | 11.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G470 I471 L491 D493 | G470-G473 PolarHBondContact O-N 2.88Å; I471-G473 PolarHBondContact O-N 3.21Å; G473-L491 WeakPolarHBondContact O-CB 3.18Å; G473-L491 WeakPolarHBondContact O-CG 3.04Å; G473-L491 PolarHBondContact O-N 3.03Å; G473-D493 VanDerWaalsContact CA-O 3.28Å; G473-D493 WeakPolarHBondContact CA-O 3.3Å |
| 474 | I | 84.7 | Confident | 85.6 | Confident | 16 Ų | 16 | 24.8 Ų | 24.8 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.4 | 169.2 | -58.6 | 169.5 | 0 | 0 | 0 | 108.9 | I394 A469 G470 N476 L489 F490 | I394-I474 HydrophobicContact CD1-CD1 3.81Å; A469-I474 CarbonylContact C-O 3.3Å; A469-I474 WeakPolarHBondContact CA-O 3.38Å; G470-I474 PolarHBondContact N-O 3.44Å; I474-N476 WeakPolarHBondContact CG2-OD1 3.26Å; I474-L489 CarbonylContact C-O 3.51Å; I474-L489 WeakPolarHBondContact CA-O 3.44Å; I474-F490 HydrophobicContact CG1-CD2 3.68Å; I474-F490 HydrophobicContact CG1-CE2 4.2Å |
| 475 | I | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.2 | 173.4 | -66.8 | 176 | 0 | 0 | 0 | 109.1 | V467 T468 A469 S488 L489 L491 L498 A509 I519 F521 | V467-I475 HydrophobicContact CG1-CG2 3.49Å; V467-I475 VanDerWaalsContact CG1-CG2 3.49Å; T468-I475 CarbonylContact O-C 3.56Å; T468-I475 VanDerWaalsContact O-CA 3.3Å; T468-I475 WeakPolarHBondContact O-CA 3.15Å; A469-I475 HydrophobicContact CB-CG1 4.01Å; I475-S488 CarbonylContact O-C 3.57Å; I475-S488 VanDerWaalsContact O-CA 3.28Å; I475-S488 WeakPolarHBondContact O-CA 3.29Å; I475-L489 HydrophobicContact CB-CB 4.45Å; I475-L489 PolarHBondContact N-O 3.15Å; I475-L489 PolarHBondContact O-N 3.28Å; I475-L491 HydrophobicContact CD1-CD1 3.4Å; I475-L491 VanDerWaalsContact CD1-CD1 3.4Å; I475-L491 HydrophobicContact CD1-CD2 4.25Å; I475-L491 HydrophobicContact CD1-CG 3.89Å; I475-L491 HydrophobicContact CG1-CD1 4.2Å; I475-L491 HydrophobicContact CG1-CG 4.43Å; I475-L498 HydrophobicContact CD1-CD1 4.17Å; I475-A509 HydrophobicContact CD1-CB 4.08Å; I475-I519 HydrophobicContact CD1-CD1 3.16Å; I475-F521 HydrophobicContact CG2-CE1 4.18Å; I475-F521 HydrophobicContact CG2-CZ 3.79Å |
| 476 | N | 88.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.7 | -177.2 | -71.3 | -31.9 | 0 | 0 | 0 | 110.7 | V467 T468 I474 W478 L485 S488 | V467-N476 WeakPolarHBondContact CA-O 3.45Å; T468-N476 PolarHBondContact N-O 3Å; T468-N476 PolarHBondContact O-N 3.42Å; T468-N476 PolarHBondContact OG1-O 3.48Å; I474-N476 WeakPolarHBondContact CG2-OD1 3.26Å; N476-W478 HydrophobicContact CB-CZ2 3.77Å; N476-L485 HydrophobicContact CB-CD1 3.59Å; N476-S488 VanDerWaalsContact OD1-CB 3.23Å; N476-S488 WeakPolarHBondContact OD1-CB 3.45Å |
| 477 | C | 89 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.5 | 171.9 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | I465 L485 I486 G487 F521 P524 | I465-C477 HydrophobicContact CG2-CB 4.25Å; C477-L485 WeakPolarHBondContact O-CD1 3.27Å; C477-I486 HydrophobicContact CB-CB 4.18Å; C477-I486 PolarHBondContact O-N 3.06Å; C477-G487 PolarHBondContact N-O 2.89Å; C477-F521 WeakPolarHBondContact SG-CD1 3.26Å; C477-F521 WeakPolarHBondContact SG-CE1 3.37Å; C477-P524 PolarHBondContact SG-O 3.04Å |
| 478 | W | 88.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.4 | 178.7 | -49.1 | 86.3 | 0 | 0 | 0 | 110 | Q15 F446 N448 I465 C466 T468 N476 C480 E484 L485 L782 | Q15-W478 HydrophobicContact CG-CZ3 4.04Å; F446-W478 HydrophobicContact CD1-CH2 4.11Å; F446-W478 HydrophobicContact CD1-CZ3 4.47Å; F446-W478 HydrophobicContact CE1-CH2 4.17Å; N448-W478 HydrophobicContact CB-CH2 4.3Å; N448-W478 HydrophobicContact CB-CZ2 4.05Å; I465-W478 CarbonylContact C-O 3.48Å; I465-W478 WeakPolarHBondContact CA-O 3.43Å; C466-W478 HydrophobicContact CB-CB 4.24Å; C466-W478 PolarHBondContact N-O 2.87Å; C466-W478 PolarHBondContact O-N 3.35Å; T468-W478 PolarHBondContact OG1-NE1 2.93Å; N476-W478 HydrophobicContact CB-CZ2 3.77Å; W478-C480 PolarHBondContact O-N 2.83Å; W478-E484 CarbonylContact C-O 3.12Å; W478-E484 VanDerWaalsContact CA-O 3.31Å; W478-E484 WeakPolarHBondContact CA-O 3.27Å; W478-L485 HydrophobicContact CD2-CD1 4.12Å; W478-L485 HydrophobicContact CE3-CB 4.03Å; W478-L485 HydrophobicContact CE3-CD1 4.16Å; W478-L485 HydrophobicContact CH2-CB 4.43Å; W478-L485 HydrophobicContact CH2-CD1 4Å; W478-L485 HydrophobicContact CZ2-CD1 3.97Å; W478-L485 HydrophobicContact CZ3-CB 3.85Å; W478-L485 HydrophobicContact CZ3-CD1 4.1Å; W478-L782 HydrophobicContact CB-CD2 4.17Å; W478-L782 HydrophobicContact CD2-CD2 3.91Å; W478-L782 HydrophobicContact CG-CD2 3.67Å |
| 479 | D | 86.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 120.2 | 166.4 | -177.2 | 3.9 | 0 | 0 | 0 | 108.6 | K481 T482 G483 E484 I486 | D479-K481 PolarHBondContact O-N 2.79Å; D479-K481 PolarHBondContact OD1-N 2.99Å; D479-T482 WeakPolarHBondContact CB-OG1 2.88Å; D479-T482 WeakPolarHBondContact OD2-CG2 3.02Å; D479-T482 PolarHBondContact OD2-OG1 3.23Å; D479-G483 VanDerWaalsContact O-CA 3.27Å; D479-G483 WeakPolarHBondContact O-CA 3.05Å; D479-G483 PolarHBondContact O-N 3.39Å; D479-E484 PolarHBondContact N-O 2.9Å; D479-I486 HydrophobicContact CB-CD1 3.84Å; D479-I486 HydrophobicContact CB-CG1 4.1Å |
| 480 | C | 84.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.4 | 179 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | W13 T464 C466 W478 I774 R784 | W13-C480 PolarHBondContact NE1-O 3.02Å; T464-C480 VanDerWaalsContact C-SG 3.5Å; T464-C480 WeakPolarHBondContact O-CB 3.09Å; T464-C480 PolarHBondContact O-N 2.95Å; T464-C480 PolarHBondContact O-SG 2.81Å; T464-C480 WeakPolarHBondContact OG1-CB 3.33Å; C466-C480 VanDerWaalsContact CB-SG 3.51Å; C466-C480 PolarHBondContact N-SG 3.01Å; W478-C480 PolarHBondContact O-N 2.83Å; C480-I774 HydrophobicContact CB-CD1 4.01Å; C480-R784 WeakPolarHBondContact O-CD 3.48Å; C480-R784 PolarHBondContact O-NE 3.02Å; C480-R784 PolarHBondContact O-NH1 3.35Å |
| 481 | K | 81.8 | Confident | 84 | Confident | 129 Ų | 129 | 36.1 Ų | 36.1 | 56% | 0.561 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -49.3 | -179.1 | -72.3 | -176.7 | 179.2 | 174.3 | 0 | 111.5 | W13 D479 | W13-K481 PolarHBondContact NE1-O 3.19Å; D479-K481 PolarHBondContact O-N 2.79Å; D479-K481 PolarHBondContact OD1-N 2.99Å |
| 482 | T | 80 | Confident | 83.7 | Confident | 69 Ų | 69 | 37.9 Ų | 37.9 | 42% | 0.423 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -23.6 | -175.3 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | D479 E484 | D479-T482 WeakPolarHBondContact CB-OG1 2.88Å; D479-T482 WeakPolarHBondContact OD2-CG2 3.02Å; D479-T482 PolarHBondContact OD2-OG1 3.23Å; T482-E484 VanDerWaalsContact C-N 3.28Å; T482-E484 WeakPolarHBondContact OG1-CB 3.41Å; T482-E484 PolarHBondContact OG1-N 3.19Å |
| 483 | G | 81.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | 76.3 | 12.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | D479 | D479-G483 VanDerWaalsContact O-CA 3.27Å; D479-G483 WeakPolarHBondContact O-CA 3.05Å; D479-G483 PolarHBondContact O-N 3.39Å | ||
| 484 | E | 81.7 | Confident | 84 | Confident | 132 Ų | 132 | 39.3 Ų | 39.3 | 62% | 0.617 | 21% | 0.208 | S | C | * | . | trans | -82.8 | 145.8 | 178.8 | -67.2 | -179 | 160.9 | 0 | 0 | 111.8 | W478 D479 T482 I486 | W478-E484 CarbonylContact C-O 3.12Å; W478-E484 VanDerWaalsContact CA-O 3.31Å; W478-E484 WeakPolarHBondContact CA-O 3.27Å; D479-E484 PolarHBondContact N-O 2.9Å; T482-E484 VanDerWaalsContact C-N 3.28Å; T482-E484 WeakPolarHBondContact OG1-CB 3.41Å; T482-E484 PolarHBondContact OG1-N 3.19Å; E484-I486 PolarHBondContact O-N 3.34Å | ||
| 485 | L | 82.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 38.6 Ų | 38.6 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123.7 | 172.5 | -176.4 | 80.5 | 0 | 0 | 0 | 109.4 | F446 N476 C477 W478 | F446-L485 HydrophobicContact CD1-CB 3.88Å; F446-L485 HydrophobicContact CD1-CD1 4.29Å; F446-L485 HydrophobicContact CD1-CD2 3.31Å; F446-L485 HydrophobicContact CD1-CG 3.99Å; F446-L485 HydrophobicContact CD2-CD2 4.41Å; F446-L485 HydrophobicContact CE1-CD1 4.19Å; F446-L485 HydrophobicContact CE1-CD2 3.45Å; F446-L485 VanDerWaalsContact CE1-CD2 3.45Å; F446-L485 HydrophobicContact CE1-CG 4.26Å; F446-L485 HydrophobicContact CE2-CD2 4.49Å; F446-L485 HydrophobicContact CG-CD2 3.84Å; F446-L485 HydrophobicContact CZ-CD2 4.05Å; N476-L485 HydrophobicContact CB-CD1 3.59Å; C477-L485 WeakPolarHBondContact O-CD1 3.27Å; W478-L485 HydrophobicContact CD2-CD1 4.12Å; W478-L485 HydrophobicContact CE3-CB 4.03Å; W478-L485 HydrophobicContact CE3-CD1 4.16Å; W478-L485 HydrophobicContact CH2-CB 4.43Å; W478-L485 HydrophobicContact CH2-CD1 4Å; W478-L485 HydrophobicContact CZ2-CD1 3.97Å; W478-L485 HydrophobicContact CZ3-CB 3.85Å; W478-L485 HydrophobicContact CZ3-CD1 4.1Å |
| 486 | I | 85.2 | Confident | 84.1 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 28% | 0.282 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -38 | 177.3 | -57.2 | 172.9 | 0 | 0 | 0 | 111.2 | I465 C477 D479 E484 P524 T525 | I465-I486 HydrophobicContact CG1-CD1 4.47Å; I465-I486 HydrophobicContact CG2-CD1 4.29Å; C477-I486 HydrophobicContact CB-CB 4.18Å; C477-I486 PolarHBondContact O-N 3.06Å; D479-I486 HydrophobicContact CB-CD1 3.84Å; D479-I486 HydrophobicContact CB-CG1 4.1Å; E484-I486 PolarHBondContact O-N 3.34Å; I486-P524 HydrophobicContact CG2-CB 4.07Å; I486-P524 HydrophobicContact CG2-CG 4.24Å; I486-T525 HydrophobicContact CG2-CG2 3.61Å |
| 487 | G | 83.2 | Confident | 84.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 161.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | C477 | C477-G487 PolarHBondContact N-O 2.89Å |
| 488 | S | 84.6 | Confident | 84.4 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.3 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 111 | I475 N476 | I475-S488 CarbonylContact O-C 3.57Å; I475-S488 VanDerWaalsContact O-CA 3.28Å; I475-S488 WeakPolarHBondContact O-CA 3.29Å; N476-S488 VanDerWaalsContact OD1-CB 3.23Å; N476-S488 WeakPolarHBondContact OD1-CB 3.45Å |
| 489 | L | 86.1 | Confident | 84.5 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.2 | 175 | -174.4 | 62.7 | 0 | 0 | 0 | 109.8 | I474 I475 L491 I519 P527 I529 | I474-L489 CarbonylContact C-O 3.51Å; I474-L489 WeakPolarHBondContact CA-O 3.44Å; I475-L489 HydrophobicContact CB-CB 4.45Å; I475-L489 PolarHBondContact N-O 3.15Å; I475-L489 PolarHBondContact O-N 3.28Å; L489-L491 HydrophobicContact CD2-CD2 3.87Å; L489-L491 HydrophobicContact CG-CD2 4.17Å; L489-I519 HydrophobicContact CD2-CD1 4.38Å; L489-I519 HydrophobicContact CD2-CG2 3.72Å; L489-P527 HydrophobicContact CB-CB 4.31Å; L489-P527 HydrophobicContact CB-CG 3.74Å; L489-P527 HydrophobicContact CD2-CB 4.34Å; L489-I529 HydrophobicContact CD2-CG1 3.9Å |
| 490 | F | 82.7 | Confident | 84.7 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.8 | 173.6 | -175.3 | -125.2 | 0 | 0 | 0 | 110.3 | I394 T472 I474 N492 | I394-F490 HydrophobicContact CG2-CE1 4.2Å; I394-F490 HydrophobicContact CG2-CZ 4.19Å; T472-F490 WeakPolarHBondContact O-CE2 3.23Å; I474-F490 HydrophobicContact CG1-CD2 3.68Å; I474-F490 HydrophobicContact CG1-CE2 4.2Å; F490-N492 WeakPolarHBondContact CD1-OD1 3.23Å; F490-N492 WeakPolarHBondContact CE1-OD1 3.32Å |
| 491 | L | 82.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | trans | -87.2 | -3.3 | -174.2 | -64.1 | -175.4 | 0 | 0 | 0 | 115.1 | G473 I475 L489 D493 A509 M511 M517 I519 I529 | G473-L491 WeakPolarHBondContact O-CB 3.18Å; G473-L491 WeakPolarHBondContact O-CG 3.04Å; G473-L491 PolarHBondContact O-N 3.03Å; I475-L491 HydrophobicContact CD1-CD1 3.4Å; I475-L491 VanDerWaalsContact CD1-CD1 3.4Å; I475-L491 HydrophobicContact CD1-CD2 4.25Å; I475-L491 HydrophobicContact CD1-CG 3.89Å; I475-L491 HydrophobicContact CG1-CD1 4.2Å; I475-L491 HydrophobicContact CG1-CG 4.43Å; L489-L491 HydrophobicContact CD2-CD2 3.87Å; L489-L491 HydrophobicContact CG-CD2 4.17Å; L491-D493 PolarHBondContact O-N 3.47Å; L491-A509 HydrophobicContact CD1-CB 3.85Å; L491-M511 HydrophobicContact CB-SD 4.22Å; L491-M511 HydrophobicContact CD1-CE 3.59Å; L491-M511 HydrophobicContact CD1-SD 3.73Å; L491-M517 HydrophobicContact CB-SD 4.1Å; L491-M517 HydrophobicContact CD1-SD 4.05Å; L491-M517 HydrophobicContact CD2-SD 3.95Å; L491-M517 HydrophobicContact CG-SD 4.27Å; L491-I519 HydrophobicContact CD1-CD1 4.11Å; L491-I519 HydrophobicContact CD2-CD1 3.8Å; L491-I519 HydrophobicContact CG-CD1 4.49Å; L491-I529 HydrophobicContact CD2-CD1 3.83Å; L491-I529 HydrophobicContact CD2-CG1 4.16Å | ||
| 492 | N | 77.1 | Confident | 84.9 | Confident | 105 Ų | 105 | 41.8 Ų | 41.8 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 56.8 | 11.8 | -176.1 | -67.2 | -19.5 | 0 | 0 | 0 | 115.8 | N396 F490 | N396-N492 PolarHBondContact ND2-OD1 3.46Å; F490-N492 WeakPolarHBondContact CD1-OD1 3.23Å; F490-N492 WeakPolarHBondContact CE1-OD1 3.32Å |
| 493 | D | 80 | Confident | 85 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -141.7 | 151 | 173.8 | -166.2 | -1.5 | 0 | 0 | 0 | 109.1 | G473 L491 C495 M511 S513 | G473-D493 VanDerWaalsContact CA-O 3.28Å; G473-D493 WeakPolarHBondContact CA-O 3.3Å; L491-D493 PolarHBondContact O-N 3.47Å; D493-C495 PolarHBondContact O-N 3.16Å; D493-M511 HydrophobicContact CB-CB 4.35Å; D493-M511 HydrophobicContact CB-CG 4.43Å; D493-M511 HydrophobicContact CB-SD 4Å; D493-M511 WeakPolarHBondContact OD2-CB 3.44Å; D493-S513 WeakPolarHBondContact OD2-CB 3.1Å; D493-S513 PolarHBondContact OD2-N 3.28Å; D493-S513 VanDerWaalsContact OD2-N 3.11Å; D493-S513 PolarHBondContact OD2-OG 2.75Å |
| 494 | T | 83.2 | Confident | 85.2 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | trans | -68.7 | 127.3 | 178.5 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | I471 N512 | I471-T494 CarbonylContact O-C 3.59Å; I471-T494 WeakPolarHBondContact O-CA 3.23Å; I471-T494 VanDerWaalsContact O-CB 3.3Å; I471-T494 WeakPolarHBondContact O-CB 3.46Å; T494-N512 WeakPolarHBondContact O-CB 3.43Å; T494-N512 PolarHBondContact O-N 2.85Å; T494-N512 WeakPolarHBondContact OG1-CB 3.3Å | ||
| 495 | C | 89.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.7 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | G470 I471 D493 C497 M511 | G470-C495 WeakPolarHBondContact O-CB 3.38Å; I471-C495 PolarHBondContact O-N 2.76Å; D493-C495 PolarHBondContact O-N 3.16Å; C495-C497 PolarHBondContact SG-O 2.93Å; C495-C497 VanDerWaalsContact SG-O 3.34Å; C495-M511 HydrophobicContact CB-CE 3.63Å; C495-M511 VanDerWaalsContact SG-CE 3.56Å |
| 496 | H | 88.4 | Confident | 85.8 | Confident | 86 Ų | 86 | 39.5 Ų | 39.5 | 40% | 0.398 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -26.6 | -179.4 | -107.9 | -78.8 | 0 | 0 | 0 | 113.8 | V453 G510 L540 | V453-H496 WeakPolarHBondContact CG1-O 3.17Å; H496-G510 PolarHBondContact N-O 3.45Å; H496-L540 WeakPolarHBondContact CB-O 3.27Å |
| 497 | C | 89 | Confident | 86.2 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 10% | 0.095 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 150.7 | 173.5 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | C495 A509 G510 L540 I543 | C495-C497 PolarHBondContact SG-O 2.93Å; C495-C497 VanDerWaalsContact SG-O 3.34Å; C497-A509 CarbonylContact O-C 2.91Å; C497-A509 WeakPolarHBondContact O-CA 3.27Å; C497-G510 PolarHBondContact N-O 3.38Å; C497-G510 PolarHBondContact O-N 2.77Å; C497-L540 PolarHBondContact SG-O 3.43Å; C497-L540 VanDerWaalsContact SG-O 3.35Å; C497-I543 VanDerWaalsContact SG-CD1 3.52Å; C497-I543 VanDerWaalsContact SG-CG1 3.6Å |
| 498 | L | 93.4 | Very high | 86.7 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.8 | 174.5 | 179.2 | 80.9 | 0 | 0 | 0 | 108.5 | V467 A469 I475 A507 V508 A509 | V467-L498 HydrophobicContact CG1-CD2 4.22Å; A469-L498 HydrophobicContact CB-CB 3.7Å; A469-L498 HydrophobicContact CB-CD1 4.22Å; A469-L498 HydrophobicContact CB-CD2 3.73Å; A469-L498 HydrophobicContact CB-CG 4.07Å; I475-L498 HydrophobicContact CD1-CD1 4.17Å; L498-A507 HydrophobicContact CD1-CB 4Å; L498-V508 WeakPolarHBondContact CA-O 3.44Å; L498-A509 HydrophobicContact CD1-CB 3.91Å |
| 499 | V | 90.7 | Very high | 87.1 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 21% | 0.212 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.2 | 174.8 | -162.8 | 0 | 0 | 0 | 0 | 109.1 | V508 I543 F545 | V499-V508 PolarHBondContact N-O 2.84Å; V499-V508 PolarHBondContact O-N 2.97Å; V499-I543 HydrophobicContact CB-CG2 4.29Å; V499-I543 HydrophobicContact CG2-CB 3.77Å; V499-I543 HydrophobicContact CG2-CG2 3.87Å; V499-I543 VanDerWaalsContact CG2-O 3.26Å; V499-I543 WeakPolarHBondContact CG2-O 3.37Å; V499-F545 HydrophobicContact CB-CD2 4.14Å; V499-F545 HydrophobicContact CB-CE2 4.25Å; V499-F545 HydrophobicContact CG1-CD2 3.65Å; V499-F545 HydrophobicContact CG1-CE2 4.23Å |
| 500 | I | 90.8 | Very high | 87.4 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.9 | 179.9 | -58.4 | -166.8 | 0 | 0 | 0 | 109.7 | G456 I458 V467 A507 F545 | G456-I500 VanDerWaalsContact O-CD1 3.23Å; G456-I500 WeakPolarHBondContact O-CD1 3.25Å; I458-I500 HydrophobicContact CD1-CD1 4.32Å; I458-I500 HydrophobicContact CD1-CG2 4.17Å; I458-I500 HydrophobicContact CG1-CD1 3.93Å; I458-I500 HydrophobicContact CG1-CG2 3.52Å; V467-I500 HydrophobicContact CB-CD1 3.68Å; V467-I500 HydrophobicContact CG2-CD1 4.08Å; I500-A507 HydrophobicContact CD1-CB 4.47Å; I500-A507 HydrophobicContact CG1-CB 3.97Å; I500-F545 VanDerWaalsContact C-CE2 3.49Å; I500-F545 VanDerWaalsContact O-CD2 3.28Å; I500-F545 WeakPolarHBondContact O-CD2 3.27Å |
| 501 | S | 88.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -63.7 | 129.4 | 171.7 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | V503 L504 L506 | S501-V503 PolarHBondContact O-N 2.84Å; S501-V503 PolarHBondContact OG-N 3.3Å; S501-L504 PolarHBondContact OG-N 2.83Å; S501-L506 PolarHBondContact N-O 3.44Å | ||
| 502 | P | 81.6 | Confident | 88 | Confident | 64 Ų | 64 | 31.9 Ų | 31.9 | 42% | 0.416 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -69.1 | -16 | 179.5 | 26.6 | -33.5 | 0 | 0 | 0 | 113.6 | D546 P547 | P502-D546 WeakPolarHBondContact CG-O 3.37Å; P502-P547 VanDerWaalsContact CG-O 3.28Å; P502-P547 WeakPolarHBondContact CG-O 3.38Å |
| 503 | V | 82.3 | Confident | 88.3 | Confident | 98 Ų | 98 | 28.5 Ų | 28.5 | 59% | 0.594 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -112.6 | -36.6 | -175.1 | 179.9 | 0 | 0 | 0 | 0 | 113 | S501 D548 | S501-V503 PolarHBondContact O-N 2.84Å; S501-V503 PolarHBondContact OG-N 3.3Å; V503-D548 WeakPolarHBondContact CG2-O 3.47Å |
| 504 | L | 86.1 | Confident | 88.7 | Confident | 55 Ų | 55 | 27 Ų | 27 | 29% | 0.288 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -106.1 | 152.4 | -175.5 | -62.4 | 172.3 | 0 | 0 | 0 | 111.4 | S501 L506 P568 | S501-L504 PolarHBondContact OG-N 2.83Å; L504-L506 HydrophobicContact CB-CB 4.06Å; L504-L506 PolarHBondContact O-N 3.11Å; L504-P568 HydrophobicContact CD1-CG 3.46Å; L504-P568 VanDerWaalsContact CD1-CG 3.46Å |
| 505 | P | 88.2 | Confident | 89 | Confident | 45 Ų | 45 | 25.8 Ų | 25.8 | 29% | 0.292 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -74.6 | 55.7 | 172 | 34.2 | -36.7 | 0 | 0 | 0 | 111.3 | I458 F521 | I458-P505 HydrophobicContact CG2-CB 3.69Å; P505-F521 PolarHBondContact O-N 3.31Å |
| 506 | L | 89.9 | Confident | 89.2 | Confident | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.2 | -171.1 | -174.2 | 79.3 | 0 | 0 | 0 | 109.4 | S501 L504 F518 I519 D520 V530 F572 | S501-L506 PolarHBondContact N-O 3.44Å; L504-L506 HydrophobicContact CB-CB 4.06Å; L504-L506 PolarHBondContact O-N 3.11Å; L506-F518 HydrophobicContact CD1-CB 4.3Å; L506-F518 HydrophobicContact CD2-CD1 3.95Å; L506-I519 CarbonylContact C-O 3.58Å; L506-I519 WeakPolarHBondContact CA-O 3.16Å; L506-I519 WeakPolarHBondContact CD1-O 3.49Å; L506-D520 HydrophobicContact CD1-CB 4.47Å; L506-V530 HydrophobicContact CD1-CG2 4.15Å; L506-F572 HydrophobicContact CD1-CZ 4.21Å; L506-F572 HydrophobicContact CD2-CD1 4.33Å; L506-F572 HydrophobicContact CD2-CE1 3.36Å; L506-F572 HydrophobicContact CD2-CZ 3.56Å |
| 507 | A | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 151.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V467 L498 I500 I519 F521 | V467-A507 HydrophobicContact CG1-CB 4.46Å; L498-A507 HydrophobicContact CD1-CB 4Å; I500-A507 HydrophobicContact CD1-CB 4.47Å; I500-A507 HydrophobicContact CG1-CB 3.97Å; A507-I519 PolarHBondContact N-O 3.18Å; A507-I519 PolarHBondContact O-N 3.11Å; A507-F521 HydrophobicContact CB-CD2 4.05Å; A507-F521 HydrophobicContact CB-CE2 3.35Å; A507-F521 HydrophobicContact CB-CZ 4.15Å |
| 508 | V | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.2 | -179.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | L498 V499 I516 M517 F518 I543 F545 L552 | L498-V508 WeakPolarHBondContact CA-O 3.44Å; V499-V508 PolarHBondContact N-O 2.84Å; V499-V508 PolarHBondContact O-N 2.97Å; V508-I516 HydrophobicContact CG1-CD1 3.41Å; V508-I516 VanDerWaalsContact CG1-CD1 3.41Å; V508-I516 HydrophobicContact CG1-CG1 3.23Å; V508-M517 CarbonylContact C-O 3.59Å; V508-M517 WeakPolarHBondContact CA-O 3.22Å; V508-F518 HydrophobicContact CB-CD1 4.46Å; V508-F518 HydrophobicContact CB-CE1 4.5Å; V508-F518 HydrophobicContact CG1-CD1 4.27Å; V508-F518 HydrophobicContact CG1-CE1 4.07Å; V508-F518 HydrophobicContact CG1-CZ 4.36Å; V508-F518 HydrophobicContact CG2-CD1 3.38Å; V508-F518 HydrophobicContact CG2-CE1 3.53Å; V508-F518 HydrophobicContact CG2-CG 4.31Å; V508-I543 HydrophobicContact CG1-CD1 4.23Å; V508-F545 HydrophobicContact CB-CE2 4.21Å; V508-F545 HydrophobicContact CB-CZ 4.25Å; V508-F545 HydrophobicContact CG2-CE2 3.86Å; V508-F545 HydrophobicContact CG2-CZ 3.44Å; V508-F545 VanDerWaalsContact CG2-CZ 3.44Å; V508-L552 HydrophobicContact CG1-CD2 4.05Å |
| 509 | A | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I475 L491 C497 L498 M511 M517 I519 | I475-A509 HydrophobicContact CD1-CB 4.08Å; L491-A509 HydrophobicContact CD1-CB 3.85Å; C497-A509 CarbonylContact O-C 2.91Å; C497-A509 WeakPolarHBondContact O-CA 3.27Å; L498-A509 HydrophobicContact CD1-CB 3.91Å; A509-M511 HydrophobicContact CB-CE 3.41Å; A509-M511 VanDerWaalsContact CB-CE 3.41Å; A509-M517 PolarHBondContact N-O 2.79Å; A509-M517 PolarHBondContact O-N 3.38Å; A509-I519 HydrophobicContact CB-CD1 4.22Å |
| 510 | G | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H496 C497 | H496-G510 PolarHBondContact N-O 3.45Å; C497-G510 PolarHBondContact N-O 3.38Å; C497-G510 PolarHBondContact O-N 2.77Å |
| 511 | M | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 159.2 | -171.1 | -57.1 | -67.9 | 94.6 | 0 | 0 | 112.4 | L491 D493 C495 A509 S513 G514 S515 M517 L540 | L491-M511 HydrophobicContact CB-SD 4.22Å; L491-M511 HydrophobicContact CD1-CE 3.59Å; L491-M511 HydrophobicContact CD1-SD 3.73Å; D493-M511 HydrophobicContact CB-CB 4.35Å; D493-M511 HydrophobicContact CB-CG 4.43Å; D493-M511 HydrophobicContact CB-SD 4Å; D493-M511 WeakPolarHBondContact OD2-CB 3.44Å; C495-M511 HydrophobicContact CB-CE 3.63Å; C495-M511 VanDerWaalsContact SG-CE 3.56Å; A509-M511 HydrophobicContact CB-CE 3.41Å; A509-M511 VanDerWaalsContact CB-CE 3.41Å; M511-S513 VanDerWaalsContact C-N 3.28Å; M511-S513 PolarHBondContact O-N 3.09Å; M511-G514 PolarHBondContact O-N 3.38Å; M511-S515 WeakPolarHBondContact CB-O 3.39Å; M511-S515 PolarHBondContact N-O 2.81Å; M511-M517 HydrophobicContact CG-CE 3.95Å; M511-M517 HydrophobicContact CG-CG 3.87Å; M511-M517 HydrophobicContact CG-SD 3.94Å; M511-M517 HydrophobicContact SD-CE 4.22Å; M511-M517 HydrophobicContact SD-CG 4.43Å; M511-M517 HydrophobicContact SD-SD 3.86Å; M511-L540 PolarHBondContact O-N 3.14Å |
| 512 | N | 86.6 | Confident | 89.1 | Confident | 65 Ų | 65 | 24 Ų | 24 | 35% | 0.348 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.2 | 174.9 | -179.2 | 62.5 | 0 | 0 | 0 | 113.4 | T494 G514 P539 | T494-N512 WeakPolarHBondContact O-CB 3.43Å; T494-N512 PolarHBondContact O-N 2.85Å; T494-N512 WeakPolarHBondContact OG1-CB 3.3Å; N512-G514 PolarHBondContact O-N 3.01Å; N512-P539 VanDerWaalsContact O-CA 3.27Å; N512-P539 WeakPolarHBondContact O-CA 3.4Å; N512-P539 WeakPolarHBondContact O-CG 3.47Å; N512-P539 WeakPolarHBondContact OD1-CG 3.36Å |
| 513 | S | 83.4 | Confident | 89.2 | Confident | 33 Ų | 33 | 23 Ų | 23 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -33.9 | 168.2 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | D493 M511 S515 R534 R537 | D493-S513 WeakPolarHBondContact OD2-CB 3.1Å; D493-S513 PolarHBondContact OD2-N 3.28Å; D493-S513 VanDerWaalsContact OD2-N 3.11Å; D493-S513 PolarHBondContact OD2-OG 2.75Å; M511-S513 VanDerWaalsContact C-N 3.28Å; M511-S513 PolarHBondContact O-N 3.09Å; S513-S515 PolarHBondContact OG-N 3.2Å; S513-S515 PolarHBondContact OG-OG 3.21Å; S513-R534 PolarHBondContact O-NH1 3.43Å; S513-R534 PolarHBondContact O-NH2 3.01Å; S513-R537 CarbonylContact O-C 3.59Å |
| 514 | G | 88.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 100.4 | 10 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M511 N512 L535 Y536 K538 | M511-G514 PolarHBondContact O-N 3.38Å; N512-G514 PolarHBondContact O-N 3.01Å; G514-L535 PolarHBondContact O-N 2.75Å; G514-Y536 CarbonylContact C-O 3.51Å; G514-Y536 WeakPolarHBondContact CA-O 3.45Å; G514-Y536 PolarHBondContact O-N 3.45Å; G514-K538 WeakPolarHBondContact CA-O 3.39Å |
| 515 | S | 90 | Very high | 88.9 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 149.8 | 171.3 | -57.9 | 0 | 0 | 0 | 0 | 111 | M511 S513 I533 R534 | M511-S515 WeakPolarHBondContact CB-O 3.39Å; M511-S515 PolarHBondContact N-O 2.81Å; S513-S515 PolarHBondContact OG-N 3.2Å; S513-S515 PolarHBondContact OG-OG 3.21Å; S515-I533 CarbonylContact C-O 3.3Å; S515-I533 WeakPolarHBondContact CA-O 3.38Å; S515-R534 PolarHBondContact OG-NH1 2.91Å; S515-R534 VanDerWaalsContact OG-NH1 3.17Å |
| 516 | I | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128 | 171.7 | -165.4 | 167.2 | 0 | 0 | 0 | 108.4 | V508 F518 I532 I533 L535 L540 I543 L552 A554 M564 | V508-I516 HydrophobicContact CG1-CD1 3.41Å; V508-I516 VanDerWaalsContact CG1-CD1 3.41Å; V508-I516 HydrophobicContact CG1-CG1 3.23Å; I516-F518 HydrophobicContact CD1-CZ 4.28Å; I516-F518 HydrophobicContact CG1-CE2 4.35Å; I516-F518 HydrophobicContact CG1-CZ 4.46Å; I516-F518 HydrophobicContact CG2-CE2 3.81Å; I516-F518 HydrophobicContact CG2-CZ 4.41Å; I516-I532 WeakPolarHBondContact O-CA 3.3Å; I516-I533 HydrophobicContact CG2-CB 3.78Å; I516-I533 WeakPolarHBondContact CG2-O 3.24Å; I516-I533 PolarHBondContact N-O 3.12Å; I516-I533 PolarHBondContact O-N 2.86Å; I516-L535 HydrophobicContact CB-CD1 4.08Å; I516-L535 HydrophobicContact CD1-CD1 4.32Å; I516-L535 HydrophobicContact CG2-CD1 3.79Å; I516-L535 HydrophobicContact CG2-CG 3.98Å; I516-L540 HydrophobicContact CB-CD2 4.01Å; I516-L540 HydrophobicContact CD1-CD2 4.3Å; I516-L540 HydrophobicContact CG1-CD2 4.2Å; I516-I543 HydrophobicContact CD1-CD1 3.94Å; I516-I543 HydrophobicContact CD1-CG1 4.41Å; I516-I543 HydrophobicContact CG1-CD1 4.07Å; I516-L552 HydrophobicContact CD1-CD2 3.65Å; I516-A554 HydrophobicContact CD1-CB 4.28Å; I516-M564 HydrophobicContact CD1-SD 4.13Å; I516-M564 HydrophobicContact CG2-CE 4.21Å; I516-M564 HydrophobicContact CG2-SD 4.44Å |
| 517 | M | 91.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.5 | -179.6 | -64.3 | -169.9 | 174.1 | 0 | 0 | 109.9 | L491 V508 A509 M511 I532 | L491-M517 HydrophobicContact CB-SD 4.1Å; L491-M517 HydrophobicContact CD1-SD 4.05Å; L491-M517 HydrophobicContact CD2-SD 3.95Å; L491-M517 HydrophobicContact CG-SD 4.27Å; V508-M517 CarbonylContact C-O 3.59Å; V508-M517 WeakPolarHBondContact CA-O 3.22Å; A509-M517 PolarHBondContact N-O 2.79Å; A509-M517 PolarHBondContact O-N 3.38Å; M511-M517 HydrophobicContact CG-CE 3.95Å; M511-M517 HydrophobicContact CG-CG 3.87Å; M511-M517 HydrophobicContact CG-SD 3.94Å; M511-M517 HydrophobicContact SD-CE 4.22Å; M511-M517 HydrophobicContact SD-CG 4.43Å; M511-M517 HydrophobicContact SD-SD 3.86Å; M517-I532 HydrophobicContact CE-CD1 4.11Å; M517-I532 HydrophobicContact CE-CG2 4.45Å; M517-I532 HydrophobicContact CG-CG1 4.08Å; M517-I532 HydrophobicContact CG-CG2 4.2Å |
| 518 | F | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.6 | 175.7 | -67 | -90.1 | 0 | 0 | 0 | 109.3 | L506 V508 I516 I529 V530 N531 I533 L552 M564 F572 | L506-F518 HydrophobicContact CD1-CB 4.3Å; L506-F518 HydrophobicContact CD2-CD1 3.95Å; V508-F518 HydrophobicContact CB-CD1 4.46Å; V508-F518 HydrophobicContact CB-CE1 4.5Å; V508-F518 HydrophobicContact CG1-CD1 4.27Å; V508-F518 HydrophobicContact CG1-CE1 4.07Å; V508-F518 HydrophobicContact CG1-CZ 4.36Å; V508-F518 HydrophobicContact CG2-CD1 3.38Å; V508-F518 HydrophobicContact CG2-CE1 3.53Å; V508-F518 HydrophobicContact CG2-CG 4.31Å; I516-F518 HydrophobicContact CD1-CZ 4.28Å; I516-F518 HydrophobicContact CG1-CE2 4.35Å; I516-F518 HydrophobicContact CG1-CZ 4.46Å; I516-F518 HydrophobicContact CG2-CE2 3.81Å; I516-F518 HydrophobicContact CG2-CZ 4.41Å; F518-I529 CarbonylContact O-C 3.57Å; F518-V530 HydrophobicContact CB-CB 4.35Å; F518-V530 PolarHBondContact O-N 3.07Å; F518-N531 HydrophobicContact CB-CB 4.4Å; F518-N531 HydrophobicContact CD2-CB 4.25Å; F518-N531 PolarHBondContact N-O 3.11Å; F518-N531 PolarHBondContact O-N 3.27Å; F518-I533 HydrophobicContact CE2-CD1 3.98Å; F518-I533 HydrophobicContact CE2-CG1 4.41Å; F518-L552 HydrophobicContact CE1-CD2 4.1Å; F518-L552 HydrophobicContact CZ-CD2 4.11Å; F518-M564 HydrophobicContact CE2-CE 4.06Å; F518-M564 HydrophobicContact CZ-CE 3.77Å; F518-F572 HydrophobicContact CB-CD2 4.3Å; F518-F572 HydrophobicContact CB-CE2 4.12Å; F518-F572 HydrophobicContact CD1-CB 4.32Å; F518-F572 AromaticContact CD1-CD1 3.75Å; F518-F572 HydrophobicContact CD1-CD1 3.75Å; F518-F572 AromaticContact CD1-CD2 3.94Å; F518-F572 HydrophobicContact CD1-CD2 3.94Å; F518-F572 AromaticContact CD1-CE1 3.99Å; F518-F572 HydrophobicContact CD1-CE1 3.99Å; F518-F572 HydrophobicContact CD1-CE2 4.16Å; F518-F572 AromaticContact CD1-CG 3.72Å; F518-F572 HydrophobicContact CD1-CG 3.72Å; F518-F572 HydrophobicContact CD1-CZ 4.18Å; F518-F572 HydrophobicContact CD2-CB 4.27Å; F518-F572 HydrophobicContact CD2-CD2 4.01Å; F518-F572 HydrophobicContact CD2-CG 4.17Å; F518-F572 HydrophobicContact CE1-CB 3.79Å; F518-F572 AromaticContact CE1-CD1 3.61Å; F518-F572 HydrophobicContact CE1-CD1 3.61Å; F518-F572 HydrophobicContact CE1-CD2 4.27Å; F518-F572 HydrophobicContact CE1-CE1 4.26Å; F518-F572 AromaticContact CE1-CG 3.61Å; F518-F572 HydrophobicContact CE1-CG 3.61Å; F518-F572 HydrophobicContact CE2-CB 3.71Å; F518-F572 HydrophobicContact CE2-CD2 4.32Å; F518-F572 HydrophobicContact CE2-CG 4.06Å; F518-F572 HydrophobicContact CG-CD1 4.45Å; F518-F572 AromaticContact CG-CD2 3.81Å; F518-F572 HydrophobicContact CG-CD2 3.81Å; F518-F572 HydrophobicContact CG-CE2 4.07Å; F518-F572 HydrophobicContact CG-CG 4.01Å; F518-F572 HydrophobicContact CG-CZ 4.49Å; F518-F572 HydrophobicContact CZ-CB 3.46Å; F518-F572 VanDerWaalsContact CZ-CB 3.46Å; F518-F572 HydrophobicContact CZ-CD1 4.21Å; F518-F572 HydrophobicContact CZ-CD2 4.46Å; F518-F572 AromaticContact CZ-CG 3.8Å; F518-F572 HydrophobicContact CZ-CG 3.8Å |
| 519 | I | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123.8 | -170 | -53.4 | 166.3 | 0 | 0 | 0 | 109 | I475 L489 L491 L506 A507 A509 F521 P527 R528 | I475-I519 HydrophobicContact CD1-CD1 3.16Å; L489-I519 HydrophobicContact CD2-CD1 4.38Å; L489-I519 HydrophobicContact CD2-CG2 3.72Å; L491-I519 HydrophobicContact CD1-CD1 4.11Å; L491-I519 HydrophobicContact CD2-CD1 3.8Å; L491-I519 HydrophobicContact CG-CD1 4.49Å; L506-I519 CarbonylContact C-O 3.58Å; L506-I519 WeakPolarHBondContact CA-O 3.16Å; L506-I519 WeakPolarHBondContact CD1-O 3.49Å; A507-I519 PolarHBondContact N-O 3.18Å; A507-I519 PolarHBondContact O-N 3.11Å; A509-I519 HydrophobicContact CB-CD1 4.22Å; I519-F521 HydrophobicContact CB-CE2 3.76Å; I519-F521 HydrophobicContact CB-CZ 4.2Å; I519-F521 HydrophobicContact CG2-CD2 4.3Å; I519-F521 HydrophobicContact CG2-CE1 4.41Å; I519-F521 HydrophobicContact CG2-CE2 3.44Å; I519-F521 VanDerWaalsContact CG2-CE2 3.44Å; I519-F521 HydrophobicContact CG2-CZ 3.5Å; I519-F521 WeakPolarHBondContact O-CD2 3.31Å; I519-F521 WeakPolarHBondContact O-CE2 3.15Å; I519-P527 HydrophobicContact CG2-CB 4.3Å; I519-R528 CarbonylContact C-O 3.56Å; I519-R528 VanDerWaalsContact CA-O 3.28Å; I519-R528 WeakPolarHBondContact CA-O 3.4Å; I519-R528 WeakPolarHBondContact CG2-O 3.2Å |
| 520 | D | 90.5 | Very high | 87.5 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.2 | -179 | 173.1 | 27.9 | 0 | 0 | 0 | 111.5 | L506 T522 R528 V530 | L506-D520 HydrophobicContact CD1-CB 4.47Å; D520-T522 VanDerWaalsContact OD1-CB 3.3Å; D520-T522 WeakPolarHBondContact OD1-CB 3.5Å; D520-T522 PolarHBondContact OD1-N 2.93Å; D520-T522 PolarHBondContact OD1-OG1 2.75Å; D520-T522 PolarHBondContact OD2-OG1 2.89Å; D520-R528 HydrophobicContact CB-CG 3.85Å; D520-R528 PolarHBondContact N-O 2.86Å; D520-R528 PolarHBondContact O-N 2.88Å; D520-R528 VanDerWaalsContact O-N 3.08Å; D520-R528 IonicContact OD2-CZ 2.7Å; D520-R528 IonicContact OD2-NE 2.7Å; D520-R528 PolarHBondContact OD2-NE 2.92Å; D520-R528 IonicContact OD2-NH2 3.26Å; D520-R528 PolarHBondContact OD2-NH2 3.4Å; D520-V530 HydrophobicContact CB-CG2 3.32Å |
| 521 | F | 88.4 | Confident | 87.3 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | trans | -115.8 | 18.4 | -178.5 | -65.6 | -89.8 | 0 | 0 | 0 | 112.6 | I458 V467 I475 C477 P505 A507 I519 S523 P527 | I458-F521 HydrophobicContact CD1-CB 3.47Å; I458-F521 VanDerWaalsContact CD1-CB 3.47Å; I458-F521 HydrophobicContact CD1-CD2 3.61Å; I458-F521 HydrophobicContact CD1-CG 3.59Å; V467-F521 HydrophobicContact CB-CE1 4.42Å; V467-F521 HydrophobicContact CB-CZ 4.45Å; V467-F521 HydrophobicContact CG1-CE1 3.68Å; V467-F521 HydrophobicContact CG1-CE2 4.12Å; V467-F521 HydrophobicContact CG1-CZ 3.47Å; V467-F521 VanDerWaalsContact CG1-CZ 3.47Å; V467-F521 HydrophobicContact CG2-CD1 3.78Å; V467-F521 HydrophobicContact CG2-CD2 4.37Å; V467-F521 HydrophobicContact CG2-CE1 3.79Å; V467-F521 HydrophobicContact CG2-CE2 4.41Å; V467-F521 HydrophobicContact CG2-CG 4.08Å; V467-F521 HydrophobicContact CG2-CZ 4.13Å; I475-F521 HydrophobicContact CG2-CE1 4.18Å; I475-F521 HydrophobicContact CG2-CZ 3.79Å; C477-F521 WeakPolarHBondContact SG-CD1 3.26Å; C477-F521 WeakPolarHBondContact SG-CE1 3.37Å; P505-F521 PolarHBondContact O-N 3.31Å; A507-F521 HydrophobicContact CB-CD2 4.05Å; A507-F521 HydrophobicContact CB-CE2 3.35Å; A507-F521 HydrophobicContact CB-CZ 4.15Å; I519-F521 HydrophobicContact CB-CE2 3.76Å; I519-F521 HydrophobicContact CB-CZ 4.2Å; I519-F521 HydrophobicContact CG2-CD2 4.3Å; I519-F521 HydrophobicContact CG2-CE1 4.41Å; I519-F521 HydrophobicContact CG2-CE2 3.44Å; I519-F521 VanDerWaalsContact CG2-CE2 3.44Å; I519-F521 HydrophobicContact CG2-CZ 3.5Å; I519-F521 WeakPolarHBondContact O-CD2 3.31Å; I519-F521 WeakPolarHBondContact O-CE2 3.15Å; F521-S523 PolarHBondContact O-N 2.89Å; F521-P527 HydrophobicContact CD1-CB 3.87Å; F521-P527 HydrophobicContact CE1-CB 3.55Å; F521-P527 HydrophobicContact CE1-CG 4.41Å; F521-P527 HydrophobicContact CZ-CB 4.15Å | ||
| 522 | T | 83.3 | Confident | 87.2 | Confident | 99 Ų | 99 | 42.1 Ų | 42.1 | 61% | 0.607 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -51.8 | -37.7 | 170.2 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | D520 P524 | D520-T522 VanDerWaalsContact OD1-CB 3.3Å; D520-T522 WeakPolarHBondContact OD1-CB 3.5Å; D520-T522 PolarHBondContact OD1-N 2.93Å; D520-T522 PolarHBondContact OD1-OG1 2.75Å; D520-T522 PolarHBondContact OD2-OG1 2.89Å; T522-P524 WeakPolarHBondContact O-CD 3.48Å |
| 523 | S | 82.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -108.3 | 93.8 | 167.1 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | F521 T525 S526 | F521-S523 PolarHBondContact O-N 2.89Å; S523-T525 VanDerWaalsContact C-N 3.28Å; S523-T525 PolarHBondContact O-N 2.84Å; S523-S526 CarbonylContact O-C 3.59Å; S523-S526 PolarHBondContact O-N 2.85Å; S523-S526 VanDerWaalsContact O-N 3.1Å; S523-S526 PolarHBondContact OG-O 2.8Å; S523-S526 VanDerWaalsContact OG-O 3.09Å; S523-S526 PolarHBondContact OG-OG 3.24Å |
| 524 | P | 82.5 | Confident | 87.5 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.3 | -171.7 | 28.3 | -37.7 | 0 | 0 | 0 | 114.9 | I465 C477 I486 T522 S526 | I465-P524 HydrophobicContact CD1-CB 3.39Å; I465-P524 HydrophobicContact CD1-CG 3.51Å; I465-P524 HydrophobicContact CG2-CB 4.42Å; C477-P524 PolarHBondContact SG-O 3.04Å; I486-P524 HydrophobicContact CG2-CB 4.07Å; I486-P524 HydrophobicContact CG2-CG 4.24Å; T522-P524 WeakPolarHBondContact O-CD 3.48Å; P524-S526 VanDerWaalsContact C-N 3.29Å |
| 525 | T | 81.3 | Confident | 87.6 | Confident | 97 Ų | 97 | 40.9 Ų | 40.9 | 60% | 0.595 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.9 | 173.7 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | I486 S523 | I486-T525 HydrophobicContact CG2-CG2 3.61Å; S523-T525 VanDerWaalsContact C-N 3.28Å; S523-T525 PolarHBondContact O-N 2.84Å |
| 526 | S | 80.1 | Confident | 87.6 | Confident | 69 Ų | 69 | 41.1 Ų | 41.1 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -138.1 | 69.8 | -178 | 57.9 | 0 | 0 | 0 | 0 | 109.3 | S523 P524 | S523-S526 CarbonylContact O-C 3.59Å; S523-S526 PolarHBondContact O-N 2.85Å; S523-S526 VanDerWaalsContact O-N 3.1Å; S523-S526 PolarHBondContact OG-O 2.8Å; S523-S526 VanDerWaalsContact OG-O 3.09Å; S523-S526 PolarHBondContact OG-OG 3.24Å; P524-S526 VanDerWaalsContact C-N 3.29Å |
| 527 | P | 87.5 | Confident | 87.2 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | trans | -54.8 | 140.3 | 173.6 | 25.1 | -37.6 | 0 | 0 | 0 | 111.1 | L489 I519 F521 | L489-P527 HydrophobicContact CB-CB 4.31Å; L489-P527 HydrophobicContact CB-CG 3.74Å; L489-P527 HydrophobicContact CD2-CB 4.34Å; I519-P527 HydrophobicContact CG2-CB 4.3Å; F521-P527 HydrophobicContact CD1-CB 3.87Å; F521-P527 HydrophobicContact CE1-CB 3.55Å; F521-P527 HydrophobicContact CE1-CG 4.41Å; F521-P527 HydrophobicContact CZ-CB 4.15Å | ||
| 528 | R | 85.9 | Confident | 86.9 | Confident | 147 Ų | 147 | 53.6 Ų | 53.6 | 56% | 0.555 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.8 | -175.9 | 67.2 | 179.6 | 178.8 | 166.8 | -0.5 | 112.2 | I519 D520 V530 | I519-R528 CarbonylContact C-O 3.56Å; I519-R528 VanDerWaalsContact CA-O 3.28Å; I519-R528 WeakPolarHBondContact CA-O 3.4Å; I519-R528 WeakPolarHBondContact CG2-O 3.2Å; D520-R528 HydrophobicContact CB-CG 3.85Å; D520-R528 PolarHBondContact N-O 2.86Å; D520-R528 PolarHBondContact O-N 2.88Å; D520-R528 VanDerWaalsContact O-N 3.08Å; D520-R528 IonicContact OD2-CZ 2.7Å; D520-R528 IonicContact OD2-NE 2.7Å; D520-R528 PolarHBondContact OD2-NE 2.92Å; D520-R528 IonicContact OD2-NH2 3.26Å; D520-R528 PolarHBondContact OD2-NH2 3.4Å; R528-V530 PolarHBondContact O-N 3.45Å |
| 529 | I | 87.7 | Confident | 86.6 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 35% | 0.354 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.6 | 171.2 | -53.1 | 176.8 | 0 | 0 | 0 | 108.2 | L489 L491 F518 I532 | L489-I529 HydrophobicContact CD2-CG1 3.9Å; L491-I529 HydrophobicContact CD2-CD1 3.83Å; L491-I529 HydrophobicContact CD2-CG1 4.16Å; F518-I529 CarbonylContact O-C 3.57Å; I529-I532 HydrophobicContact CG2-CD1 4.13Å; I529-I532 HydrophobicContact CG2-CG1 3.78Å |
| 530 | V | 86.3 | Confident | 86.5 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -47.1 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | L506 F518 D520 R528 F572 | L506-V530 HydrophobicContact CD1-CG2 4.15Å; F518-V530 HydrophobicContact CB-CB 4.35Å; F518-V530 PolarHBondContact O-N 3.07Å; D520-V530 HydrophobicContact CB-CG2 3.32Å; R528-V530 PolarHBondContact O-N 3.45Å; V530-F572 HydrophobicContact CG1-CE2 3.96Å |
| 531 | N | 87.6 | Confident | 86.4 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 152.7 | -177.1 | -157.4 | 3.6 | 0 | 0 | 0 | 110.9 | F518 S571 F572 | F518-N531 HydrophobicContact CB-CB 4.4Å; F518-N531 HydrophobicContact CD2-CB 4.25Å; F518-N531 PolarHBondContact N-O 3.11Å; F518-N531 PolarHBondContact O-N 3.27Å; N531-S571 PolarHBondContact ND2-O 3.25Å; N531-F572 HydrophobicContact CB-CD2 4.22Å |
| 532 | I | 88.6 | Confident | 86.5 | Confident | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.297 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.9 | 176.2 | -55.3 | 175.3 | 0 | 0 | 0 | 107 | I516 M517 I529 | I516-I532 WeakPolarHBondContact O-CA 3.3Å; M517-I532 HydrophobicContact CE-CD1 4.11Å; M517-I532 HydrophobicContact CE-CG2 4.45Å; M517-I532 HydrophobicContact CG-CG1 4.08Å; M517-I532 HydrophobicContact CG-CG2 4.2Å; I529-I532 HydrophobicContact CG2-CD1 4.13Å; I529-I532 HydrophobicContact CG2-CG1 3.78Å |
| 533 | I | 89.2 | Confident | 86.9 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.7 | -179.6 | -54.8 | 177.6 | 0 | 0 | 0 | 108.8 | S515 I516 F518 L535 M564 F572 P574 | S515-I533 CarbonylContact C-O 3.3Å; S515-I533 WeakPolarHBondContact CA-O 3.38Å; I516-I533 HydrophobicContact CG2-CB 3.78Å; I516-I533 WeakPolarHBondContact CG2-O 3.24Å; I516-I533 PolarHBondContact N-O 3.12Å; I516-I533 PolarHBondContact O-N 2.86Å; F518-I533 HydrophobicContact CE2-CD1 3.98Å; F518-I533 HydrophobicContact CE2-CG1 4.41Å; I533-L535 HydrophobicContact CG2-CD2 3.85Å; I533-L535 HydrophobicContact CG2-CG 4.42Å; I533-L535 PolarHBondContact O-N 3.34Å; I533-M564 HydrophobicContact CD1-CE 3.95Å; I533-F572 HydrophobicContact CD1-CB 4.29Å; I533-F572 WeakPolarHBondContact CD1-O 3.3Å; I533-P574 HydrophobicContact CG2-CG 4.44Å |
| 534 | R | 88.1 | Confident | 87.3 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 97.7 | 176.3 | -172.5 | 128.3 | -176.3 | 79 | 0.2 | 110.9 | S513 S515 Y536 W884 | S513-R534 PolarHBondContact O-NH1 3.43Å; S513-R534 PolarHBondContact O-NH2 3.01Å; S515-R534 PolarHBondContact OG-NH1 2.91Å; S515-R534 VanDerWaalsContact OG-NH1 3.17Å; R534-Y536 PolarHBondContact NH1-O 3.04Å; R534-Y536 PolarHBondContact NH2-O 2.88Å; R534-W884 PolarHBondContact O-N 3.32Å; R534-W884 VanDerWaalsContact O-N 3.08Å |
| 535 | L | 90.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -84 | -43.4 | -179.6 | -63.7 | 179.4 | 0 | 0 | 0 | 112.4 | G514 I516 I533 A554 I562 M564 P574 W884 | G514-L535 PolarHBondContact O-N 2.75Å; I516-L535 HydrophobicContact CB-CD1 4.08Å; I516-L535 HydrophobicContact CD1-CD1 4.32Å; I516-L535 HydrophobicContact CG2-CD1 3.79Å; I516-L535 HydrophobicContact CG2-CG 3.98Å; I533-L535 HydrophobicContact CG2-CD2 3.85Å; I533-L535 HydrophobicContact CG2-CG 4.42Å; I533-L535 PolarHBondContact O-N 3.34Å; L535-A554 HydrophobicContact CD1-CB 3.57Å; L535-I562 HydrophobicContact CB-CD1 4.01Å; L535-I562 HydrophobicContact CD2-CD1 4.16Å; L535-I562 HydrophobicContact CD2-CG2 4.37Å; L535-M564 HydrophobicContact CD1-SD 3.66Å; L535-M564 HydrophobicContact CD2-CE 4.48Å; L535-M564 HydrophobicContact CD2-SD 4.06Å; L535-M564 HydrophobicContact CG-SD 4.43Å; L535-P574 HydrophobicContact CD2-CG 3.95Å; L535-W884 HydrophobicContact CD2-CB 4.29Å | ||
| 536 | Y | 89.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | trans | -134.8 | 161.1 | -170.8 | -53.8 | -76.5 | 0 | 0 | 0 | 112 | G514 R534 L540 A554 I556 P560 I562 | G514-Y536 CarbonylContact C-O 3.51Å; G514-Y536 WeakPolarHBondContact CA-O 3.45Å; G514-Y536 PolarHBondContact O-N 3.45Å; R534-Y536 PolarHBondContact NH1-O 3.04Å; R534-Y536 PolarHBondContact NH2-O 2.88Å; Y536-L540 HydrophobicContact CD2-CD1 3.84Å; Y536-L540 HydrophobicContact CE2-CD1 3.61Å; Y536-A554 HydrophobicContact CE2-CB 4.48Å; Y536-A554 PolarHBondContact OH-O 2.73Å; Y536-I556 HydrophobicContact CD1-CD1 3.58Å; Y536-I556 HydrophobicContact CD1-CG1 3.95Å; Y536-I556 HydrophobicContact CD1-CG2 4.19Å; Y536-I556 HydrophobicContact CD2-CG2 3.53Å; Y536-I556 HydrophobicContact CE1-CD1 4.11Å; Y536-I556 HydrophobicContact CE1-CG1 4.02Å; Y536-I556 HydrophobicContact CE2-CG2 3.91Å; Y536-I556 HydrophobicContact CG-CD1 3.96Å; Y536-I556 HydrophobicContact CG-CG1 4.29Å; Y536-I556 HydrophobicContact CG-CG2 3.68Å; Y536-P560 HydrophobicContact CE1-CG 4.14Å; Y536-P560 WeakPolarHBondContact CE1-O 3.33Å; Y536-P560 PolarHBondContact OH-O 2.78Å; Y536-I562 HydrophobicContact CD1-CD1 4.33Å; Y536-I562 HydrophobicContact CE1-CD1 3.53Å; Y536-I562 HydrophobicContact CE1-CG1 4.1Å; Y536-I562 HydrophobicContact CE2-CD1 4.08Å; Y536-I562 WeakPolarHBondContact OH-CB 3.44Å; Y536-I562 VanDerWaalsContact OH-CD1 3.32Å; Y536-I562 WeakPolarHBondContact OH-CD1 3.13Å; Y536-I562 WeakPolarHBondContact OH-CG1 3.13Å; Y536-I562 PolarHBondContact OH-N 2.83Å | ||
| 537 | R | 83.9 | Confident | 87.8 | Confident | 167 Ų | 167 | 46.8 Ų | 46.8 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -86.3 | -9.1 | 167.3 | -63 | -169.5 | -172.5 | -167.1 | 2.9 | 114.2 | S513 T883 E886 | S513-R537 CarbonylContact O-C 3.59Å; R537-T883 HydrophobicContact CG-CG2 3.83Å; R537-E886 IonicContact CZ-OE1 3.55Å; R537-E886 IonicContact NE-OE1 3.67Å; R537-E886 IonicContact NH2-OE1 2.73Å; R537-E886 PolarHBondContact NH2-OE1 3.14Å; R537-E886 IonicContact NH2-OE2 2.83Å |
| 538 | K | 87 | Confident | 87.4 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -111.7 | 159.1 | -176.3 | -68.9 | -176.8 | -178.1 | 176 | 0 | 110.8 | G514 L540 I556 | G514-K538 WeakPolarHBondContact CA-O 3.39Å; K538-L540 PolarHBondContact O-N 3.31Å; K538-I556 HydrophobicContact CB-CD1 4.16Å; K538-I556 HydrophobicContact CD-CD1 4.31Å |
| 539 | P | 86.4 | Confident | 87.3 | Confident | 45 Ų | 45 | 42.8 Ų | 42.8 | 29% | 0.292 | 21% | 0.214 | S | C | . | . | trans | -56.4 | 132 | -178.2 | -25.2 | 35.4 | 0 | 0 | 0 | 112.9 | N512 T541 I556 | N512-P539 VanDerWaalsContact O-CA 3.27Å; N512-P539 WeakPolarHBondContact O-CA 3.4Å; N512-P539 WeakPolarHBondContact O-CG 3.47Å; N512-P539 WeakPolarHBondContact OD1-CG 3.36Å; P539-T541 PolarHBondContact O-N 3.03Å; P539-I556 WeakPolarHBondContact O-CG2 3.27Å | ||
| 540 | L | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -76.3 | 105.6 | -179.3 | -172.6 | 55.2 | 0 | 0 | 0 | 111 | H496 C497 M511 I516 Y536 K538 I543 A554 V555 I556 | H496-L540 WeakPolarHBondContact CB-O 3.27Å; C497-L540 PolarHBondContact SG-O 3.43Å; C497-L540 VanDerWaalsContact SG-O 3.35Å; M511-L540 PolarHBondContact O-N 3.14Å; I516-L540 HydrophobicContact CB-CD2 4.01Å; I516-L540 HydrophobicContact CD1-CD2 4.3Å; I516-L540 HydrophobicContact CG1-CD2 4.2Å; Y536-L540 HydrophobicContact CD2-CD1 3.84Å; Y536-L540 HydrophobicContact CE2-CD1 3.61Å; K538-L540 PolarHBondContact O-N 3.31Å; L540-I543 HydrophobicContact CD2-CD1 3.62Å; L540-I543 HydrophobicContact CD2-CG1 3.82Å; L540-I543 HydrophobicContact CG-CD1 4.19Å; L540-I543 HydrophobicContact CG-CG1 4.06Å; L540-A554 HydrophobicContact CD1-CB 4.08Å; L540-A554 HydrophobicContact CD2-CB 4.34Å; L540-V555 WeakPolarHBondContact CD1-O 3.34Å; L540-I556 HydrophobicContact CD1-CG2 4Å | ||
| 541 | T | 87.9 | Confident | 87.4 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | trans | -81.6 | -42.2 | -168.5 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | P539 V555 I556 D557 | P539-T541 PolarHBondContact O-N 3.03Å; T541-V555 PolarHBondContact N-O 2.81Å; T541-V555 PolarHBondContact OG1-O 2.85Å; T541-I556 WeakPolarHBondContact OG1-CA 3.43Å; T541-D557 HydrophobicContact CG2-CB 4.22Å; T541-D557 PolarHBondContact OG1-N 2.86Å | ||
| 542 | H | 90.2 | Very high | 87.6 | Confident | 42 Ų | 42 | 37 Ų | 37 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 144.6 | -177.5 | -61.6 | -88.9 | 0 | 0 | 0 | 110.8 | V555 V584 L587 | H542-V555 HydrophobicContact CB-CB 4.42Å; H542-V555 PolarHBondContact N-O 3.25Å; H542-V555 PolarHBondContact O-N 2.84Å; H542-V584 PolarHBondContact NE2-O 3.46Å; H542-L587 HydrophobicContact CB-CB 3.91Å; H542-L587 HydrophobicContact CB-CD2 4Å |
| 543 | I | 93.4 | Very high | 87.8 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.6 | 174 | -64.4 | 168.4 | 0 | 0 | 0 | 106.3 | C497 V499 V508 I516 L540 L552 T553 A554 | C497-I543 VanDerWaalsContact SG-CD1 3.52Å; C497-I543 VanDerWaalsContact SG-CG1 3.6Å; V499-I543 HydrophobicContact CB-CG2 4.29Å; V499-I543 HydrophobicContact CG2-CB 3.77Å; V499-I543 HydrophobicContact CG2-CG2 3.87Å; V499-I543 VanDerWaalsContact CG2-O 3.26Å; V499-I543 WeakPolarHBondContact CG2-O 3.37Å; V508-I543 HydrophobicContact CG1-CD1 4.23Å; I516-I543 HydrophobicContact CD1-CD1 3.94Å; I516-I543 HydrophobicContact CD1-CG1 4.41Å; I516-I543 HydrophobicContact CG1-CD1 4.07Å; L540-I543 HydrophobicContact CD2-CD1 3.62Å; L540-I543 HydrophobicContact CD2-CG1 3.82Å; L540-I543 HydrophobicContact CG-CD1 4.19Å; L540-I543 HydrophobicContact CG-CG1 4.06Å; I543-L552 HydrophobicContact CG2-CD1 3.22Å; I543-L552 HydrophobicContact CG2-CD2 4.14Å; I543-L552 HydrophobicContact CG2-CG 3.92Å; I543-T553 CarbonylContact C-O 3.57Å; I543-T553 VanDerWaalsContact CA-O 3.31Å; I543-T553 WeakPolarHBondContact CA-O 3.3Å; I543-A554 HydrophobicContact CG1-CB 4.5Å |
| 544 | A | 90.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 135 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L552 T553 L587 M589 | A544-L552 VanDerWaalsContact C-CD1 3.49Å; A544-L552 CarbonylContact O-C 3.59Å; A544-L552 WeakPolarHBondContact O-CA 3.48Å; A544-L552 VanDerWaalsContact O-CD1 3.23Å; A544-L552 WeakPolarHBondContact O-CD1 3.4Å; A544-T553 PolarHBondContact N-O 3.27Å; A544-T553 PolarHBondContact O-N 3.14Å; A544-L587 HydrophobicContact CB-CD2 3.73Å; A544-L587 HydrophobicContact CB-CG 3.68Å; A544-M589 HydrophobicContact CB-CG 4.05Å; A544-M589 HydrophobicContact CB-SD 4.4Å |
| 545 | F | 90.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 152.6 | 167.6 | -78 | -83 | 0 | 0 | 0 | 110.3 | V499 I500 V508 F551 L552 A566 | V499-F545 HydrophobicContact CB-CD2 4.14Å; V499-F545 HydrophobicContact CB-CE2 4.25Å; V499-F545 HydrophobicContact CG1-CD2 3.65Å; V499-F545 HydrophobicContact CG1-CE2 4.23Å; I500-F545 VanDerWaalsContact C-CE2 3.49Å; I500-F545 VanDerWaalsContact O-CD2 3.28Å; I500-F545 WeakPolarHBondContact O-CD2 3.27Å; V508-F545 HydrophobicContact CB-CE2 4.21Å; V508-F545 HydrophobicContact CB-CZ 4.25Å; V508-F545 HydrophobicContact CG2-CE2 3.86Å; V508-F545 HydrophobicContact CG2-CZ 3.44Å; V508-F545 VanDerWaalsContact CG2-CZ 3.44Å; F545-F551 WeakPolarHBondContact CA-O 3.39Å; F545-L552 HydrophobicContact CB-CD1 4.42Å; F545-L552 HydrophobicContact CD1-CB 4.12Å; F545-L552 HydrophobicContact CD1-CD1 3.73Å; F545-L552 HydrophobicContact CD1-CG 4.48Å; F545-L552 HydrophobicContact CD2-CD1 3.66Å; F545-L552 HydrophobicContact CE1-CB 4.14Å; F545-L552 HydrophobicContact CE1-CD1 3.81Å; F545-L552 HydrophobicContact CE1-CD2 4.45Å; F545-L552 HydrophobicContact CE1-CG 4.36Å; F545-L552 HydrophobicContact CE2-CD1 3.75Å; F545-L552 HydrophobicContact CG-CD1 3.66Å; F545-L552 HydrophobicContact CZ-CD1 3.84Å; F545-L552 HydrophobicContact CZ-CD2 4.42Å; F545-A566 HydrophobicContact CD1-CB 3.68Å; F545-A566 HydrophobicContact CE1-CB 3.46Å; F545-A566 VanDerWaalsContact CE1-CB 3.46Å |
| 546 | D | 85.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | -69.3 | 157.9 | 159.8 | 76.8 | -29.3 | 0 | 0 | 0 | 110.8 | P502 D548 G549 E550 F551 M589 R591 I598 | P502-D546 WeakPolarHBondContact CG-O 3.37Å; D546-D548 PolarHBondContact O-N 2.79Å; D546-D548 VanDerWaalsContact O-N 3.13Å; D546-G549 PolarHBondContact O-N 3.27Å; D546-G549 VanDerWaalsContact OD1-C 3.27Å; D546-G549 WeakPolarHBondContact OD1-CA 3.14Å; D546-G549 PolarHBondContact OD1-N 3.27Å; D546-E550 PolarHBondContact OD1-N 3.44Å; D546-F551 HydrophobicContact CB-CB 4.46Å; D546-F551 PolarHBondContact N-O 3.03Å; D546-F551 PolarHBondContact OD1-N 3.36Å; D546-F551 VanDerWaalsContact OD1-O 3.07Å; D546-M589 HydrophobicContact CB-CB 4.47Å; D546-M589 HydrophobicContact CB-CE 3.94Å; D546-R591 IonicContact OD2-CZ 2.98Å; D546-R591 IonicContact OD2-NE 3.64Å; D546-R591 IonicContact OD2-NH2 2.68Å; D546-R591 PolarHBondContact OD2-NH2 2.81Å; D546-I598 HydrophobicContact CB-CD1 4.42Å; D546-I598 HydrophobicContact CB-CG2 4.13Å | ||
| 547 | P | 78.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 37% | 0.37 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.1 | -177 | -28.3 | 36.5 | 0 | 0 | 0 | 115.1 | P502 R591 | P502-P547 VanDerWaalsContact CG-O 3.28Å; P502-P547 WeakPolarHBondContact CG-O 3.38Å; P547-R591 HydrophobicContact CG-CB 4.14Å |
| 548 | D | 78.7 | Confident | 88 | Confident | 73 Ų | 73 | 30 Ų | 30 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.4 | -179.9 | -67.6 | -6 | 0 | 0 | 0 | 112.6 | V503 D546 E550 R591 | V503-D548 WeakPolarHBondContact CG2-O 3.47Å; D546-D548 PolarHBondContact O-N 2.79Å; D546-D548 VanDerWaalsContact O-N 3.13Å; D548-E550 HydrophobicContact CB-CG 4.29Å; D548-E550 PolarHBondContact O-N 3.18Å; D548-R591 WeakPolarHBondContact OD2-CD 3.41Å; D548-R591 IonicContact OD2-CZ 3.14Å; D548-R591 VanDerWaalsContact OD2-CZ 3.32Å; D548-R591 IonicContact OD2-NE 3.83Å; D548-R591 PolarHBondContact OD2-NE 2.85Å; D548-R591 IonicContact OD2-NH1 2.86Å; D548-R591 PolarHBondContact OD2-NH1 3.19Å |
| 549 | G | 84 | Confident | 87.8 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 63.5 | 21.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D546 A566 | D546-G549 PolarHBondContact O-N 3.27Å; D546-G549 VanDerWaalsContact OD1-C 3.27Å; D546-G549 WeakPolarHBondContact OD1-CA 3.14Å; D546-G549 PolarHBondContact OD1-N 3.27Å; G549-A566 WeakPolarHBondContact O-CB 3.44Å |
| 550 | E | 85.9 | Confident | 87.9 | Confident | 72 Ų | 72 | 24.2 Ų | 24.2 | 34% | 0.336 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -85.4 | -31.6 | 175.9 | -67.7 | -177.1 | 167.1 | 0 | 0 | 112 | D546 D548 A566 R591 | D546-E550 PolarHBondContact OD1-N 3.44Å; D548-E550 HydrophobicContact CB-CG 4.29Å; D548-E550 PolarHBondContact O-N 3.18Å; E550-A566 PolarHBondContact O-N 2.89Å; E550-R591 IonicContact OE1-NH1 3.25Å; E550-R591 IonicContact OE2-CZ 2.85Å; E550-R591 VanDerWaalsContact OE2-CZ 3.24Å; E550-R591 IonicContact OE2-NH1 3.8Å; E550-R591 PolarHBondContact OE2-NH1 3.19Å; E550-R591 IonicContact OE2-NH2 2.76Å; E550-R591 PolarHBondContact OE2-NH2 2.75Å |
| 551 | F | 89.9 | Confident | 88 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.7 | -178.6 | -59.3 | -79.5 | 0 | 0 | 0 | 112.4 | F545 D546 L563 M564 I575 M589 I598 I624 | F545-F551 WeakPolarHBondContact CA-O 3.39Å; D546-F551 HydrophobicContact CB-CB 4.46Å; D546-F551 PolarHBondContact N-O 3.03Å; D546-F551 PolarHBondContact OD1-N 3.36Å; D546-F551 VanDerWaalsContact OD1-O 3.07Å; F551-L563 HydrophobicContact CB-CD1 4.1Å; F551-M564 CarbonylContact C-O 3.54Å; F551-M564 WeakPolarHBondContact CA-O 3.33Å; F551-I575 HydrophobicContact CD1-CD1 3.56Å; F551-I575 HydrophobicContact CE1-CD1 3.46Å; F551-I575 VanDerWaalsContact CE1-CD1 3.46Å; F551-M589 HydrophobicContact CB-CE 4.17Å; F551-I598 HydrophobicContact CD2-CD1 3.32Å; F551-I598 HydrophobicContact CE2-CD1 3.75Å; F551-I598 HydrophobicContact CG-CD1 4.25Å; F551-I624 HydrophobicContact CE1-CG2 3.54Å; F551-I624 HydrophobicContact CE2-CG2 4.28Å; F551-I624 HydrophobicContact CZ-CG2 3.4Å |
| 552 | L | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.2 | 179.8 | 179.6 | 72.3 | 0 | 0 | 0 | 109.2 | V508 I516 F518 I543 A544 F545 M564 A566 | V508-L552 HydrophobicContact CG1-CD2 4.05Å; I516-L552 HydrophobicContact CD1-CD2 3.65Å; F518-L552 HydrophobicContact CE1-CD2 4.1Å; F518-L552 HydrophobicContact CZ-CD2 4.11Å; I543-L552 HydrophobicContact CG2-CD1 3.22Å; I543-L552 HydrophobicContact CG2-CD2 4.14Å; I543-L552 HydrophobicContact CG2-CG 3.92Å; A544-L552 VanDerWaalsContact C-CD1 3.49Å; A544-L552 CarbonylContact O-C 3.59Å; A544-L552 WeakPolarHBondContact O-CA 3.48Å; A544-L552 VanDerWaalsContact O-CD1 3.23Å; A544-L552 WeakPolarHBondContact O-CD1 3.4Å; F545-L552 HydrophobicContact CB-CD1 4.42Å; F545-L552 HydrophobicContact CD1-CB 4.12Å; F545-L552 HydrophobicContact CD1-CD1 3.73Å; F545-L552 HydrophobicContact CD1-CG 4.48Å; F545-L552 HydrophobicContact CD2-CD1 3.66Å; F545-L552 HydrophobicContact CE1-CB 4.14Å; F545-L552 HydrophobicContact CE1-CD1 3.81Å; F545-L552 HydrophobicContact CE1-CD2 4.45Å; F545-L552 HydrophobicContact CE1-CG 4.36Å; F545-L552 HydrophobicContact CE2-CD1 3.75Å; F545-L552 HydrophobicContact CG-CD1 3.66Å; F545-L552 HydrophobicContact CZ-CD1 3.84Å; F545-L552 HydrophobicContact CZ-CD2 4.42Å; L552-M564 HydrophobicContact CB-CB 4.36Å; L552-M564 HydrophobicContact CD2-SD 4.48Å; L552-M564 PolarHBondContact N-O 2.96Å; L552-M564 WeakPolarHBondContact O-CA 3.23Å; L552-M564 PolarHBondContact O-N 2.8Å; L552-A566 HydrophobicContact CB-CB 4.27Å |
| 553 | T | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.8 | 172.4 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | I543 A544 V555 I562 L587 M589 V600 Y618 | I543-T553 CarbonylContact C-O 3.57Å; I543-T553 VanDerWaalsContact CA-O 3.31Å; I543-T553 WeakPolarHBondContact CA-O 3.3Å; A544-T553 PolarHBondContact N-O 3.27Å; A544-T553 PolarHBondContact O-N 3.14Å; T553-V555 HydrophobicContact CG2-CG2 4.06Å; T553-I562 WeakPolarHBondContact CA-O 2.74Å; T553-L587 HydrophobicContact CG2-CD1 4.25Å; T553-M589 WeakPolarHBondContact OG1-CE 3.36Å; T553-M589 PolarHBondContact OG1-SD 3.29Å; T553-V600 HydrophobicContact CG2-CG1 4.34Å; T553-Y618 WeakPolarHBondContact CG2-OH 2.99Å |
| 554 | A | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I516 L535 Y536 L540 I543 I562 M564 | I516-A554 HydrophobicContact CD1-CB 4.28Å; L535-A554 HydrophobicContact CD1-CB 3.57Å; Y536-A554 HydrophobicContact CE2-CB 4.48Å; Y536-A554 PolarHBondContact OH-O 2.73Å; L540-A554 HydrophobicContact CD1-CB 4.08Å; L540-A554 HydrophobicContact CD2-CB 4.34Å; I543-A554 HydrophobicContact CG1-CB 4.5Å; A554-I562 PolarHBondContact N-O 2.72Å; A554-I562 PolarHBondContact O-N 3.24Å; A554-M564 HydrophobicContact CB-SD 4.47Å |
| 555 | V | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.6 | -164 | 161.2 | 0 | 0 | 0 | 0 | 112.9 | L540 T541 H542 T553 F580 V584 L587 L602 | L540-V555 WeakPolarHBondContact CD1-O 3.34Å; T541-V555 PolarHBondContact N-O 2.81Å; T541-V555 PolarHBondContact OG1-O 2.85Å; H542-V555 HydrophobicContact CB-CB 4.42Å; H542-V555 PolarHBondContact N-O 3.25Å; H542-V555 PolarHBondContact O-N 2.84Å; T553-V555 HydrophobicContact CG2-CG2 4.06Å; V555-F580 HydrophobicContact CG1-CE1 4.5Å; V555-F580 HydrophobicContact CG1-CZ 3.74Å; V555-F580 HydrophobicContact CG2-CE1 4.47Å; V555-F580 HydrophobicContact CG2-CZ 4.46Å; V555-V584 HydrophobicContact CG1-CB 4.01Å; V555-V584 HydrophobicContact CG1-CG1 3.9Å; V555-V584 HydrophobicContact CG1-CG2 3.56Å; V555-L587 HydrophobicContact CB-CD2 4.27Å; V555-L587 HydrophobicContact CG2-CD1 4.35Å; V555-L587 HydrophobicContact CG2-CD2 4.05Å; V555-L602 HydrophobicContact CB-CD2 4.48Å; V555-L602 HydrophobicContact CG1-CD2 4.08Å; V555-L602 HydrophobicContact CG2-CD2 3.7Å |
| 556 | I | 90.7 | Very high | 88 | Confident | 11 Ų | 11 | 19.3 Ų | 19.3 | 6% | 0.056 | 11% | 0.108 | C | C | . | . | trans | -114.9 | 153.8 | 172.2 | 59.2 | 166.8 | 0 | 0 | 0 | 112.1 | Y536 K538 P539 L540 T541 N558 | Y536-I556 HydrophobicContact CD1-CD1 3.58Å; Y536-I556 HydrophobicContact CD1-CG1 3.95Å; Y536-I556 HydrophobicContact CD1-CG2 4.19Å; Y536-I556 HydrophobicContact CD2-CG2 3.53Å; Y536-I556 HydrophobicContact CE1-CD1 4.11Å; Y536-I556 HydrophobicContact CE1-CG1 4.02Å; Y536-I556 HydrophobicContact CE2-CG2 3.91Å; Y536-I556 HydrophobicContact CG-CD1 3.96Å; Y536-I556 HydrophobicContact CG-CG1 4.29Å; Y536-I556 HydrophobicContact CG-CG2 3.68Å; K538-I556 HydrophobicContact CB-CD1 4.16Å; K538-I556 HydrophobicContact CD-CD1 4.31Å; P539-I556 WeakPolarHBondContact O-CG2 3.27Å; L540-I556 HydrophobicContact CD1-CG2 4Å; T541-I556 WeakPolarHBondContact OG1-CA 3.43Å; I556-N558 PolarHBondContact O-N 3.25Å | ||
| 557 | D | 85.3 | Confident | 88 | Confident | 50 Ų | 50 | 22.2 Ų | 22.2 | 27% | 0.267 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 131.2 | 167.7 | -74.3 | -23.4 | 0 | 0 | 0 | 110.2 | T541 G559 R583 V584 | T541-D557 HydrophobicContact CG2-CB 4.22Å; T541-D557 PolarHBondContact OG1-N 2.86Å; D557-G559 VanDerWaalsContact C-N 3.34Å; D557-G559 PolarHBondContact O-N 3.23Å; D557-R583 WeakPolarHBondContact OD1-CG 3.41Å; D557-V584 PolarHBondContact OD1-N 2.82Å |
| 558 | N | 82.1 | Confident | 88.2 | Confident | 97 Ų | 97 | 22.7 Ų | 22.7 | 52% | 0.519 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 43 | -178.9 | -58.7 | -37.1 | 0 | 0 | 0 | 114.1 | I556 G582 | I556-N558 PolarHBondContact O-N 3.25Å; N558-G582 PolarHBondContact N-O 3.44Å; N558-G582 WeakPolarHBondContact OD1-CA 3.39Å; N558-G582 PolarHBondContact OD1-N 3.39Å; N558-G582 VanDerWaalsContact OD1-N 3.12Å; N558-G582 PolarHBondContact OD1-O 2.73Å |
| 559 | G | 83.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 25.3 Ų | 25.3 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -153.9 | -178.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D557 F580 | D557-G559 VanDerWaalsContact C-N 3.34Å; D557-G559 PolarHBondContact O-N 3.23Å; G559-F580 VanDerWaalsContact O-CE1 3.31Å; G559-F580 WeakPolarHBondContact O-CE1 3.36Å; G559-F580 VanDerWaalsContact O-CE2 3.26Å; G559-F580 WeakPolarHBondContact O-CE2 3.33Å; G559-F580 WeakPolarHBondContact O-CZ 3.08Å |
| 560 | P | 88.8 | Confident | 88 | Confident | 26 Ų | 26 | 27.3 Ų | 27.3 | 17% | 0.169 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 157.2 | -175.8 | 28.6 | -30.3 | 0 | 0 | 0 | 112.4 | Y536 Y577 V578 I885 | Y536-P560 HydrophobicContact CE1-CG 4.14Å; Y536-P560 WeakPolarHBondContact CE1-O 3.33Å; Y536-P560 PolarHBondContact OH-O 2.78Å; P560-Y577 HydrophobicContact CB-CD2 3.84Å; P560-Y577 HydrophobicContact CB-CG 4.49Å; P560-Y577 HydrophobicContact CG-CD2 4.43Å; P560-V578 CarbonylContact C-O 3.56Å; P560-V578 VanDerWaalsContact CA-O 3.25Å; P560-V578 WeakPolarHBondContact CA-O 3.46Å; P560-V578 WeakPolarHBondContact CB-O 3.41Å; P560-I885 HydrophobicContact CG-CD1 3.85Å |
| 561 | S | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.7 | 165.4 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | Y577 V578 F580 | S561-Y577 CarbonylContact O-C 3.54Å; S561-Y577 WeakPolarHBondContact O-CA 3.45Å; S561-Y577 WeakPolarHBondContact O-CB 2.9Å; S561-V578 PolarHBondContact N-O 3.06Å; S561-V578 PolarHBondContact O-N 2.67Å; S561-V578 WeakPolarHBondContact OG-CB 3.19Å; S561-V578 PolarHBondContact OG-O 3.15Å; S561-F580 VanDerWaalsContact N-CE1 3.3Å |
| 562 | I | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.9 | 174.9 | -65.8 | 167.1 | 0 | 0 | 0 | 108.6 | L535 Y536 T553 A554 M564 P574 W884 I885 | L535-I562 HydrophobicContact CB-CD1 4.01Å; L535-I562 HydrophobicContact CD2-CD1 4.16Å; L535-I562 HydrophobicContact CD2-CG2 4.37Å; Y536-I562 HydrophobicContact CD1-CD1 4.33Å; Y536-I562 HydrophobicContact CE1-CD1 3.53Å; Y536-I562 HydrophobicContact CE1-CG1 4.1Å; Y536-I562 HydrophobicContact CE2-CD1 4.08Å; Y536-I562 WeakPolarHBondContact OH-CB 3.44Å; Y536-I562 VanDerWaalsContact OH-CD1 3.32Å; Y536-I562 WeakPolarHBondContact OH-CD1 3.13Å; Y536-I562 WeakPolarHBondContact OH-CG1 3.13Å; Y536-I562 PolarHBondContact OH-N 2.83Å; T553-I562 WeakPolarHBondContact CA-O 2.74Å; A554-I562 PolarHBondContact N-O 2.72Å; A554-I562 PolarHBondContact O-N 3.24Å; I562-M564 HydrophobicContact CG2-CG 3.97Å; I562-P574 HydrophobicContact CG2-CB 3.77Å; I562-W884 HydrophobicContact CD1-CE3 4.11Å; I562-W884 HydrophobicContact CG1-CE3 4.45Å; I562-W884 HydrophobicContact CG1-CZ3 4.36Å; I562-W884 HydrophobicContact CG2-CE3 4.15Å; I562-W884 HydrophobicContact CG2-CZ3 3.98Å; I562-I885 HydrophobicContact CD1-CD1 4.11Å; I562-I885 HydrophobicContact CD1-CG1 4.24Å; I562-I885 HydrophobicContact CG1-CD1 4.5Å |
| 563 | L | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.3 | 169.7 | 179 | 64.9 | 0 | 0 | 0 | 109.3 | F551 I575 G576 M589 I620 L639 | F551-L563 HydrophobicContact CB-CD1 4.1Å; L563-I575 HydrophobicContact CG-CD1 4.43Å; L563-I575 PolarHBondContact O-N 2.76Å; L563-G576 PolarHBondContact N-O 3.15Å; L563-G576 PolarHBondContact O-N 3.12Å; L563-M589 HydrophobicContact CD1-CE 4.26Å; L563-I620 HydrophobicContact CD1-CD1 3.51Å; L563-I620 HydrophobicContact CD2-CD1 3.64Å; L563-I620 HydrophobicContact CD2-CG1 4.03Å; L563-I620 HydrophobicContact CD2-CG2 3.97Å; L563-I620 HydrophobicContact CG-CD1 4.18Å; L563-L639 HydrophobicContact CB-CD1 4.2Å; L563-L639 HydrophobicContact CD2-CD1 4.18Å |
| 564 | M | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.2 | -178.1 | -55 | 178.7 | 58.1 | 0 | 0 | 111.2 | I516 F518 I533 L535 F551 L552 A554 I562 F572 P574 | I516-M564 HydrophobicContact CD1-SD 4.13Å; I516-M564 HydrophobicContact CG2-CE 4.21Å; I516-M564 HydrophobicContact CG2-SD 4.44Å; F518-M564 HydrophobicContact CE2-CE 4.06Å; F518-M564 HydrophobicContact CZ-CE 3.77Å; I533-M564 HydrophobicContact CD1-CE 3.95Å; L535-M564 HydrophobicContact CD1-SD 3.66Å; L535-M564 HydrophobicContact CD2-CE 4.48Å; L535-M564 HydrophobicContact CD2-SD 4.06Å; L535-M564 HydrophobicContact CG-SD 4.43Å; F551-M564 CarbonylContact C-O 3.54Å; F551-M564 WeakPolarHBondContact CA-O 3.33Å; L552-M564 HydrophobicContact CB-CB 4.36Å; L552-M564 HydrophobicContact CD2-SD 4.48Å; L552-M564 PolarHBondContact N-O 2.96Å; L552-M564 WeakPolarHBondContact O-CA 3.23Å; L552-M564 PolarHBondContact O-N 2.8Å; A554-M564 HydrophobicContact CB-SD 4.47Å; I562-M564 HydrophobicContact CG2-CG 3.97Å; M564-F572 WeakPolarHBondContact CE-O 3.24Å; M564-P574 HydrophobicContact CE-CG 4.07Å; M564-P574 HydrophobicContact CG-CB 3.83Å; M564-P574 HydrophobicContact CG-CG 4.29Å |
| 565 | S | 89.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.2 | 162.5 | 170.7 | 0 | 0 | 0 | 0 | 109.1 | L567 F572 E573 | S565-L567 VanDerWaalsContact C-N 3.34Å; S565-L567 PolarHBondContact OG-N 3.5Å; S565-F572 CarbonylContact O-C 3.56Å; S565-F572 VanDerWaalsContact O-CA 3.23Å; S565-F572 WeakPolarHBondContact O-CA 3.41Å; S565-E573 PolarHBondContact N-O 3.29Å |
| 566 | A | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -88.2 | -4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F545 G549 E550 L552 F572 | F545-A566 HydrophobicContact CD1-CB 3.68Å; F545-A566 HydrophobicContact CE1-CB 3.46Å; F545-A566 VanDerWaalsContact CE1-CB 3.46Å; G549-A566 WeakPolarHBondContact O-CB 3.44Å; E550-A566 PolarHBondContact O-N 2.89Å; L552-A566 HydrophobicContact CB-CB 4.27Å; A566-F572 WeakPolarHBondContact O-CD1 3.36Å; A566-F572 VanDerWaalsContact O-CE1 3.29Å; A566-F572 WeakPolarHBondContact O-CE1 3.29Å | ||
| 567 | L | 85.9 | Confident | 87 | Confident | 61 Ų | 61 | 32.2 Ų | 32.2 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | trans | -80.6 | 129.7 | -177 | -61.6 | 173 | 0 | 0 | 0 | 112.3 | S565 T569 K570 F572 | S565-L567 VanDerWaalsContact C-N 3.34Å; S565-L567 PolarHBondContact OG-N 3.5Å; L567-T569 PolarHBondContact O-N 3.47Å; L567-K570 PolarHBondContact O-N 3.44Å; L567-K570 VanDerWaalsContact O-N 3.16Å; L567-F572 PolarHBondContact O-N 2.82Å | ||
| 568 | P | 81.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 30 Ų | 30 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -61.3 | -28.7 | 173.4 | -21.5 | 30 | 0 | 0 | 0 | 113.3 | L504 K570 S571 F572 | L504-P568 HydrophobicContact CD1-CG 3.46Å; L504-P568 VanDerWaalsContact CD1-CG 3.46Å; P568-K570 PolarHBondContact O-N 3.37Å; P568-S571 PolarHBondContact O-N 3.18Å; P568-F572 HydrophobicContact CB-CE1 4.19Å; P568-F572 HydrophobicContact CB-CZ 3.86Å; P568-F572 HydrophobicContact CG-CE1 3.83Å; P568-F572 HydrophobicContact CG-CZ 3.78Å |
| 569 | T | 79.9 | Confident | 87.4 | Confident | 129 Ų | 129 | 28.3 Ų | 28.3 | 79% | 0.791 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -62.2 | -31.3 | 177 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | L567 S571 | L567-T569 PolarHBondContact O-N 3.47Å; T569-S571 VanDerWaalsContact C-N 3.35Å |
| 570 | K | 80 | Confident | 87.3 | Confident | 43 Ų | 43 | 28.5 Ų | 28.5 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -95.3 | 18.3 | 172.9 | -67.7 | -166.7 | 172.6 | -170.7 | 0 | 112.5 | L567 P568 F572 E573 G625 E629 | L567-K570 PolarHBondContact O-N 3.44Å; L567-K570 VanDerWaalsContact O-N 3.16Å; P568-K570 PolarHBondContact O-N 3.37Å; K570-F572 PolarHBondContact O-N 2.98Å; K570-E573 VanDerWaalsContact O-CB 3.31Å; K570-E573 WeakPolarHBondContact O-CB 3.25Å; K570-E573 PolarHBondContact O-N 3.17Å; K570-G625 PolarHBondContact NZ-O 3.23Å; K570-E629 IonicContact NZ-OE1 3.62Å; K570-E629 PolarHBondContact NZ-OE1 3.14Å |
| 571 | S | 83.2 | Confident | 86.9 | Confident | 72 Ų | 72 | 33.2 Ų | 33.2 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 26.4 | -179.2 | 54.4 | 0 | 0 | 0 | 0 | 115.3 | N531 P568 T569 E573 | N531-S571 PolarHBondContact ND2-O 3.25Å; P568-S571 PolarHBondContact O-N 3.18Å; T569-S571 VanDerWaalsContact C-N 3.35Å; S571-E573 VanDerWaalsContact C-N 3.27Å; S571-E573 PolarHBondContact O-N 3.44Å |
| 572 | F | 89.3 | Confident | 86.4 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 34.2 | -173.3 | -41.4 | -72.2 | 0 | 0 | 0 | 114.4 | L506 F518 V530 N531 I533 M564 S565 A566 L567 P568 K570 | L506-F572 HydrophobicContact CD1-CZ 4.21Å; L506-F572 HydrophobicContact CD2-CD1 4.33Å; L506-F572 HydrophobicContact CD2-CE1 3.36Å; L506-F572 HydrophobicContact CD2-CZ 3.56Å; F518-F572 HydrophobicContact CB-CD2 4.3Å; F518-F572 HydrophobicContact CB-CE2 4.12Å; F518-F572 HydrophobicContact CD1-CB 4.32Å; F518-F572 AromaticContact CD1-CD1 3.75Å; F518-F572 HydrophobicContact CD1-CD1 3.75Å; F518-F572 AromaticContact CD1-CD2 3.94Å; F518-F572 HydrophobicContact CD1-CD2 3.94Å; F518-F572 AromaticContact CD1-CE1 3.99Å; F518-F572 HydrophobicContact CD1-CE1 3.99Å; F518-F572 HydrophobicContact CD1-CE2 4.16Å; F518-F572 AromaticContact CD1-CG 3.72Å; F518-F572 HydrophobicContact CD1-CG 3.72Å; F518-F572 HydrophobicContact CD1-CZ 4.18Å; F518-F572 HydrophobicContact CD2-CB 4.27Å; F518-F572 HydrophobicContact CD2-CD2 4.01Å; F518-F572 HydrophobicContact CD2-CG 4.17Å; F518-F572 HydrophobicContact CE1-CB 3.79Å; F518-F572 AromaticContact CE1-CD1 3.61Å; F518-F572 HydrophobicContact CE1-CD1 3.61Å; F518-F572 HydrophobicContact CE1-CD2 4.27Å; F518-F572 HydrophobicContact CE1-CE1 4.26Å; F518-F572 AromaticContact CE1-CG 3.61Å; F518-F572 HydrophobicContact CE1-CG 3.61Å; F518-F572 HydrophobicContact CE2-CB 3.71Å; F518-F572 HydrophobicContact CE2-CD2 4.32Å; F518-F572 HydrophobicContact CE2-CG 4.06Å; F518-F572 HydrophobicContact CG-CD1 4.45Å; F518-F572 AromaticContact CG-CD2 3.81Å; F518-F572 HydrophobicContact CG-CD2 3.81Å; F518-F572 HydrophobicContact CG-CE2 4.07Å; F518-F572 HydrophobicContact CG-CG 4.01Å; F518-F572 HydrophobicContact CG-CZ 4.49Å; F518-F572 HydrophobicContact CZ-CB 3.46Å; F518-F572 VanDerWaalsContact CZ-CB 3.46Å; F518-F572 HydrophobicContact CZ-CD1 4.21Å; F518-F572 HydrophobicContact CZ-CD2 4.46Å; F518-F572 AromaticContact CZ-CG 3.8Å; F518-F572 HydrophobicContact CZ-CG 3.8Å; V530-F572 HydrophobicContact CG1-CE2 3.96Å; N531-F572 HydrophobicContact CB-CD2 4.22Å; I533-F572 HydrophobicContact CD1-CB 4.29Å; I533-F572 WeakPolarHBondContact CD1-O 3.3Å; M564-F572 WeakPolarHBondContact CE-O 3.24Å; S565-F572 CarbonylContact O-C 3.56Å; S565-F572 VanDerWaalsContact O-CA 3.23Å; S565-F572 WeakPolarHBondContact O-CA 3.41Å; A566-F572 WeakPolarHBondContact O-CD1 3.36Å; A566-F572 VanDerWaalsContact O-CE1 3.29Å; A566-F572 WeakPolarHBondContact O-CE1 3.29Å; L567-F572 PolarHBondContact O-N 2.82Å; P568-F572 HydrophobicContact CB-CE1 4.19Å; P568-F572 HydrophobicContact CB-CZ 3.86Å; P568-F572 HydrophobicContact CG-CE1 3.83Å; P568-F572 HydrophobicContact CG-CZ 3.78Å; K570-F572 PolarHBondContact O-N 2.98Å |
| 573 | E | 85.2 | Confident | 86 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | trans | -59.5 | 132.6 | -176.2 | -170.6 | 179.6 | 167.2 | 0 | 0 | 111.8 | S565 K570 S571 R637 | S565-E573 PolarHBondContact N-O 3.29Å; K570-E573 VanDerWaalsContact O-CB 3.31Å; K570-E573 WeakPolarHBondContact O-CB 3.25Å; K570-E573 PolarHBondContact O-N 3.17Å; S571-E573 VanDerWaalsContact C-N 3.27Å; S571-E573 PolarHBondContact O-N 3.44Å; E573-R637 IonicContact OE1-CZ 3.55Å; E573-R637 VanDerWaalsContact OE1-CZ 3.29Å; E573-R637 IonicContact OE1-NH1 2.65Å; E573-R637 PolarHBondContact OE1-NH1 2.83Å; E573-R637 IonicContact OE1-NH2 3.16Å; E573-R637 PolarHBondContact OE1-NH2 2.87Å | ||
| 574 | P | 90 | Very high | 85.6 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.4 | 170.1 | -8.1 | 23.1 | 0 | 0 | 0 | 111.4 | I533 L535 I562 M564 R637 W884 | I533-P574 HydrophobicContact CG2-CG 4.44Å; L535-P574 HydrophobicContact CD2-CG 3.95Å; I562-P574 HydrophobicContact CG2-CB 3.77Å; M564-P574 HydrophobicContact CE-CG 4.07Å; M564-P574 HydrophobicContact CG-CB 3.83Å; M564-P574 HydrophobicContact CG-CG 4.29Å; P574-R637 PolarHBondContact O-NH1 2.95Å; P574-W884 HydrophobicContact CB-CD2 3.59Å; P574-W884 HydrophobicContact CB-CE3 3.99Å; P574-W884 HydrophobicContact CB-CG 4.09Å; P574-W884 HydrophobicContact CB-CH2 4.01Å; P574-W884 HydrophobicContact CB-CZ2 3.61Å; P574-W884 HydrophobicContact CB-CZ3 4.18Å; P574-W884 HydrophobicContact CG-CB 4.5Å; P574-W884 HydrophobicContact CG-CD2 3.77Å; P574-W884 HydrophobicContact CG-CG 3.69Å; P574-W884 HydrophobicContact CG-CZ2 4.42Å; P574-W884 WeakPolarHBondContact O-CZ2 3.45Å |
| 575 | I | 87.9 | Confident | 85 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -51.4 | -171.4 | -60.8 | 170 | 0 | 0 | 0 | 110.3 | F551 L563 I624 E629 V633 | F551-I575 HydrophobicContact CD1-CD1 3.56Å; F551-I575 HydrophobicContact CE1-CD1 3.46Å; F551-I575 VanDerWaalsContact CE1-CD1 3.46Å; L563-I575 HydrophobicContact CG-CD1 4.43Å; L563-I575 PolarHBondContact O-N 2.76Å; I575-I624 HydrophobicContact CG2-CD1 4.2Å; I575-I624 HydrophobicContact CG2-CG1 4.35Å; I575-E629 HydrophobicContact CG2-CG 4.49Å; I575-V633 HydrophobicContact CG2-CG2 4.44Å |
| 576 | G | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L563 R637 | L563-G576 PolarHBondContact N-O 3.15Å; L563-G576 PolarHBondContact O-N 3.12Å; G576-R637 CarbonylContact C-O 3.59Å; G576-R637 WeakPolarHBondContact CA-O 3.39Å |
| 577 | Y | 91.3 | Very high | 84.5 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.4 | 179.9 | 73.2 | -87.2 | 0 | 0 | 0 | 114.1 | P560 S561 R637 K638 L639 W884 I885 | P560-Y577 HydrophobicContact CB-CD2 3.84Å; P560-Y577 HydrophobicContact CB-CG 4.49Å; P560-Y577 HydrophobicContact CG-CD2 4.43Å; S561-Y577 CarbonylContact O-C 3.54Å; S561-Y577 WeakPolarHBondContact O-CA 3.45Å; S561-Y577 WeakPolarHBondContact O-CB 2.9Å; Y577-R637 WeakPolarHBondContact CD1-O 3.27Å; Y577-R637 PolarHBondContact N-O 3.24Å; Y577-R637 VanDerWaalsContact N-O 3.13Å; Y577-K638 HydrophobicContact CD2-CG 4.44Å; Y577-K638 HydrophobicContact CE1-CB 4Å; Y577-K638 HydrophobicContact CE2-CB 4.31Å; Y577-K638 HydrophobicContact CE2-CD 4.5Å; Y577-K638 HydrophobicContact CE2-CG 3.97Å; Y577-L639 PolarHBondContact O-N 3.13Å; Y577-W884 HydrophobicContact CD1-CZ3 4.3Å; Y577-I885 HydrophobicContact CD1-CG1 4.44Å; Y577-I885 HydrophobicContact CE1-CG2 4.4Å; Y577-I885 HydrophobicContact CG-CD1 4.46Å |
| 578 | V | 90 | Very high | 84.2 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | P560 S561 Y618 L639 I644 L646 | P560-V578 CarbonylContact C-O 3.56Å; P560-V578 VanDerWaalsContact CA-O 3.25Å; P560-V578 WeakPolarHBondContact CA-O 3.46Å; P560-V578 WeakPolarHBondContact CB-O 3.41Å; S561-V578 PolarHBondContact N-O 3.06Å; S561-V578 PolarHBondContact O-N 2.67Å; S561-V578 WeakPolarHBondContact OG-CB 3.19Å; S561-V578 PolarHBondContact OG-O 3.15Å; V578-Y618 HydrophobicContact CG2-CD2 4.42Å; V578-Y618 HydrophobicContact CG2-CE1 4.42Å; V578-Y618 HydrophobicContact CG2-CE2 4.25Å; V578-L639 HydrophobicContact CG2-CB 4.08Å; V578-L639 HydrophobicContact CG2-CD1 3.82Å; V578-I644 HydrophobicContact CG1-CD1 4.47Å; V578-I644 HydrophobicContact CG2-CD1 3.57Å; V578-L646 HydrophobicContact CG1-CD1 4.05Å; V578-L646 HydrophobicContact CG1-CD2 3.85Å |
| 579 | S | 85.6 | Confident | 84.4 | Confident | 62 Ų | 62 | 38.4 Ų | 38.4 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | trans | -96 | 132.4 | -177.2 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 580 | F | 82.3 | Confident | 84.3 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | trans | -141.2 | 170.8 | 171 | 61.2 | -92 | 0 | 0 | 0 | 110.7 | V555 G559 S561 V584 L602 V604 Y616 | V555-F580 HydrophobicContact CG1-CE1 4.5Å; V555-F580 HydrophobicContact CG1-CZ 3.74Å; V555-F580 HydrophobicContact CG2-CE1 4.47Å; V555-F580 HydrophobicContact CG2-CZ 4.46Å; G559-F580 VanDerWaalsContact O-CE1 3.31Å; G559-F580 WeakPolarHBondContact O-CE1 3.36Å; G559-F580 VanDerWaalsContact O-CE2 3.26Å; G559-F580 WeakPolarHBondContact O-CE2 3.33Å; G559-F580 WeakPolarHBondContact O-CZ 3.08Å; S561-F580 VanDerWaalsContact N-CE1 3.3Å; F580-V584 HydrophobicContact CD2-CG2 4.49Å; F580-V584 HydrophobicContact CE2-CG2 3.48Å; F580-V584 VanDerWaalsContact CE2-CG2 3.48Å; F580-V584 HydrophobicContact CZ-CG2 3.89Å; F580-L602 HydrophobicContact CD1-CD1 3.71Å; F580-L602 HydrophobicContact CE1-CD1 3.74Å; F580-L602 HydrophobicContact CE1-CD2 4.45Å; F580-L602 HydrophobicContact CG-CD1 4.44Å; F580-V604 HydrophobicContact CD2-CG2 4.29Å; F580-Y616 HydrophobicContact CB-CD2 4.28Å; F580-Y616 HydrophobicContact CB-CE1 4.39Å; F580-Y616 HydrophobicContact CB-CE2 4.15Å; F580-Y616 HydrophobicContact CB-CG 4.44Å | ||
| 581 | I | 79.9 | Confident | 84 | Confident | 125 Ų | 125 | 32.6 Ų | 32.6 | 64% | 0.641 | 17% | 0.17 | S | C | * | . | trans | -130.9 | 132.5 | -177.5 | -56.6 | 170.7 | 0 | 0 | 0 | 108.8 | V604 | I581-V604 WeakPolarHBondContact O-CG1 3.41Š| ||
| 582 | G | 81.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 125.9 | 173.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N558 V604 S605 | N558-G582 PolarHBondContact N-O 3.44Å; N558-G582 WeakPolarHBondContact OD1-CA 3.39Å; N558-G582 PolarHBondContact OD1-N 3.39Å; N558-G582 VanDerWaalsContact OD1-N 3.12Å; N558-G582 PolarHBondContact OD1-O 2.73Å; G582-V604 VanDerWaalsContact CA-CG1 3.41Å; G582-S605 CarbonylContact C-O 3.6Å; G582-S605 WeakPolarHBondContact CA-O 3.43Å |
| 583 | R | 83.5 | Confident | 82 | Confident | 101 Ų | 101 | 35.8 Ų | 35.8 | 38% | 0.381 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 130.5 | 175.3 | -175.4 | -175.2 | -175 | -167.6 | -0.8 | 110.5 | D557 V604 S605 T608 | D557-R583 WeakPolarHBondContact OD1-CG 3.41Å; R583-V604 CarbonylContact O-C 3.49Å; R583-V604 VanDerWaalsContact O-CA 3.28Å; R583-V604 WeakPolarHBondContact O-CA 3.3Å; R583-S605 PolarHBondContact N-O 3.14Å; R583-S605 PolarHBondContact O-N 2.78Å; R583-T608 PolarHBondContact NH1-O 3.3Å |
| 584 | V | 84.3 | Confident | 80.9 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.6 | -179 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | H542 V555 D557 F580 L602 V604 | H542-V584 PolarHBondContact NE2-O 3.46Å; V555-V584 HydrophobicContact CG1-CB 4.01Å; V555-V584 HydrophobicContact CG1-CG1 3.9Å; V555-V584 HydrophobicContact CG1-CG2 3.56Å; D557-V584 PolarHBondContact OD1-N 2.82Å; F580-V584 HydrophobicContact CD2-CG2 4.49Å; F580-V584 HydrophobicContact CE2-CG2 3.48Å; F580-V584 VanDerWaalsContact CE2-CG2 3.48Å; F580-V584 HydrophobicContact CZ-CG2 3.89Å; V584-L602 HydrophobicContact CG1-CD2 4.24Å; V584-V604 HydrophobicContact CG2-CG2 4.38Å |
| 585 | H | 78.4 | Confident | 79.7 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 19% | 0.185 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -36 | 177.2 | -73.3 | -81.9 | 0 | 0 | 0 | 112.4 | A603 S605 K610 A612 | H585-A603 PolarHBondContact N-O 3.43Å; H585-S605 WeakPolarHBondContact NE2-CB 3.23Å; H585-K610 PolarHBondContact CE1-O 2.95Å; H585-K610 PolarHBondContact NE2-O 3.46Å; H585-A612 HydrophobicContact CB-CB 4.5Å |
| 586 | N | 80.4 | Confident | 78.9 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 145.2 | 179.9 | -156.7 | 11.6 | 0 | 0 | 0 | 111 | A603 V658 | N586-A603 HydrophobicContact CB-CB 4.1Å; N586-A603 PolarHBondContact O-N 2.96Å; N586-V658 PolarHBondContact ND2-O 2.94Å |
| 587 | L | 85.8 | Confident | 78.3 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.9 | 173.5 | 169.3 | 65.9 | 0 | 0 | 0 | 107.8 | H542 A544 T553 V555 V600 L601 L602 | H542-L587 HydrophobicContact CB-CB 3.91Å; H542-L587 HydrophobicContact CB-CD2 4Å; A544-L587 HydrophobicContact CB-CD2 3.73Å; A544-L587 HydrophobicContact CB-CG 3.68Å; T553-L587 HydrophobicContact CG2-CD1 4.25Å; V555-L587 HydrophobicContact CB-CD2 4.27Å; V555-L587 HydrophobicContact CG2-CD1 4.35Å; V555-L587 HydrophobicContact CG2-CD2 4.05Å; L587-V600 HydrophobicContact CD1-CG1 3.84Å; L587-L601 WeakPolarHBondContact CA-O 3.44Å; L587-L602 HydrophobicContact CB-CD2 4.46Å; L587-L602 HydrophobicContact CD1-CD2 3.56Å; L587-L602 HydrophobicContact CD1-CG 4.2Å |
| 588 | S | 81 | Confident | 77.9 | Confident | 30 Ų | 30 | 45 Ų | 45 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.9 | 175.4 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | L601 | S588-L601 PolarHBondContact N-O 2.95Å; S588-L601 PolarHBondContact O-N 2.97Å |
| 589 | M | 83.8 | Confident | 77.5 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.2 | 174.1 | -63.5 | -175.3 | 70.3 | 0 | 0 | 109.2 | A544 D546 F551 T553 L563 I598 F599 V600 I620 | A544-M589 HydrophobicContact CB-CG 4.05Å; A544-M589 HydrophobicContact CB-SD 4.4Å; D546-M589 HydrophobicContact CB-CB 4.47Å; D546-M589 HydrophobicContact CB-CE 3.94Å; F551-M589 HydrophobicContact CB-CE 4.17Å; T553-M589 WeakPolarHBondContact OG1-CE 3.36Å; T553-M589 PolarHBondContact OG1-SD 3.29Å; L563-M589 HydrophobicContact CD1-CE 4.26Å; M589-I598 HydrophobicContact CE-CG2 3.99Å; M589-F599 WeakPolarHBondContact CA-O 3.5Å; M589-V600 HydrophobicContact CE-CG2 3.96Å; M589-V600 HydrophobicContact CG-CG1 4.27Å; M589-V600 HydrophobicContact CG-CG2 4.08Å; M589-I620 HydrophobicContact CE-CD1 4.21Å |
| 590 | I | 77.8 | Confident | 77.5 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.1 | -175.9 | -63.2 | 166.2 | 0 | 0 | 0 | 108.7 | I598 F599 L601 Y660 P662 | I590-I598 CarbonylContact O-C 3.48Å; I590-I598 WeakPolarHBondContact O-CA 3.4Å; I590-F599 PolarHBondContact N-O 2.84Å; I590-F599 PolarHBondContact O-N 3.31Å; I590-L601 HydrophobicContact CD1-CD1 4.26Å; I590-Y660 HydrophobicContact CD1-CD1 3.66Å; I590-Y660 HydrophobicContact CD1-CG 4.19Å; I590-Y660 WeakPolarHBondContact CD1-O 3.48Å; I590-P662 HydrophobicContact CG2-CG 3.95Å |
| 591 | R | 74.8 | Confident | 77.5 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.1 | 175.2 | -169.3 | 170.7 | -81.3 | -149.3 | -7.7 | 110.1 | D546 P547 D548 E550 I598 | D546-R591 IonicContact OD2-CZ 2.98Å; D546-R591 IonicContact OD2-NE 3.64Å; D546-R591 IonicContact OD2-NH2 2.68Å; D546-R591 PolarHBondContact OD2-NH2 2.81Å; P547-R591 HydrophobicContact CG-CB 4.14Å; D548-R591 WeakPolarHBondContact OD2-CD 3.41Å; D548-R591 IonicContact OD2-CZ 3.14Å; D548-R591 VanDerWaalsContact OD2-CZ 3.32Å; D548-R591 IonicContact OD2-NE 3.83Å; D548-R591 PolarHBondContact OD2-NE 2.85Å; D548-R591 IonicContact OD2-NH1 2.86Å; D548-R591 PolarHBondContact OD2-NH1 3.19Å; E550-R591 IonicContact OE1-NH1 3.25Å; E550-R591 IonicContact OE2-CZ 2.85Å; E550-R591 VanDerWaalsContact OE2-CZ 3.24Å; E550-R591 IonicContact OE2-NH1 3.8Å; E550-R591 PolarHBondContact OE2-NH1 3.19Å; E550-R591 IonicContact OE2-NH2 2.76Å; E550-R591 PolarHBondContact OE2-NH2 2.75Å; R591-I598 HydrophobicContact CG-CG1 4.22Å; R591-I598 VanDerWaalsContact NH2-CD1 3.28Å |
| 592 | S | 69.1 | Low | 77.8 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | trans | -66.8 | 152.8 | 172.8 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | D594 S595 K597 | S592-D594 PolarHBondContact O-N 2.8Å; S592-S595 WeakPolarHBondContact O-CA 3.18Å; S592-S595 PolarHBondContact O-N 3.31Å; S592-K597 PolarHBondContact N-O 2.86Å | ||
| 593 | K | 61.1 | Low | 77.9 | Confident | 126 Ų | 126 | 36.6 Ų | 36.6 | 55% | 0.548 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.9 | 174.5 | -87.5 | -149.3 | 179 | 149.2 | 0 | 114 | S595 N664 D665 | K593-S595 PolarHBondContact O-N 2.57Å; K593-N664 HydrophobicContact CB-CB 4.29Å; K593-N664 VanDerWaalsContact CD-O 3.27Å; K593-N664 WeakPolarHBondContact CD-O 3.07Å; K593-N664 PolarHBondContact NZ-O 3.36Å; K593-D665 WeakPolarHBondContact CE-O 3.36Å; K593-D665 WeakPolarHBondContact CE-OD1 3.21Å; K593-D665 WeakPolarHBondContact CG-OD1 3.34Å; K593-D665 VanDerWaalsContact NZ-C 3.27Å; K593-D665 PolarHBondContact NZ-O 3.48Å |
| 594 | D | 62.4 | Low | 78 | Confident | 100 Ų | 100 | 32 Ų | 32 | 54% | 0.535 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 2.9 | 177.9 | -55.1 | -38.8 | 0 | 0 | 0 | 112.3 | S592 S596 N664 | S592-D594 PolarHBondContact O-N 2.8Å; D594-S596 PolarHBondContact O-N 3.48Å; D594-N664 PolarHBondContact OD2-ND2 3Å |
| 595 | S | 64.2 | Low | 77.9 | Confident | 67 Ų | 67 | 31.9 Ų | 31.9 | 47% | 0.469 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 50.2 | 6.9 | -173.9 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | S592 K593 A622 | S592-S595 WeakPolarHBondContact O-CA 3.18Å; S592-S595 PolarHBondContact O-N 3.31Å; K593-S595 PolarHBondContact O-N 2.57Å; S595-A622 WeakPolarHBondContact O-CB 3.17Å |
| 596 | S | 71.3 | Confident | 77.7 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 40% | 0.399 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -84.8 | -25.4 | -172.9 | 60 | 0 | 0 | 0 | 0 | 114 | D594 P621 A622 | D594-S596 PolarHBondContact O-N 3.48Å; S596-P621 WeakPolarHBondContact O-CA 3.36Å; S596-A622 PolarHBondContact O-N 3.13Å |
| 597 | K | 76.4 | Confident | 77.1 | Confident | 84 Ų | 84 | 37 Ų | 37 | 37% | 0.365 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.4 | -173.7 | -64 | -174.4 | 174.4 | -161.2 | 0 | 111.8 | S592 F599 E619 | S592-K597 PolarHBondContact N-O 2.86Å; K597-F599 HydrophobicContact CB-CE2 4.32Å; K597-F599 HydrophobicContact CB-CZ 4.42Å; K597-F599 HydrophobicContact CD-CZ 4.5Å; K597-E619 IonicContact NZ-OE2 3.63Å; K597-E619 PolarHBondContact NZ-OE2 3.32Å |
| 598 | I | 81.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.6 | 173.8 | -47.7 | 166.8 | 0 | 0 | 0 | 107.7 | D546 F551 M589 I590 R591 E619 I620 | D546-I598 HydrophobicContact CB-CD1 4.42Å; D546-I598 HydrophobicContact CB-CG2 4.13Å; F551-I598 HydrophobicContact CD2-CD1 3.32Å; F551-I598 HydrophobicContact CE2-CD1 3.75Å; F551-I598 HydrophobicContact CG-CD1 4.25Å; M589-I598 HydrophobicContact CE-CG2 3.99Å; I590-I598 CarbonylContact O-C 3.48Å; I590-I598 WeakPolarHBondContact O-CA 3.4Å; R591-I598 HydrophobicContact CG-CG1 4.22Å; R591-I598 VanDerWaalsContact NH2-CD1 3.28Å; I598-E619 CarbonylContact O-C 3.47Å; I598-E619 WeakPolarHBondContact O-CA 3.29Å; I598-I620 HydrophobicContact CB-CB 4.18Å; I598-I620 PolarHBondContact N-O 2.78Å; I598-I620 PolarHBondContact O-N 3.14Å |
| 599 | F | 82.4 | Confident | 74.8 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.2 | 176.9 | -60.3 | -86.7 | 0 | 0 | 0 | 108.9 | M589 I590 K597 E619 Y660 | M589-F599 WeakPolarHBondContact CA-O 3.5Å; I590-F599 PolarHBondContact N-O 2.84Å; I590-F599 PolarHBondContact O-N 3.31Å; K597-F599 HydrophobicContact CB-CE2 4.32Å; K597-F599 HydrophobicContact CB-CZ 4.42Å; K597-F599 HydrophobicContact CD-CZ 4.5Å; F599-E619 HydrophobicContact CD1-CG 3.72Å; F599-E619 HydrophobicContact CE1-CG 3.55Å; F599-E619 WeakPolarHBondContact CE1-OE1 3.44Å; F599-Y660 HydrophobicContact CD2-CE1 4.41Å; F599-Y660 HydrophobicContact CG-CE1 4.4Å |
| 600 | V | 84.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.7 | 171.2 | -172 | 0 | 0 | 0 | 0 | 109.3 | T553 L587 M589 Q617 Y618 I620 | T553-V600 HydrophobicContact CG2-CG1 4.34Å; L587-V600 HydrophobicContact CD1-CG1 3.84Å; M589-V600 HydrophobicContact CE-CG2 3.96Å; M589-V600 HydrophobicContact CG-CG1 4.27Å; M589-V600 HydrophobicContact CG-CG2 4.08Å; V600-Q617 VanDerWaalsContact O-CA 3.31Å; V600-Q617 WeakPolarHBondContact O-CA 3.1Å; V600-Y618 HydrophobicContact CB-CD1 4.06Å; V600-Y618 HydrophobicContact CB-CD2 4.08Å; V600-Y618 HydrophobicContact CB-CE1 3.61Å; V600-Y618 HydrophobicContact CB-CE2 3.64Å; V600-Y618 HydrophobicContact CB-CG 4.28Å; V600-Y618 HydrophobicContact CG1-CE1 3.66Å; V600-Y618 HydrophobicContact CG1-CE2 4.26Å; V600-Y618 WeakPolarHBondContact CG1-OH 3.35Å; V600-Y618 HydrophobicContact CG2-CD2 4.14Å; V600-Y618 HydrophobicContact CG2-CE1 4.39Å; V600-Y618 HydrophobicContact CG2-CE2 3.52Å; V600-Y618 PolarHBondContact N-O 3.18Å; V600-Y618 PolarHBondContact O-N 2.87Å; V600-I620 HydrophobicContact CG2-CD1 3.43Å; V600-I620 VanDerWaalsContact CG2-CD1 3.43Å; V600-I620 HydrophobicContact CG2-CG1 4.24Å |
| 601 | L | 83 | Confident | 73.4 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.5 | -177.9 | -66.6 | 140.8 | 0 | 0 | 0 | 110.5 | L587 S588 I590 I615 Y616 Q617 Y660 | L587-L601 WeakPolarHBondContact CA-O 3.44Å; S588-L601 PolarHBondContact N-O 2.95Å; S588-L601 PolarHBondContact O-N 2.97Å; I590-L601 HydrophobicContact CD1-CD1 4.26Å; L601-I615 HydrophobicContact CB-CG2 4.46Å; L601-I615 HydrophobicContact CD2-CG2 3.75Å; L601-Y616 CarbonylContact C-O 3.55Å; L601-Y616 WeakPolarHBondContact CA-O 3.3Å; L601-Q617 HydrophobicContact CD2-CB 3.94Å; L601-Q617 HydrophobicContact CD2-CG 3.91Å; L601-Y660 HydrophobicContact CD1-CD1 4.03Å; L601-Y660 HydrophobicContact CD1-CD2 4.07Å; L601-Y660 HydrophobicContact CD1-CG 3.54Å; L601-Y660 HydrophobicContact CD2-CD2 4.27Å |
| 602 | L | 85.2 | Confident | 73.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.5 | -179.8 | -70.1 | 161.4 | 0 | 0 | 0 | 109.3 | V555 F580 V584 L587 V604 I615 Y616 Y618 | V555-L602 HydrophobicContact CB-CD2 4.48Å; V555-L602 HydrophobicContact CG1-CD2 4.08Å; V555-L602 HydrophobicContact CG2-CD2 3.7Å; F580-L602 HydrophobicContact CD1-CD1 3.71Å; F580-L602 HydrophobicContact CE1-CD1 3.74Å; F580-L602 HydrophobicContact CE1-CD2 4.45Å; F580-L602 HydrophobicContact CG-CD1 4.44Å; V584-L602 HydrophobicContact CG1-CD2 4.24Å; L587-L602 HydrophobicContact CB-CD2 4.46Å; L587-L602 HydrophobicContact CD1-CD2 3.56Å; L587-L602 HydrophobicContact CD1-CG 4.2Å; L602-V604 HydrophobicContact CB-CG2 4.21Å; L602-I615 CarbonylContact O-C 3.56Å; L602-I615 VanDerWaalsContact O-CA 3.26Å; L602-I615 WeakPolarHBondContact O-CA 3.23Å; L602-Y616 PolarHBondContact N-O 2.69Å; L602-Y616 PolarHBondContact O-N 3.34Å; L602-Y618 HydrophobicContact CD1-CE1 4.06Å |
| 603 | A | 84.2 | Confident | 74 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | H585 N586 A612 V658 | H585-A603 PolarHBondContact N-O 3.43Å; N586-A603 HydrophobicContact CB-CB 4.1Å; N586-A603 PolarHBondContact O-N 2.96Å; A603-A612 HydrophobicContact CB-CB 3.91Å; A603-V658 HydrophobicContact CB-CG2 4.39Å |
| 604 | V | 85.3 | Confident | 75.1 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.5 | -168.6 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | F580 I581 G582 R583 V584 L602 E613 A614 Y616 | F580-V604 HydrophobicContact CD2-CG2 4.29Å; I581-V604 WeakPolarHBondContact O-CG1 3.41Å; G582-V604 VanDerWaalsContact CA-CG1 3.41Å; R583-V604 CarbonylContact O-C 3.49Å; R583-V604 VanDerWaalsContact O-CA 3.28Å; R583-V604 WeakPolarHBondContact O-CA 3.3Å; V584-V604 HydrophobicContact CG2-CG2 4.38Å; L602-V604 HydrophobicContact CB-CG2 4.21Å; V604-E613 PolarHBondContact O-N 3.16Å; V604-A614 PolarHBondContact N-O 3.38Å; V604-A614 PolarHBondContact O-N 3.41Å; V604-Y616 HydrophobicContact CB-CD2 4.26Å; V604-Y616 HydrophobicContact CB-CE2 4.11Å; V604-Y616 HydrophobicContact CG1-CE2 4.46Å; V604-Y616 HydrophobicContact CG2-CD2 3.81Å; V604-Y616 HydrophobicContact CG2-CE2 4.05Å |
| 605 | S | 82 | Confident | 76.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | G582 R583 H585 D607 | G582-S605 CarbonylContact C-O 3.6Å; G582-S605 WeakPolarHBondContact CA-O 3.43Å; R583-S605 PolarHBondContact N-O 3.14Å; R583-S605 PolarHBondContact O-N 2.78Å; H585-S605 WeakPolarHBondContact NE2-CB 3.23Å; S605-D607 PolarHBondContact OG-N 3.21Å; S605-D607 VanDerWaalsContact OG-N 3.12Å; S605-D607 PolarHBondContact OG-O 3.29Å |
| 606 | N | 74.6 | Confident | 77.3 | Confident | 110 Ų | 110 | 39.2 Ų | 39.2 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -78.4 | -26.4 | 171.4 | -67.4 | -28.3 | 0 | 0 | 0 | 112.2 | ||
| 607 | D | 68.4 | Low | 77.9 | Confident | 74 Ų | 74 | 36.7 Ų | 36.7 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -103.7 | 138.5 | -178.3 | -75.8 | -27.5 | 0 | 0 | 0 | 112 | S605 N609 K610 | S605-D607 PolarHBondContact OG-N 3.21Å; S605-D607 VanDerWaalsContact OG-N 3.12Å; S605-D607 PolarHBondContact OG-O 3.29Å; D607-N609 VanDerWaalsContact C-N 3.31Å; D607-N609 PolarHBondContact O-N 3.13Å; D607-K610 HydrophobicContact CB-CB 3.99Å; D607-K610 HydrophobicContact CB-CD 3.86Å; D607-K610 HydrophobicContact CB-CG 3.82Å; D607-K610 PolarHBondContact O-N 3.01Å; D607-K610 VanDerWaalsContact OD2-CD 3.29Å; D607-K610 WeakPolarHBondContact OD2-CD 3.49Å; D607-K610 WeakPolarHBondContact OD2-CE 3.23Å; D607-K610 IonicContact OD2-NZ 2.73Å; D607-K610 PolarHBondContact OD2-NZ 3.25Å |
| 608 | T | 60.1 | Low | 78.4 | Confident | 97 Ų | 97 | 32.7 Ų | 32.7 | 60% | 0.595 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.6 | -179.3 | 52 | 0 | 0 | 0 | 0 | 113.7 | R583 | R583-T608 PolarHBondContact NH1-O 3.3Š|
| 609 | N | 58.9 | Low | 78.5 | Confident | 159 Ų | 159 | 33.1 Ų | 33.1 | 85% | 0.85 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -10.3 | -176.4 | -69.3 | -15.5 | 0 | 0 | 0 | 113.9 | D607 | D607-N609 VanDerWaalsContact C-N 3.31Å; D607-N609 PolarHBondContact O-N 3.13Å |
| 610 | K | 57.9 | Low | 78.6 | Confident | 92 Ų | 92 | 32.6 Ų | 32.6 | 40% | 0.4 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -92.9 | 158.6 | 179.4 | -66.2 | -175.4 | -176.2 | 157.2 | 0 | 111 | H585 D607 E613 | H585-K610 PolarHBondContact CE1-O 2.95Å; H585-K610 PolarHBondContact NE2-O 3.46Å; D607-K610 HydrophobicContact CB-CB 3.99Å; D607-K610 HydrophobicContact CB-CD 3.86Å; D607-K610 HydrophobicContact CB-CG 3.82Å; D607-K610 PolarHBondContact O-N 3.01Å; D607-K610 VanDerWaalsContact OD2-CD 3.29Å; D607-K610 WeakPolarHBondContact OD2-CD 3.49Å; D607-K610 WeakPolarHBondContact OD2-CE 3.23Å; D607-K610 IonicContact OD2-NZ 2.73Å; D607-K610 PolarHBondContact OD2-NZ 3.25Å; K610-E613 VanDerWaalsContact CD-OE1 3.23Å; K610-E613 WeakPolarHBondContact CD-OE1 3.35Å; K610-E613 IonicContact NZ-OE1 2.66Å; K610-E613 PolarHBondContact NZ-OE1 3.11Å |
| 611 | T | 73 | Confident | 78.4 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | trans | -83 | 176.4 | 171.4 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | E613 P654 K655 V656 | T611-E613 PolarHBondContact O-N 2.99Å; T611-P654 VanDerWaalsContact OG1-C 3.28Å; T611-P654 VanDerWaalsContact OG1-CB 3.32Å; T611-P654 WeakPolarHBondContact OG1-CB 3.45Å; T611-P654 PolarHBondContact OG1-O 2.82Å; T611-K655 VanDerWaalsContact CB-O 3.3Å; T611-K655 WeakPolarHBondContact CB-O 3.23Å; T611-K655 PolarHBondContact OG1-N 3.3Å; T611-V656 HydrophobicContact CG2-CB 4.49Å; T611-V656 HydrophobicContact CG2-CG2 4.08Å | ||
| 612 | A | 75.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 123.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113 | H585 A603 P654 K655 | H585-A612 HydrophobicContact CB-CB 4.5Å; A603-A612 HydrophobicContact CB-CB 3.91Å; A612-P654 CarbonylContact O-C 3.59Å; A612-P654 WeakPolarHBondContact O-CA 3.32Å; A612-K655 WeakPolarHBondContact CB-O 3.38Å; A612-K655 PolarHBondContact N-O 2.86Å; A612-K655 PolarHBondContact O-N 2.84Å |
| 613 | E | 82.2 | Confident | 77.3 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -28.8 | 178.6 | -68.6 | -177.3 | 157.2 | 0 | 0 | 111.9 | V604 K610 T611 F651 P654 | V604-E613 PolarHBondContact O-N 3.16Å; K610-E613 VanDerWaalsContact CD-OE1 3.23Å; K610-E613 WeakPolarHBondContact CD-OE1 3.35Å; K610-E613 IonicContact NZ-OE1 2.66Å; K610-E613 PolarHBondContact NZ-OE1 3.11Å; T611-E613 PolarHBondContact O-N 2.99Å; E613-F651 PolarHBondContact O-N 3.17Å; E613-P654 HydrophobicContact CG-CB 4.44Å |
| 614 | A | 84 | Confident | 76.9 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 160.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V604 K648 W649 | V604-A614 PolarHBondContact N-O 3.38Å; V604-A614 PolarHBondContact O-N 3.41Å; A614-K648 HydrophobicContact CB-CG 4.41Å; A614-W649 CarbonylContact C-O 3.58Å; A614-W649 WeakPolarHBondContact CA-O 2.88Å; A614-W649 WeakPolarHBondContact CB-O 3.41Å |
| 615 | I | 85.3 | Confident | 76 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127 | 171.2 | -61.8 | 164.7 | 0 | 0 | 0 | 108.6 | L601 L602 K648 W649 F651 V658 I674 | L601-I615 HydrophobicContact CB-CG2 4.46Å; L601-I615 HydrophobicContact CD2-CG2 3.75Å; L602-I615 CarbonylContact O-C 3.56Å; L602-I615 VanDerWaalsContact O-CA 3.26Å; L602-I615 WeakPolarHBondContact O-CA 3.23Å; I615-K648 CarbonylContact O-C 3.54Å; I615-K648 WeakPolarHBondContact O-CA 3.49Å; I615-W649 HydrophobicContact CB-CB 4.32Å; I615-W649 PolarHBondContact N-O 3.4Å; I615-W649 PolarHBondContact O-N 3.1Å; I615-F651 HydrophobicContact CD1-CE1 4.2Å; I615-F651 HydrophobicContact CD1-CE2 3.5Å; I615-F651 VanDerWaalsContact CD1-CE2 3.5Å; I615-F651 HydrophobicContact CD1-CZ 3.23Å; I615-F651 HydrophobicContact CG1-CE2 3.66Å; I615-F651 HydrophobicContact CG1-CZ 3.96Å; I615-V658 HydrophobicContact CD1-CB 4.49Å; I615-V658 HydrophobicContact CD1-CG1 3.49Å; I615-V658 VanDerWaalsContact CD1-CG1 3.49Å; I615-V658 HydrophobicContact CD1-CG2 4.31Å; I615-V658 HydrophobicContact CG1-CG1 4.31Å; I615-I674 HydrophobicContact CD1-CD1 4.19Å; I615-I674 HydrophobicContact CD1-CG2 4.14Å |
| 616 | Y | 86.3 | Confident | 75.1 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.1 | 164.1 | -64 | -96.6 | 0 | 0 | 0 | 109.1 | F580 L601 L602 V604 I647 K648 | F580-Y616 HydrophobicContact CB-CD2 4.28Å; F580-Y616 HydrophobicContact CB-CE1 4.39Å; F580-Y616 HydrophobicContact CB-CE2 4.15Å; F580-Y616 HydrophobicContact CB-CG 4.44Å; L601-Y616 CarbonylContact C-O 3.55Å; L601-Y616 WeakPolarHBondContact CA-O 3.3Å; L602-Y616 PolarHBondContact N-O 2.69Å; L602-Y616 PolarHBondContact O-N 3.34Å; V604-Y616 HydrophobicContact CB-CD2 4.26Å; V604-Y616 HydrophobicContact CB-CE2 4.11Å; V604-Y616 HydrophobicContact CG1-CE2 4.46Å; V604-Y616 HydrophobicContact CG2-CD2 3.81Å; V604-Y616 HydrophobicContact CG2-CE2 4.05Å; Y616-I647 CarbonylContact C-O 3.59Å; Y616-I647 WeakPolarHBondContact CA-O 3.48Å; Y616-K648 HydrophobicContact CD1-CB 3.98Å; Y616-K648 HydrophobicContact CD1-CG 4.1Å; Y616-K648 HydrophobicContact CE1-CB 3.92Å; Y616-K648 HydrophobicContact CE1-CD 3.68Å; Y616-K648 HydrophobicContact CE1-CG 3.76Å; Y616-K648 HydrophobicContact CE2-CD 4.49Å; Y616-K648 HydrophobicContact CE2-CG 4.45Å; Y616-K648 WeakPolarHBondContact OH-CE 3.47Å; Y616-K648 PolarHBondContact OH-NZ 2.81Å |
| 617 | Q | 85.1 | Confident | 74.3 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.7 | 178.4 | -179.7 | -178.1 | -2.6 | 0 | 0 | 109.2 | V600 L601 L646 I647 | V600-Q617 VanDerWaalsContact O-CA 3.31Å; V600-Q617 WeakPolarHBondContact O-CA 3.1Å; L601-Q617 HydrophobicContact CD2-CB 3.94Å; L601-Q617 HydrophobicContact CD2-CG 3.91Å; Q617-L646 WeakPolarHBondContact O-CA 3.47Å; Q617-I647 PolarHBondContact N-O 3.01Å; Q617-I647 PolarHBondContact O-N 3.16Å |
| 618 | Y | 87.2 | Confident | 74 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 148.5 | 169.1 | 60.5 | -87.7 | 0 | 0 | 0 | 111.7 | T553 V578 V600 L602 I620 I644 L646 | T553-Y618 WeakPolarHBondContact CG2-OH 2.99Å; V578-Y618 HydrophobicContact CG2-CD2 4.42Å; V578-Y618 HydrophobicContact CG2-CE1 4.42Å; V578-Y618 HydrophobicContact CG2-CE2 4.25Å; V600-Y618 HydrophobicContact CB-CD1 4.06Å; V600-Y618 HydrophobicContact CB-CD2 4.08Å; V600-Y618 HydrophobicContact CB-CE1 3.61Å; V600-Y618 HydrophobicContact CB-CE2 3.64Å; V600-Y618 HydrophobicContact CB-CG 4.28Å; V600-Y618 HydrophobicContact CG1-CE1 3.66Å; V600-Y618 HydrophobicContact CG1-CE2 4.26Å; V600-Y618 WeakPolarHBondContact CG1-OH 3.35Å; V600-Y618 HydrophobicContact CG2-CD2 4.14Å; V600-Y618 HydrophobicContact CG2-CE1 4.39Å; V600-Y618 HydrophobicContact CG2-CE2 3.52Å; V600-Y618 PolarHBondContact N-O 3.18Å; V600-Y618 PolarHBondContact O-N 2.87Å; L602-Y618 HydrophobicContact CD1-CE1 4.06Å; Y618-I620 HydrophobicContact CD2-CD1 4.48Å; Y618-I620 HydrophobicContact CD2-CG1 4.03Å; Y618-I620 HydrophobicContact CE2-CD1 3.94Å; Y618-I620 HydrophobicContact CE2-CG1 3.95Å; Y618-I644 HydrophobicContact CD2-CD1 4.24Å; Y618-I644 HydrophobicContact CG-CD1 4.26Å; Y618-L646 HydrophobicContact CD1-CD1 4.13Å; Y618-L646 HydrophobicContact CG-CD1 4.43Å |
| 619 | E | 83.9 | Confident | 74.3 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128 | -179.8 | -56.7 | -172.8 | -175.3 | 0 | 0 | 110.1 | K597 I598 F599 I644 N645 K694 | K597-E619 IonicContact NZ-OE2 3.63Å; K597-E619 PolarHBondContact NZ-OE2 3.32Å; I598-E619 CarbonylContact O-C 3.47Å; I598-E619 WeakPolarHBondContact O-CA 3.29Å; F599-E619 HydrophobicContact CD1-CG 3.72Å; F599-E619 HydrophobicContact CE1-CG 3.55Å; F599-E619 WeakPolarHBondContact CE1-OE1 3.44Å; E619-I644 PolarHBondContact N-O 3.48Å; E619-I644 VanDerWaalsContact O-CA 3.25Å; E619-I644 WeakPolarHBondContact O-CA 3.4Å; E619-I644 VanDerWaalsContact O-CB 3.31Å; E619-I644 WeakPolarHBondContact O-CB 3.15Å; E619-N645 HydrophobicContact CB-CB 4.47Å; E619-N645 HydrophobicContact CG-CB 4.16Å; E619-N645 PolarHBondContact OE2-ND2 3.19Å; E619-K694 IonicContact OE1-NZ 2.57Å; E619-K694 PolarHBondContact OE1-NZ 3.29Å |
| 620 | I | 84.3 | Confident | 74.6 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.8 | 171.4 | -53.9 | 161.6 | 0 | 0 | 0 | 107.4 | L563 M589 I598 V600 Y618 I624 | L563-I620 HydrophobicContact CD1-CD1 3.51Å; L563-I620 HydrophobicContact CD2-CD1 3.64Å; L563-I620 HydrophobicContact CD2-CG1 4.03Å; L563-I620 HydrophobicContact CD2-CG2 3.97Å; L563-I620 HydrophobicContact CG-CD1 4.18Å; M589-I620 HydrophobicContact CE-CD1 4.21Å; I598-I620 HydrophobicContact CB-CB 4.18Å; I598-I620 PolarHBondContact N-O 2.78Å; I598-I620 PolarHBondContact O-N 3.14Å; V600-I620 HydrophobicContact CG2-CD1 3.43Å; V600-I620 VanDerWaalsContact CG2-CD1 3.43Å; V600-I620 HydrophobicContact CG2-CG1 4.24Å; Y618-I620 HydrophobicContact CD2-CD1 4.48Å; Y618-I620 HydrophobicContact CD2-CG1 4.03Å; Y618-I620 HydrophobicContact CE2-CD1 3.94Å; Y618-I620 HydrophobicContact CE2-CG1 3.95Å; I620-I624 HydrophobicContact CG2-CB 4.46Å; I620-I624 HydrophobicContact CG2-CD1 4.39Å; I620-I624 HydrophobicContact CG2-CG2 3.66Å |
| 621 | P | 80.4 | Confident | 75.3 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140.2 | 173.2 | 24.2 | -26 | 0 | 0 | 0 | 110.7 | S596 E623 I624 Y632 | S596-P621 WeakPolarHBondContact O-CA 3.36Å; P621-E623 PolarHBondContact O-N 3.38Å; P621-E623 VanDerWaalsContact O-N 3.15Å; P621-I624 WeakPolarHBondContact O-CB 3.45Å; P621-I624 WeakPolarHBondContact O-CG2 3.43Å; P621-I624 PolarHBondContact O-N 2.82Å; P621-I624 VanDerWaalsContact O-N 3.09Å; P621-Y632 HydrophobicContact CG-CD1 4.1Å; P621-Y632 HydrophobicContact CG-CE1 3.3Å; P621-Y632 HydrophobicContact CG-CE2 4.12Å; P621-Y632 VanDerWaalsContact CG-OH 3.27Å; P621-Y632 WeakPolarHBondContact CG-OH 3.45Å |
| 622 | A | 71.7 | Confident | 75.6 | Confident | 26 Ų | 26 | 42 Ų | 42 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -59.9 | -26.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S595 S596 I624 G625 | S595-A622 WeakPolarHBondContact O-CB 3.17Å; S596-A622 PolarHBondContact O-N 3.13Å; A622-I624 PolarHBondContact O-N 3.49Å; A622-I624 VanDerWaalsContact O-N 3.14Å; A622-G625 PolarHBondContact O-N 2.74Å |
| 623 | E | 71.9 | Confident | 76 | Confident | 114 Ų | 114 | 43 Ų | 43 | 53% | 0.533 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -60.6 | -18.7 | 175.8 | -62.3 | 178 | -174.9 | 0 | 0 | 114.2 | P621 G625 S626 | P621-E623 PolarHBondContact O-N 3.38Å; P621-E623 VanDerWaalsContact O-N 3.15Å; E623-G625 PolarHBondContact O-N 2.85Å; E623-G625 VanDerWaalsContact O-N 3.14Å; E623-S626 PolarHBondContact O-N 2.75Å; E623-S626 VanDerWaalsContact O-N 3.15Å; E623-S626 PolarHBondContact O-OG 2.98Å |
| 624 | I | 77 | Confident | 76 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -60.1 | -25.5 | 177.5 | -153.2 | 166 | 0 | 0 | 0 | 111.3 | F551 I575 I620 P621 A622 E629 Y632 L639 | F551-I624 HydrophobicContact CE1-CG2 3.54Å; F551-I624 HydrophobicContact CE2-CG2 4.28Å; F551-I624 HydrophobicContact CZ-CG2 3.4Å; I575-I624 HydrophobicContact CG2-CD1 4.2Å; I575-I624 HydrophobicContact CG2-CG1 4.35Å; I620-I624 HydrophobicContact CG2-CB 4.46Å; I620-I624 HydrophobicContact CG2-CD1 4.39Å; I620-I624 HydrophobicContact CG2-CG2 3.66Å; P621-I624 WeakPolarHBondContact O-CB 3.45Å; P621-I624 WeakPolarHBondContact O-CG2 3.43Å; P621-I624 PolarHBondContact O-N 2.82Å; P621-I624 VanDerWaalsContact O-N 3.09Å; A622-I624 PolarHBondContact O-N 3.49Å; A622-I624 VanDerWaalsContact O-N 3.14Å; I624-E629 WeakPolarHBondContact O-CG 3.27Å; I624-Y632 HydrophobicContact CB-CD2 4.39Å; I624-Y632 HydrophobicContact CD1-CD2 4.16Å; I624-Y632 HydrophobicContact CD1-CG 3.92Å; I624-Y632 HydrophobicContact CG1-CD2 3.89Å; I624-Y632 HydrophobicContact CG1-CG 4.19Å; I624-L639 HydrophobicContact CD1-CD2 4.05Å |
| 625 | G | 65.4 | Low | 75.6 | Confident | 24 Ų | 24 | 49 Ų | 49 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -78.3 | -26 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K570 A622 E623 N627 | K570-G625 PolarHBondContact NZ-O 3.23Å; A622-G625 PolarHBondContact O-N 2.74Å; E623-G625 PolarHBondContact O-N 2.85Å; E623-G625 VanDerWaalsContact O-N 3.14Å; G625-N627 VanDerWaalsContact C-N 3.33Å; G625-N627 PolarHBondContact O-N 3.35Å |
| 626 | S | 63.8 | Low | 75.5 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 25 | -168.7 | 48.8 | 0 | 0 | 0 | 0 | 115.5 | E623 | E623-S626 PolarHBondContact O-N 2.75Å; E623-S626 VanDerWaalsContact O-N 3.15Å; E623-S626 PolarHBondContact O-OG 2.98Å |
| 627 | N | 58.8 | Low | 75.4 | Confident | 134 Ų | 134 | 56.4 Ų | 56.4 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 9 | -179.2 | -55.5 | -25.2 | 0 | 0 | 0 | 117.2 | G625 E629 | G625-N627 VanDerWaalsContact C-N 3.33Å; G625-N627 PolarHBondContact O-N 3.35Å; N627-E629 VanDerWaalsContact C-N 3.3Å; N627-E629 PolarHBondContact O-N 3.48Å |
| 628 | N | 61.4 | Low | 75.5 | Confident | 74 Ų | 74 | 59 Ų | 59 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | trans | -91.7 | 25.2 | 172 | -73.7 | -4.3 | 0 | 0 | 0 | 113.2 | V630 D631 Y632 | N628-V630 VanDerWaalsContact C-N 3.25Å; N628-V630 PolarHBondContact O-N 2.88Å; N628-D631 PolarHBondContact O-N 2.74Å; N628-Y632 WeakPolarHBondContact O-CD2 3.43Å | ||
| 629 | E | 65.2 | Low | 75.5 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -37.3 | -176.3 | -66.5 | 175.5 | -166 | 0 | 0 | 112.4 | K570 I575 I624 N627 D631 Y632 V633 | K570-E629 IonicContact NZ-OE1 3.62Å; K570-E629 PolarHBondContact NZ-OE1 3.14Å; I575-E629 HydrophobicContact CG2-CG 4.49Å; I624-E629 WeakPolarHBondContact O-CG 3.27Å; N627-E629 VanDerWaalsContact C-N 3.3Å; N627-E629 PolarHBondContact O-N 3.48Å; E629-D631 PolarHBondContact O-N 3.31Å; E629-Y632 PolarHBondContact O-N 3.46Å; E629-V633 WeakPolarHBondContact O-CB 3.32Å; E629-V633 WeakPolarHBondContact O-CG2 3.14Å |
| 630 | V | 65.8 | Low | 75.5 | Confident | 126 Ų | 126 | 62 Ų | 62 | 76% | 0.764 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.4 | -26.8 | -177.1 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | N628 | N628-V630 VanDerWaalsContact C-N 3.25Å; N628-V630 PolarHBondContact O-N 2.88Å |
| 631 | D | 72.6 | Confident | 75.3 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -76.6 | -30.9 | -179.7 | -77.5 | -27.9 | 0 | 0 | 0 | 112.6 | N628 E629 K643 | N628-D631 PolarHBondContact O-N 2.74Å; E629-D631 PolarHBondContact O-N 3.31Å; D631-K643 VanDerWaalsContact O-CD 3.27Å; D631-K643 WeakPolarHBondContact O-CD 3.49Å; D631-K643 WeakPolarHBondContact O-CE 3.25Å; D631-K643 PolarHBondContact O-NZ 3.09Å |
| 632 | Y | 80 | Confident | 75.2 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 14% | 0.137 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -90.9 | -11.8 | -173.1 | -70 | -81.6 | 0 | 0 | 0 | 113.6 | P621 I624 N628 E629 N640 K643 | P621-Y632 HydrophobicContact CG-CD1 4.1Å; P621-Y632 HydrophobicContact CG-CE1 3.3Å; P621-Y632 HydrophobicContact CG-CE2 4.12Å; P621-Y632 VanDerWaalsContact CG-OH 3.27Å; P621-Y632 WeakPolarHBondContact CG-OH 3.45Å; I624-Y632 HydrophobicContact CB-CD2 4.39Å; I624-Y632 HydrophobicContact CD1-CD2 4.16Å; I624-Y632 HydrophobicContact CD1-CG 3.92Å; I624-Y632 HydrophobicContact CG1-CD2 3.89Å; I624-Y632 HydrophobicContact CG1-CG 4.19Å; N628-Y632 WeakPolarHBondContact O-CD2 3.43Å; E629-Y632 PolarHBondContact O-N 3.46Å; Y632-N640 PolarHBondContact O-N 3.29Å; Y632-K643 HydrophobicContact CD1-CB 4Å; Y632-K643 HydrophobicContact CD1-CD 4.3Å; Y632-K643 HydrophobicContact CE1-CB 4.33Å |
| 633 | V | 84 | Confident | 75.5 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -127 | 135.7 | -161.5 | 179 | 0 | 0 | 0 | 0 | 108.3 | I575 E629 R637 K638 L639 | I575-V633 HydrophobicContact CG2-CG2 4.44Å; E629-V633 WeakPolarHBondContact O-CB 3.32Å; E629-V633 WeakPolarHBondContact O-CG2 3.14Å; V633-R637 HydrophobicContact CG1-CB 3.82Å; V633-R637 HydrophobicContact CG1-CG 3.94Å; V633-K638 WeakPolarHBondContact CA-O 3.49Å; V633-L639 HydrophobicContact CG2-CD2 3.74Å |
| 634 | D | 81 | Confident | 76 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | trans | -80 | 177.2 | 173.9 | 71.5 | 10.6 | 0 | 0 | 0 | 112.3 | Y636 R637 K638 | D634-Y636 PolarHBondContact O-N 2.89Å; D634-Y636 WeakPolarHBondContact OD1-CA 3.46Å; D634-Y636 PolarHBondContact OD1-N 3.44Å; D634-R637 PolarHBondContact O-N 3.3Å; D634-R637 PolarHBondContact OD1-N 3.03Å; D634-R637 VanDerWaalsContact OD1-N 3.07Å; D634-K638 PolarHBondContact N-O 3.36Å; D634-K638 WeakPolarHBondContact OD1-CB 3.5Å; D634-K638 PolarHBondContact OD1-N 3.06Å; D634-K638 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 635 | N | 77.4 | Confident | 76.2 | Confident | 113 Ų | 113 | 70.8 Ų | 70.8 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.8 | 178.9 | -69.2 | 2.9 | 0 | 0 | 0 | 113.1 | R637 A892 | N635-R637 VanDerWaalsContact C-N 3.34Å; N635-A892 WeakPolarHBondContact O-CB 3.47Å |
| 636 | Y | 82.1 | Confident | 77.1 | Confident | 117 Ų | 117 | 70.5 Ų | 70.5 | 46% | 0.459 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6.9 | -179.9 | -67.7 | -72.2 | 0 | 0 | 0 | 114.1 | D634 K638 Q889 | D634-Y636 PolarHBondContact O-N 2.89Å; D634-Y636 WeakPolarHBondContact OD1-CA 3.46Å; D634-Y636 PolarHBondContact OD1-N 3.44Å; Y636-K638 VanDerWaalsContact C-N 3.33Å; Y636-K638 PolarHBondContact O-N 2.9Å; Y636-Q889 HydrophobicContact CD1-CB 4.47Å; Y636-Q889 HydrophobicContact CD1-CG 3.88Å; Y636-Q889 HydrophobicContact CE1-CG 4.36Å |
| 637 | R | 85 | Confident | 78 | Confident | 71 Ų | 71 | 67 Ų | 67 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | trans | 64.4 | 22.3 | -171.9 | -60.3 | -159.6 | 178.8 | -165.8 | 4.6 | 117.1 | E573 P574 G576 Y577 V633 D634 N635 W884 C888 | E573-R637 IonicContact OE1-CZ 3.55Å; E573-R637 VanDerWaalsContact OE1-CZ 3.29Å; E573-R637 IonicContact OE1-NH1 2.65Å; E573-R637 PolarHBondContact OE1-NH1 2.83Å; E573-R637 IonicContact OE1-NH2 3.16Å; E573-R637 PolarHBondContact OE1-NH2 2.87Å; P574-R637 PolarHBondContact O-NH1 2.95Å; G576-R637 CarbonylContact C-O 3.59Å; G576-R637 WeakPolarHBondContact CA-O 3.39Å; Y577-R637 WeakPolarHBondContact CD1-O 3.27Å; Y577-R637 PolarHBondContact N-O 3.24Å; Y577-R637 VanDerWaalsContact N-O 3.13Å; V633-R637 HydrophobicContact CG1-CB 3.82Å; V633-R637 HydrophobicContact CG1-CG 3.94Å; D634-R637 PolarHBondContact O-N 3.3Å; D634-R637 PolarHBondContact OD1-N 3.03Å; D634-R637 VanDerWaalsContact OD1-N 3.07Å; N635-R637 VanDerWaalsContact C-N 3.34Å; R637-W884 HydrophobicContact CB-CH2 3.91Å; R637-W884 HydrophobicContact CB-CZ2 4.21Å; R637-C888 HydrophobicContact CB-CB 4.4Å; R637-C888 HydrophobicContact CG-CB 4.34Å | ||
| 638 | K | 86.8 | Confident | 79.2 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -77.5 | 135.7 | 168.4 | -166.4 | -174.2 | 172.7 | -166.8 | 0 | 109.6 | Y577 V633 D634 Y636 E641 | Y577-K638 HydrophobicContact CD2-CG 4.44Å; Y577-K638 HydrophobicContact CE1-CB 4Å; Y577-K638 HydrophobicContact CE2-CB 4.31Å; Y577-K638 HydrophobicContact CE2-CD 4.5Å; Y577-K638 HydrophobicContact CE2-CG 3.97Å; V633-K638 WeakPolarHBondContact CA-O 3.49Å; D634-K638 PolarHBondContact N-O 3.36Å; D634-K638 WeakPolarHBondContact OD1-CB 3.5Å; D634-K638 PolarHBondContact OD1-N 3.06Å; D634-K638 WeakPolarHBondContact OD2-CB 3.39Å; Y636-K638 VanDerWaalsContact C-N 3.33Å; Y636-K638 PolarHBondContact O-N 2.9Å; K638-E641 WeakPolarHBondContact CE-OE1 3.43Å; K638-E641 IonicContact NZ-OE1 2.69Å; K638-E641 PolarHBondContact NZ-OE1 3.27Å |
| 639 | L | 86.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 132.5 | 174.7 | -72.7 | 163.2 | 0 | 0 | 0 | 110.1 | L563 Y577 V578 I624 V633 E641 I644 | L563-L639 HydrophobicContact CB-CD1 4.2Å; L563-L639 HydrophobicContact CD2-CD1 4.18Å; Y577-L639 PolarHBondContact O-N 3.13Å; V578-L639 HydrophobicContact CG2-CB 4.08Å; V578-L639 HydrophobicContact CG2-CD1 3.82Å; I624-L639 HydrophobicContact CD1-CD2 4.05Å; V633-L639 HydrophobicContact CG2-CD2 3.74Å; L639-E641 PolarHBondContact O-N 3.08Å; L639-I644 HydrophobicContact CB-CD1 4.06Å; L639-I644 HydrophobicContact CB-CG2 4.26Å; L639-I644 HydrophobicContact CD2-CG2 4.48Å |
| 640 | N | 83.8 | Confident | 81.2 | Confident | 68 Ų | 68 | 59 Ų | 59 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -69.5 | 114.3 | -179.3 | -174.6 | -19.7 | 0 | 0 | 0 | 110.7 | Y632 D642 K643 I644 | Y632-N640 PolarHBondContact O-N 3.29Å; N640-D642 PolarHBondContact O-N 3.39Å; N640-D642 PolarHBondContact OD1-N 3.22Å; N640-K643 HydrophobicContact CB-CB 4.19Å; N640-K643 HydrophobicContact CB-CD 4.37Å; N640-K643 HydrophobicContact CB-CG 4.2Å; N640-K643 PolarHBondContact O-N 2.68Å; N640-I644 WeakPolarHBondContact O-CG1 3.39Å; N640-I644 PolarHBondContact O-N 3.08Å; N640-I644 VanDerWaalsContact O-N 3.1Å | ||
| 641 | E | 81 | Confident | 81.9 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.2 | -173.7 | -65.7 | 175.3 | -159.5 | 0 | 0 | 113.3 | K638 L639 N645 L646 | K638-E641 WeakPolarHBondContact CE-OE1 3.43Å; K638-E641 IonicContact NZ-OE1 2.69Å; K638-E641 PolarHBondContact NZ-OE1 3.27Å; L639-E641 PolarHBondContact O-N 3.08Å; E641-N645 PolarHBondContact O-N 3.48Å; E641-L646 HydrophobicContact CB-CB 4.45Å; E641-L646 HydrophobicContact CG-CD2 4.02Å; E641-L646 PolarHBondContact O-N 3.3Å; E641-L646 VanDerWaalsContact O-N 3.15Å |
| 642 | D | 78 | Confident | 82 | Confident | 109 Ų | 109 | 55.5 Ų | 55.5 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -39.7 | 177.8 | -68.4 | -30.1 | 0 | 0 | 0 | 112 | N640 I644 N645 H697 | N640-D642 PolarHBondContact O-N 3.39Å; N640-D642 PolarHBondContact OD1-N 3.22Å; D642-I644 VanDerWaalsContact C-N 3.33Å; D642-N645 PolarHBondContact O-N 3.36Å; D642-H697 IonicContact OD1-CE1 2.74Å; D642-H697 IonicContact OD1-NE2 2.66Å |
| 643 | K | 79.1 | Confident | 81.8 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -29.5 | -179.4 | -68.9 | -169.2 | 175.1 | -172.2 | 0 | 112.4 | D631 Y632 N640 | D631-K643 VanDerWaalsContact O-CD 3.27Å; D631-K643 WeakPolarHBondContact O-CD 3.49Å; D631-K643 WeakPolarHBondContact O-CE 3.25Å; D631-K643 PolarHBondContact O-NZ 3.09Å; Y632-K643 HydrophobicContact CD1-CB 4Å; Y632-K643 HydrophobicContact CD1-CD 4.3Å; Y632-K643 HydrophobicContact CE1-CB 4.33Å; N640-K643 HydrophobicContact CB-CB 4.19Å; N640-K643 HydrophobicContact CB-CD 4.37Å; N640-K643 HydrophobicContact CB-CG 4.2Å; N640-K643 PolarHBondContact O-N 2.68Å |
| 644 | I | 82.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.4 | 177.6 | 69.1 | 175.7 | 0 | 0 | 0 | 113.6 | V578 Y618 E619 L639 N640 D642 L646 | V578-I644 HydrophobicContact CG1-CD1 4.47Å; V578-I644 HydrophobicContact CG2-CD1 3.57Å; Y618-I644 HydrophobicContact CD2-CD1 4.24Å; Y618-I644 HydrophobicContact CG-CD1 4.26Å; E619-I644 PolarHBondContact N-O 3.48Å; E619-I644 VanDerWaalsContact O-CA 3.25Å; E619-I644 WeakPolarHBondContact O-CA 3.4Å; E619-I644 VanDerWaalsContact O-CB 3.31Å; E619-I644 WeakPolarHBondContact O-CB 3.15Å; L639-I644 HydrophobicContact CB-CD1 4.06Å; L639-I644 HydrophobicContact CB-CG2 4.26Å; L639-I644 HydrophobicContact CD2-CG2 4.48Å; N640-I644 WeakPolarHBondContact O-CG1 3.39Å; N640-I644 PolarHBondContact O-N 3.08Å; N640-I644 VanDerWaalsContact O-N 3.1Å; D642-I644 VanDerWaalsContact C-N 3.33Å; I644-L646 HydrophobicContact CD1-CB 4.36Å; I644-L646 HydrophobicContact CG1-CB 4.24Å; I644-L646 PolarHBondContact O-N 3.33Å |
| 645 | N | 79.8 | Confident | 81.3 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 52.7 | -177.4 | -66.4 | -38 | 0 | 0 | 0 | 113.4 | E619 E641 D642 I647 | E619-N645 HydrophobicContact CB-CB 4.47Å; E619-N645 HydrophobicContact CG-CB 4.16Å; E619-N645 PolarHBondContact OE2-ND2 3.19Å; E641-N645 PolarHBondContact O-N 3.48Å; D642-N645 PolarHBondContact O-N 3.36Å; N645-I647 PolarHBondContact O-N 3.04Å |
| 646 | L | 84.7 | Confident | 81.1 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | trans | -68.5 | 121.8 | 179.4 | 180 | 66.6 | 0 | 0 | 0 | 111.5 | V578 Q617 Y618 E641 I644 H697 | V578-L646 HydrophobicContact CG1-CD1 4.05Å; V578-L646 HydrophobicContact CG1-CD2 3.85Å; Q617-L646 WeakPolarHBondContact O-CA 3.47Å; Y618-L646 HydrophobicContact CD1-CD1 4.13Å; Y618-L646 HydrophobicContact CG-CD1 4.43Å; E641-L646 HydrophobicContact CB-CB 4.45Å; E641-L646 HydrophobicContact CG-CD2 4.02Å; E641-L646 PolarHBondContact O-N 3.3Å; E641-L646 VanDerWaalsContact O-N 3.15Å; I644-L646 HydrophobicContact CD1-CB 4.36Å; I644-L646 HydrophobicContact CG1-CB 4.24Å; I644-L646 PolarHBondContact O-N 3.33Å; L646-H697 PolarHBondContact O-ND1 3.43Å | ||
| 647 | I | 82.6 | Confident | 80.7 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.3 | -178.7 | -59.1 | 166.4 | 0 | 0 | 0 | 110.2 | Y616 Q617 N645 W649 K694 L699 | Y616-I647 CarbonylContact C-O 3.59Å; Y616-I647 WeakPolarHBondContact CA-O 3.48Å; Q617-I647 PolarHBondContact N-O 3.01Å; Q617-I647 PolarHBondContact O-N 3.16Å; N645-I647 PolarHBondContact O-N 3.04Å; I647-W649 HydrophobicContact CG2-CD2 4.22Å; I647-W649 HydrophobicContact CG2-CG 4.49Å; I647-W649 HydrophobicContact CG2-CZ2 4.01Å; I647-K694 HydrophobicContact CD1-CB 4.4Å; I647-K694 HydrophobicContact CD1-CD 4.37Å; I647-K694 HydrophobicContact CD1-CG 3.9Å; I647-L699 HydrophobicContact CG2-CD1 4.18Å |
| 648 | K | 84.8 | Confident | 80.3 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117 | 171.1 | -176.1 | -174.2 | -177.2 | 175.5 | 0 | 111 | A614 I615 Y616 N650 H697 Q698 L699 | A614-K648 HydrophobicContact CB-CG 4.41Å; I615-K648 CarbonylContact O-C 3.54Å; I615-K648 WeakPolarHBondContact O-CA 3.49Å; Y616-K648 HydrophobicContact CD1-CB 3.98Å; Y616-K648 HydrophobicContact CD1-CG 4.1Å; Y616-K648 HydrophobicContact CE1-CB 3.92Å; Y616-K648 HydrophobicContact CE1-CD 3.68Å; Y616-K648 HydrophobicContact CE1-CG 3.76Å; Y616-K648 HydrophobicContact CE2-CD 4.49Å; Y616-K648 HydrophobicContact CE2-CG 4.45Å; Y616-K648 WeakPolarHBondContact OH-CE 3.47Å; Y616-K648 PolarHBondContact OH-NZ 2.81Å; K648-N650 VanDerWaalsContact CE-OD1 3.25Å; K648-N650 WeakPolarHBondContact CE-OD1 3.38Å; K648-H697 PolarHBondContact N-O 3.3Å; K648-Q698 HydrophobicContact CB-CG 4.27Å; K648-Q698 HydrophobicContact CD-CG 4.36Å; K648-Q698 WeakPolarHBondContact O-CA 3.18Å; K648-L699 PolarHBondContact O-N 2.92Å |
| 649 | W | 82.9 | Confident | 79.9 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.3 | 173.7 | -58.4 | 99.5 | 0 | 0 | 0 | 110.6 | A614 I615 I647 I689 L699 I701 | A614-W649 CarbonylContact C-O 3.58Å; A614-W649 WeakPolarHBondContact CA-O 2.88Å; A614-W649 WeakPolarHBondContact CB-O 3.41Å; I615-W649 HydrophobicContact CB-CB 4.32Å; I615-W649 PolarHBondContact N-O 3.4Å; I615-W649 PolarHBondContact O-N 3.1Å; I647-W649 HydrophobicContact CG2-CD2 4.22Å; I647-W649 HydrophobicContact CG2-CG 4.49Å; I647-W649 HydrophobicContact CG2-CZ2 4.01Å; W649-I689 HydrophobicContact CH2-CG2 3.85Å; W649-I689 HydrophobicContact CZ2-CG1 4.41Å; W649-I689 HydrophobicContact CZ2-CG2 3.66Å; W649-L699 CarbonylContact C-O 3.57Å; W649-L699 WeakPolarHBondContact CA-O 3.46Å; W649-L699 HydrophobicContact CE3-CB 3.69Å; W649-L699 HydrophobicContact CE3-CD1 4.31Å; W649-L699 HydrophobicContact CH2-CB 4.46Å; W649-L699 HydrophobicContact CH2-CD1 3.59Å; W649-L699 HydrophobicContact CZ2-CD1 4.24Å; W649-L699 HydrophobicContact CZ3-CB 3.66Å; W649-L699 HydrophobicContact CZ3-CD1 3.64Å; W649-L699 HydrophobicContact CZ3-CG 4.28Å; W649-I701 HydrophobicContact CE3-CB 4.09Å; W649-I701 HydrophobicContact CE3-CD1 4.29Å; W649-I701 HydrophobicContact CE3-CG1 4.32Å |
| 650 | N | 84.1 | Confident | 79.3 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.2 | 176.6 | -65.9 | -40.3 | 0 | 0 | 0 | 110.4 | K648 L699 H700 I701 | K648-N650 VanDerWaalsContact CE-OD1 3.25Å; K648-N650 WeakPolarHBondContact CE-OD1 3.38Å; N650-L699 PolarHBondContact N-O 2.63Å; N650-H700 WeakPolarHBondContact CB-CE1 3.18Å; N650-H700 WeakPolarHBondContact CB-ND1 3.5Å; N650-H700 WeakPolarHBondContact O-CA 3.46Å; N650-H700 PolarHBondContact O-ND1 2.94Å; N650-H700 VanDerWaalsContact O-ND1 3.14Å; N650-I701 PolarHBondContact O-N 3.11Å |
| 651 | F | 82.5 | Confident | 78.7 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 147.2 | 173.1 | -66.9 | -65.1 | 0 | 0 | 0 | 111.5 | E613 I615 R653 K655 V658 A676 F687 I701 | E613-F651 PolarHBondContact O-N 3.17Å; I615-F651 HydrophobicContact CD1-CE1 4.2Å; I615-F651 HydrophobicContact CD1-CE2 3.5Å; I615-F651 VanDerWaalsContact CD1-CE2 3.5Å; I615-F651 HydrophobicContact CD1-CZ 3.23Å; I615-F651 HydrophobicContact CG1-CE2 3.66Å; I615-F651 HydrophobicContact CG1-CZ 3.96Å; F651-R653 VanDerWaalsContact C-N 3.25Å; F651-R653 WeakPolarHBondContact CB-O 3.26Å; F651-K655 HydrophobicContact CB-CG 4.44Å; F651-K655 HydrophobicContact CD1-CG 3.97Å; F651-K655 HydrophobicContact CD2-CB 4.31Å; F651-K655 HydrophobicContact CD2-CG 3.8Å; F651-K655 HydrophobicContact CE1-CG 4.02Å; F651-K655 HydrophobicContact CE2-CB 4.08Å; F651-K655 HydrophobicContact CE2-CG 3.83Å; F651-K655 HydrophobicContact CG-CG 3.84Å; F651-K655 HydrophobicContact CZ-CB 4.37Å; F651-K655 HydrophobicContact CZ-CG 3.9Å; F651-V658 HydrophobicContact CE2-CG2 4.1Å; F651-V658 HydrophobicContact CZ-CG2 4.1Å; F651-A676 HydrophobicContact CZ-CB 4.28Å; F651-F687 HydrophobicContact CD1-CE1 4.17Å; F651-F687 HydrophobicContact CD1-CZ 4.02Å; F651-F687 HydrophobicContact CE1-CE1 4.17Å; F651-F687 HydrophobicContact CE1-CE2 4.04Å; F651-F687 AromaticContact CE1-CZ 3.83Å; F651-F687 HydrophobicContact CE1-CZ 3.83Å; F651-I701 HydrophobicContact CD1-CG2 3.53Å; F651-I701 HydrophobicContact CE1-CG2 3.77Å |
| 652 | H | 74.3 | Confident | 77.8 | Confident | 133 Ų | 133 | 37 Ų | 37 | 62% | 0.616 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -22.5 | 169.1 | -74.4 | -8.4 | 0 | 0 | 0 | 113.1 | H700 | H652-H700 AromaticContact CE1-CG 3.97Å; H652-H700 AromaticContact CE1-ND1 3.95Å; H652-H700 AromaticContact ND1-ND1 3.73Å |
| 653 | R | 75.5 | Confident | 77 | Confident | 123 Ų | 123 | 33.7 Ų | 33.7 | 46% | 0.464 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146 | -179.7 | -63 | -178 | -174.3 | 172.1 | 0.4 | 109.8 | F651 K655 Y681 | F651-R653 VanDerWaalsContact C-N 3.25Å; F651-R653 WeakPolarHBondContact CB-O 3.26Å; R653-K655 VanDerWaalsContact O-CE 3.23Å; R653-K655 WeakPolarHBondContact O-CE 3.49Å; R653-Y681 VanDerWaalsContact NH1-CE2 3.35Å |
| 654 | P | 74.2 | Confident | 75.7 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 29% | 0.286 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137 | -174.7 | 34 | -38.4 | 0 | 0 | 0 | 111.6 | T611 A612 E613 S679 | T611-P654 VanDerWaalsContact OG1-C 3.28Å; T611-P654 VanDerWaalsContact OG1-CB 3.32Å; T611-P654 WeakPolarHBondContact OG1-CB 3.45Å; T611-P654 PolarHBondContact OG1-O 2.82Å; A612-P654 CarbonylContact O-C 3.59Å; A612-P654 WeakPolarHBondContact O-CA 3.32Å; E613-P654 HydrophobicContact CG-CB 4.44Å; P654-S679 PolarHBondContact O-OG 2.87Å |
| 655 | K | 79.7 | Confident | 74.1 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.7 | -170.4 | -56.9 | -57.9 | 170.7 | -173.9 | 0 | 112.4 | T611 A612 F651 R653 V658 A676 A677 D678 E685 | T611-K655 VanDerWaalsContact CB-O 3.3Å; T611-K655 WeakPolarHBondContact CB-O 3.23Å; T611-K655 PolarHBondContact OG1-N 3.3Å; A612-K655 WeakPolarHBondContact CB-O 3.38Å; A612-K655 PolarHBondContact N-O 2.86Å; A612-K655 PolarHBondContact O-N 2.84Å; F651-K655 HydrophobicContact CB-CG 4.44Å; F651-K655 HydrophobicContact CD1-CG 3.97Å; F651-K655 HydrophobicContact CD2-CB 4.31Å; F651-K655 HydrophobicContact CD2-CG 3.8Å; F651-K655 HydrophobicContact CE1-CG 4.02Å; F651-K655 HydrophobicContact CE2-CB 4.08Å; F651-K655 HydrophobicContact CE2-CG 3.83Å; F651-K655 HydrophobicContact CG-CG 3.84Å; F651-K655 HydrophobicContact CZ-CB 4.37Å; F651-K655 HydrophobicContact CZ-CG 3.9Å; R653-K655 VanDerWaalsContact O-CE 3.23Å; R653-K655 WeakPolarHBondContact O-CE 3.49Å; K655-V658 HydrophobicContact CB-CG2 4.3Å; K655-A676 HydrophobicContact CB-CB 4.04Å; K655-A676 HydrophobicContact CD-CB 4.25Å; K655-A676 HydrophobicContact CG-CB 3.96Å; K655-A677 WeakPolarHBondContact CA-O 3.25Å; K655-D678 IonicContact NZ-OD2 3.38Å; K655-D678 PolarHBondContact NZ-OD2 3.43Å; K655-E685 WeakPolarHBondContact CE-OE2 3.46Å; K655-E685 IonicContact NZ-OE1 2.75Å; K655-E685 PolarHBondContact NZ-OE1 3.4Å; K655-E685 IonicContact NZ-OE2 3.65Å; K655-E685 PolarHBondContact NZ-OE2 2.79Å |
| 656 | V | 73.3 | Confident | 72.4 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -46.2 | -171.8 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | T611 A677 S679 K714 I716 | T611-V656 HydrophobicContact CG2-CB 4.49Å; T611-V656 HydrophobicContact CG2-CG2 4.08Å; V656-A677 HydrophobicContact CB-CB 4.31Å; V656-A677 PolarHBondContact N-O 3.03Å; V656-S679 VanDerWaalsContact CG2-CB 3.48Å; V656-K714 VanDerWaalsContact CG1-O 3.23Å; V656-K714 WeakPolarHBondContact CG1-O 3.34Å; V656-I716 HydrophobicContact CG1-CB 4.47Å; V656-I716 VanDerWaalsContact CG1-N 3.26Å |
| 657 | G | 73.7 | Confident | 70.5 | Confident | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A676 A677 I716 F718 | G657-A676 CarbonylContact O-C 3.56Å; G657-A676 WeakPolarHBondContact O-CA 3.4Å; G657-A677 PolarHBondContact O-N 3.48Å; G657-I716 VanDerWaalsContact CA-O 3.23Å; G657-I716 WeakPolarHBondContact CA-O 3.36Å; G657-F718 WeakPolarHBondContact O-CE2 3.26Å |
| 658 | V | 77 | Confident | 68.6 | Low | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.085 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134.8 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | N586 A603 I615 F651 K655 I674 I675 A676 | N586-V658 PolarHBondContact ND2-O 2.94Å; A603-V658 HydrophobicContact CB-CG2 4.39Å; I615-V658 HydrophobicContact CD1-CB 4.49Å; I615-V658 HydrophobicContact CD1-CG1 3.49Å; I615-V658 VanDerWaalsContact CD1-CG1 3.49Å; I615-V658 HydrophobicContact CD1-CG2 4.31Å; I615-V658 HydrophobicContact CG1-CG1 4.31Å; F651-V658 HydrophobicContact CE2-CG2 4.1Å; F651-V658 HydrophobicContact CZ-CG2 4.1Å; K655-V658 HydrophobicContact CB-CG2 4.3Å; V658-I674 HydrophobicContact CG1-CG2 3.75Å; V658-I675 CarbonylContact C-O 3.57Å; V658-I675 WeakPolarHBondContact CA-O 3.38Å; V658-A676 HydrophobicContact CG2-CB 4.16Å |
| 659 | C | 77.8 | Confident | 66.5 | Low | 10 Ų | 10 | 43.6 Ų | 43.6 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147 | 172 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | I675 F718 L727 | C659-I675 PolarHBondContact N-O 3.31Å; C659-I675 PolarHBondContact O-N 2.86Å; C659-F718 HydrophobicContact CB-CB 3.66Å; C659-F718 HydrophobicContact CB-CG 4.42Å; C659-L727 HydrophobicContact CB-CD1 4.26Å |
| 660 | Y | 73.3 | Confident | 64.8 | Low | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.4 | 178.4 | 175.2 | -92.7 | 0 | 0 | 0 | 111.6 | I590 F599 L601 P662 P672 I674 I689 | I590-Y660 HydrophobicContact CD1-CD1 3.66Å; I590-Y660 HydrophobicContact CD1-CG 4.19Å; I590-Y660 WeakPolarHBondContact CD1-O 3.48Å; F599-Y660 HydrophobicContact CD2-CE1 4.41Å; F599-Y660 HydrophobicContact CG-CE1 4.4Å; L601-Y660 HydrophobicContact CD1-CD1 4.03Å; L601-Y660 HydrophobicContact CD1-CD2 4.07Å; L601-Y660 HydrophobicContact CD1-CG 3.54Å; L601-Y660 HydrophobicContact CD2-CD2 4.27Å; Y660-P662 HydrophobicContact CE1-CB 3.99Å; Y660-P672 HydrophobicContact CE2-CB 3.85Å; Y660-P672 WeakPolarHBondContact OH-CB 3.43Å; Y660-I674 HydrophobicContact CD2-CG1 3.95Å; Y660-I689 HydrophobicContact CD2-CD1 4.02Å; Y660-I689 HydrophobicContact CE2-CD1 3.47Å; Y660-I689 VanDerWaalsContact CE2-CD1 3.47Å |
| 661 | W | 72.1 | Confident | 63.5 | Low | 16 Ų | 16 | 44.3 Ų | 44.3 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 100.3 | -176.3 | -144.5 | -85 | 0 | 0 | 0 | 109.3 | P672 L673 I675 R720 I741 | W661-P672 CarbonylContact O-C 3.59Å; W661-P672 VanDerWaalsContact O-CA 3.3Å; W661-P672 WeakPolarHBondContact O-CA 3.41Å; W661-L673 WeakPolarHBondContact CA-O 3.36Å; W661-L673 HydrophobicContact CB-CB 3.85Å; W661-L673 WeakPolarHBondContact CB-O 3.33Å; W661-L673 PolarHBondContact N-O 2.96Å; W661-L673 PolarHBondContact O-N 3.44Å; W661-I675 HydrophobicContact CD2-CD1 4.25Å; W661-I675 HydrophobicContact CE3-CD1 3.62Å; W661-I675 HydrophobicContact CZ3-CD1 4.13Å; W661-R720 HydrophobicContact CE3-CG 4.29Å; W661-R720 HydrophobicContact CH2-CG 3.93Å; W661-R720 HydrophobicContact CZ3-CB 4.34Å; W661-R720 HydrophobicContact CZ3-CG 3.72Å; W661-I741 HydrophobicContact CE3-CD1 3.96Å; W661-I741 HydrophobicContact CH2-CB 4.36Å; W661-I741 HydrophobicContact CH2-CD1 3.5Å; W661-I741 HydrophobicContact CZ2-CB 4.42Å; W661-I741 HydrophobicContact CZ2-CD1 4.26Å; W661-I741 HydrophobicContact CZ3-CD1 3.33Å |
| 662 | P | 62.8 | Low | 62.8 | Low | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -61.9 | 153.8 | 179.4 | 23.6 | -35.2 | 0 | 0 | 0 | 113.6 | I590 Y660 N664 R720 | I590-P662 HydrophobicContact CG2-CG 3.95Å; Y660-P662 HydrophobicContact CE1-CB 3.99Å; P662-N664 PolarHBondContact O-N 3.38Å; P662-R720 VanDerWaalsContact CD-NH1 3.28Å | ||
| 663 | S | 59.6 | Low | 62.7 | Low | 38 Ų | 38 | 39 Ų | 39 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39 | -177.6 | 179.7 | 0 | 0 | 0 | 0 | 114.4 | T670 | S663-T670 WeakPolarHBondContact CA-O 3.46Å; S663-T670 VanDerWaalsContact CB-O 3.24Å; S663-T670 WeakPolarHBondContact CB-O 3.27Å; S663-T670 PolarHBondContact OG-O 3.06Å |
| 664 | N | 53.1 | Low | 62.8 | Low | 67 Ų | 67 | 33.2 Ų | 33.2 | 36% | 0.358 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 5.8 | -163.7 | -78.8 | -5.1 | 0 | 0 | 0 | 116.3 | K593 D594 P662 | K593-N664 HydrophobicContact CB-CB 4.29Å; K593-N664 VanDerWaalsContact CD-O 3.27Å; K593-N664 WeakPolarHBondContact CD-O 3.07Å; K593-N664 PolarHBondContact NZ-O 3.36Å; D594-N664 PolarHBondContact OD2-ND2 3Å; P662-N664 PolarHBondContact O-N 3.38Å |
| 665 | D | 47.6 | Very low | 63.1 | Low | 40 Ų | 40 | 31.1 Ų | 31.1 | 21% | 0.214 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -79.7 | -24.8 | -171.4 | -93.6 | -31.1 | 0 | 0 | 0 | 115.7 | K593 R720 | K593-D665 WeakPolarHBondContact CE-O 3.36Å; K593-D665 WeakPolarHBondContact CE-OD1 3.21Å; K593-D665 WeakPolarHBondContact CG-OD1 3.34Å; K593-D665 VanDerWaalsContact NZ-C 3.27Å; K593-D665 PolarHBondContact NZ-O 3.48Å; D665-R720 VanDerWaalsContact CB-NH2 3.33Å; D665-R720 VanDerWaalsContact CG-NH2 3.34Å; D665-R720 IonicContact OD2-CZ 3.65Å; D665-R720 IonicContact OD2-NH1 3.67Å; D665-R720 PolarHBondContact OD2-NH1 2.73Å; D665-R720 IonicContact OD2-NH2 3.67Å; D665-R720 PolarHBondContact OD2-NH2 2.73Å |
| 666 | V | 45.2 | Very low | 63.3 | Low | 41 Ų | 41 | 30.9 Ų | 30.9 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -147.2 | -33 | -179.8 | -176 | 0 | 0 | 0 | 0 | 114.2 | N725 | V666-N725 VanDerWaalsContact CG2-OD1 3.29Å; V666-N725 WeakPolarHBondContact CG2-OD1 3.24Å |
| 667 | Y | 44.9 | Very low | 63.6 | Low | 28 Ų | 28 | 30.1 Ų | 30.1 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | trans | -121.9 | 111.3 | -172.7 | -49.9 | -74.2 | 0 | 0 | 0 | 110 | S669 T670 S798 F800 | Y667-S669 PolarHBondContact O-N 3.1Å; Y667-T670 PolarHBondContact O-N 3.28Å; Y667-T670 PolarHBondContact O-OG1 3.38Å; Y667-S798 VanDerWaalsContact CD1-O 3.27Å; Y667-S798 WeakPolarHBondContact CD1-O 3.44Å; Y667-S798 WeakPolarHBondContact CE1-O 3.14Å; Y667-F800 HydrophobicContact CD1-CB 4.39Å; Y667-F800 AromaticContact CD1-CD2 3.5Å; Y667-F800 HydrophobicContact CD1-CD2 3.5Å; Y667-F800 HydrophobicContact CD1-CE2 4.28Å; Y667-F800 HydrophobicContact CD1-CG 4.41Å; Y667-F800 AromaticContact CD2-CD2 3.65Å; Y667-F800 HydrophobicContact CD2-CD2 3.65Å; Y667-F800 AromaticContact CD2-CE2 3.88Å; Y667-F800 HydrophobicContact CD2-CE2 3.88Å; Y667-F800 AromaticContact CE1-CD2 3.46Å; Y667-F800 HydrophobicContact CE1-CD2 3.46Å; Y667-F800 VanDerWaalsContact CE1-CD2 3.46Å; Y667-F800 AromaticContact CE1-CE2 3.87Å; Y667-F800 HydrophobicContact CE1-CE2 3.87Å; Y667-F800 AromaticContact CE2-CD2 3.65Å; Y667-F800 HydrophobicContact CE2-CD2 3.65Å; Y667-F800 AromaticContact CE2-CE2 3.46Å; Y667-F800 HydrophobicContact CE2-CE2 3.46Å; Y667-F800 VanDerWaalsContact CE2-CE2 3.46Å; Y667-F800 HydrophobicContact CG-CB 4.4Å; Y667-F800 AromaticContact CG-CD2 3.58Å; Y667-F800 HydrophobicContact CG-CD2 3.58Å; Y667-F800 HydrophobicContact CG-CE2 4.27Å; Y667-F800 HydrophobicContact CG-CG 4.36Å; Y667-F800 AromaticContact CZ-CD2 3.54Å; Y667-F800 AromaticContact CZ-CE2 3.43Å; Y667-F800 VanDerWaalsContact CZ-CE2 3.43Å | ||
| 668 | E | 43 | Very low | 63.9 | Low | 200 Ų | 200 | 30 Ų | 30 | 94% | 0.935 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -0.6 | -176.8 | -70.3 | 178 | 157.7 | 0 | 0 | 115.5 | ||
| 669 | S | 39.3 | Very low | 63.4 | Low | 65 Ų | 65 | 31.1 Ų | 31.1 | 46% | 0.455 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 13.4 | -177.3 | 83.8 | 0 | 0 | 0 | 0 | 116.9 | Y667 | Y667-S669 PolarHBondContact O-N 3.1Š|
| 670 | T | 48.2 | Very low | 62.8 | Low | 31 Ų | 31 | 37.2 Ų | 37.2 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 130 | 179.2 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | S663 Y667 F800 | S663-T670 WeakPolarHBondContact CA-O 3.46Å; S663-T670 VanDerWaalsContact CB-O 3.24Å; S663-T670 WeakPolarHBondContact CB-O 3.27Å; S663-T670 PolarHBondContact OG-O 3.06Å; Y667-T670 PolarHBondContact O-N 3.28Å; Y667-T670 PolarHBondContact O-OG1 3.38Å; T670-F800 HydrophobicContact CG2-CB 3.83Å; T670-F800 HydrophobicContact CG2-CD1 4.22Å; T670-F800 HydrophobicContact CG2-CD2 4.47Å; T670-F800 HydrophobicContact CG2-CG 3.94Å |
| 671 | S | 57.1 | Low | 61.9 | Low | 25 Ų | 25 | 43.6 Ų | 43.6 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 151.3 | 166.2 | 39.7 | 0 | 0 | 0 | 0 | 111.9 | C688 I689 | S671-C688 PolarHBondContact OG-SG 3.15Å; S671-I689 VanDerWaalsContact CB-O 3.3Å; S671-I689 WeakPolarHBondContact CB-O 3.45Å |
| 672 | P | 66.3 | Low | 61.7 | Low | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 140.7 | 174.3 | 16 | -17.8 | 0 | 0 | 0 | 111 | Y660 W661 I689 | Y660-P672 HydrophobicContact CE2-CB 3.85Å; Y660-P672 WeakPolarHBondContact OH-CB 3.43Å; W661-P672 CarbonylContact O-C 3.59Å; W661-P672 VanDerWaalsContact O-CA 3.3Å; W661-P672 WeakPolarHBondContact O-CA 3.41Å; P672-I689 HydrophobicContact CB-CD1 4.31Å; P672-I689 HydrophobicContact CG-CB 4.06Å; P672-I689 HydrophobicContact CG-CD1 4.45Å; P672-I689 HydrophobicContact CG-CG2 4.39Å; P672-I689 PolarHBondContact O-N 2.82Å |
| 673 | L | 73 | Confident | 62.3 | Low | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.8 | -179.1 | -47.6 | 167.8 | 0 | 0 | 0 | 110.8 | W661 I686 F687 C688 | W661-L673 WeakPolarHBondContact CA-O 3.36Å; W661-L673 HydrophobicContact CB-CB 3.85Å; W661-L673 WeakPolarHBondContact CB-O 3.33Å; W661-L673 PolarHBondContact N-O 2.96Å; W661-L673 PolarHBondContact O-N 3.44Å; L673-I686 HydrophobicContact CB-CG2 4.06Å; L673-I686 HydrophobicContact CD1-CG2 4.13Å; L673-I686 HydrophobicContact CD2-CG2 3.98Å; L673-I686 HydrophobicContact CG-CG2 4.29Å; L673-F687 CarbonylContact C-O 3.48Å; L673-F687 WeakPolarHBondContact CA-O 3.21Å; L673-C688 HydrophobicContact CD2-CB 4.3Å; L673-C688 WeakPolarHBondContact CD2-SG 3.31Å |
| 674 | I | 78 | Confident | 63.2 | Low | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.9 | 159.8 | -68.7 | 164.1 | 0 | 0 | 0 | 107.2 | I615 V658 Y660 I686 F687 I689 I701 | I615-I674 HydrophobicContact CD1-CD1 4.19Å; I615-I674 HydrophobicContact CD1-CG2 4.14Å; V658-I674 HydrophobicContact CG1-CG2 3.75Å; Y660-I674 HydrophobicContact CD2-CG1 3.95Å; I674-I686 CarbonylContact O-C 3.49Å; I674-I686 WeakPolarHBondContact O-CA 3.39Å; I674-F687 HydrophobicContact CB-CB 4.18Å; I674-F687 HydrophobicContact CB-CD2 4.4Å; I674-F687 HydrophobicContact CG2-CD2 4.24Å; I674-F687 PolarHBondContact N-O 2.84Å; I674-F687 WeakPolarHBondContact O-CD2 3.49Å; I674-F687 PolarHBondContact O-N 2.77Å; I674-I689 HydrophobicContact CD1-CD1 3.66Å; I674-I689 HydrophobicContact CD1-CG1 4.02Å; I674-I689 HydrophobicContact CG1-CD1 3.74Å; I674-I689 HydrophobicContact CG1-CG1 4.34Å; I674-I701 HydrophobicContact CD1-CD1 3.7Å |
| 675 | I | 80.3 | Confident | 64.5 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.4 | 174.8 | -55.4 | -179.3 | 0 | 0 | 0 | 107.3 | V658 C659 W661 L684 E685 I686 L727 I741 | V658-I675 CarbonylContact C-O 3.57Å; V658-I675 WeakPolarHBondContact CA-O 3.38Å; C659-I675 PolarHBondContact N-O 3.31Å; C659-I675 PolarHBondContact O-N 2.86Å; W661-I675 HydrophobicContact CD2-CD1 4.25Å; W661-I675 HydrophobicContact CE3-CD1 3.62Å; W661-I675 HydrophobicContact CZ3-CD1 4.13Å; I675-L684 HydrophobicContact CG2-CD1 3.72Å; I675-L684 HydrophobicContact CG2-CD2 3.89Å; I675-L684 HydrophobicContact CG2-CG 3.71Å; I675-E685 CarbonylContact C-O 3.47Å; I675-E685 WeakPolarHBondContact CA-O 3.45Å; I675-I686 HydrophobicContact CG1-CG1 4.42Å; I675-L727 HydrophobicContact CG2-CD2 4.13Å; I675-I741 HydrophobicContact CD1-CD1 3.35Å; I675-I741 HydrophobicContact CD1-CG1 4.3Å; I675-I741 HydrophobicContact CD1-CG2 4.47Å |
| 676 | A | 83.3 | Confident | 66 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F651 K655 G657 V658 E685 F687 | F651-A676 HydrophobicContact CZ-CB 4.28Å; K655-A676 HydrophobicContact CB-CB 4.04Å; K655-A676 HydrophobicContact CD-CB 4.25Å; K655-A676 HydrophobicContact CG-CB 3.96Å; G657-A676 CarbonylContact O-C 3.56Å; G657-A676 WeakPolarHBondContact O-CA 3.4Å; V658-A676 HydrophobicContact CG2-CB 4.16Å; A676-E685 PolarHBondContact N-O 3.45Å; A676-E685 PolarHBondContact O-N 2.96Å; A676-F687 HydrophobicContact CB-CE2 3.81Å |
| 677 | A | 80.9 | Confident | 67.5 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K655 V656 G657 A683 L710 I716 F718 | K655-A677 WeakPolarHBondContact CA-O 3.25Å; V656-A677 HydrophobicContact CB-CB 4.31Å; V656-A677 PolarHBondContact N-O 3.03Å; G657-A677 PolarHBondContact O-N 3.48Å; A677-A683 WeakPolarHBondContact CA-O 3.3Å; A677-L710 HydrophobicContact CB-CD1 3.77Å; A677-I716 HydrophobicContact CB-CD1 4.27Å; A677-F718 HydrophobicContact CB-CE2 3.69Å; A677-F718 HydrophobicContact CB-CZ 3.74Å |
| 678 | D | 78.8 | Confident | 68.7 | Low | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.1 | 171.1 | -166.8 | -69.5 | 0 | 0 | 0 | 111.2 | K655 Q680 Y681 H682 A683 | K655-D678 IonicContact NZ-OD2 3.38Å; K655-D678 PolarHBondContact NZ-OD2 3.43Å; D678-Q680 PolarHBondContact OD1-N 3.27Å; D678-Y681 WeakPolarHBondContact OD1-CD2 3.35Å; D678-Y681 PolarHBondContact OD1-N 2.8Å; D678-H682 PolarHBondContact O-N 3.33Å; D678-A683 PolarHBondContact N-O 3.49Å |
| 679 | S | 67.4 | Low | 69.9 | Low | 37 Ų | 37 | 27.1 Ų | 27.1 | 26% | 0.259 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -25.8 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 115 | P654 V656 | P654-S679 PolarHBondContact O-OG 2.87Å; V656-S679 VanDerWaalsContact CG2-CB 3.48Å |
| 680 | Q | 65.1 | Low | 71 | Confident | 138 Ų | 138 | 28.2 Ų | 28.2 | 65% | 0.645 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -40.5 | -178.1 | -68.5 | -177 | -19.9 | 0 | 0 | 112.6 | D678 | D678-Q680 PolarHBondContact OD1-N 3.27Š|
| 681 | Y | 53.4 | Low | 71.4 | Confident | 141 Ų | 141 | 32.1 Ų | 32.1 | 55% | 0.553 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -8.7 | -171.9 | -62.1 | -81.4 | 0 | 0 | 0 | 113.9 | R653 D678 A683 | R653-Y681 VanDerWaalsContact NH1-CE2 3.35Å; D678-Y681 WeakPolarHBondContact OD1-CD2 3.35Å; D678-Y681 PolarHBondContact OD1-N 2.8Å; Y681-A683 PolarHBondContact O-N 3.21Å |
| 682 | H | 68.7 | Low | 71.3 | Confident | 41 Ų | 41 | 35.8 Ų | 35.8 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | trans | 48.5 | 42.3 | -172.6 | -55.3 | -68.9 | 0 | 0 | 0 | 111.8 | D678 L710 S713 | D678-H682 PolarHBondContact O-N 3.33Å; H682-L710 WeakPolarHBondContact O-CB 3.27Å; H682-S713 PolarHBondContact CE1-N 2.89Å; H682-S713 VanDerWaalsContact CE1-N 3.29Å; H682-S713 PolarHBondContact CE1-O 2.6Å; H682-S713 PolarHBondContact ND1-N 3.32Å; H682-S713 PolarHBondContact ND1-O 3.47Å | ||
| 683 | A | 75.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | trans | -109.8 | 147 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A677 D678 Y681 I706 N708 | A677-A683 WeakPolarHBondContact CA-O 3.3Å; D678-A683 PolarHBondContact N-O 3.49Å; Y681-A683 PolarHBondContact O-N 3.21Å; A683-I706 HydrophobicContact CB-CG2 3.69Å; A683-N708 VanDerWaalsContact CB-OD1 3.29Å; A683-N708 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 684 | L | 79.9 | Confident | 69.6 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.6 | 173 | -175.2 | 131.7 | 0 | 0 | 0 | 108.9 | I675 I686 I706 Y707 L710 F718 L727 I739 V745 | I675-L684 HydrophobicContact CG2-CD1 3.72Å; I675-L684 HydrophobicContact CG2-CD2 3.89Å; I675-L684 HydrophobicContact CG2-CG 3.71Å; L684-I686 HydrophobicContact CD2-CD1 4.24Å; L684-I686 HydrophobicContact CD2-CG1 3.96Å; L684-I706 CarbonylContact O-C 3.52Å; L684-I706 WeakPolarHBondContact O-CA 3.47Å; L684-Y707 HydrophobicContact CD2-CD2 4.33Å; L684-Y707 PolarHBondContact N-O 3.41Å; L684-Y707 PolarHBondContact O-N 2.79Å; L684-L710 HydrophobicContact CB-CD1 4.06Å; L684-L710 HydrophobicContact CB-CG 4.31Å; L684-F718 HydrophobicContact CD1-CE1 4.31Å; L684-F718 HydrophobicContact CD1-CZ 4.21Å; L684-L727 HydrophobicContact CD1-CD2 3.88Å; L684-I739 HydrophobicContact CD1-CD1 4.14Å; L684-V745 HydrophobicContact CD2-CG1 4.23Å; L684-V745 HydrophobicContact CD2-CG2 4.47Å |
| 685 | E | 78.8 | Confident | 68.3 | Low | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135 | -180 | -62 | -177.8 | 171.7 | 0 | 0 | 110.5 | K655 I675 A676 F687 T703 Y705 I706 | K655-E685 WeakPolarHBondContact CE-OE2 3.46Å; K655-E685 IonicContact NZ-OE1 2.75Å; K655-E685 PolarHBondContact NZ-OE1 3.4Å; K655-E685 IonicContact NZ-OE2 3.65Å; K655-E685 PolarHBondContact NZ-OE2 2.79Å; I675-E685 CarbonylContact C-O 3.47Å; I675-E685 WeakPolarHBondContact CA-O 3.45Å; A676-E685 PolarHBondContact N-O 3.45Å; A676-E685 PolarHBondContact O-N 2.96Å; E685-F687 HydrophobicContact CB-CE2 3.72Å; E685-F687 HydrophobicContact CB-CZ 4.13Å; E685-F687 VanDerWaalsContact OE2-CZ 3.23Å; E685-F687 WeakPolarHBondContact OE2-CZ 3.32Å; E685-T703 HydrophobicContact CB-CG2 4.24Å; E685-T703 VanDerWaalsContact CD-CG2 3.49Å; E685-T703 HydrophobicContact CG-CG2 4.24Å; E685-T703 WeakPolarHBondContact OE2-CG2 3.29Å; E685-Y705 CarbonylContact C-O 3.54Å; E685-Y705 VanDerWaalsContact CA-O 3.3Å; E685-Y705 WeakPolarHBondContact CA-O 3.49Å; E685-I706 HydrophobicContact CG-CG1 4.25Å |
| 686 | I | 78.8 | Confident | 67.1 | Low | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.9 | 177 | -53.8 | -178.9 | 0 | 0 | 0 | 108.5 | L673 I674 I675 L684 E704 Y705 Y707 V745 | L673-I686 HydrophobicContact CB-CG2 4.06Å; L673-I686 HydrophobicContact CD1-CG2 4.13Å; L673-I686 HydrophobicContact CD2-CG2 3.98Å; L673-I686 HydrophobicContact CG-CG2 4.29Å; I674-I686 CarbonylContact O-C 3.49Å; I674-I686 WeakPolarHBondContact O-CA 3.39Å; I675-I686 HydrophobicContact CG1-CG1 4.42Å; L684-I686 HydrophobicContact CD2-CD1 4.24Å; L684-I686 HydrophobicContact CD2-CG1 3.96Å; I686-E704 PolarHBondContact O-N 3.36Å; I686-Y705 HydrophobicContact CB-CD2 4.37Å; I686-Y705 PolarHBondContact N-O 3.38Å; I686-Y705 PolarHBondContact O-N 3.46Å; I686-Y707 HydrophobicContact CD1-CD2 4.32Å; I686-Y707 HydrophobicContact CD1-CE2 3.96Å; I686-V745 HydrophobicContact CD1-CG2 3.82Å |
| 687 | F | 77.8 | Confident | 65.9 | Low | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.9 | 180 | -55.3 | -103.3 | 0 | 0 | 0 | 109 | F651 L673 I674 A676 E685 I701 T702 T703 | F651-F687 HydrophobicContact CD1-CE1 4.17Å; F651-F687 HydrophobicContact CD1-CZ 4.02Å; F651-F687 HydrophobicContact CE1-CE1 4.17Å; F651-F687 HydrophobicContact CE1-CE2 4.04Å; F651-F687 AromaticContact CE1-CZ 3.83Å; F651-F687 HydrophobicContact CE1-CZ 3.83Å; L673-F687 CarbonylContact C-O 3.48Å; L673-F687 WeakPolarHBondContact CA-O 3.21Å; I674-F687 HydrophobicContact CB-CB 4.18Å; I674-F687 HydrophobicContact CB-CD2 4.4Å; I674-F687 HydrophobicContact CG2-CD2 4.24Å; I674-F687 PolarHBondContact N-O 2.84Å; I674-F687 WeakPolarHBondContact O-CD2 3.49Å; I674-F687 PolarHBondContact O-N 2.77Å; A676-F687 HydrophobicContact CB-CE2 3.81Å; E685-F687 HydrophobicContact CB-CE2 3.72Å; E685-F687 HydrophobicContact CB-CZ 4.13Å; E685-F687 VanDerWaalsContact OE2-CZ 3.23Å; E685-F687 WeakPolarHBondContact OE2-CZ 3.32Å; F687-I701 HydrophobicContact CB-CD1 3.58Å; F687-I701 HydrophobicContact CB-CG1 3.97Å; F687-I701 HydrophobicContact CD1-CB 4.31Å; F687-I701 HydrophobicContact CD1-CD1 4.14Å; F687-I701 HydrophobicContact CD1-CG1 3.84Å; F687-I701 HydrophobicContact CD1-CG2 3.79Å; F687-I701 HydrophobicContact CE1-CG2 3.96Å; F687-I701 HydrophobicContact CG-CD1 4.09Å; F687-I701 HydrophobicContact CG-CG1 4.27Å; F687-T702 VanDerWaalsContact CD1-C 3.48Å; F687-T702 WeakPolarHBondContact CD1-O 3.42Å; F687-T703 HydrophobicContact CD1-CG2 4.21Å; F687-T703 HydrophobicContact CE1-CG2 3.37Å; F687-T703 HydrophobicContact CE2-CG2 4.38Å; F687-T703 HydrophobicContact CZ-CG2 3.47Å; F687-T703 VanDerWaalsContact CZ-CG2 3.47Å |
| 688 | C | 69.8 | Low | 65.1 | Low | 28 Ų | 28 | 68.4 Ų | 68.4 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.1 | 168 | -76.1 | 0 | 0 | 0 | 0 | 110.8 | S671 L673 E704 | S671-C688 PolarHBondContact OG-SG 3.15Å; L673-C688 HydrophobicContact CD2-CB 4.3Å; L673-C688 WeakPolarHBondContact CD2-SG 3.31Å; C688-E704 VanDerWaalsContact CB-CD 3.5Å; C688-E704 HydrophobicContact CB-CG 4.49Å; C688-E704 WeakPolarHBondContact CB-OE1 3.39Å; C688-E704 VanDerWaalsContact SG-CD 3.58Å; C688-E704 PolarHBondContact SG-OE2 3.33Å |
| 689 | I | 68.4 | Low | 64.8 | Low | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | trans | -97.2 | 114.7 | 172.8 | -64.8 | 158.9 | 0 | 0 | 0 | 109 | W649 Y660 S671 P672 I674 E691 I701 | W649-I689 HydrophobicContact CH2-CG2 3.85Å; W649-I689 HydrophobicContact CZ2-CG1 4.41Å; W649-I689 HydrophobicContact CZ2-CG2 3.66Å; Y660-I689 HydrophobicContact CD2-CD1 4.02Å; Y660-I689 HydrophobicContact CE2-CD1 3.47Å; Y660-I689 VanDerWaalsContact CE2-CD1 3.47Å; S671-I689 VanDerWaalsContact CB-O 3.3Å; S671-I689 WeakPolarHBondContact CB-O 3.45Å; P672-I689 HydrophobicContact CB-CD1 4.31Å; P672-I689 HydrophobicContact CG-CB 4.06Å; P672-I689 HydrophobicContact CG-CD1 4.45Å; P672-I689 HydrophobicContact CG-CG2 4.39Å; P672-I689 PolarHBondContact O-N 2.82Å; I674-I689 HydrophobicContact CD1-CD1 3.66Å; I674-I689 HydrophobicContact CD1-CG1 4.02Å; I674-I689 HydrophobicContact CG1-CD1 3.74Å; I674-I689 HydrophobicContact CG1-CG1 4.34Å; I689-E691 PolarHBondContact O-N 3.1Å; I689-I701 HydrophobicContact CG1-CD1 4.27Å | ||
| 690 | D | 62.6 | Low | 64.9 | Low | 88 Ų | 88 | 72.8 Ų | 72.8 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | trans | -79.3 | 112.2 | 172.5 | -109.2 | -18.7 | 0 | 0 | 0 | 110.8 | S692 Q693 | D690-S692 PolarHBondContact O-N 2.76Å; D690-Q693 PolarHBondContact O-N 2.98Å | ||
| 691 | E | 57.2 | Low | 65.1 | Low | 114 Ų | 114 | 66.6 Ų | 66.6 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -65.6 | -19.6 | -179.8 | -66.5 | -154.6 | 126.4 | 0 | 0 | 113.7 | I689 Q693 K694 | I689-E691 PolarHBondContact O-N 3.1Å; E691-Q693 PolarHBondContact O-N 2.87Å; E691-K694 WeakPolarHBondContact O-CG 3.48Å; E691-K694 PolarHBondContact O-N 3.26Å; E691-K694 IonicContact OE1-NZ 3.18Å; E691-K694 PolarHBondContact OE1-NZ 3.25Å |
| 692 | S | 53.2 | Low | 65.9 | Low | 102 Ų | 102 | 64.3 Ų | 64.3 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -66.1 | -20 | -179.8 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | D690 | D690-S692 PolarHBondContact O-N 2.76Š|
| 693 | Q | 51.3 | Low | 65.9 | Low | 107 Ų | 107 | 65.5 Ų | 65.5 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -93.1 | 2.6 | -177 | -61.1 | -165.1 | 4.1 | 0 | 0 | 114.8 | D690 E691 K695 L699 | D690-Q693 PolarHBondContact O-N 2.98Å; E691-Q693 PolarHBondContact O-N 2.87Å; Q693-K695 PolarHBondContact O-N 3.07Å; Q693-L699 HydrophobicContact CB-CD1 4.45Å |
| 694 | K | 52.8 | Low | 65.4 | Low | 57 Ų | 57 | 70.2 Ų | 70.2 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 7.9 | -175.3 | -72.9 | -172.7 | 178.2 | 177.9 | 0 | 116.7 | E619 I647 E691 | E619-K694 IonicContact OE1-NZ 2.57Å; E619-K694 PolarHBondContact OE1-NZ 3.29Å; I647-K694 HydrophobicContact CD1-CB 4.4Å; I647-K694 HydrophobicContact CD1-CD 4.37Å; I647-K694 HydrophobicContact CD1-CG 3.9Å; E691-K694 WeakPolarHBondContact O-CG 3.48Å; E691-K694 PolarHBondContact O-N 3.26Å; E691-K694 IonicContact OE1-NZ 3.18Å; E691-K694 PolarHBondContact OE1-NZ 3.25Å |
| 695 | K | 51.8 | Low | 65 | Low | 206 Ų | 206 | 75.5 Ų | 75.5 | 90% | 0.896 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -12.3 | 176.6 | -70.6 | -171.6 | 179.4 | -177.7 | 0 | 114.6 | Q693 | Q693-K695 PolarHBondContact O-N 3.07Š|
| 696 | Q | 55.1 | Low | 64.9 | Low | 128 Ų | 128 | 79.8 Ų | 79.8 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | trans | -112 | 132.7 | 179.6 | -68 | -179.1 | -6.2 | 0 | 0 | 110.8 | Q698 L699 | Q696-Q698 VanDerWaalsContact C-N 3.29Å; Q696-Q698 PolarHBondContact O-N 3.45Å; Q696-L699 HydrophobicContact CB-CD2 4.22Å | ||
| 697 | H | 58.1 | Low | 64.7 | Low | 98 Ų | 98 | 82.1 Ų | 82.1 | 45% | 0.454 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -74 | -11.5 | -179.4 | -66.1 | -67.4 | 0 | 0 | 0 | 114.6 | D642 L646 K648 | D642-H697 IonicContact OD1-CE1 2.74Å; D642-H697 IonicContact OD1-NE2 2.66Å; L646-H697 PolarHBondContact O-ND1 3.43Å; K648-H697 PolarHBondContact N-O 3.3Å |
| 698 | Q | 64.2 | Low | 64.4 | Low | 127 Ų | 127 | 87.2 Ų | 87.2 | 59% | 0.593 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.4 | 177.6 | -66.4 | -172.7 | -2.4 | 0 | 0 | 110.9 | K648 Q696 | K648-Q698 HydrophobicContact CB-CG 4.27Å; K648-Q698 HydrophobicContact CD-CG 4.36Å; K648-Q698 WeakPolarHBondContact O-CA 3.18Å; Q696-Q698 VanDerWaalsContact C-N 3.29Å; Q696-Q698 PolarHBondContact O-N 3.45Å |
| 699 | L | 71.7 | Confident | 64.4 | Low | 12 Ų | 12 | 87.6 Ų | 87.6 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.5 | -175.3 | -68.3 | 164.8 | 0 | 0 | 0 | 111 | I647 K648 W649 N650 Q693 Q696 | I647-L699 HydrophobicContact CG2-CD1 4.18Å; K648-L699 PolarHBondContact O-N 2.92Å; W649-L699 CarbonylContact C-O 3.57Å; W649-L699 WeakPolarHBondContact CA-O 3.46Å; W649-L699 HydrophobicContact CE3-CB 3.69Å; W649-L699 HydrophobicContact CE3-CD1 4.31Å; W649-L699 HydrophobicContact CH2-CB 4.46Å; W649-L699 HydrophobicContact CH2-CD1 3.59Å; W649-L699 HydrophobicContact CZ2-CD1 4.24Å; W649-L699 HydrophobicContact CZ3-CB 3.66Å; W649-L699 HydrophobicContact CZ3-CD1 3.64Å; W649-L699 HydrophobicContact CZ3-CG 4.28Å; N650-L699 PolarHBondContact N-O 2.63Å; Q693-L699 HydrophobicContact CB-CD1 4.45Å; Q696-L699 HydrophobicContact CB-CD2 4.22Å |
| 700 | H | 68.4 | Low | 64.6 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.6 | 170 | -84.4 | -69 | 0 | 0 | 0 | 110.1 | N650 H652 | N650-H700 WeakPolarHBondContact CB-CE1 3.18Å; N650-H700 WeakPolarHBondContact CB-ND1 3.5Å; N650-H700 WeakPolarHBondContact O-CA 3.46Å; N650-H700 PolarHBondContact O-ND1 2.94Å; N650-H700 VanDerWaalsContact O-ND1 3.14Å; H652-H700 AromaticContact CE1-CG 3.97Å; H652-H700 AromaticContact CE1-ND1 3.95Å; H652-H700 AromaticContact ND1-ND1 3.73Å |
| 701 | I | 70.7 | Confident | 64.8 | Low | 8 Ų | 8 | 87.5 Ų | 87.5 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.5 | -177.5 | -156.2 | 173 | 0 | 0 | 0 | 111.5 | W649 N650 F651 I674 F687 I689 | W649-I701 HydrophobicContact CE3-CB 4.09Å; W649-I701 HydrophobicContact CE3-CD1 4.29Å; W649-I701 HydrophobicContact CE3-CG1 4.32Å; N650-I701 PolarHBondContact O-N 3.11Å; F651-I701 HydrophobicContact CD1-CG2 3.53Å; F651-I701 HydrophobicContact CE1-CG2 3.77Å; I674-I701 HydrophobicContact CD1-CD1 3.7Å; F687-I701 HydrophobicContact CB-CD1 3.58Å; F687-I701 HydrophobicContact CB-CG1 3.97Å; F687-I701 HydrophobicContact CD1-CB 4.31Å; F687-I701 HydrophobicContact CD1-CD1 4.14Å; F687-I701 HydrophobicContact CD1-CG1 3.84Å; F687-I701 HydrophobicContact CD1-CG2 3.79Å; F687-I701 HydrophobicContact CE1-CG2 3.96Å; F687-I701 HydrophobicContact CG-CD1 4.09Å; F687-I701 HydrophobicContact CG-CG1 4.27Å; I689-I701 HydrophobicContact CG1-CD1 4.27Å |
| 702 | T | 69.8 | Low | 65.1 | Low | 94 Ų | 94 | 89.9 Ų | 89.9 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | trans | -105.3 | 138.6 | -179 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | F687 | F687-T702 VanDerWaalsContact CD1-C 3.48Å; F687-T702 WeakPolarHBondContact CD1-O 3.42Å | ||
| 703 | T | 69 | Low | 65.7 | Low | 65 Ų | 65 | 85.3 Ų | 85.3 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | trans | -67.9 | 130.6 | 178.3 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | E685 F687 | E685-T703 HydrophobicContact CB-CG2 4.24Å; E685-T703 VanDerWaalsContact CD-CG2 3.49Å; E685-T703 HydrophobicContact CG-CG2 4.24Å; E685-T703 WeakPolarHBondContact OE2-CG2 3.29Å; F687-T703 HydrophobicContact CD1-CG2 4.21Å; F687-T703 HydrophobicContact CE1-CG2 3.37Å; F687-T703 HydrophobicContact CE2-CG2 4.38Å; F687-T703 HydrophobicContact CZ-CG2 3.47Å; F687-T703 VanDerWaalsContact CZ-CG2 3.47Å | ||
| 704 | E | 63.3 | Low | 66.4 | Low | 100 Ų | 100 | 89 Ų | 89 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | trans | -99.6 | -43.9 | 175.1 | -68.7 | -161.8 | 165.2 | 0 | 0 | 113.6 | I686 C688 | I686-E704 PolarHBondContact O-N 3.36Å; C688-E704 VanDerWaalsContact CB-CD 3.5Å; C688-E704 HydrophobicContact CB-CG 4.49Å; C688-E704 WeakPolarHBondContact CB-OE1 3.39Å; C688-E704 VanDerWaalsContact SG-CD 3.58Å; C688-E704 PolarHBondContact SG-OE2 3.33Å | ||
| 705 | Y | 72.1 | Confident | 67.3 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.9 | -178.9 | -54.5 | -85.9 | 0 | 0 | 0 | 111.3 | E685 I686 | E685-Y705 CarbonylContact C-O 3.54Å; E685-Y705 VanDerWaalsContact CA-O 3.3Å; E685-Y705 WeakPolarHBondContact CA-O 3.49Å; I686-Y705 HydrophobicContact CB-CD2 4.37Å; I686-Y705 PolarHBondContact N-O 3.38Å; I686-Y705 PolarHBondContact O-N 3.46Å |
| 706 | I | 76 | Confident | 68.6 | Low | 97 Ų | 97 | 80.5 Ų | 80.5 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.1 | -179.8 | -53.5 | -178.4 | 0 | 0 | 0 | 109.6 | A683 L684 E685 | A683-I706 HydrophobicContact CB-CG2 3.69Å; L684-I706 CarbonylContact O-C 3.52Å; L684-I706 WeakPolarHBondContact O-CA 3.47Å; E685-I706 HydrophobicContact CG-CG1 4.25Å |
| 707 | Y | 74.7 | Confident | 69.8 | Low | 60 Ų | 60 | 78 Ų | 78 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.8 | -179.4 | -66 | -87.5 | 0 | 0 | 0 | 111.9 | L684 I686 I709 V745 | L684-Y707 HydrophobicContact CD2-CD2 4.33Å; L684-Y707 PolarHBondContact N-O 3.41Å; L684-Y707 PolarHBondContact O-N 2.79Å; I686-Y707 HydrophobicContact CD1-CD2 4.32Å; I686-Y707 HydrophobicContact CD1-CE2 3.96Å; Y707-I709 VanDerWaalsContact C-N 3.32Å; Y707-I709 HydrophobicContact CD1-CD1 4.35Å; Y707-I709 HydrophobicContact CG-CD1 4.42Å; Y707-I709 PolarHBondContact O-N 3.37Å; Y707-V745 HydrophobicContact CD1-CB 3.82Å; Y707-V745 HydrophobicContact CD1-CG2 4.29Å; Y707-V745 HydrophobicContact CD2-CB 3.93Å; Y707-V745 HydrophobicContact CD2-CG2 3.59Å; Y707-V745 HydrophobicContact CE1-CB 3.87Å; Y707-V745 HydrophobicContact CE1-CG2 4.09Å; Y707-V745 HydrophobicContact CE2-CB 3.99Å; Y707-V745 HydrophobicContact CE2-CG2 3.35Å; Y707-V745 HydrophobicContact CG-CB 3.84Å; Y707-V745 HydrophobicContact CG-CG1 4.42Å; Y707-V745 HydrophobicContact CG-CG2 4.06Å |
| 708 | N | 72.8 | Confident | 71 | Confident | 110 Ų | 110 | 73.8 Ų | 73.8 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 68.4 | 179.2 | -65.7 | -6.6 | 0 | 0 | 0 | 111.6 | A683 | A683-N708 VanDerWaalsContact CB-OD1 3.29Å; A683-N708 WeakPolarHBondContact CB-OD1 3.36Å |
| 709 | I | 68.7 | Low | 71.7 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 18% | 0.179 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -24.7 | -174.8 | -65 | 170.4 | 0 | 0 | 0 | 112.5 | Y707 I739 V745 L747 | Y707-I709 VanDerWaalsContact C-N 3.32Å; Y707-I709 HydrophobicContact CD1-CD1 4.35Å; Y707-I709 HydrophobicContact CG-CD1 4.42Å; Y707-I709 PolarHBondContact O-N 3.37Å; I709-I739 HydrophobicContact CG2-CD1 4.49Å; I709-V745 HydrophobicContact CD1-CB 4.12Å; I709-V745 HydrophobicContact CD1-CG1 3.65Å; I709-L747 HydrophobicContact CG2-CB 3.67Å; I709-L747 HydrophobicContact CG2-CD1 4.07Å; I709-L747 HydrophobicContact CG2-CD2 4.46Å; I709-L747 HydrophobicContact CG2-CG 4.28Å |
| 710 | L | 72.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 9% | 0.089 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -74.8 | 151 | -175.1 | -56 | 167 | 0 | 0 | 0 | 111.2 | A677 H682 L684 I716 F718 A729 I739 | A677-L710 HydrophobicContact CB-CD1 3.77Å; H682-L710 WeakPolarHBondContact O-CB 3.27Å; L684-L710 HydrophobicContact CB-CD1 4.06Å; L684-L710 HydrophobicContact CB-CG 4.31Å; L710-I716 HydrophobicContact CB-CD1 4.13Å; L710-I716 HydrophobicContact CD1-CD1 3.9Å; L710-I716 HydrophobicContact CD2-CD1 4.45Å; L710-I716 HydrophobicContact CG-CD1 4.38Å; L710-F718 HydrophobicContact CD1-CZ 4.01Å; L710-F718 HydrophobicContact CD2-CE1 4.06Å; L710-F718 HydrophobicContact CD2-CZ 4.28Å; L710-A729 HydrophobicContact CD2-CB 4.3Å; L710-I739 HydrophobicContact CD2-CD1 3.64Å |
| 711 | Q | 68 | Low | 72.1 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | trans | -78 | 149.3 | 170 | -85.8 | 168.7 | 7.1 | 0 | 0 | 110.7 | S713 S735 Q737 S750 | Q711-S713 PolarHBondContact O-N 3.19Å; Q711-S713 PolarHBondContact O-OG 3.3Å; Q711-S713 VanDerWaalsContact O-OG 3.13Å; Q711-S735 VanDerWaalsContact OE1-CB 3.25Å; Q711-S735 PolarHBondContact OE1-OG 3.44Å; Q711-Q737 VanDerWaalsContact CG-NE2 3.31Å; Q711-S750 PolarHBondContact NE2-OG 2.74Å | ||
| 712 | E | 62.6 | Low | 71.9 | Confident | 165 Ų | 165 | 70.8 Ų | 70.8 | 77% | 0.771 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -56.1 | 109.9 | 173.3 | -64.4 | -178.6 | 175.3 | 0 | 0 | 110.1 | ||
| 713 | S | 66.6 | Low | 71.5 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | trans | -155.3 | 143.3 | -180 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | H682 Q711 I716 D733 | H682-S713 PolarHBondContact CE1-N 2.89Å; H682-S713 VanDerWaalsContact CE1-N 3.29Å; H682-S713 PolarHBondContact CE1-O 2.6Å; H682-S713 PolarHBondContact ND1-N 3.32Å; H682-S713 PolarHBondContact ND1-O 3.47Å; Q711-S713 PolarHBondContact O-N 3.19Å; Q711-S713 PolarHBondContact O-OG 3.3Å; Q711-S713 VanDerWaalsContact O-OG 3.13Å; S713-I716 VanDerWaalsContact OG-CD1 3.27Å; S713-I716 WeakPolarHBondContact OG-CD1 3.21Å; S713-I716 WeakPolarHBondContact OG-CG1 3.33Å; S713-D733 WeakPolarHBondContact CA-OD2 3.45Å; S713-D733 WeakPolarHBondContact CB-OD2 3.26Å | ||
| 714 | K | 65.2 | Low | 71.6 | Confident | 183 Ų | 183 | 66.6 Ų | 66.6 | 80% | 0.796 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -76.3 | -26.9 | -176.1 | -69.6 | -176.4 | 178.7 | 179.9 | 0 | 113.3 | V656 | V656-K714 VanDerWaalsContact CG1-O 3.23Å; V656-K714 WeakPolarHBondContact CG1-O 3.34Å |
| 715 | N | 72.3 | Confident | 71.9 | Confident | 76 Ų | 76 | 62.1 Ų | 62.1 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | trans | -142.3 | 114 | -176.4 | -87.7 | -23.2 | 0 | 0 | 0 | 110.3 | S731 M732 | N715-S731 WeakPolarHBondContact O-CA 3.27Å; N715-M732 HydrophobicContact CB-CB 4.21Å; N715-M732 HydrophobicContact CB-CG 3.71Å; N715-M732 PolarHBondContact O-N 2.85Å | ||
| 716 | I | 78.8 | Confident | 72.3 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.7 | 177 | -57.4 | 173.2 | 0 | 0 | 0 | 107.7 | V656 G657 A677 L710 S713 F718 A729 | V656-I716 HydrophobicContact CG1-CB 4.47Å; V656-I716 VanDerWaalsContact CG1-N 3.26Å; G657-I716 VanDerWaalsContact CA-O 3.23Å; G657-I716 WeakPolarHBondContact CA-O 3.36Å; A677-I716 HydrophobicContact CB-CD1 4.27Å; L710-I716 HydrophobicContact CB-CD1 4.13Å; L710-I716 HydrophobicContact CD1-CD1 3.9Å; L710-I716 HydrophobicContact CD2-CD1 4.45Å; L710-I716 HydrophobicContact CG-CD1 4.38Å; S713-I716 VanDerWaalsContact OG-CD1 3.27Å; S713-I716 WeakPolarHBondContact OG-CD1 3.21Å; S713-I716 WeakPolarHBondContact OG-CG1 3.33Å; I716-F718 HydrophobicContact CG2-CD1 4.11Å; I716-F718 HydrophobicContact CG2-CE1 3.69Å; I716-F718 HydrophobicContact CG2-CE2 4.48Å; I716-F718 HydrophobicContact CG2-CZ 3.91Å; I716-A729 HydrophobicContact CG2-CB 4.2Å |
| 717 | K | 80.5 | Confident | 72.6 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143 | 167.2 | -72.5 | -173.8 | 178.1 | -177.2 | 0 | 109.4 | A729 Y730 I762 | K717-A729 WeakPolarHBondContact O-CA 3.45Å; K717-Y730 HydrophobicContact CB-CD1 4.39Å; K717-Y730 HydrophobicContact CB-CD2 4.12Å; K717-Y730 HydrophobicContact CB-CE1 3.85Å; K717-Y730 HydrophobicContact CB-CE2 3.59Å; K717-Y730 VanDerWaalsContact CB-CZ 3.43Å; K717-Y730 HydrophobicContact CD-CE2 3.69Å; K717-Y730 WeakPolarHBondContact CD-OH 3.25Å; K717-Y730 HydrophobicContact CG-CE2 4.17Å; K717-Y730 PolarHBondContact N-O 2.95Å; K717-Y730 PolarHBondContact O-N 2.85Å; K717-I762 PolarHBondContact NZ-O 2.79Å |
| 718 | F | 82.5 | Confident | 73.2 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.4 | 177.4 | -68.8 | -52.6 | 0 | 0 | 0 | 109.7 | G657 C659 A677 L684 L710 I716 L727 L728 A729 | G657-F718 WeakPolarHBondContact O-CE2 3.26Å; C659-F718 HydrophobicContact CB-CB 3.66Å; C659-F718 HydrophobicContact CB-CG 4.42Å; A677-F718 HydrophobicContact CB-CE2 3.69Å; A677-F718 HydrophobicContact CB-CZ 3.74Å; L684-F718 HydrophobicContact CD1-CE1 4.31Å; L684-F718 HydrophobicContact CD1-CZ 4.21Å; L710-F718 HydrophobicContact CD1-CZ 4.01Å; L710-F718 HydrophobicContact CD2-CE1 4.06Å; L710-F718 HydrophobicContact CD2-CZ 4.28Å; I716-F718 HydrophobicContact CG2-CD1 4.11Å; I716-F718 HydrophobicContact CG2-CE1 3.69Å; I716-F718 HydrophobicContact CG2-CE2 4.48Å; I716-F718 HydrophobicContact CG2-CZ 3.91Å; F718-L727 HydrophobicContact CB-CD1 3.88Å; F718-L727 HydrophobicContact CD1-CD1 4.21Å; F718-L727 HydrophobicContact CD1-CD2 3.67Å; F718-L727 HydrophobicContact CD1-CG 3.99Å; F718-L727 HydrophobicContact CE1-CD2 3.93Å; F718-L727 HydrophobicContact CG-CD1 4.32Å; F718-L727 HydrophobicContact CG-CD2 4.24Å; F718-L728 WeakPolarHBondContact CA-O 3.41Å; F718-A729 HydrophobicContact CD1-CB 3.64Å; F718-A729 HydrophobicContact CE1-CB 3.55Å |
| 719 | T | 79.8 | Confident | 73.8 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.1 | 170.7 | -59.7 | 0 | 0 | 0 | 0 | 108.2 | L728 Y730 | T719-L728 PolarHBondContact N-O 3.29Å; T719-L728 WeakPolarHBondContact O-CB 3.3Å; T719-L728 PolarHBondContact O-N 2.79Å; T719-Y730 WeakPolarHBondContact OG1-CE1 3.46Å |
| 720 | R | 73.9 | Confident | 74.7 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 15% | 0.151 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.4 | 172.8 | -178.1 | 172.8 | 180 | -152.9 | -6.4 | 109.8 | W661 P662 D665 S722 | W661-R720 HydrophobicContact CE3-CG 4.29Å; W661-R720 HydrophobicContact CH2-CG 3.93Å; W661-R720 HydrophobicContact CZ3-CB 4.34Å; W661-R720 HydrophobicContact CZ3-CG 3.72Å; P662-R720 VanDerWaalsContact CD-NH1 3.28Å; D665-R720 VanDerWaalsContact CB-NH2 3.33Å; D665-R720 VanDerWaalsContact CG-NH2 3.34Å; D665-R720 IonicContact OD2-CZ 3.65Å; D665-R720 IonicContact OD2-NH1 3.67Å; D665-R720 PolarHBondContact OD2-NH1 2.73Å; D665-R720 IonicContact OD2-NH2 3.67Å; D665-R720 PolarHBondContact OD2-NH2 2.73Å; R720-S722 PolarHBondContact O-N 2.78Å |
| 721 | I | 75 | Confident | 75.1 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | trans | -87.3 | 104.9 | 172.9 | -56.3 | 169.3 | 0 | 0 | 0 | 107.9 | G723 T724 S726 L728 I738 F766 L770 | I721-G723 PolarHBondContact O-N 3.22Å; I721-T724 WeakPolarHBondContact CB-OG1 3.49Å; I721-T724 HydrophobicContact CG2-CG2 4Å; I721-T724 WeakPolarHBondContact CG2-OG1 3.49Å; I721-T724 PolarHBondContact O-N 3.3Å; I721-T724 VanDerWaalsContact O-N 3.17Å; I721-T724 PolarHBondContact O-OG1 3.14Å; I721-S726 WeakPolarHBondContact CB-O 3.42Å; I721-S726 PolarHBondContact N-O 2.92Å; I721-S726 VanDerWaalsContact N-O 3.1Å; I721-L728 HydrophobicContact CG1-CB 4.34Å; I721-I738 HydrophobicContact CD1-CG2 4.46Å; I721-F766 HydrophobicContact CD1-CD2 3.96Å; I721-F766 HydrophobicContact CD1-CE2 3.25Å; I721-F766 HydrophobicContact CD1-CZ 3.59Å; I721-F766 HydrophobicContact CG1-CD2 3.98Å; I721-F766 HydrophobicContact CG1-CE2 3.7Å; I721-F766 HydrophobicContact CG1-CZ 4.49Å; I721-L770 HydrophobicContact CG2-CD2 3.66Å | ||
| 722 | S | 65.3 | Low | 75.6 | Confident | 97 Ų | 97 | 42.3 Ų | 42.3 | 68% | 0.678 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 136.7 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 112 | R720 T724 | R720-S722 PolarHBondContact O-N 2.78Å; S722-T724 VanDerWaalsContact C-N 3.3Å; S722-T724 PolarHBondContact O-N 3.45Å |
| 723 | G | 62.8 | Low | 76.2 | Confident | 66 Ų | 66 | 36.9 Ų | 36.9 | 68% | 0.68 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I721 | I721-G723 PolarHBondContact O-N 3.22Š|
| 724 | T | 69.8 | Low | 76.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -131.8 | 165.7 | -177.7 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | I721 S722 S726 L770 I792 | I721-T724 WeakPolarHBondContact CB-OG1 3.49Å; I721-T724 HydrophobicContact CG2-CG2 4Å; I721-T724 WeakPolarHBondContact CG2-OG1 3.49Å; I721-T724 PolarHBondContact O-N 3.3Å; I721-T724 VanDerWaalsContact O-N 3.17Å; I721-T724 PolarHBondContact O-OG1 3.14Å; S722-T724 VanDerWaalsContact C-N 3.3Å; S722-T724 PolarHBondContact O-N 3.45Å; T724-S726 PolarHBondContact O-N 3.49Å; T724-S726 PolarHBondContact OG1-N 2.81Å; T724-L770 HydrophobicContact CG2-CD1 3.96Å; T724-I792 HydrophobicContact CG2-CG2 3.57Å |
| 725 | N | 70.7 | Confident | 77.7 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -86.1 | 16.7 | 170.5 | -80.3 | -8.1 | 0 | 0 | 0 | 113.4 | V666 N740 I741 N742 | V666-N725 VanDerWaalsContact CG2-OD1 3.29Å; V666-N725 WeakPolarHBondContact CG2-OD1 3.24Å; N725-N740 WeakPolarHBondContact CB-OD1 3.47Å; N725-N740 PolarHBondContact O-OD1 3.16Å; N725-I741 WeakPolarHBondContact CB-O 3.24Å; N725-I741 PolarHBondContact O-N 3Å; N725-N742 VanDerWaalsContact CB-OD1 3.3Å; N725-N742 WeakPolarHBondContact CB-OD1 3.49Å; N725-N742 PolarHBondContact ND2-OD1 2.84Å |
| 726 | S | 79.5 | Confident | 78.4 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.1 | -175 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | I721 T724 I739 | I721-S726 WeakPolarHBondContact CB-O 3.42Å; I721-S726 PolarHBondContact N-O 2.92Å; I721-S726 VanDerWaalsContact N-O 3.1Å; T724-S726 PolarHBondContact O-N 3.49Å; T724-S726 PolarHBondContact OG1-N 2.81Å; S726-I739 CarbonylContact C-O 3.58Å; S726-I739 WeakPolarHBondContact CA-O 3.49Å |
| 727 | L | 82.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.8 | 174.7 | -179.5 | 67.1 | 0 | 0 | 0 | 109.4 | C659 I675 L684 F718 I738 I739 I741 | C659-L727 HydrophobicContact CB-CD1 4.26Å; I675-L727 HydrophobicContact CG2-CD2 4.13Å; L684-L727 HydrophobicContact CD1-CD2 3.88Å; F718-L727 HydrophobicContact CB-CD1 3.88Å; F718-L727 HydrophobicContact CD1-CD1 4.21Å; F718-L727 HydrophobicContact CD1-CD2 3.67Å; F718-L727 HydrophobicContact CD1-CG 3.99Å; F718-L727 HydrophobicContact CE1-CD2 3.93Å; F718-L727 HydrophobicContact CG-CD1 4.32Å; F718-L727 HydrophobicContact CG-CD2 4.24Å; L727-I738 WeakPolarHBondContact O-CA 3.33Å; L727-I739 HydrophobicContact CB-CB 4.38Å; L727-I739 PolarHBondContact N-O 3.46Å; L727-I739 PolarHBondContact O-N 2.66Å; L727-I741 HydrophobicContact CB-CD1 3.59Å; L727-I741 HydrophobicContact CB-CG1 4.48Å; L727-I741 HydrophobicContact CD2-CD1 4.09Å; L727-I741 HydrophobicContact CG-CD1 4.38Å |
| 728 | L | 86.5 | Confident | 78.8 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.7 | 170 | -177.8 | 68.2 | 0 | 0 | 0 | 108.5 | F718 T719 I721 Y730 V736 I738 A764 F766 L773 | F718-L728 WeakPolarHBondContact CA-O 3.41Å; T719-L728 PolarHBondContact N-O 3.29Å; T719-L728 WeakPolarHBondContact O-CB 3.3Å; T719-L728 PolarHBondContact O-N 2.79Å; I721-L728 HydrophobicContact CG1-CB 4.34Å; L728-Y730 HydrophobicContact CD2-CD1 4.39Å; L728-Y730 HydrophobicContact CG-CD1 4.25Å; L728-V736 HydrophobicContact CD1-CG1 3.41Å; L728-V736 VanDerWaalsContact CD1-CG1 3.41Å; L728-I738 HydrophobicContact CD1-CG1 4.1Å; L728-A764 HydrophobicContact CD2-CB 3.86Å; L728-F766 HydrophobicContact CB-CE2 4.31Å; L728-F766 HydrophobicContact CD1-CE2 3.94Å; L728-F766 HydrophobicContact CD1-CZ 4.42Å; L728-F766 HydrophobicContact CD2-CD2 4.31Å; L728-F766 HydrophobicContact CD2-CE2 4Å; L728-F766 HydrophobicContact CG-CE2 4.31Å; L728-L773 HydrophobicContact CD1-CD1 4.19Å; L728-L773 HydrophobicContact CD1-CD2 4.35Å; L728-L773 HydrophobicContact CD2-CD1 3.92Å |
| 729 | A | 86.5 | Confident | 78.8 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109 | L710 I716 K717 F718 V736 Q737 I739 | L710-A729 HydrophobicContact CD2-CB 4.3Å; I716-A729 HydrophobicContact CG2-CB 4.2Å; K717-A729 WeakPolarHBondContact O-CA 3.45Å; F718-A729 HydrophobicContact CD1-CB 3.64Å; F718-A729 HydrophobicContact CE1-CB 3.55Å; A729-V736 CarbonylContact O-C 3.59Å; A729-V736 WeakPolarHBondContact O-CA 3.42Å; A729-Q737 HydrophobicContact CB-CB 4.25Å; A729-Q737 PolarHBondContact N-O 2.81Å; A729-Q737 PolarHBondContact O-N 3.35Å; A729-I739 HydrophobicContact CB-CD1 4.15Å |
| 730 | Y | 87 | Confident | 78.7 | Confident | 20 Ų | 20 | 19 Ų | 19 | 8% | 0.078 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.2 | 177.4 | 59.2 | -84.4 | 0 | 0 | 0 | 111 | K717 T719 L728 S735 I761 A764 | K717-Y730 HydrophobicContact CB-CD1 4.39Å; K717-Y730 HydrophobicContact CB-CD2 4.12Å; K717-Y730 HydrophobicContact CB-CE1 3.85Å; K717-Y730 HydrophobicContact CB-CE2 3.59Å; K717-Y730 VanDerWaalsContact CB-CZ 3.43Å; K717-Y730 HydrophobicContact CD-CE2 3.69Å; K717-Y730 WeakPolarHBondContact CD-OH 3.25Å; K717-Y730 HydrophobicContact CG-CE2 4.17Å; K717-Y730 PolarHBondContact N-O 2.95Å; K717-Y730 PolarHBondContact O-N 2.85Å; T719-Y730 WeakPolarHBondContact OG1-CE1 3.46Å; L728-Y730 HydrophobicContact CD2-CD1 4.39Å; L728-Y730 HydrophobicContact CG-CD1 4.25Å; Y730-S735 VanDerWaalsContact CA-O 3.3Å; Y730-S735 WeakPolarHBondContact CA-O 3.32Å; Y730-I761 HydrophobicContact CD2-CB 3.99Å; Y730-I761 HydrophobicContact CD2-CG2 3.65Å; Y730-I761 HydrophobicContact CE2-CG2 4.39Å; Y730-I761 HydrophobicContact CG-CG2 4.17Å; Y730-A764 HydrophobicContact CD1-CB 4.03Å; Y730-A764 HydrophobicContact CE1-CB 4.38Å; Y730-A764 HydrophobicContact CG-CB 4.13Å |
| 731 | S | 82.1 | Confident | 78.5 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.6 | -169.2 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | N715 D733 G734 S735 I761 | N715-S731 WeakPolarHBondContact O-CA 3.27Å; S731-D733 PolarHBondContact O-N 2.73Å; S731-D733 VanDerWaalsContact O-N 3.16Å; S731-D733 PolarHBondContact OG-N 2.91Å; S731-G734 PolarHBondContact O-N 3.01Å; S731-G734 VanDerWaalsContact O-N 3.09Å; S731-S735 PolarHBondContact N-O 2.87Å; S731-S735 PolarHBondContact OG-N 2.84Å; S731-S735 PolarHBondContact OG-OG 3.02Å; S731-I761 PolarHBondContact O-N 3.47Å; S731-I761 VanDerWaalsContact O-N 3.1Å |
| 732 | M | 77.1 | Confident | 78.2 | Confident | 53 Ų | 53 | 20 Ų | 20 | 26% | 0.261 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -6.5 | 170.2 | -69.6 | -89.4 | 163.7 | 0 | 0 | 113 | N715 G734 R759 G760 | N715-M732 HydrophobicContact CB-CB 4.21Å; N715-M732 HydrophobicContact CB-CG 3.71Å; N715-M732 PolarHBondContact O-N 2.85Å; M732-G734 VanDerWaalsContact C-N 3.29Å; M732-R759 CarbonylContact O-C 3.31Å; M732-R759 VanDerWaalsContact O-C 3.24Å; M732-R759 HydrophobicContact SD-CB 3.83Å; M732-G760 WeakPolarHBondContact O-CA 3.46Å; M732-G760 PolarHBondContact O-N 2.82Å |
| 733 | D | 76.7 | Confident | 77.8 | Confident | 51 Ų | 51 | 20.7 Ų | 20.7 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1.6 | 173.1 | -60.7 | -40.2 | 0 | 0 | 0 | 112.6 | S713 S731 S756 | S713-D733 WeakPolarHBondContact CA-OD2 3.45Å; S713-D733 WeakPolarHBondContact CB-OD2 3.26Å; S731-D733 PolarHBondContact O-N 2.73Å; S731-D733 VanDerWaalsContact O-N 3.16Å; S731-D733 PolarHBondContact OG-N 2.91Å; D733-S756 WeakPolarHBondContact O-CA 3.15Å; D733-S756 WeakPolarHBondContact O-CB 3.43Å |
| 734 | G | 79.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 91.5 | 8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S731 M732 N752 I753 H754 | S731-G734 PolarHBondContact O-N 3.01Å; S731-G734 VanDerWaalsContact O-N 3.09Å; M732-G734 VanDerWaalsContact C-N 3.29Å; G734-N752 CarbonylContact O-C 3.56Å; G734-N752 WeakPolarHBondContact O-CA 3.39Å; G734-I753 PolarHBondContact O-N 3.06Å; G734-H754 PolarHBondContact O-N 3.36Å |
| 735 | S | 82.7 | Confident | 77.7 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 4% | 0.035 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.9 | -178.7 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | Q711 Y730 S731 I751 N752 | Q711-S735 VanDerWaalsContact OE1-CB 3.25Å; Q711-S735 PolarHBondContact OE1-OG 3.44Å; Y730-S735 VanDerWaalsContact CA-O 3.3Å; Y730-S735 WeakPolarHBondContact CA-O 3.32Å; S731-S735 PolarHBondContact N-O 2.87Å; S731-S735 PolarHBondContact OG-N 2.84Å; S731-S735 PolarHBondContact OG-OG 3.02Å; S735-I751 WeakPolarHBondContact CA-O 3.49Å; S735-N752 WeakPolarHBondContact CB-OD1 3.36Å |
| 736 | V | 86 | Confident | 77.8 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.6 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 109 | L728 A729 S750 I751 I753 I761 L773 T775 | L728-V736 HydrophobicContact CD1-CG1 3.41Å; L728-V736 VanDerWaalsContact CD1-CG1 3.41Å; A729-V736 CarbonylContact O-C 3.59Å; A729-V736 WeakPolarHBondContact O-CA 3.42Å; V736-S750 VanDerWaalsContact O-CA 3.26Å; V736-S750 WeakPolarHBondContact O-CA 3.28Å; V736-I751 HydrophobicContact CB-CG2 4.27Å; V736-I751 PolarHBondContact N-O 3.19Å; V736-I751 PolarHBondContact O-N 3.36Å; V736-I753 HydrophobicContact CB-CD1 4.5Å; V736-I753 HydrophobicContact CG2-CD1 3.77Å; V736-I761 HydrophobicContact CB-CD1 4.44Å; V736-I761 HydrophobicContact CG2-CD1 3.18Å; V736-L773 HydrophobicContact CB-CD2 4.49Å; V736-L773 HydrophobicContact CG1-CD2 3.77Å; V736-L773 HydrophobicContact CG2-CD2 4.29Å; V736-T775 HydrophobicContact CG2-CG2 4.07Å |
| 737 | Q | 84.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.1 | 171.7 | -63.9 | -176.4 | -10.8 | 0 | 0 | 110.1 | Q711 A729 I739 L747 Y749 | Q711-Q737 VanDerWaalsContact CG-NE2 3.31Å; A729-Q737 HydrophobicContact CB-CB 4.25Å; A729-Q737 PolarHBondContact N-O 2.81Å; A729-Q737 PolarHBondContact O-N 3.35Å; Q737-I739 HydrophobicContact CB-CG1 4.41Å; Q737-L747 HydrophobicContact CB-CD1 3.83Å; Q737-L747 HydrophobicContact CG-CD1 4.11Å; Q737-Y749 CarbonylContact C-O 3.58Å; Q737-Y749 VanDerWaalsContact CA-O 3.27Å; Q737-Y749 WeakPolarHBondContact CA-O 2.9Å |
| 738 | I | 84.2 | Confident | 77 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.2 | 169.7 | -56.2 | 169 | 0 | 0 | 0 | 106.8 | I721 L727 L728 Q748 Y749 F766 I787 | I721-I738 HydrophobicContact CD1-CG2 4.46Å; L727-I738 WeakPolarHBondContact O-CA 3.33Å; L728-I738 HydrophobicContact CD1-CG1 4.1Å; I738-Q748 HydrophobicContact CG2-CB 4.5Å; I738-Q748 PolarHBondContact O-N 2.97Å; I738-Y749 HydrophobicContact CB-CD2 4.24Å; I738-Y749 HydrophobicContact CD1-CD2 3.89Å; I738-Y749 HydrophobicContact CD1-CG 4.23Å; I738-Y749 PolarHBondContact N-O 2.81Å; I738-Y749 PolarHBondContact O-N 2.84Å; I738-F766 HydrophobicContact CD1-CE1 4.36Å; I738-F766 HydrophobicContact CD1-CZ 3.72Å; I738-F766 HydrophobicContact CG1-CZ 4.25Å; I738-I787 HydrophobicContact CD1-CD1 3.86Å |
| 739 | I | 82.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.1 | -174.2 | -57.5 | 170.9 | 0 | 0 | 0 | 107.9 | L684 I709 L710 S726 L727 A729 Q737 V745 S746 L747 | L684-I739 HydrophobicContact CD1-CD1 4.14Å; I709-I739 HydrophobicContact CG2-CD1 4.49Å; L710-I739 HydrophobicContact CD2-CD1 3.64Å; S726-I739 CarbonylContact C-O 3.58Å; S726-I739 WeakPolarHBondContact CA-O 3.49Å; L727-I739 HydrophobicContact CB-CB 4.38Å; L727-I739 PolarHBondContact N-O 3.46Å; L727-I739 PolarHBondContact O-N 2.66Å; A729-I739 HydrophobicContact CB-CD1 4.15Å; Q737-I739 HydrophobicContact CB-CG1 4.41Å; I739-V745 HydrophobicContact CG2-CG1 3.4Å; I739-S746 CarbonylContact C-O 3.58Å; I739-S746 WeakPolarHBondContact CA-O 3.37Å; I739-L747 HydrophobicContact CG1-CD1 4.02Å |
| 740 | N | 77.9 | Confident | 76.3 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.3 | 175.7 | -170.5 | 15.4 | 0 | 0 | 0 | 110.3 | N725 N742 V745 S746 Q748 | N725-N740 WeakPolarHBondContact CB-OD1 3.47Å; N725-N740 PolarHBondContact O-OD1 3.16Å; N740-N742 PolarHBondContact ND2-ND2 3.33Å; N740-N742 VanDerWaalsContact ND2-ND2 3.19Å; N740-N742 PolarHBondContact OD1-OD1 3.09Å; N740-V745 WeakPolarHBondContact O-CA 3.34Å; N740-S746 PolarHBondContact N-O 2.97Å; N740-S746 PolarHBondContact O-N 3.1Å; N740-Q748 HydrophobicContact CB-CG 3.89Å |
| 741 | I | 70.3 | Confident | 76 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 81.9 | -177.3 | -58.8 | 154.9 | 0 | 0 | 0 | 107.9 | W661 I675 N725 L727 | W661-I741 HydrophobicContact CE3-CD1 3.96Å; W661-I741 HydrophobicContact CH2-CB 4.36Å; W661-I741 HydrophobicContact CH2-CD1 3.5Å; W661-I741 HydrophobicContact CZ2-CB 4.42Å; W661-I741 HydrophobicContact CZ2-CD1 4.26Å; W661-I741 HydrophobicContact CZ3-CD1 3.33Å; I675-I741 HydrophobicContact CD1-CD1 3.35Å; I675-I741 HydrophobicContact CD1-CG1 4.3Å; I675-I741 HydrophobicContact CD1-CG2 4.47Å; N725-I741 WeakPolarHBondContact CB-O 3.24Å; N725-I741 PolarHBondContact O-N 3Å; L727-I741 HydrophobicContact CB-CD1 3.59Å; L727-I741 HydrophobicContact CB-CG1 4.48Å; L727-I741 HydrophobicContact CD2-CD1 4.09Å; L727-I741 HydrophobicContact CG-CD1 4.38Å |
| 742 | N | 67.6 | Low | 76 | Confident | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -103.6 | -159.7 | 168 | -72.7 | -17.3 | 0 | 0 | 0 | 108.9 | N725 N740 T744 | N725-N742 VanDerWaalsContact CB-OD1 3.3Å; N725-N742 WeakPolarHBondContact CB-OD1 3.49Å; N725-N742 PolarHBondContact ND2-OD1 2.84Å; N740-N742 PolarHBondContact ND2-ND2 3.33Å; N740-N742 VanDerWaalsContact ND2-ND2 3.19Å; N740-N742 PolarHBondContact OD1-OD1 3.09Å; N742-T744 PolarHBondContact O-N 2.93Å |
| 743 | E | 57.7 | Low | 76.3 | Confident | 111 Ų | 111 | 33.5 Ų | 33.5 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -48.2 | -31.5 | 168.9 | -67 | -179.3 | 174 | 0 | 0 | 113 | F800 | E743-F800 HydrophobicContact CB-CZ 4.44Å; E743-F800 HydrophobicContact CG-CD2 4.29Å; E743-F800 HydrophobicContact CG-CE2 3.91Å; E743-F800 HydrophobicContact CG-CZ 4.18Å |
| 744 | T | 58.4 | Low | 76.8 | Confident | 96 Ų | 96 | 31.1 Ų | 31.1 | 59% | 0.589 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -120.5 | 132.9 | 169.4 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | N742 | N742-T744 PolarHBondContact O-N 2.93Š|
| 745 | V | 71.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.8 | 172.6 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | L684 I686 Y707 I709 I739 N740 | L684-V745 HydrophobicContact CD2-CG1 4.23Å; L684-V745 HydrophobicContact CD2-CG2 4.47Å; I686-V745 HydrophobicContact CD1-CG2 3.82Å; Y707-V745 HydrophobicContact CD1-CB 3.82Å; Y707-V745 HydrophobicContact CD1-CG2 4.29Å; Y707-V745 HydrophobicContact CD2-CB 3.93Å; Y707-V745 HydrophobicContact CD2-CG2 3.59Å; Y707-V745 HydrophobicContact CE1-CB 3.87Å; Y707-V745 HydrophobicContact CE1-CG2 4.09Å; Y707-V745 HydrophobicContact CE2-CB 3.99Å; Y707-V745 HydrophobicContact CE2-CG2 3.35Å; Y707-V745 HydrophobicContact CG-CB 3.84Å; Y707-V745 HydrophobicContact CG-CG1 4.42Å; Y707-V745 HydrophobicContact CG-CG2 4.06Å; I709-V745 HydrophobicContact CD1-CB 4.12Å; I709-V745 HydrophobicContact CD1-CG1 3.65Å; I739-V745 HydrophobicContact CG2-CG1 3.4Å; N740-V745 WeakPolarHBondContact O-CA 3.34Å |
| 746 | S | 73.6 | Confident | 76.3 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 139.6 | -178.7 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | I739 N740 Q748 | I739-S746 CarbonylContact C-O 3.58Å; I739-S746 WeakPolarHBondContact CA-O 3.37Å; N740-S746 PolarHBondContact N-O 2.97Å; N740-S746 PolarHBondContact O-N 3.1Å; S746-Q748 PolarHBondContact O-N 2.8Å |
| 747 | L | 74.2 | Confident | 75.7 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 37% | 0.372 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.1 | 173.2 | -174 | 66.4 | 0 | 0 | 0 | 110.1 | I709 Q737 I739 | I709-L747 HydrophobicContact CG2-CB 3.67Å; I709-L747 HydrophobicContact CG2-CD1 4.07Å; I709-L747 HydrophobicContact CG2-CD2 4.46Å; I709-L747 HydrophobicContact CG2-CG 4.28Å; Q737-L747 HydrophobicContact CB-CD1 3.83Å; Q737-L747 HydrophobicContact CG-CD1 4.11Å; I739-L747 HydrophobicContact CG1-CD1 4.02Å |
| 748 | Q | 71.3 | Confident | 75 | Confident | 61 Ų | 61 | 37.6 Ų | 37.6 | 29% | 0.285 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -44.7 | 176.5 | -72 | -174.2 | -29.8 | 0 | 0 | 112.2 | I738 N740 S746 | I738-Q748 HydrophobicContact CG2-CB 4.5Å; I738-Q748 PolarHBondContact O-N 2.97Å; N740-Q748 HydrophobicContact CB-CG 3.89Å; S746-Q748 PolarHBondContact O-N 2.8Å |
| 749 | Y | 76.9 | Confident | 74.5 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 144.8 | -172 | -69.9 | -77.6 | 0 | 0 | 0 | 111.6 | M7 M9 Q737 I738 I787 A791 | M7-Y749 HydrophobicContact CB-CE1 3.6Å; M7-Y749 WeakPolarHBondContact O-CE1 3.41Å; M7-Y749 PolarHBondContact SD-OH 3.25Å; M9-Y749 HydrophobicContact CE-CD1 4.01Å; M9-Y749 HydrophobicContact CE-CG 4.13Å; M9-Y749 HydrophobicContact CG-CD1 4.02Å; M9-Y749 HydrophobicContact CG-CE1 4.42Å; M9-Y749 HydrophobicContact SD-CD1 4.24Å; M9-Y749 HydrophobicContact SD-CG 4.32Å; Q737-Y749 CarbonylContact C-O 3.58Å; Q737-Y749 VanDerWaalsContact CA-O 3.27Å; Q737-Y749 WeakPolarHBondContact CA-O 2.9Å; I738-Y749 HydrophobicContact CB-CD2 4.24Å; I738-Y749 HydrophobicContact CD1-CD2 3.89Å; I738-Y749 HydrophobicContact CD1-CG 4.23Å; I738-Y749 PolarHBondContact N-O 2.81Å; I738-Y749 PolarHBondContact O-N 2.84Å; Y749-I787 HydrophobicContact CE2-CG2 4.27Å; Y749-A791 HydrophobicContact CE2-CB 4.04Å; Y749-A791 WeakPolarHBondContact OH-CB 3.43Å |
| 750 | S | 80.8 | Confident | 74.3 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 131.5 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | Q711 V736 | Q711-S750 PolarHBondContact NE2-OG 2.74Å; V736-S750 VanDerWaalsContact O-CA 3.26Å; V736-S750 WeakPolarHBondContact O-CA 3.28Å |
| 751 | I | 81.4 | Confident | 74.7 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 146.9 | 177.5 | -171.2 | 162.1 | 0 | 0 | 0 | 110.1 | M9 F11 S735 V736 I753 | M9-I751 HydrophobicContact CB-CD1 4.04Å; M9-I751 HydrophobicContact CE-CB 3.59Å; M9-I751 HydrophobicContact CE-CG2 3.31Å; M9-I751 HydrophobicContact SD-CG2 4.08Å; F11-I751 HydrophobicContact CE2-CD1 3.95Å; F11-I751 HydrophobicContact CZ-CD1 4.17Å; S735-I751 WeakPolarHBondContact CA-O 3.49Å; V736-I751 HydrophobicContact CB-CG2 4.27Å; V736-I751 PolarHBondContact N-O 3.19Å; V736-I751 PolarHBondContact O-N 3.36Å; I751-I753 HydrophobicContact CG1-CG1 4.31Å; I751-I753 HydrophobicContact CG2-CD1 3.91Å; I751-I753 HydrophobicContact CG2-CG1 3.93Å |
| 752 | N | 81.8 | Confident | 75.5 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.4 | 169.3 | -62 | -27.5 | 0 | 0 | 0 | 107.8 | H52 K56 G734 S735 | H52-N752 PolarHBondContact CE1-O 3.23Å; H52-N752 PolarHBondContact NE2-O 3.42Å; K56-N752 HydrophobicContact CB-CB 4.48Å; G734-N752 CarbonylContact O-C 3.56Å; G734-N752 WeakPolarHBondContact O-CA 3.39Å; S735-N752 WeakPolarHBondContact CB-OD1 3.36Å |
| 753 | I | 83.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -119.9 | -37.7 | -176.4 | -61.4 | 166.2 | 0 | 0 | 0 | 111.1 | F11 P36 G734 V736 I751 T775 L781 A783 V785 | F11-I753 HydrophobicContact CE1-CB 4.37Å; F11-I753 HydrophobicContact CE1-CG1 4.09Å; F11-I753 HydrophobicContact CE1-CG2 3.75Å; F11-I753 HydrophobicContact CZ-CB 4.38Å; F11-I753 HydrophobicContact CZ-CG1 3.95Å; F11-I753 HydrophobicContact CZ-CG2 4.21Å; P36-I753 WeakPolarHBondContact CG-O 3.42Å; G734-I753 PolarHBondContact O-N 3.06Å; V736-I753 HydrophobicContact CB-CD1 4.5Å; V736-I753 HydrophobicContact CG2-CD1 3.77Å; I751-I753 HydrophobicContact CG1-CG1 4.31Å; I751-I753 HydrophobicContact CG2-CD1 3.91Å; I751-I753 HydrophobicContact CG2-CG1 3.93Å; I753-T775 HydrophobicContact CD1-CG2 3.72Å; I753-T775 WeakPolarHBondContact CG2-OG1 3.36Å; I753-L781 HydrophobicContact CG2-CD2 4.2Å; I753-L781 WeakPolarHBondContact O-CD2 3.42Å; I753-A783 HydrophobicContact CG2-CB 3.61Å; I753-V785 HydrophobicContact CD1-CG2 3.75Å; I753-V785 HydrophobicContact CG1-CG2 4.28Å | ||
| 754 | H | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -111.3 | 162.4 | -174.6 | -65.3 | -95.5 | 0 | 0 | 0 | 111.8 | G734 I761 T775 C776 G777 D779 L781 | G734-H754 PolarHBondContact O-N 3.36Å; H754-I761 HydrophobicContact CB-CG1 4.23Å; H754-I761 VanDerWaalsContact CD2-CG1 3.49Å; H754-I761 WeakPolarHBondContact CD2-CG1 3.24Å; H754-T775 WeakPolarHBondContact NE2-CB 3.33Å; H754-T775 PolarHBondContact NE2-OG1 3.35Å; H754-C776 VanDerWaalsContact CE1-C 3.41Å; H754-G777 PolarHBondContact CE1-N 2.65Å; H754-G777 WeakPolarHBondContact ND1-CA 3.08Å; H754-D779 WeakPolarHBondContact CA-OD2 3.43Å; H754-D779 VanDerWaalsContact CB-OD2 3.28Å; H754-D779 WeakPolarHBondContact CB-OD2 3.33Å; H754-D779 IonicContact CE1-OD1 2.92Å; H754-D779 IonicContact CG-OD1 2.58Å; H754-D779 IonicContact CG-OD2 2.78Å; H754-D779 IonicContact ND1-OD1 3.25Å; H754-D779 PolarHBondContact ND1-OD1 2.71Å; H754-D779 IonicContact ND1-OD2 3.73Å; H754-D779 PolarHBondContact ND1-OD2 3.01Å; H754-L781 PolarHBondContact CE1-O 2.95Å; H754-L781 VanDerWaalsContact CE1-O 3.26Å |
| 755 | E | 78.9 | Confident | 79.2 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | trans | -72.5 | 133.8 | 174.9 | -61.5 | -179.8 | 166.1 | 0 | 0 | 111.4 | K33 N757 S758 G760 D779 | K33-E755 IonicContact NZ-OE1 2.71Å; K33-E755 PolarHBondContact NZ-OE1 2.76Å; E755-N757 VanDerWaalsContact C-N 3.35Å; E755-N757 PolarHBondContact O-N 2.88Å; E755-S758 PolarHBondContact O-OG 3.08Å; E755-S758 VanDerWaalsContact O-OG 3.05Å; E755-G760 WeakPolarHBondContact O-CA 3.44Å; E755-G760 PolarHBondContact O-N 2.84Å; E755-D779 PolarHBondContact N-OD2 3.49Å | ||
| 756 | S | 73.5 | Confident | 79.8 | Confident | 21 Ų | 21 | 36.3 Ų | 36.3 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -64.5 | -33.6 | 177 | 46.3 | 0 | 0 | 0 | 0 | 114 | K56 D733 S758 | K56-S756 WeakPolarHBondContact O-CB 3.5Å; K56-S756 PolarHBondContact O-N 2.78Å; K56-S756 PolarHBondContact O-OG 3.44Å; D733-S756 WeakPolarHBondContact O-CA 3.15Å; D733-S756 WeakPolarHBondContact O-CB 3.43Å; S756-S758 PolarHBondContact O-N 2.64Å |
| 757 | N | 73.3 | Confident | 80.1 | Confident | 100 Ų | 100 | 34.1 Ų | 34.1 | 54% | 0.535 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -77.6 | -4 | -174.2 | -65.1 | -1.1 | 0 | 0 | 0 | 114 | E755 | E755-N757 VanDerWaalsContact C-N 3.35Å; E755-N757 PolarHBondContact O-N 2.88Å |
| 758 | S | 70.8 | Confident | 79.9 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -119.5 | 26.2 | -170.2 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | E755 S756 G760 G778 D779 | E755-S758 PolarHBondContact O-OG 3.08Å; E755-S758 VanDerWaalsContact O-OG 3.05Å; S756-S758 PolarHBondContact O-N 2.64Å; S758-G760 VanDerWaalsContact C-N 3.3Å; S758-G778 CarbonylContact O-C 3.52Å; S758-G778 WeakPolarHBondContact O-CA 3.4Å; S758-D779 PolarHBondContact O-N 2.82Å; S758-D779 VanDerWaalsContact OG-CB 3.24Å; S758-D779 WeakPolarHBondContact OG-CB 3.34Å; S758-D779 PolarHBondContact OG-N 2.79Å |
| 759 | R | 72.1 | Confident | 79.8 | Confident | 147 Ų | 147 | 40.5 Ų | 40.5 | 56% | 0.555 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 14.7 | -171.6 | -54.8 | -178 | 172.7 | 175.8 | -3.5 | 114.5 | M732 I761 | M732-R759 CarbonylContact O-C 3.31Å; M732-R759 VanDerWaalsContact O-C 3.24Å; M732-R759 HydrophobicContact SD-CB 3.83Å; R759-I761 PolarHBondContact O-N 2.86Å |
| 760 | G | 79.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | 45.3 | -132.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | M732 E755 S758 G777 G778 | M732-G760 WeakPolarHBondContact O-CA 3.46Å; M732-G760 PolarHBondContact O-N 2.82Å; E755-G760 WeakPolarHBondContact O-CA 3.44Å; E755-G760 PolarHBondContact O-N 2.84Å; S758-G760 VanDerWaalsContact C-N 3.3Å; G760-G777 CarbonylContact O-C 3.49Å; G760-G777 WeakPolarHBondContact O-CA 3.11Å; G760-G778 PolarHBondContact O-N 3.27Å | ||
| 761 | I | 86.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.6 | -175.4 | -44 | -163.4 | 0 | 0 | 0 | 111 | Y730 S731 V736 H754 R759 A764 | Y730-I761 HydrophobicContact CD2-CB 3.99Å; Y730-I761 HydrophobicContact CD2-CG2 3.65Å; Y730-I761 HydrophobicContact CE2-CG2 4.39Å; Y730-I761 HydrophobicContact CG-CG2 4.17Å; S731-I761 PolarHBondContact O-N 3.47Å; S731-I761 VanDerWaalsContact O-N 3.1Å; V736-I761 HydrophobicContact CB-CD1 4.44Å; V736-I761 HydrophobicContact CG2-CD1 3.18Å; H754-I761 HydrophobicContact CB-CG1 4.23Å; H754-I761 VanDerWaalsContact CD2-CG1 3.49Å; H754-I761 WeakPolarHBondContact CD2-CG1 3.24Å; R759-I761 PolarHBondContact O-N 2.86Å; I761-A764 HydrophobicContact CG2-CB 4.22Å |
| 762 | I | 86.4 | Confident | 79.6 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -42.8 | 179.4 | -66.5 | 180 | 0 | 0 | 0 | 111 | F452 V453 K717 C776 G778 | F452-I762 WeakPolarHBondContact O-CD1 3.47Å; V453-I762 VanDerWaalsContact O-CG2 3.28Å; V453-I762 WeakPolarHBondContact O-CG2 3.45Å; K717-I762 PolarHBondContact NZ-O 2.79Å; I762-C776 PolarHBondContact N-O 3.29Å; I762-G778 VanDerWaalsContact CD1-N 3.34Å |
| 763 | A | 87.5 | Confident | 79.9 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M455 C776 | M455-A763 HydrophobicContact CB-CB 4.15Å; M455-A763 HydrophobicContact CE-CB 4.41Å; A763-C776 PolarHBondContact N-O 2.62Å; A763-C776 PolarHBondContact O-N 3.22Å |
| 764 | A | 89.7 | Confident | 80.2 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 129.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L728 Y730 I761 L773 I774 T775 | L728-A764 HydrophobicContact CD2-CB 3.86Å; Y730-A764 HydrophobicContact CD1-CB 4.03Å; Y730-A764 HydrophobicContact CE1-CB 4.38Å; Y730-A764 HydrophobicContact CG-CB 4.13Å; I761-A764 HydrophobicContact CG2-CB 4.22Å; A764-L773 HydrophobicContact CB-CD1 4.41Å; A764-I774 CarbonylContact C-O 3.57Å; A764-I774 VanDerWaalsContact CA-O 3.3Å; A764-I774 WeakPolarHBondContact CA-O 3.23Å; A764-T775 HydrophobicContact CB-CG2 3.87Å |
| 765 | E | 85.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 38.2 Ų | 38.2 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141 | -175.7 | -162.5 | -179.3 | 175.5 | 0 | 0 | 111.2 | M455 G456 L457 I774 | M455-E765 HydrophobicContact CE-CB 4.34Å; G456-E765 WeakPolarHBondContact CA-OE2 3.14Å; L457-E765 HydrophobicContact CD1-CB 4.12Å; L457-E765 HydrophobicContact CD1-CG 4.03Å; L457-E765 HydrophobicContact CG-CB 4.39Å; L457-E765 HydrophobicContact CG-CG 4.37Å; L457-E765 PolarHBondContact N-OE2 3.32Å; E765-I774 PolarHBondContact N-O 3.3Å; E765-I774 PolarHBondContact O-N 3.08Å |
| 766 | F | 84.6 | Confident | 80.9 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 10% | 0.101 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 141 | 174.3 | -77.3 | -96 | 0 | 0 | 0 | 110.9 | L457 I721 L728 I738 L770 L773 I787 I792 | L457-F766 WeakPolarHBondContact CD1-O 3.33Å; I721-F766 HydrophobicContact CD1-CD2 3.96Å; I721-F766 HydrophobicContact CD1-CE2 3.25Å; I721-F766 HydrophobicContact CD1-CZ 3.59Å; I721-F766 HydrophobicContact CG1-CD2 3.98Å; I721-F766 HydrophobicContact CG1-CE2 3.7Å; I721-F766 HydrophobicContact CG1-CZ 4.49Å; L728-F766 HydrophobicContact CB-CE2 4.31Å; L728-F766 HydrophobicContact CD1-CE2 3.94Å; L728-F766 HydrophobicContact CD1-CZ 4.42Å; L728-F766 HydrophobicContact CD2-CD2 4.31Å; L728-F766 HydrophobicContact CD2-CE2 4Å; L728-F766 HydrophobicContact CG-CE2 4.31Å; I738-F766 HydrophobicContact CD1-CE1 4.36Å; I738-F766 HydrophobicContact CD1-CZ 3.72Å; I738-F766 HydrophobicContact CG1-CZ 4.25Å; F766-L770 HydrophobicContact CB-CD2 3.9Å; F766-L770 HydrophobicContact CD1-CD2 4.28Å; F766-L770 HydrophobicContact CG-CD2 4.15Å; F766-L773 HydrophobicContact CD1-CB 4.47Å; F766-L773 HydrophobicContact CD1-CD1 4.42Å; F766-L773 HydrophobicContact CD2-CD1 3.8Å; F766-L773 HydrophobicContact CE1-CB 4.43Å; F766-L773 HydrophobicContact CE1-CD1 4.45Å; F766-L773 HydrophobicContact CE2-CD1 3.79Å; F766-L773 HydrophobicContact CG-CD1 4.12Å; F766-L773 HydrophobicContact CZ-CD1 4.13Å; F766-I787 HydrophobicContact CD1-CD1 4.21Å; F766-I787 HydrophobicContact CE1-CD1 3.33Å; F766-I787 HydrophobicContact CZ-CD1 4.01Å; F766-I792 HydrophobicContact CD1-CD1 4.45Å; F766-I792 HydrophobicContact CE1-CD1 3.63Å; F766-I792 HydrophobicContact CZ-CD1 4.01Å |
| 767 | C | 78.9 | Confident | 81.5 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | trans | -64.4 | 153.5 | 162.2 | -60 | 0 | 0 | 0 | 0 | 110 | D769 L770 S772 | C767-D769 PolarHBondContact O-N 2.79Å; C767-L770 WeakPolarHBondContact O-CA 3.41Å; C767-L770 PolarHBondContact O-N 3.46Å; C767-S772 WeakPolarHBondContact CB-OG 3.43Å; C767-S772 PolarHBondContact N-O 2.93Å; C767-S772 PolarHBondContact SG-OG 3.22Å | ||
| 768 | K | 69.5 | Low | 81.8 | Confident | 149 Ų | 149 | 31.6 Ų | 31.6 | 65% | 0.648 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -33 | -178.6 | -84.5 | -174 | 173.3 | 173.2 | 0 | 114.6 | T459 L770 | T459-K768 HydrophobicContact CG2-CD 3.84Å; T459-K768 HydrophobicContact CG2-CG 3.93Å; T459-K768 WeakPolarHBondContact OG1-CE 3.33Å; T459-K768 PolarHBondContact OG1-NZ 3.39Å; K768-L770 PolarHBondContact O-N 3.29Å; K768-L770 VanDerWaalsContact O-N 3.15Å |
| 769 | D | 68.9 | Low | 82 | Confident | 118 Ų | 118 | 31.3 Ų | 31.3 | 63% | 0.631 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -5.3 | 179 | -51.8 | -21 | 0 | 0 | 0 | 113.5 | C767 N771 | C767-D769 PolarHBondContact O-N 2.79Å; D769-N771 HydrophobicContact CB-CB 4.26Å; D769-N771 VanDerWaalsContact O-CG 3.3Å; D769-N771 PolarHBondContact O-N 2.92Å; D769-N771 PolarHBondContact O-OD1 2.85Å |
| 770 | L | 73.4 | Confident | 82.3 | Confident | 48 Ų | 48 | 24.5 Ų | 24.5 | 25% | 0.251 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 53.7 | 5.6 | -171.8 | -62.2 | 174.4 | 0 | 0 | 0 | 115.1 | I721 T724 F766 C767 K768 I792 | I721-L770 HydrophobicContact CG2-CD2 3.66Å; T724-L770 HydrophobicContact CG2-CD1 3.96Å; F766-L770 HydrophobicContact CB-CD2 3.9Å; F766-L770 HydrophobicContact CD1-CD2 4.28Å; F766-L770 HydrophobicContact CG-CD2 4.15Å; C767-L770 WeakPolarHBondContact O-CA 3.41Å; C767-L770 PolarHBondContact O-N 3.46Å; K768-L770 PolarHBondContact O-N 3.29Å; K768-L770 VanDerWaalsContact O-N 3.15Å; L770-I792 HydrophobicContact CD1-CG2 4.32Å |
| 771 | N | 78.8 | Confident | 82.6 | Confident | 42 Ų | 42 | 24.6 Ų | 24.6 | 23% | 0.225 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -89 | -16.2 | -178.5 | -71.1 | -26.5 | 0 | 0 | 0 | 113.5 | D769 K786 I787 E789 | D769-N771 HydrophobicContact CB-CB 4.26Å; D769-N771 VanDerWaalsContact O-CG 3.3Å; D769-N771 PolarHBondContact O-N 2.92Å; D769-N771 PolarHBondContact O-OD1 2.85Å; N771-K786 WeakPolarHBondContact O-CA 3.47Å; N771-I787 PolarHBondContact O-N 2.77Å; N771-I787 VanDerWaalsContact O-O 3.06Å; N771-E789 WeakPolarHBondContact ND2-CG 3.4Å |
| 772 | S | 83.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132.8 | 178.3 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | C767 R784 V785 | C767-S772 WeakPolarHBondContact CB-OG 3.43Å; C767-S772 PolarHBondContact N-O 2.93Å; C767-S772 PolarHBondContact SG-OG 3.22Å; S772-R784 PolarHBondContact OG-NE 2.97Å; S772-R784 PolarHBondContact OG-NH2 2.99Å; S772-V785 CarbonylContact C-O 3.58Å; S772-V785 VanDerWaalsContact CA-O 3.26Å; S772-V785 WeakPolarHBondContact CA-O 3.31Å |
| 773 | L | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.5 | 174.4 | 178.4 | 74.1 | 0 | 0 | 0 | 109.1 | L728 V736 A764 F766 T775 R784 V785 I787 | L728-L773 HydrophobicContact CD1-CD1 4.19Å; L728-L773 HydrophobicContact CD1-CD2 4.35Å; L728-L773 HydrophobicContact CD2-CD1 3.92Å; V736-L773 HydrophobicContact CB-CD2 4.49Å; V736-L773 HydrophobicContact CG1-CD2 3.77Å; V736-L773 HydrophobicContact CG2-CD2 4.29Å; A764-L773 HydrophobicContact CB-CD1 4.41Å; F766-L773 HydrophobicContact CD1-CB 4.47Å; F766-L773 HydrophobicContact CD1-CD1 4.42Å; F766-L773 HydrophobicContact CD2-CD1 3.8Å; F766-L773 HydrophobicContact CE1-CB 4.43Å; F766-L773 HydrophobicContact CE1-CD1 4.45Å; F766-L773 HydrophobicContact CE2-CD1 3.79Å; F766-L773 HydrophobicContact CG-CD1 4.12Å; F766-L773 HydrophobicContact CZ-CD1 4.13Å; L773-T775 HydrophobicContact CD2-CG2 3.87Å; L773-T775 HydrophobicContact CG-CG2 3.99Å; L773-R784 CarbonylContact O-C 3.24Å; L773-R784 WeakPolarHBondContact O-CA 3.45Å; L773-V785 PolarHBondContact N-O 3.26Å; L773-V785 PolarHBondContact O-N 3.48Å; L773-I787 HydrophobicContact CB-CD1 4.06Å |
| 774 | I | 90.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.8 | 172.2 | -62.6 | 171.1 | 0 | 0 | 0 | 108.1 | M455 L457 C480 A764 E765 L782 A783 R784 | M455-I774 HydrophobicContact CE-CB 4.37Å; M455-I774 HydrophobicContact CE-CG2 3.99Å; M455-I774 WeakPolarHBondContact CE-O 3.34Å; M455-I774 HydrophobicContact SD-CG2 3.55Å; M455-I774 VanDerWaalsContact SD-CG2 3.55Å; L457-I774 HydrophobicContact CD1-CD1 4.2Å; L457-I774 HydrophobicContact CD2-CD1 3.47Å; L457-I774 VanDerWaalsContact CD2-CD1 3.47Å; L457-I774 HydrophobicContact CG-CD1 4.49Å; C480-I774 HydrophobicContact CB-CD1 4.01Å; A764-I774 CarbonylContact C-O 3.57Å; A764-I774 VanDerWaalsContact CA-O 3.3Å; A764-I774 WeakPolarHBondContact CA-O 3.23Å; E765-I774 PolarHBondContact N-O 3.3Å; E765-I774 PolarHBondContact O-N 3.08Å; I774-L782 HydrophobicContact CG2-CD1 3.86Å; I774-A783 CarbonylContact C-O 3.52Å; I774-A783 VanDerWaalsContact CA-O 3.29Å; I774-A783 WeakPolarHBondContact CA-O 3.45Å; I774-R784 HydrophobicContact CG1-CB 4.15Å; I774-R784 HydrophobicContact CG1-CG 3.9Å |
| 775 | T | 91.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.7 | 179.4 | 64.7 | 0 | 0 | 0 | 0 | 111 | V736 I753 H754 A764 L773 L782 A783 | V736-T775 HydrophobicContact CG2-CG2 4.07Å; I753-T775 HydrophobicContact CD1-CG2 3.72Å; I753-T775 WeakPolarHBondContact CG2-OG1 3.36Å; H754-T775 WeakPolarHBondContact NE2-CB 3.33Å; H754-T775 PolarHBondContact NE2-OG1 3.35Å; A764-T775 HydrophobicContact CB-CG2 3.87Å; L773-T775 HydrophobicContact CD2-CG2 3.87Å; L773-T775 HydrophobicContact CG-CG2 3.99Å; T775-L782 WeakPolarHBondContact O-CA 3.17Å; T775-A783 PolarHBondContact N-O 3.3Å; T775-A783 PolarHBondContact O-N 3.39Å |
| 776 | C | 88.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148 | 171 | 77.3 | 0 | 0 | 0 | 0 | 110.8 | F452 M455 H754 I762 A763 L781 L782 | F452-C776 HydrophobicContact CB-CB 4.25Å; F452-C776 HydrophobicContact CD2-CB 3.84Å; F452-C776 HydrophobicContact CE2-CB 4.36Å; F452-C776 HydrophobicContact CG-CB 4.05Å; M455-C776 HydrophobicContact CB-CB 4.24Å; M455-C776 VanDerWaalsContact CB-SG 3.56Å; M455-C776 HydrophobicContact SD-CB 3.81Å; H754-C776 VanDerWaalsContact CE1-C 3.41Å; I762-C776 PolarHBondContact N-O 3.29Å; A763-C776 PolarHBondContact N-O 2.62Å; A763-C776 PolarHBondContact O-N 3.22Å; C776-L781 WeakPolarHBondContact CA-O 3.42Å; C776-L782 HydrophobicContact CB-CD1 3.99Å |
| 777 | G | 85.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 168.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | F452 H754 G760 D779 G780 L781 | F452-G777 WeakPolarHBondContact CD2-O 3.41Å; H754-G777 PolarHBondContact CE1-N 2.65Å; H754-G777 WeakPolarHBondContact ND1-CA 3.08Å; G760-G777 CarbonylContact O-C 3.49Å; G760-G777 WeakPolarHBondContact O-CA 3.11Å; G777-D779 VanDerWaalsContact C-OD1 3.29Å; G777-D779 WeakPolarHBondContact CA-OD1 3.22Å; G777-D779 PolarHBondContact O-N 2.87Å; G777-G780 PolarHBondContact O-N 3.43Å; G777-L781 PolarHBondContact N-O 3.32Å |
| 778 | G | 78.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K18 S758 G760 I762 G780 | K18-G778 PolarHBondContact NZ-O 2.83Å; S758-G778 CarbonylContact O-C 3.52Å; S758-G778 WeakPolarHBondContact O-CA 3.4Å; G760-G778 PolarHBondContact O-N 3.27Å; I762-G778 VanDerWaalsContact CD1-N 3.34Å; G778-G780 PolarHBondContact O-N 3.19Å |
| 779 | D | 74.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.3 | 161.4 | 43.6 | 12.3 | 0 | 0 | 0 | 112.8 | K18 H754 E755 S758 G777 L781 | K18-D779 WeakPolarHBondContact CB-O 3.46Å; K18-D779 WeakPolarHBondContact CD-O 3.46Å; H754-D779 WeakPolarHBondContact CA-OD2 3.43Å; H754-D779 VanDerWaalsContact CB-OD2 3.28Å; H754-D779 WeakPolarHBondContact CB-OD2 3.33Å; H754-D779 IonicContact CE1-OD1 2.92Å; H754-D779 IonicContact CG-OD1 2.58Å; H754-D779 IonicContact CG-OD2 2.78Å; H754-D779 IonicContact ND1-OD1 3.25Å; H754-D779 PolarHBondContact ND1-OD1 2.71Å; H754-D779 IonicContact ND1-OD2 3.73Å; H754-D779 PolarHBondContact ND1-OD2 3.01Å; E755-D779 PolarHBondContact N-OD2 3.49Å; S758-D779 PolarHBondContact O-N 2.82Å; S758-D779 VanDerWaalsContact OG-CB 3.24Å; S758-D779 WeakPolarHBondContact OG-CB 3.34Å; S758-D779 PolarHBondContact OG-N 2.79Å; G777-D779 VanDerWaalsContact C-OD1 3.29Å; G777-D779 WeakPolarHBondContact CA-OD1 3.22Å; G777-D779 PolarHBondContact O-N 2.87Å; D779-L781 HydrophobicContact CB-CB 4.44Å; D779-L781 VanDerWaalsContact CG-CB 3.48Å; D779-L781 VanDerWaalsContact OD1-CB 3.23Å; D779-L781 WeakPolarHBondContact OD1-CB 3.49Å; D779-L781 PolarHBondContact OD1-N 2.99Å; D779-L781 VanDerWaalsContact OD1-N 3.16Å |
| 780 | G | 78.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 77.3 | 13.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G16 F452 G777 G778 | G16-G780 WeakPolarHBondContact CA-O 3.36Å; F452-G780 VanDerWaalsContact CE2-C 3.46Å; F452-G780 WeakPolarHBondContact CE2-O 3.16Å; G777-G780 PolarHBondContact O-N 3.43Å; G778-G780 PolarHBondContact O-N 3.19Å |
| 781 | L | 85.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -83.9 | 141.4 | 175.4 | -164.5 | 91.7 | 0 | 0 | 0 | 110.6 | V14 Q15 C34 F452 I753 H754 C776 G777 D779 A783 | V14-L781 HydrophobicContact CG1-CD1 3.47Å; V14-L781 VanDerWaalsContact CG1-CD1 3.47Å; V14-L781 HydrophobicContact CG1-CD2 4.09Å; V14-L781 HydrophobicContact CG1-CG 3.85Å; Q15-L781 CarbonylContact O-C 3.58Å; C34-L781 HydrophobicContact CB-CD1 3.79Å; C34-L781 WeakPolarHBondContact O-CD1 3.49Å; F452-L781 WeakPolarHBondContact CE2-O 3.42Å; I753-L781 HydrophobicContact CG2-CD2 4.2Å; I753-L781 WeakPolarHBondContact O-CD2 3.42Å; H754-L781 PolarHBondContact CE1-O 2.95Å; H754-L781 VanDerWaalsContact CE1-O 3.26Å; C776-L781 WeakPolarHBondContact CA-O 3.42Å; G777-L781 PolarHBondContact N-O 3.32Å; D779-L781 HydrophobicContact CB-CB 4.44Å; D779-L781 VanDerWaalsContact CG-CB 3.48Å; D779-L781 VanDerWaalsContact OD1-CB 3.23Å; D779-L781 WeakPolarHBondContact OD1-CB 3.49Å; D779-L781 PolarHBondContact OD1-N 2.99Å; D779-L781 VanDerWaalsContact OD1-N 3.16Å; L781-A783 HydrophobicContact CD2-CB 4.27Å | ||
| 782 | L | 88.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.1 | 168.2 | -176.6 | 69.3 | 0 | 0 | 0 | 107.2 | W13 Q15 F452 M455 T468 W478 I774 T775 C776 | W13-L782 HydrophobicContact CH2-CD2 3.72Å; W13-L782 HydrophobicContact CH2-CG 3.81Å; W13-L782 HydrophobicContact CZ3-CB 4.36Å; W13-L782 HydrophobicContact CZ3-CD2 3.89Å; W13-L782 HydrophobicContact CZ3-CG 3.79Å; Q15-L782 PolarHBondContact N-O 3.37Å; Q15-L782 PolarHBondContact O-N 3.18Å; F452-L782 HydrophobicContact CE2-CB 4.12Å; F452-L782 HydrophobicContact CZ-CB 4.19Å; M455-L782 HydrophobicContact SD-CD1 3.57Å; M455-L782 VanDerWaalsContact SD-CD1 3.57Å; T468-L782 HydrophobicContact CG2-CD1 4.02Å; T468-L782 HydrophobicContact CG2-CD2 4.31Å; W478-L782 HydrophobicContact CB-CD2 4.17Å; W478-L782 HydrophobicContact CD2-CD2 3.91Å; W478-L782 HydrophobicContact CG-CD2 3.67Å; I774-L782 HydrophobicContact CG2-CD1 3.86Å; T775-L782 WeakPolarHBondContact O-CA 3.17Å; C776-L782 HydrophobicContact CB-CD1 3.99Å |
| 783 | A | 88.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F11 V14 I753 I774 T775 L781 | F11-A783 HydrophobicContact CD1-CB 4.33Å; F11-A783 HydrophobicContact CE1-CB 4.18Å; V14-A783 HydrophobicContact CG1-CB 4.42Å; V14-A783 HydrophobicContact CG2-CB 4.04Å; I753-A783 HydrophobicContact CG2-CB 3.61Å; I774-A783 CarbonylContact C-O 3.52Å; I774-A783 VanDerWaalsContact CA-O 3.29Å; I774-A783 WeakPolarHBondContact CA-O 3.45Å; T775-A783 PolarHBondContact N-O 3.3Å; T775-A783 PolarHBondContact O-N 3.39Å; L781-A783 HydrophobicContact CD2-CB 4.27Å |
| 784 | R | 89.4 | Confident | 74.6 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.7 | 169.2 | -173.6 | 171.9 | -173.9 | -141.5 | -6.9 | 110.3 | E12 W13 C480 S772 L773 I774 | E12-R784 HydrophobicContact CB-CB 4.48Å; E12-R784 HydrophobicContact CB-CG 4.36Å; E12-R784 PolarHBondContact N-O 3.44Å; E12-R784 WeakPolarHBondContact OE2-CD 3.49Å; E12-R784 IonicContact OE2-CZ 3.69Å; E12-R784 IonicContact OE2-NE 2.87Å; E12-R784 PolarHBondContact OE2-NE 3.27Å; E12-R784 IonicContact OE2-NH1 2.76Å; E12-R784 PolarHBondContact OE2-NH1 3.48Å; E12-R784 IonicContact OE2-NH2 3.45Å; E12-R784 PolarHBondContact OE2-NH2 3.03Å; W13-R784 HydrophobicContact CD2-CB 3.88Å; W13-R784 VanDerWaalsContact CE2-CB 3.43Å; W13-R784 HydrophobicContact CE3-CB 4.48Å; W13-R784 HydrophobicContact CG-CB 4.29Å; W13-R784 HydrophobicContact CH2-CB 4.28Å; W13-R784 HydrophobicContact CZ2-CB 3.66Å; W13-R784 HydrophobicContact CZ2-CG 4.49Å; W13-R784 PolarHBondContact O-N 3.15Å; C480-R784 WeakPolarHBondContact O-CD 3.48Å; C480-R784 PolarHBondContact O-NE 3.02Å; C480-R784 PolarHBondContact O-NH1 3.35Å; S772-R784 PolarHBondContact OG-NE 2.97Å; S772-R784 PolarHBondContact OG-NH2 2.99Å; L773-R784 CarbonylContact O-C 3.24Å; L773-R784 WeakPolarHBondContact O-CA 3.45Å; I774-R784 HydrophobicContact CG1-CB 4.15Å; I774-R784 HydrophobicContact CG1-CG 3.9Å |
| 785 | V | 87.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.6 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | M9 F11 I753 S772 L773 | M9-V785 HydrophobicContact CB-CG1 3.6Å; M9-V785 HydrophobicContact CG-CG1 4.15Å; M9-V785 HydrophobicContact SD-CG1 4.21Å; F11-V785 HydrophobicContact CD1-CG2 3.73Å; F11-V785 HydrophobicContact CE1-CG2 3.65Å; F11-V785 HydrophobicContact CG-CG2 4.48Å; F11-V785 HydrophobicContact CZ-CG2 4.35Å; I753-V785 HydrophobicContact CD1-CG2 3.75Å; I753-V785 HydrophobicContact CG1-CG2 4.28Å; S772-V785 CarbonylContact C-O 3.58Å; S772-V785 VanDerWaalsContact CA-O 3.26Å; S772-V785 WeakPolarHBondContact CA-O 3.31Å; L773-V785 PolarHBondContact N-O 3.26Å; L773-V785 PolarHBondContact O-N 3.48Å |
| 786 | K | 82.8 | Confident | 69.3 | Low | 87 Ų | 87 | 51.7 Ų | 51.7 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.8 | 173.3 | -168.8 | 176 | -166.6 | 157.9 | 0 | 111.1 | T10 E12 N771 | T10-K786 PolarHBondContact N-O 3.13Å; T10-K786 PolarHBondContact O-N 2.97Å; E12-K786 HydrophobicContact CG-CB 3.73Å; E12-K786 WeakPolarHBondContact OE1-CD 3.23Å; N771-K786 WeakPolarHBondContact O-CA 3.47Å |
| 787 | I | 79 | Confident | 66.4 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -107.7 | 141.5 | 172.4 | -61.1 | 162.5 | 0 | 0 | 0 | 106.4 | M9 I738 Y749 F766 N771 L773 E789 A791 | M9-I787 HydrophobicContact CG-CG1 3.9Å; M9-I787 HydrophobicContact SD-CD1 4.37Å; M9-I787 HydrophobicContact SD-CG1 3.91Å; I738-I787 HydrophobicContact CD1-CD1 3.86Å; Y749-I787 HydrophobicContact CE2-CG2 4.27Å; F766-I787 HydrophobicContact CD1-CD1 4.21Å; F766-I787 HydrophobicContact CE1-CD1 3.33Å; F766-I787 HydrophobicContact CZ-CD1 4.01Å; N771-I787 PolarHBondContact O-N 2.77Å; N771-I787 VanDerWaalsContact O-O 3.06Å; L773-I787 HydrophobicContact CB-CD1 4.06Å; I787-E789 PolarHBondContact O-N 3.34Å; I787-A791 HydrophobicContact CG2-CB 4.13Å | ||
| 788 | R | 66.6 | Low | 63.7 | Low | 168 Ų | 168 | 61.4 Ų | 61.4 | 63% | 0.634 | 33% | 0.325 | S | S | * | . | trans | -61.8 | 138.8 | -178.5 | -100.6 | -175.6 | 175.2 | -175.8 | -2.7 | 111.3 | M7 G790 A791 | M7-R788 HydrophobicContact SD-CB 4.42Å; R788-G790 PolarHBondContact O-N 2.98Å; R788-A791 WeakPolarHBondContact O-CB 3.2Å; R788-A791 PolarHBondContact O-N 3.44Å | ||
| 789 | E | 54.6 | Low | 61.3 | Low | 153 Ų | 153 | 66.2 Ų | 66.2 | 72% | 0.715 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 131.2 | 172.1 | -78.3 | 169.8 | -166.1 | 0 | 0 | 111.6 | N771 I787 | N771-E789 WeakPolarHBondContact ND2-CG 3.4Å; I787-E789 PolarHBondContact O-N 3.34Å |
| 790 | G | 53.8 | Low | 59.2 | Low | 58 Ų | 58 | 69 Ų | 69 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 4.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R788 | R788-G790 PolarHBondContact O-N 2.98Š|
| 791 | A | 55.7 | Low | 57 | Low | 19 Ų | 19 | 72.9 Ų | 72.9 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -72.2 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y749 I787 R788 | Y749-A791 HydrophobicContact CE2-CB 4.04Å; Y749-A791 WeakPolarHBondContact OH-CB 3.43Å; I787-A791 HydrophobicContact CG2-CB 4.13Å; R788-A791 WeakPolarHBondContact O-CB 3.2Å; R788-A791 PolarHBondContact O-N 3.44Å |
| 792 | I | 52 | Low | 54.6 | Low | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -103.2 | 102.5 | 173.9 | -54.1 | 173.5 | 0 | 0 | 0 | 105.2 | T724 F766 L770 | T724-I792 HydrophobicContact CG2-CG2 3.57Å; F766-I792 HydrophobicContact CD1-CD1 4.45Å; F766-I792 HydrophobicContact CE1-CD1 3.63Å; F766-I792 HydrophobicContact CZ-CD1 4.01Å; L770-I792 HydrophobicContact CD1-CG2 4.32Å |
| 793 | T | 49.7 | Very low | 52 | Low | 102 Ų | 102 | 81.4 Ų | 81.4 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -96.4 | 141.4 | 178.9 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | S795 | T793-S795 PolarHBondContact O-N 2.99Š|
| 794 | E | 44.3 | Very low | 49.3 | Very low | 175 Ų | 175 | 91.9 Ų | 91.9 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 119.6 | 162.5 | -68.1 | 177.4 | 171 | 0 | 0 | 108.3 | ||
| 795 | S | 39.9 | Very low | 46.8 | Very low | 57 Ų | 57 | 93.5 Ų | 93.5 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 127.3 | -172.8 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | T793 | T793-S795 PolarHBondContact O-N 2.99Š|
| 796 | K | 31.7 | Very low | 44 | Very low | 205 Ų | 205 | 97.1 Ų | 97.1 | 89% | 0.891 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 139.6 | 162.7 | -76.1 | -177.7 | 177.8 | 178.5 | 0 | 110.9 | ||
| 797 | V | 27.8 | Very low | 41.6 | Very low | 134 Ų | 134 | 99.1 Ų | 99.1 | 81% | 0.812 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 127.6 | -170 | -175.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 798 | S | 28.5 | Very low | 39.4 | Very low | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 56% | 0.558 | S | S | . | * | trans | -143.2 | 134.6 | 154.5 | 57.4 | 0 | 0 | 0 | 0 | 109 | Y667 | Y667-S798 VanDerWaalsContact CD1-O 3.27Å; Y667-S798 WeakPolarHBondContact CD1-O 3.44Å; Y667-S798 WeakPolarHBondContact CE1-O 3.14Å | ||
| 799 | S | 28.5 | Very low | 37.9 | Very low | 101 Ų | 101 | 102.6 Ų | 102.6 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 133.1 | -169.2 | 43.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 800 | F | 30.4 | Very low | 36.9 | Very low | 64 Ų | 64 | 99.6 Ų | 99.6 | 28% | 0.281 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 140.5 | 164.3 | -101.8 | -105.1 | 0 | 0 | 0 | 110.4 | Y667 T670 E743 S802 | Y667-F800 HydrophobicContact CD1-CB 4.39Å; Y667-F800 AromaticContact CD1-CD2 3.5Å; Y667-F800 HydrophobicContact CD1-CD2 3.5Å; Y667-F800 HydrophobicContact CD1-CE2 4.28Å; Y667-F800 HydrophobicContact CD1-CG 4.41Å; Y667-F800 AromaticContact CD2-CD2 3.65Å; Y667-F800 HydrophobicContact CD2-CD2 3.65Å; Y667-F800 AromaticContact CD2-CE2 3.88Å; Y667-F800 HydrophobicContact CD2-CE2 3.88Å; Y667-F800 AromaticContact CE1-CD2 3.46Å; Y667-F800 HydrophobicContact CE1-CD2 3.46Å; Y667-F800 VanDerWaalsContact CE1-CD2 3.46Å; Y667-F800 AromaticContact CE1-CE2 3.87Å; Y667-F800 HydrophobicContact CE1-CE2 3.87Å; Y667-F800 AromaticContact CE2-CD2 3.65Å; Y667-F800 HydrophobicContact CE2-CD2 3.65Å; Y667-F800 AromaticContact CE2-CE2 3.46Å; Y667-F800 HydrophobicContact CE2-CE2 3.46Å; Y667-F800 VanDerWaalsContact CE2-CE2 3.46Å; Y667-F800 HydrophobicContact CG-CB 4.4Å; Y667-F800 AromaticContact CG-CD2 3.58Å; Y667-F800 HydrophobicContact CG-CD2 3.58Å; Y667-F800 HydrophobicContact CG-CE2 4.27Å; Y667-F800 HydrophobicContact CG-CG 4.36Å; Y667-F800 AromaticContact CZ-CD2 3.54Å; Y667-F800 AromaticContact CZ-CE2 3.43Å; Y667-F800 VanDerWaalsContact CZ-CE2 3.43Å; T670-F800 HydrophobicContact CG2-CB 3.83Å; T670-F800 HydrophobicContact CG2-CD1 4.22Å; T670-F800 HydrophobicContact CG2-CD2 4.47Å; T670-F800 HydrophobicContact CG2-CG 3.94Å; E743-F800 HydrophobicContact CB-CZ 4.44Å; E743-F800 HydrophobicContact CG-CD2 4.29Å; E743-F800 HydrophobicContact CG-CE2 3.91Å; E743-F800 HydrophobicContact CG-CZ 4.18Å; F800-S802 PolarHBondContact O-N 2.88Å |
| 801 | P | 32.2 | Very low | 36 | Very low | 85 Ų | 85 | 99.5 Ų | 99.5 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -70 | 129.9 | 177.4 | 25.6 | -29.6 | 0 | 0 | 0 | 111.4 | ||
| 802 | S | 34.3 | Very low | 34.9 | Very low | 68 Ų | 68 | 104.8 Ų | 104.8 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -58 | 139.2 | -176.7 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | F800 R804 S805 | F800-S802 PolarHBondContact O-N 2.88Å; S802-R804 PolarHBondContact O-N 3.12Å; S802-S805 PolarHBondContact O-N 2.78Å |
| 803 | L | 34.5 | Very low | 33.9 | Very low | 113 Ų | 113 | 108.9 Ų | 108.9 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -37.8 | -31.6 | -179.9 | -120.6 | 134.2 | 0 | 0 | 0 | 116.7 | H807 | L803-H807 PolarHBondContact O-N 2.94Å |
| 804 | R | 32.8 | Very low | 33 | Very low | 220 Ų | 220 | 110.7 Ų | 110.7 | 83% | 0.83 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.4 | -31.6 | -177.9 | -74.6 | -175.1 | 178.4 | 167.9 | 0.7 | 114.3 | S802 E808 | S802-R804 PolarHBondContact O-N 3.12Å; R804-E808 PolarHBondContact O-N 3.36Å |
| 805 | S | 35.5 | Very low | 32.2 | Very low | 59 Ų | 59 | 109.4 Ų | 109.4 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.5 | -32.3 | -177.3 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | S802 | S802-S805 PolarHBondContact O-N 2.78Å |
| 806 | L | 30.1 | Very low | 31.8 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 40% | 0.403 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -83.9 | -32.3 | -178.7 | -100.1 | 159.8 | 0 | 0 | 0 | 112 | E808 Q809 L810 | L806-E808 VanDerWaalsContact C-N 3.34Å; L806-E808 PolarHBondContact O-N 2.84Å; L806-Q809 CarbonylContact O-C 3.59Å; L806-Q809 PolarHBondContact O-N 2.65Å; L806-Q809 VanDerWaalsContact O-N 3.13Å; L806-L810 WeakPolarHBondContact O-CB 3.42Å; L806-L810 PolarHBondContact O-N 2.79Å |
| 807 | H | 32.1 | Very low | 31.6 | Very low | 128 Ų | 128 | 113 Ų | 113 | 59% | 0.593 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.7 | -39 | 175.1 | -142.9 | 81.5 | 0 | 0 | 0 | 111.5 | L803 Q809 L810 T811 | L803-H807 PolarHBondContact O-N 2.94Å; H807-Q809 VanDerWaalsContact C-N 3.33Å; H807-Q809 PolarHBondContact O-N 2.77Å; H807-L810 PolarHBondContact O-N 3.28Å; H807-T811 WeakPolarHBondContact O-CG2 3.13Å; H807-T811 PolarHBondContact O-N 3.41Å; H807-T811 PolarHBondContact O-OG1 3.05Å |
| 808 | E | 32.9 | Very low | 31.3 | Very low | 133 Ų | 133 | 111 Ų | 111 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -31.7 | 171.9 | -83.3 | -173.6 | 167.9 | 0 | 0 | 113.5 | R804 L806 T811 K812 | R804-E808 PolarHBondContact O-N 3.36Å; L806-E808 VanDerWaalsContact C-N 3.34Å; L806-E808 PolarHBondContact O-N 2.84Å; E808-T811 WeakPolarHBondContact CA-OG1 3.3Å; E808-T811 PolarHBondContact O-OG1 3.1Å; E808-T811 VanDerWaalsContact O-OG1 3.11Å; E808-K812 WeakPolarHBondContact O-CB 3.44Å; E808-K812 WeakPolarHBondContact O-CG 3.24Å; E808-K812 PolarHBondContact O-N 3.2Å |
| 809 | Q | 34.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 112.9 Ų | 112.9 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.6 | -34.5 | 174.6 | -76.9 | -179 | -18.7 | 0 | 0 | 112.2 | L806 H807 K812 L813 | L806-Q809 CarbonylContact O-C 3.59Å; L806-Q809 PolarHBondContact O-N 2.65Å; L806-Q809 VanDerWaalsContact O-N 3.13Å; H807-Q809 VanDerWaalsContact C-N 3.33Å; H807-Q809 PolarHBondContact O-N 2.77Å; Q809-K812 PolarHBondContact O-N 3.38Å; Q809-L813 WeakPolarHBondContact O-CG 3.31Å; Q809-L813 PolarHBondContact O-N 2.94Å |
| 810 | L | 34 | Very low | 30.8 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 47% | 0.466 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.6 | -37.6 | 176.5 | -102.7 | 149.4 | 0 | 0 | 0 | 112.4 | L806 H807 K812 L813 Q814 | L806-L810 WeakPolarHBondContact O-CB 3.42Å; L806-L810 PolarHBondContact O-N 2.79Å; H807-L810 PolarHBondContact O-N 3.28Å; L810-K812 VanDerWaalsContact C-N 3.33Å; L810-L813 CarbonylContact O-C 3.55Å; L810-L813 PolarHBondContact O-N 2.95Å; L810-Q814 WeakPolarHBondContact O-CB 3.28Å; L810-Q814 PolarHBondContact O-N 2.79Å |
| 811 | T | 34.2 | Very low | 30.5 | Very low | 56 Ų | 56 | 121.2 Ų | 121.2 | 34% | 0.344 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.6 | -39 | 171 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | H807 E808 L813 Q814 E815 | H807-T811 WeakPolarHBondContact O-CG2 3.13Å; H807-T811 PolarHBondContact O-N 3.41Å; H807-T811 PolarHBondContact O-OG1 3.05Å; E808-T811 WeakPolarHBondContact CA-OG1 3.3Å; E808-T811 PolarHBondContact O-OG1 3.1Å; E808-T811 VanDerWaalsContact O-OG1 3.11Å; T811-L813 VanDerWaalsContact C-N 3.3Å; T811-L813 PolarHBondContact O-N 2.9Å; T811-Q814 PolarHBondContact O-N 2.74Å; T811-E815 PolarHBondContact O-N 3.49Å |
| 812 | K | 32.8 | Very low | 30 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.4 | -31 | 171.9 | -79.2 | 175.3 | 178.8 | 171.5 | 0 | 113.3 | E808 Q809 L810 | E808-K812 WeakPolarHBondContact O-CB 3.44Å; E808-K812 WeakPolarHBondContact O-CG 3.24Å; E808-K812 PolarHBondContact O-N 3.2Å; Q809-K812 PolarHBondContact O-N 3.38Å; L810-K812 VanDerWaalsContact C-N 3.33Å |
| 813 | L | 32.6 | Very low | 29.4 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.7 | -30 | 175.4 | -79.2 | 166.7 | 0 | 0 | 0 | 113 | Q809 L810 T811 M816 | Q809-L813 WeakPolarHBondContact O-CG 3.31Å; Q809-L813 PolarHBondContact O-N 2.94Å; L810-L813 CarbonylContact O-C 3.55Å; L810-L813 PolarHBondContact O-N 2.95Å; T811-L813 VanDerWaalsContact C-N 3.3Å; T811-L813 PolarHBondContact O-N 2.9Å; L813-M816 PolarHBondContact O-N 2.87Å |
| 814 | Q | 30.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.2 | -35.4 | 172.8 | -81.8 | 178.8 | -30.5 | 0 | 0 | 111.7 | L810 T811 M816 K817 | L810-Q814 WeakPolarHBondContact O-CB 3.28Å; L810-Q814 PolarHBondContact O-N 2.79Å; T811-Q814 PolarHBondContact O-N 2.74Å; Q814-M816 VanDerWaalsContact C-N 3.26Å; Q814-M816 PolarHBondContact O-N 2.97Å; Q814-K817 PolarHBondContact O-N 3.29Å |
| 815 | E | 27.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66 | -24.8 | 171.6 | -76.4 | -179.1 | 165.4 | 0 | 0 | 113.2 | T811 S818 | T811-E815 PolarHBondContact O-N 3.49Å; E815-S818 PolarHBondContact O-OG 3.41Å |
| 816 | M | 29.8 | Very low | 27.7 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 74% | 0.744 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -3.8 | 178.2 | -74.2 | -171.4 | -156.7 | 0 | 0 | 114.9 | L813 Q814 | L813-M816 PolarHBondContact O-N 2.87Å; Q814-M816 VanDerWaalsContact C-N 3.26Å; Q814-M816 PolarHBondContact O-N 2.97Å |
| 817 | K | 27.9 | Very low | 27.4 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 11.7 | 179 | -75.4 | -172.2 | 176.7 | -179.4 | 0 | 114.7 | Q814 C819 | Q814-K817 PolarHBondContact O-N 3.29Å; K817-C819 VanDerWaalsContact C-N 3.3Å; K817-C819 PolarHBondContact O-N 3.35Å |
| 818 | S | 22.9 | Very low | 27.1 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -86.2 | 67.8 | 162.6 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | E815 | E815-S818 PolarHBondContact O-OG 3.41Š| ||
| 819 | C | 23.7 | Very low | 26.6 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | -162.8 | 118 | 162 | -94.9 | 0 | 0 | 0 | 0 | 109.8 | K817 | K817-C819 VanDerWaalsContact C-N 3.3Å; K817-C819 PolarHBondContact O-N 3.35Å | ||
| 820 | E | 22.2 | Very low | 26.1 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | 69.8 | 122.2 | 162.2 | -50.8 | -177.2 | 170.4 | 0 | 0 | 115.1 | ||||
| 821 | I | 24.2 | Very low | 25.5 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | cis | -148.7 | 124.8 | 39.2 | -71.6 | 172.3 | 0 | 0 | 0 | 109.1 | ||||
| 822 | T | 20.5 | Very low | 25.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -66.8 | 156.2 | 159.6 | 41 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 823 | Q | 22.4 | Very low | 24.7 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | 79.5 | 97.3 | 159.7 | -64.6 | 167.5 | 6.1 | 0 | 0 | 116.7 | ||||
| 824 | N | 24.3 | Very low | 24.3 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | -157.1 | 87.8 | 114.3 | -90.8 | -25.5 | 0 | 0 | 0 | 109.5 | |||||
| 825 | Q | 20.5 | Very low | 24 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -81 | 125.1 | 155.3 | -74.8 | 177.9 | -14.2 | 0 | 0 | 107.7 | ||||
| 826 | S | 22.8 | Very low | 23.8 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -174.8 | 108.2 | 137.8 | 52 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 827 | H | 23.2 | Very low | 23.4 | Very low | 169 Ų | 169 | 150 Ų | 150 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 96.2 | 138.5 | -58.4 | -76.2 | 0 | 0 | 0 | 119.6 | ||||
| 828 | L | 25.6 | Very low | 23.1 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | -141.8 | 69.6 | 127.8 | -80.4 | 179.9 | 0 | 0 | 0 | 109.1 | A830 | L828-A830 PolarHBondContact O-N 2.83Š| |||
| 829 | N | 22.3 | Very low | 23.1 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 100.2 | 148.8 | -84.8 | -18.3 | 0 | 0 | 0 | 106.5 | ||||
| 830 | A | 24.9 | Very low | 23.1 | Very low | 80 Ų | 80 | 147 Ų | 147 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -124.3 | 80.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | L828 I832 | L828-A830 PolarHBondContact O-N 2.83Å; A830-I832 PolarHBondContact O-N 3.41Å; A830-I832 VanDerWaalsContact O-N 3.16Å | ||
| 831 | N | 21.8 | Very low | 23.1 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -55.5 | 107.6 | 149.3 | -78.8 | -24.9 | 0 | 0 | 0 | 107.8 | ||||
| 832 | I | 24.2 | Very low | 23 | Very low | 149 Ų | 149 | 144 Ų | 144 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -169.1 | 93.2 | 151.9 | -80.6 | 133.7 | 0 | 0 | 0 | 101.7 | A830 | A830-I832 PolarHBondContact O-N 3.41Å; A830-I832 VanDerWaalsContact O-N 3.16Å | ||
| 833 | L | 25.7 | Very low | 23.2 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | -161.4 | 91.7 | 86.6 | -143.6 | 89.8 | 0 | 0 | 0 | 109.2 | K835 | L833-K835 HydrophobicContact CD2-CD 4.1Å; L833-K835 HydrophobicContact CD2-CG 4.28Å; L833-K835 HydrophobicContact CG-CG 4.43Å; L833-K835 PolarHBondContact O-N 2.99Å | |||
| 834 | Q | 22.5 | Very low | 23.2 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -69.8 | 105.4 | 150.9 | -86.2 | 177.8 | -23.8 | 0 | 0 | 107.1 | ||||
| 835 | K | 25.2 | Very low | 23.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | -121.2 | 94.4 | 156.1 | -87.3 | -172.3 | 176.3 | 179.9 | 0 | 108.1 | L833 | L833-K835 HydrophobicContact CD2-CD 4.1Å; L833-K835 HydrophobicContact CD2-CG 4.28Å; L833-K835 HydrophobicContact CG-CG 4.43Å; L833-K835 PolarHBondContact O-N 2.99Å | ||
| 836 | T | 22.3 | Very low | 23.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 23.3 | 115 | 140.6 | 53.3 | 0 | 0 | 0 | 0 | 117.8 | V838 | T836-V838 PolarHBondContact O-N 3Å; T836-V838 VanDerWaalsContact O-N 3.14Å | ||
| 837 | D | 21.5 | Very low | 23.2 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | 24.2 | 78.5 | 134.8 | -58.9 | -25 | 0 | 0 | 0 | 115.8 | ||||
| 838 | V | 23.1 | Very low | 23.2 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -118.2 | 106.1 | 145.4 | -176 | 0 | 0 | 0 | 0 | 104.5 | T836 | T836-V838 PolarHBondContact O-N 3Å; T836-V838 VanDerWaalsContact O-N 3.14Å | ||
| 839 | S | 21.7 | Very low | 23.2 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -34.9 | 128.3 | 165.6 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | I841 | S839-I841 PolarHBondContact O-N 3.28Š| ||
| 840 | P | 24.6 | Very low | 23.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -59.1 | 104.9 | 179.3 | 23.9 | -31.2 | 0 | 0 | 0 | 107.3 | L842 | P840-L842 PolarHBondContact O-N 3.05Š| ||
| 841 | I | 22.2 | Very low | 23.1 | Very low | 141 Ų | 141 | 135 Ų | 135 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -58.1 | 104.3 | 160.4 | -67.7 | 165.8 | 0 | 0 | 0 | 102.8 | S839 P843 | S839-I841 PolarHBondContact O-N 3.28Å; I841-P843 VanDerWaalsContact O-N 3.11Å | ||
| 842 | L | 21.8 | Very low | 23.2 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | -38.7 | 121.3 | 170.3 | -107.8 | 75.8 | 0 | 0 | 0 | 107.1 | P840 H844 | P840-L842 PolarHBondContact O-N 3.05Å; L842-H844 PolarHBondContact O-N 2.61Å | ||
| 843 | P | 23.5 | Very low | 23.3 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -59.1 | 111.7 | 165 | 23.7 | -28.5 | 0 | 0 | 0 | 105.6 | I841 Q845 | I841-P843 VanDerWaalsContact O-N 3.11Å; P843-Q845 VanDerWaalsContact C-N 3.27Å; P843-Q845 PolarHBondContact O-N 2.85Å | ||
| 844 | H | 23.6 | Very low | 23.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | -53 | 99.1 | 168.5 | -87.6 | -71.8 | 0 | 0 | 0 | 107.6 | L842 S846 | L842-H844 PolarHBondContact O-N 2.61Å; H844-S846 PolarHBondContact O-N 3.29Å | ||
| 845 | Q | 23.5 | Very low | 23.2 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 23.3 | 68.4 | 143 | -66.7 | 175.7 | -18.6 | 0 | 0 | 114.7 | P843 G847 | P843-Q845 VanDerWaalsContact C-N 3.27Å; P843-Q845 PolarHBondContact O-N 2.85Å; Q845-G847 PolarHBondContact O-N 3.37Å | ||
| 846 | S | 23.5 | Very low | 23.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -91.3 | 83.8 | 156.4 | 56.9 | 0 | 0 | 0 | 0 | 107 | H844 | H844-S846 PolarHBondContact O-N 3.29Š| ||
| 847 | G | 21.4 | Very low | 23 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 177.6 | 19.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q845 S849 | Q845-G847 PolarHBondContact O-N 3.37Å; G847-S849 VanDerWaalsContact C-N 3.26Å; G847-S849 PolarHBondContact O-N 2.56Å; G847-S849 VanDerWaalsContact O-N 3.11Å | ||
| 848 | T | 23.1 | Very low | 22.9 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -78.4 | 90.2 | 159.7 | -5 | 0 | 0 | 0 | 0 | 106.3 | L850 | T848-L850 PolarHBondContact O-N 2.9Š| ||
| 849 | S | 23.9 | Very low | 23 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -41.9 | 115 | 153.2 | 42.8 | 0 | 0 | 0 | 0 | 107.8 | G847 S851 | G847-S849 VanDerWaalsContact C-N 3.26Å; G847-S849 PolarHBondContact O-N 2.56Å; G847-S849 VanDerWaalsContact O-N 3.11Å; S849-S851 VanDerWaalsContact C-N 3.28Å; S849-S851 PolarHBondContact O-N 3.27Å | ||
| 850 | L | 22 | Very low | 23 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -50.5 | 83.2 | 178.9 | -155.9 | 85.9 | 0 | 0 | 0 | 110.6 | T848 L852 | T848-L850 PolarHBondContact O-N 2.9Å; L850-L852 PolarHBondContact O-N 3.3Å | ||
| 851 | S | 24.9 | Very low | 22.9 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -77.7 | 107.3 | 154 | 54.2 | 0 | 0 | 0 | 0 | 105.1 | S849 Y853 | S849-S851 VanDerWaalsContact C-N 3.28Å; S849-S851 PolarHBondContact O-N 3.27Å; S851-Y853 PolarHBondContact O-N 3.4Å | ||
| 852 | L | 23.7 | Very low | 23 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -43.5 | 127 | 175.7 | -72.8 | 160 | 0 | 0 | 0 | 109.6 | L850 D854 | L850-L852 PolarHBondContact O-N 3.3Å; L852-D854 PolarHBondContact O-N 3.01Å | ||
| 853 | Y | 24.9 | Very low | 23.2 | Very low | 224 Ų | 224 | 142 Ų | 142 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -53.2 | 124.2 | 176.3 | -89.8 | -97.8 | 0 | 0 | 0 | 110.4 | S851 Q855 | S851-Y853 PolarHBondContact O-N 3.4Å; Y853-Q855 VanDerWaalsContact C-N 3.32Å; Y853-Q855 PolarHBondContact O-N 3.32Å | ||
| 854 | D | 23.8 | Very low | 23.3 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 93.3 | 157.5 | -76.5 | -38 | 0 | 0 | 0 | 108.1 | L852 Q856 | L852-D854 PolarHBondContact O-N 3.01Å; D854-Q856 PolarHBondContact O-N 3.21Å | ||
| 855 | Q | 23.8 | Very low | 23.4 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 110.1 | 161.4 | -84.8 | -178.6 | -18.3 | 0 | 0 | 108 | Y853 I857 | Y853-Q855 VanDerWaalsContact C-N 3.32Å; Y853-Q855 PolarHBondContact O-N 3.32Å; Q855-I857 PolarHBondContact O-N 2.87Å | ||
| 856 | Q | 21.4 | Very low | 23.4 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -59.4 | 96.3 | 166.7 | -69.1 | 171.6 | -25.3 | 0 | 0 | 108.9 | D854 | D854-Q856 PolarHBondContact O-N 3.21Š| ||
| 857 | I | 21.2 | Very low | 23.5 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | trans | -89.8 | 109.1 | 165.4 | -56.7 | 175.5 | 0 | 0 | 0 | 106.2 | Q855 V859 | Q855-I857 PolarHBondContact O-N 2.87Å; I857-V859 HydrophobicContact CG2-CG2 3.59Å; I857-V859 PolarHBondContact O-N 3.13Å | ||
| 858 | S | 20 | Very low | 23.6 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 112.8 | 163.4 | 51.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 859 | V | 24 | Very low | 23.6 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -123.2 | 125.3 | 166.3 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | I857 | I857-V859 HydrophobicContact CG2-CG2 3.59Å; I857-V859 PolarHBondContact O-N 3.13Å | ||
| 860 | D | 21.9 | Very low | 23.7 | Very low | 155 Ų | 155 | 156.4 Ų | 156.4 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -59.6 | 153.5 | -178.4 | -71.5 | -54 | 0 | 0 | 0 | 113.1 | ||||
| 861 | A | 22.9 | Very low | 23.9 | Very low | 89 Ų | 89 | 154.4 Ų | 154.4 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -60.6 | 134.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 862 | D | 24.9 | Very low | 23.9 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -151.3 | 123.1 | 149.1 | -86.9 | -33.5 | 0 | 0 | 0 | 110.9 | ||||
| 863 | E | 25.9 | Very low | 24.1 | Very low | 172 Ų | 172 | 158.9 Ų | 158.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 64.1 | 105 | 142.7 | -55.7 | -167.6 | 160.1 | 0 | 0 | 122.2 | ||||
| 864 | D | 24.5 | Very low | 24.3 | Very low | 152 Ų | 152 | 157.8 Ų | 157.8 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | 33.7 | 110.8 | 120.6 | -63.5 | -18.4 | 0 | 0 | 0 | 119.1 | |||||
| 865 | T | 26 | Very low | 24.6 | Very low | 144 Ų | 144 | 160.3 Ų | 160.3 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | -158.2 | 128.3 | 126.8 | -13.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 866 | D | 22.8 | Very low | 25.2 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -62.3 | 120 | 179.1 | -61.6 | -57 | 0 | 0 | 0 | 113.7 | ||||
| 867 | L | 26.2 | Very low | 26.1 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -143.3 | 103.8 | 157.2 | -76 | 178.6 | 0 | 0 | 0 | 111.3 | ||||
| 868 | E | 24.2 | Very low | 27.1 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 22 | 97.9 | 154 | -61.8 | -175.4 | 165.3 | 0 | 0 | 119.5 | F870 | E868-F870 PolarHBondContact O-N 3.44Š| ||
| 869 | E | 22.7 | Very low | 28.5 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | 28.5 | 78.2 | 135.7 | -61.1 | -174.4 | 168 | 0 | 0 | 119.3 | ||||
| 870 | F | 25.6 | Very low | 30.1 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -88.8 | 127.3 | 143.4 | -78.7 | -84.6 | 0 | 0 | 0 | 109.4 | E868 Y872 | E868-F870 PolarHBondContact O-N 3.44Å; F870-Y872 PolarHBondContact O-N 2.92Å | ||
| 871 | S | 26.4 | Very low | 32 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -54.2 | 103.5 | -177.4 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | C873 | S871-C873 PolarHBondContact O-N 3.41Å; S871-C873 VanDerWaalsContact O-N 3.12Å | ||
| 872 | Y | 25.2 | Very low | 34.7 | Very low | 225 Ų | 225 | 145.1 Ų | 145.1 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -59.5 | 109 | 172.9 | -76.9 | -89.8 | 0 | 0 | 0 | 110.8 | F870 | F870-Y872 PolarHBondContact O-N 2.92Š| ||
| 873 | C | 27.2 | Very low | 37.6 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 125.6 | 155.4 | -99.3 | 0 | 0 | 0 | 0 | 108.4 | S871 | S871-C873 PolarHBondContact O-N 3.41Å; S871-C873 VanDerWaalsContact O-N 3.12Å |
| 874 | K | 29.8 | Very low | 40.5 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 145.3 | 179 | -74 | 178.1 | 174.8 | 178.6 | 0 | 111.2 | ||
| 875 | R | 30.9 | Very low | 43.4 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.7 | -171 | -55.7 | 173.1 | -157.1 | 167.2 | 3.7 | 112 | T877 | R875-T877 VanDerWaalsContact C-N 3.32Š|
| 876 | D | 36 | Very low | 46.1 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 43% | 0.433 | 61% | 0.613 | S | S | . | * | trans | -94.4 | 33.8 | 166.8 | -80.3 | -20.5 | 0 | 0 | 0 | 112.5 | ||||
| 877 | T | 40 | Very low | 49.1 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | trans | -99.7 | 9.3 | 171.1 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | R875 S879 | R875-T877 VanDerWaalsContact C-N 3.32Å; T877-S879 PolarHBondContact O-N 2.98Å | ||
| 878 | D | 42.1 | Very low | 51.9 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -73.2 | 122.1 | 165.8 | -77 | -9.2 | 0 | 0 | 0 | 108.1 | N880 V881 | D878-N880 HydrophobicContact CB-CB 4.39Å; D878-N880 PolarHBondContact O-N 3.43Å; D878-V881 PolarHBondContact O-N 2.79Å; D878-V881 VanDerWaalsContact O-N 3.13Å |
| 879 | S | 50.1 | Low | 54.6 | Low | 109 Ų | 109 | 106.5 Ų | 106.5 | 76% | 0.762 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -4.2 | 169.4 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | T877 | T877-S879 PolarHBondContact O-N 2.98Š|
| 880 | N | 57.4 | Low | 57.4 | Low | 133 Ų | 133 | 101.4 Ų | 101.4 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -12.3 | 178.6 | -68.1 | -20.7 | 0 | 0 | 0 | 114.7 | D878 I882 | D878-N880 HydrophobicContact CB-CB 4.39Å; D878-N880 PolarHBondContact O-N 3.43Å; N880-I882 PolarHBondContact O-N 2.81Å |
| 881 | V | 61.7 | Low | 60.1 | Low | 52 Ų | 52 | 96 Ų | 96 | 32% | 0.315 | 49% | 0.492 | S | S | . | . | trans | -75.5 | 110.6 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | D878 | D878-V881 PolarHBondContact O-N 2.79Å; D878-V881 VanDerWaalsContact O-N 3.13Å | ||
| 882 | I | 79.6 | Confident | 62.4 | Low | 85 Ų | 85 | 91 Ų | 91 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | trans | -65.5 | 136.7 | -179 | -58.7 | 175.5 | 0 | 0 | 0 | 109.7 | N880 E886 F887 L890 | N880-I882 PolarHBondContact O-N 2.81Å; I882-E886 HydrophobicContact CG2-CB 3.22Å; I882-E886 HydrophobicContact CG2-CG 4.35Å; I882-F887 HydrophobicContact CG2-CB 4.44Å; I882-L890 HydrophobicContact CD1-CD1 3.99Å | ||
| 883 | T | 85.6 | Confident | 64.9 | Low | 11 Ų | 11 | 85.4 Ų | 85.4 | 7% | 0.067 | 44% | 0.44 | C | S | . | . | trans | -71.5 | 157.2 | 174.2 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | R537 I885 E886 F887 | R537-T883 HydrophobicContact CG-CG2 3.83Å; T883-I885 VanDerWaalsContact C-N 3.26Å; T883-I885 PolarHBondContact O-N 3.24Å; T883-E886 PolarHBondContact N-OE2 3.39Å; T883-E886 PolarHBondContact O-N 2.82Å; T883-E886 VanDerWaalsContact OG1-CG 3.25Å; T883-E886 WeakPolarHBondContact OG1-CG 3.48Å; T883-E886 PolarHBondContact OG1-OE2 3.04Å; T883-F887 PolarHBondContact O-N 3.35Å | ||
| 884 | W | 87.1 | Confident | 67.3 | Low | 21 Ų | 21 | 82.3 Ų | 82.3 | 8% | 0.08 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.3 | -38.1 | 179.2 | 175.8 | 77.9 | 0 | 0 | 0 | 114 | R534 L535 I562 P574 Y577 R637 F887 C888 | R534-W884 PolarHBondContact O-N 3.32Å; R534-W884 VanDerWaalsContact O-N 3.08Å; L535-W884 HydrophobicContact CD2-CB 4.29Å; I562-W884 HydrophobicContact CD1-CE3 4.11Å; I562-W884 HydrophobicContact CG1-CE3 4.45Å; I562-W884 HydrophobicContact CG1-CZ3 4.36Å; I562-W884 HydrophobicContact CG2-CE3 4.15Å; I562-W884 HydrophobicContact CG2-CZ3 3.98Å; P574-W884 HydrophobicContact CB-CD2 3.59Å; P574-W884 HydrophobicContact CB-CE3 3.99Å; P574-W884 HydrophobicContact CB-CG 4.09Å; P574-W884 HydrophobicContact CB-CH2 4.01Å; P574-W884 HydrophobicContact CB-CZ2 3.61Å; P574-W884 HydrophobicContact CB-CZ3 4.18Å; P574-W884 HydrophobicContact CG-CB 4.5Å; P574-W884 HydrophobicContact CG-CD2 3.77Å; P574-W884 HydrophobicContact CG-CG 3.69Å; P574-W884 HydrophobicContact CG-CZ2 4.42Å; P574-W884 WeakPolarHBondContact O-CZ2 3.45Å; Y577-W884 HydrophobicContact CD1-CZ3 4.3Å; R637-W884 HydrophobicContact CB-CH2 3.91Å; R637-W884 HydrophobicContact CB-CZ2 4.21Å; W884-F887 PolarHBondContact O-N 3.31Å; W884-C888 WeakPolarHBondContact CZ2-SG 3.46Å; W884-C888 PolarHBondContact NE1-SG 2.77Å; W884-C888 PolarHBondContact O-N 2.79Å; W884-C888 PolarHBondContact O-SG 3.42Å |
| 885 | I | 84.4 | Confident | 69.2 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.4 | -62.5 | 175.8 | 0 | 0 | 0 | 110.9 | P560 I562 Y577 T883 C888 Q889 | P560-I885 HydrophobicContact CG-CD1 3.85Å; I562-I885 HydrophobicContact CD1-CD1 4.11Å; I562-I885 HydrophobicContact CD1-CG1 4.24Å; I562-I885 HydrophobicContact CG1-CD1 4.5Å; Y577-I885 HydrophobicContact CD1-CG1 4.44Å; Y577-I885 HydrophobicContact CE1-CG2 4.4Å; Y577-I885 HydrophobicContact CG-CD1 4.46Å; T883-I885 VanDerWaalsContact C-N 3.26Å; T883-I885 PolarHBondContact O-N 3.24Å; I885-C888 PolarHBondContact O-N 3Å; I885-Q889 WeakPolarHBondContact O-CG 3.47Å; I885-Q889 PolarHBondContact O-N 3.35Å |
| 886 | E | 84.4 | Confident | 71.2 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -35.2 | 176.7 | -68.6 | 163.3 | 162.2 | 0 | 0 | 111.5 | R537 I882 T883 Q889 L890 | R537-E886 IonicContact CZ-OE1 3.55Å; R537-E886 IonicContact NE-OE1 3.67Å; R537-E886 IonicContact NH2-OE1 2.73Å; R537-E886 PolarHBondContact NH2-OE1 3.14Å; R537-E886 IonicContact NH2-OE2 2.83Å; I882-E886 HydrophobicContact CG2-CB 3.22Å; I882-E886 HydrophobicContact CG2-CG 4.35Å; T883-E886 PolarHBondContact N-OE2 3.39Å; T883-E886 PolarHBondContact O-N 2.82Å; T883-E886 VanDerWaalsContact OG1-CG 3.25Å; T883-E886 WeakPolarHBondContact OG1-CG 3.48Å; T883-E886 PolarHBondContact OG1-OE2 3.04Å; E886-Q889 PolarHBondContact O-N 3.34Å; E886-L890 PolarHBondContact O-N 2.82Å |
| 887 | F | 85.8 | Confident | 73.1 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 47% | 0.465 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 173.9 | 175.6 | -104 | 0 | 0 | 0 | 112.5 | I882 T883 W884 Q889 L890 N891 | I882-F887 HydrophobicContact CG2-CB 4.44Å; T883-F887 PolarHBondContact O-N 3.35Å; W884-F887 PolarHBondContact O-N 3.31Å; F887-Q889 VanDerWaalsContact C-N 3.33Å; F887-Q889 PolarHBondContact O-N 3.27Å; F887-L890 PolarHBondContact O-N 3.43Å; F887-N891 WeakPolarHBondContact CE1-ND2 3.27Å; F887-N891 WeakPolarHBondContact CZ-ND2 3.47Å; F887-N891 PolarHBondContact O-N 3.24Å; F887-N891 VanDerWaalsContact O-N 3.11Å |
| 888 | C | 83.3 | Confident | 74.6 | Confident | 7 Ų | 7 | 74.1 Ų | 74.1 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | R637 W884 I885 L890 N891 A892 | R637-C888 HydrophobicContact CB-CB 4.4Å; R637-C888 HydrophobicContact CG-CB 4.34Å; W884-C888 WeakPolarHBondContact CZ2-SG 3.46Å; W884-C888 PolarHBondContact NE1-SG 2.77Å; W884-C888 PolarHBondContact O-N 2.79Å; W884-C888 PolarHBondContact O-SG 3.42Å; I885-C888 PolarHBondContact O-N 3Å; C888-L890 VanDerWaalsContact C-N 3.34Å; C888-L890 PolarHBondContact O-N 2.97Å; C888-N891 PolarHBondContact O-N 3.42Å; C888-A892 PolarHBondContact O-N 2.98Å |
| 889 | Q | 80.5 | Confident | 76 | Confident | 81 Ų | 81 | 75 Ų | 75 | 38% | 0.379 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 175 | -71.2 | 170.8 | -5 | 0 | 0 | 111.6 | Y636 I885 E886 F887 E893 | Y636-Q889 HydrophobicContact CD1-CB 4.47Å; Y636-Q889 HydrophobicContact CD1-CG 3.88Å; Y636-Q889 HydrophobicContact CE1-CG 4.36Å; I885-Q889 WeakPolarHBondContact O-CG 3.47Å; I885-Q889 PolarHBondContact O-N 3.35Å; E886-Q889 PolarHBondContact O-N 3.34Å; F887-Q889 VanDerWaalsContact C-N 3.33Å; F887-Q889 PolarHBondContact O-N 3.27Å; Q889-E893 WeakPolarHBondContact O-CG 3.45Å; Q889-E893 PolarHBondContact O-N 3.49Å |
| 890 | L | 83.1 | Confident | 77 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 47% | 0.466 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 178.5 | -68.8 | 171 | 0 | 0 | 0 | 113.5 | I882 E886 F887 C888 E893 A894 | I882-L890 HydrophobicContact CD1-CD1 3.99Å; E886-L890 PolarHBondContact O-N 2.82Å; F887-L890 PolarHBondContact O-N 3.43Å; C888-L890 VanDerWaalsContact C-N 3.34Å; C888-L890 PolarHBondContact O-N 2.97Å; L890-E893 PolarHBondContact O-N 2.64Å; L890-A894 PolarHBondContact O-N 2.76Å |
| 891 | N | 81.4 | Confident | 77.6 | Confident | 76 Ų | 76 | 72 Ų | 72 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.1 | -35.7 | 178.9 | -79 | -15.3 | 0 | 0 | 0 | 113.4 | F887 C888 E893 A894 S895 | F887-N891 WeakPolarHBondContact CE1-ND2 3.27Å; F887-N891 WeakPolarHBondContact CZ-ND2 3.47Å; F887-N891 PolarHBondContact O-N 3.24Å; F887-N891 VanDerWaalsContact O-N 3.11Å; C888-N891 PolarHBondContact O-N 3.42Å; N891-E893 PolarHBondContact O-N 3.31Å; N891-A894 PolarHBondContact O-N 2.68Å; N891-A894 VanDerWaalsContact O-N 3.11Å; N891-S895 PolarHBondContact O-N 3.44Å; N891-S895 PolarHBondContact O-OG 2.94Å |
| 892 | A | 75.7 | Confident | 77.8 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | N635 C888 A894 S895 E896 | N635-A892 WeakPolarHBondContact O-CB 3.47Å; C888-A892 PolarHBondContact O-N 2.98Å; A892-A894 VanDerWaalsContact C-N 3.33Å; A892-A894 PolarHBondContact O-N 3.42Å; A892-S895 PolarHBondContact O-OG 3.1Å; A892-E896 PolarHBondContact O-N 2.94Å |
| 893 | E | 76.7 | Confident | 77.5 | Confident | 108 Ų | 108 | 77 Ų | 77 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 175.2 | -66 | 173.9 | 178.8 | 0 | 0 | 112.2 | Q889 L890 N891 N897 | Q889-E893 WeakPolarHBondContact O-CG 3.45Å; Q889-E893 PolarHBondContact O-N 3.49Å; L890-E893 PolarHBondContact O-N 2.64Å; N891-E893 PolarHBondContact O-N 3.31Å; E893-N897 PolarHBondContact O-ND2 3.38Å |
| 894 | A | 77.4 | Confident | 76.9 | Confident | 54 Ų | 54 | 82.7 Ų | 82.7 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -77.6 | -36.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L890 N891 A892 N897 L898 | L890-A894 PolarHBondContact O-N 2.76Å; N891-A894 PolarHBondContact O-N 2.68Å; N891-A894 VanDerWaalsContact O-N 3.11Å; A892-A894 VanDerWaalsContact C-N 3.33Å; A892-A894 PolarHBondContact O-N 3.42Å; A894-N897 WeakPolarHBondContact O-CB 3.14Å; A894-N897 PolarHBondContact O-N 2.79Å; A894-L898 PolarHBondContact O-N 2.77Å |
| 895 | S | 70.7 | Confident | 76.2 | Confident | 61 Ų | 61 | 85.2 Ų | 85.2 | 43% | 0.427 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.9 | -36.6 | -178.6 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | N891 A892 N897 L898 I899 | N891-S895 PolarHBondContact O-N 3.44Å; N891-S895 PolarHBondContact O-OG 2.94Å; A892-S895 PolarHBondContact O-OG 3.1Å; S895-N897 PolarHBondContact O-N 3.44Å; S895-L898 PolarHBondContact O-N 3.17Å; S895-L898 VanDerWaalsContact O-N 3.11Å; S895-I899 PolarHBondContact O-N 2.84Å |
| 896 | E | 72.2 | Confident | 75.7 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -55.5 | -39.4 | 169.1 | -76.3 | -173.2 | 171.2 | 0 | 0 | 110.7 | A892 L898 Y900 | A892-E896 PolarHBondContact O-N 2.94Å; E896-L898 VanDerWaalsContact C-N 3.34Å; E896-L898 PolarHBondContact O-N 3.45Å; E896-Y900 WeakPolarHBondContact O-CD2 2.99Å |
| 897 | N | 75 | Confident | 75.2 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 63% | 0.631 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -27.6 | 178.5 | -74.3 | -51.6 | 0 | 0 | 0 | 114.3 | E893 A894 S895 | E893-N897 PolarHBondContact O-ND2 3.38Å; A894-N897 WeakPolarHBondContact O-CB 3.14Å; A894-N897 PolarHBondContact O-N 2.79Å; S895-N897 PolarHBondContact O-N 3.44Å |
| 898 | L | 72.7 | Confident | 74.7 | Confident | 144 Ų | 144 | 87.6 Ų | 87.6 | 75% | 0.754 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -84.1 | -42.9 | -177.2 | -166.2 | 108.3 | 0 | 0 | 0 | 112.9 | A894 S895 E896 Y900 G901 | A894-L898 PolarHBondContact O-N 2.77Å; S895-L898 PolarHBondContact O-N 3.17Å; S895-L898 VanDerWaalsContact O-N 3.11Å; E896-L898 VanDerWaalsContact C-N 3.34Å; E896-L898 PolarHBondContact O-N 3.45Å; L898-Y900 VanDerWaalsContact C-N 3.31Å; L898-Y900 PolarHBondContact O-N 2.75Å; L898-G901 WeakPolarHBondContact O-CA 3.36Å; L898-G901 PolarHBondContact O-N 3Å |
| 899 | I | 70.3 | Confident | 74.4 | Confident | 123 Ų | 123 | 92.3 Ų | 92.3 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | -177.5 | -67.1 | 167.7 | 0 | 0 | 0 | 111 | S895 G901 | S895-I899 PolarHBondContact O-N 2.84Å; I899-G901 PolarHBondContact O-N 2.87Å |
| 900 | Y | 71.5 | Confident | 74.4 | Confident | 157 Ų | 157 | 94 Ų | 94 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 12.3 | 175.1 | -57.8 | -65 | 0 | 0 | 0 | 112.7 | E896 L898 T903 K904 | E896-Y900 WeakPolarHBondContact O-CD2 2.99Å; L898-Y900 VanDerWaalsContact C-N 3.31Å; L898-Y900 PolarHBondContact O-N 2.75Å; Y900-T903 WeakPolarHBondContact CA-OG1 3.48Å; Y900-T903 PolarHBondContact O-OG1 2.75Å; Y900-K904 WeakPolarHBondContact O-CB 3.45Å; Y900-K904 PolarHBondContact O-N 2.8Å; Y900-K904 VanDerWaalsContact O-N 3.12Å |
| 901 | G | 69.7 | Low | 74.1 | Confident | 23 Ų | 23 | 94.3 Ų | 94.3 | 24% | 0.237 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -73.2 | -51.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L898 I899 K904 T905 | L898-G901 WeakPolarHBondContact O-CA 3.36Å; L898-G901 PolarHBondContact O-N 3Å; I899-G901 PolarHBondContact O-N 2.87Å; G901-K904 CarbonylContact O-C 3.57Å; G901-K904 WeakPolarHBondContact O-CB 3.43Å; G901-K904 PolarHBondContact O-N 2.77Å; G901-T905 WeakPolarHBondContact O-CG2 3.4Å; G901-T905 PolarHBondContact O-N 3.12Å |
| 902 | E | 67.3 | Low | 73.9 | Confident | 166 Ų | 166 | 93.9 Ų | 93.9 | 78% | 0.776 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.5 | -37.9 | -178.8 | -84.1 | -174.5 | 164.2 | 0 | 0 | 113.2 | K904 T905 S906 | E902-K904 PolarHBondContact O-N 3.24Å; E902-T905 VanDerWaalsContact CA-OG1 3.31Å; E902-T905 WeakPolarHBondContact CA-OG1 3.36Å; E902-T905 PolarHBondContact O-N 3.01Å; E902-T905 VanDerWaalsContact O-N 3.15Å; E902-T905 PolarHBondContact O-OG1 2.82Å; E902-S906 WeakPolarHBondContact O-CB 3.14Å; E902-S906 PolarHBondContact O-N 3.02Å |
| 903 | T | 72.8 | Confident | 73.9 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 169.9 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | Y900 I907 | Y900-T903 WeakPolarHBondContact CA-OG1 3.48Å; Y900-T903 PolarHBondContact O-OG1 2.75Å; T903-I907 WeakPolarHBondContact O-CB 3.49Å; T903-I907 VanDerWaalsContact O-CD1 3.28Å; T903-I907 WeakPolarHBondContact O-CD1 3.06Å; T903-I907 WeakPolarHBondContact O-CG1 3.11Å; T903-I907 PolarHBondContact O-N 3.24Å |
| 904 | K | 72.1 | Confident | 74.1 | Confident | 131 Ų | 131 | 99.7 Ų | 99.7 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 171.7 | -177.5 | 179.6 | -174.2 | 179 | 0 | 112.4 | Y900 G901 E902 L908 | Y900-K904 WeakPolarHBondContact O-CB 3.45Å; Y900-K904 PolarHBondContact O-N 2.8Å; Y900-K904 VanDerWaalsContact O-N 3.12Å; G901-K904 CarbonylContact O-C 3.57Å; G901-K904 WeakPolarHBondContact O-CB 3.43Å; G901-K904 PolarHBondContact O-N 2.77Å; E902-K904 PolarHBondContact O-N 3.24Å; K904-L908 HydrophobicContact CG-CD1 3.95Å; K904-L908 WeakPolarHBondContact O-CB 3.47Å; K904-L908 WeakPolarHBondContact O-CD1 3.45Å; K904-L908 WeakPolarHBondContact O-CG 3.47Å; K904-L908 PolarHBondContact O-N 3.49Å |
| 905 | T | 74.3 | Confident | 74.1 | Confident | 74 Ų | 74 | 104.4 Ų | 104.4 | 45% | 0.454 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.9 | -38.3 | 178.1 | 57 | 0 | 0 | 0 | 0 | 114 | G901 E902 L908 N909 | G901-T905 WeakPolarHBondContact O-CG2 3.4Å; G901-T905 PolarHBondContact O-N 3.12Å; E902-T905 VanDerWaalsContact CA-OG1 3.31Å; E902-T905 WeakPolarHBondContact CA-OG1 3.36Å; E902-T905 PolarHBondContact O-N 3.01Å; E902-T905 VanDerWaalsContact O-N 3.15Å; E902-T905 PolarHBondContact O-OG1 2.82Å; T905-L908 CarbonylContact O-C 3.59Å; T905-L908 WeakPolarHBondContact O-CB 3.47Å; T905-L908 PolarHBondContact O-N 3.2Å; T905-N909 PolarHBondContact O-N 2.83Å |
| 906 | S | 72 | Confident | 74.5 | Confident | 61 Ų | 61 | 106.6 Ų | 106.6 | 43% | 0.427 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 174.9 | -169.6 | 0 | 0 | 0 | 0 | 111 | E902 L908 N909 E910 | E902-S906 WeakPolarHBondContact O-CB 3.14Å; E902-S906 PolarHBondContact O-N 3.02Å; S906-L908 VanDerWaalsContact C-N 3.26Å; S906-L908 PolarHBondContact O-N 2.82Å; S906-N909 PolarHBondContact O-N 2.94Å; S906-N909 VanDerWaalsContact O-N 3.09Å; S906-E910 PolarHBondContact O-N 2.76Å |
| 907 | I | 74.6 | Confident | 74.8 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 173.1 | -69.3 | 166.7 | 0 | 0 | 0 | 109.5 | T903 N909 L911 | T903-I907 WeakPolarHBondContact O-CB 3.49Å; T903-I907 VanDerWaalsContact O-CD1 3.28Å; T903-I907 WeakPolarHBondContact O-CD1 3.06Å; T903-I907 WeakPolarHBondContact O-CG1 3.11Å; T903-I907 PolarHBondContact O-N 3.24Å; I907-N909 VanDerWaalsContact C-N 3.35Å; I907-N909 PolarHBondContact O-N 3.2Å; I907-L911 HydrophobicContact CG2-CD1 3.73Å; I907-L911 WeakPolarHBondContact O-CB 3.47Å; I907-L911 PolarHBondContact O-N 3.1Å |
| 908 | L | 75.6 | Confident | 74.9 | Confident | 84 Ų | 84 | 102.4 Ų | 102.4 | 44% | 0.44 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 174 | -80.2 | 163 | 0 | 0 | 0 | 113 | K904 T905 S906 N912 | K904-L908 HydrophobicContact CG-CD1 3.95Å; K904-L908 WeakPolarHBondContact O-CB 3.47Å; K904-L908 WeakPolarHBondContact O-CD1 3.45Å; K904-L908 WeakPolarHBondContact O-CG 3.47Å; K904-L908 PolarHBondContact O-N 3.49Å; T905-L908 CarbonylContact O-C 3.59Å; T905-L908 WeakPolarHBondContact O-CB 3.47Å; T905-L908 PolarHBondContact O-N 3.2Å; S906-L908 VanDerWaalsContact C-N 3.26Å; S906-L908 PolarHBondContact O-N 2.82Å; L908-N912 VanDerWaalsContact O-CB 3.22Å; L908-N912 WeakPolarHBondContact O-CB 3.44Å; L908-N912 PolarHBondContact O-N 2.87Å; L908-N912 PolarHBondContact O-ND2 2.87Å |
| 909 | N | 77.4 | Confident | 75.1 | Confident | 105 Ų | 105 | 99.5 Ų | 99.5 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.9 | -45.5 | 178.1 | -78.3 | -13.9 | 0 | 0 | 0 | 112.1 | T905 S906 I907 N912 E913 | T905-N909 PolarHBondContact O-N 2.83Å; S906-N909 PolarHBondContact O-N 2.94Å; S906-N909 VanDerWaalsContact O-N 3.09Å; I907-N909 VanDerWaalsContact C-N 3.35Å; I907-N909 PolarHBondContact O-N 3.2Å; N909-N912 CarbonylContact O-C 3.51Å; N909-N912 WeakPolarHBondContact O-CA 3.45Å; N909-N912 WeakPolarHBondContact O-CB 3.31Å; N909-N912 PolarHBondContact O-N 3.36Å; N909-E913 PolarHBondContact O-N 3.25Å |
| 910 | E | 79.8 | Confident | 75.5 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 172.8 | -71.3 | 179.4 | -176.6 | 0 | 0 | 110.9 | S906 N912 E913 I914 | S906-E910 PolarHBondContact O-N 2.76Å; E910-N912 PolarHBondContact O-N 3.4Å; E910-E913 PolarHBondContact O-N 2.86Å; E910-I914 WeakPolarHBondContact O-CB 3.42Å; E910-I914 VanDerWaalsContact O-CG1 3.32Å; E910-I914 WeakPolarHBondContact O-CG1 3.26Å; E910-I914 PolarHBondContact O-N 3.34Å |
| 911 | L | 76.5 | Confident | 76 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 170.1 | -95.5 | 157.4 | 0 | 0 | 0 | 111.6 | I907 R915 | I907-L911 HydrophobicContact CG2-CD1 3.73Å; I907-L911 WeakPolarHBondContact O-CB 3.47Å; I907-L911 PolarHBondContact O-N 3.1Å; L911-R915 WeakPolarHBondContact O-CA 3.35Å; L911-R915 WeakPolarHBondContact O-CB 3.28Å; L911-R915 PolarHBondContact O-N 3.07Å |
| 912 | N | 77 | Confident | 76.4 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.8 | -37.9 | 176.5 | -84.1 | -24.1 | 0 | 0 | 0 | 112.1 | L908 N909 E910 R915 N916 | L908-N912 VanDerWaalsContact O-CB 3.22Å; L908-N912 WeakPolarHBondContact O-CB 3.44Å; L908-N912 PolarHBondContact O-N 2.87Å; L908-N912 PolarHBondContact O-ND2 2.87Å; N909-N912 CarbonylContact O-C 3.51Å; N909-N912 WeakPolarHBondContact O-CA 3.45Å; N909-N912 WeakPolarHBondContact O-CB 3.31Å; N909-N912 PolarHBondContact O-N 3.36Å; E910-N912 PolarHBondContact O-N 3.4Å; N912-R915 PolarHBondContact O-N 2.79Å; N912-N916 VanDerWaalsContact O-CB 3.29Å; N912-N916 WeakPolarHBondContact O-CB 3.36Å; N912-N916 PolarHBondContact O-N 2.95Å; N912-N916 PolarHBondContact O-ND2 3.26Å; N912-N916 PolarHBondContact O-OD1 3.19Å |
| 913 | E | 77 | Confident | 76.9 | Confident | 142 Ų | 142 | 88.3 Ų | 88.3 | 66% | 0.664 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.6 | -46.6 | 173 | -74.4 | -171.8 | 164.6 | 0 | 0 | 111.5 | N909 E910 R915 N916 T917 | N909-E913 PolarHBondContact O-N 3.25Å; E910-E913 PolarHBondContact O-N 2.86Å; E913-R915 VanDerWaalsContact C-N 3.35Å; E913-R915 PolarHBondContact O-N 2.78Å; E913-N916 PolarHBondContact O-N 2.91Å; E913-T917 WeakPolarHBondContact O-CG2 3.44Å; E913-T917 PolarHBondContact O-N 3.35Å; E913-T917 PolarHBondContact O-OG1 2.81Å |
| 914 | I | 80.3 | Confident | 77.3 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.6 | -65.5 | 168.5 | 0 | 0 | 0 | 110.2 | E910 N916 T917 V918 | E910-I914 WeakPolarHBondContact O-CB 3.42Å; E910-I914 VanDerWaalsContact O-CG1 3.32Å; E910-I914 WeakPolarHBondContact O-CG1 3.26Å; E910-I914 PolarHBondContact O-N 3.34Å; I914-N916 VanDerWaalsContact C-N 3.32Å; I914-N916 PolarHBondContact O-N 3.05Å; I914-T917 WeakPolarHBondContact CA-OG1 3.35Å; I914-T917 PolarHBondContact O-N 3.43Å; I914-T917 PolarHBondContact O-OG1 2.8Å; I914-V918 HydrophobicContact CG2-CG2 4.04Å; I914-V918 WeakPolarHBondContact O-CB 3.37Å; I914-V918 VanDerWaalsContact O-CG2 3.25Å; I914-V918 WeakPolarHBondContact O-CG2 3.29Å; I914-V918 PolarHBondContact O-N 2.88Å |
| 915 | R | 77.1 | Confident | 77.7 | Confident | 154 Ų | 154 | 85.7 Ų | 85.7 | 58% | 0.581 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 176 | -177.6 | 179.9 | -160.4 | 170.6 | 5.6 | 111.7 | L911 N912 E913 N919 | L911-R915 WeakPolarHBondContact O-CA 3.35Å; L911-R915 WeakPolarHBondContact O-CB 3.28Å; L911-R915 PolarHBondContact O-N 3.07Å; N912-R915 PolarHBondContact O-N 2.79Å; E913-R915 VanDerWaalsContact C-N 3.35Å; E913-R915 PolarHBondContact O-N 2.78Å; R915-N919 WeakPolarHBondContact O-CB 3.47Å; R915-N919 PolarHBondContact O-N 3.33Å; R915-N919 PolarHBondContact O-ND2 2.97Å |
| 916 | N | 79.5 | Confident | 77.9 | Confident | 106 Ų | 106 | 87 Ų | 87 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.6 | -40.4 | 176.4 | -72.9 | -19.8 | 0 | 0 | 0 | 111.4 | N912 E913 I914 A920 | N912-N916 VanDerWaalsContact O-CB 3.29Å; N912-N916 WeakPolarHBondContact O-CB 3.36Å; N912-N916 PolarHBondContact O-N 2.95Å; N912-N916 PolarHBondContact O-ND2 3.26Å; N912-N916 PolarHBondContact O-OD1 3.19Å; E913-N916 PolarHBondContact O-N 2.91Å; I914-N916 VanDerWaalsContact C-N 3.32Å; I914-N916 PolarHBondContact O-N 3.05Å; N916-A920 VanDerWaalsContact O-CB 3.31Å; N916-A920 WeakPolarHBondContact O-CB 3.34Å; N916-A920 PolarHBondContact O-N 3.3Å |
| 917 | T | 79.5 | Confident | 78.3 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 175.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | E913 I914 A920 M921 | E913-T917 WeakPolarHBondContact O-CG2 3.44Å; E913-T917 PolarHBondContact O-N 3.35Å; E913-T917 PolarHBondContact O-OG1 2.81Å; I914-T917 WeakPolarHBondContact CA-OG1 3.35Å; I914-T917 PolarHBondContact O-N 3.43Å; I914-T917 PolarHBondContact O-OG1 2.8Å; T917-A920 WeakPolarHBondContact O-CB 3.3Å; T917-A920 PolarHBondContact O-N 3.49Å; T917-M921 WeakPolarHBondContact O-CG 3.46Å; T917-M921 PolarHBondContact O-N 2.9Å |
| 918 | V | 75.6 | Confident | 78.7 | Confident | 52 Ų | 52 | 87 Ų | 87 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | I914 A920 M921 V922 | I914-V918 HydrophobicContact CG2-CG2 4.04Å; I914-V918 WeakPolarHBondContact O-CB 3.37Å; I914-V918 VanDerWaalsContact O-CG2 3.25Å; I914-V918 WeakPolarHBondContact O-CG2 3.29Å; I914-V918 PolarHBondContact O-N 2.88Å; V918-A920 VanDerWaalsContact C-N 3.32Å; V918-A920 PolarHBondContact O-N 2.92Å; V918-M921 HydrophobicContact CB-CE 4.4Å; V918-M921 HydrophobicContact CG2-CE 3.94Å; V918-M921 CarbonylContact O-C 3.6Å; V918-M921 PolarHBondContact O-N 2.91Å; V918-V922 HydrophobicContact CG1-CG2 4.15Å; V918-V922 WeakPolarHBondContact O-CB 3.35Å; V918-V922 VanDerWaalsContact O-CG2 3.27Å; V918-V922 WeakPolarHBondContact O-CG2 2.91Å; V918-V922 PolarHBondContact O-N 3.33Å |
| 919 | N | 77.9 | Confident | 78.7 | Confident | 83 Ų | 83 | 86.3 Ų | 86.3 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 174.9 | -74.8 | -17.5 | 0 | 0 | 0 | 111.7 | R915 V922 S923 | R915-N919 WeakPolarHBondContact O-CB 3.47Å; R915-N919 PolarHBondContact O-N 3.33Å; R915-N919 PolarHBondContact O-ND2 2.97Å; N919-V922 PolarHBondContact O-N 3.23Å; N919-S923 VanDerWaalsContact O-CB 3.26Å; N919-S923 WeakPolarHBondContact O-CB 3.09Å; N919-S923 PolarHBondContact O-N 2.93Å; N919-S923 PolarHBondContact O-OG 2.79Å |
| 920 | A | 78.7 | Confident | 78.4 | Confident | 54 Ų | 54 | 89.3 Ų | 89.3 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N916 T917 V918 V922 S923 E924 | N916-A920 VanDerWaalsContact O-CB 3.31Å; N916-A920 WeakPolarHBondContact O-CB 3.34Å; N916-A920 PolarHBondContact O-N 3.3Å; T917-A920 WeakPolarHBondContact O-CB 3.3Å; T917-A920 PolarHBondContact O-N 3.49Å; V918-A920 VanDerWaalsContact C-N 3.32Å; V918-A920 PolarHBondContact O-N 2.92Å; A920-V922 PolarHBondContact O-N 3.14Å; A920-S923 PolarHBondContact O-N 3.24Å; A920-S923 PolarHBondContact O-OG 2.81Å; A920-E924 WeakPolarHBondContact O-CB 3.28Å; A920-E924 PolarHBondContact O-N 3.23Å |
| 921 | M | 80.5 | Confident | 78.3 | Confident | 86 Ų | 86 | 91.7 Ų | 91.7 | 42% | 0.424 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 176.8 | -68.9 | -172.3 | -65.8 | 0 | 0 | 113.2 | T917 V918 E924 N925 F939 | T917-M921 WeakPolarHBondContact O-CG 3.46Å; T917-M921 PolarHBondContact O-N 2.9Å; V918-M921 HydrophobicContact CB-CE 4.4Å; V918-M921 HydrophobicContact CG2-CE 3.94Å; V918-M921 CarbonylContact O-C 3.6Å; V918-M921 PolarHBondContact O-N 2.91Å; M921-E924 PolarHBondContact O-N 3.46Å; M921-N925 VanDerWaalsContact O-CB 3.28Å; M921-N925 WeakPolarHBondContact O-CB 3.37Å; M921-N925 PolarHBondContact O-N 2.71Å; M921-F939 HydrophobicContact CB-CD1 4.43Å; M921-F939 HydrophobicContact CB-CE1 3.95Å |
| 922 | V | 79.8 | Confident | 78.2 | Confident | 25 Ų | 25 | 91.7 Ų | 91.7 | 15% | 0.152 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V918 N919 A920 E924 N925 E926 | V918-V922 HydrophobicContact CG1-CG2 4.15Å; V918-V922 WeakPolarHBondContact O-CB 3.35Å; V918-V922 VanDerWaalsContact O-CG2 3.27Å; V918-V922 WeakPolarHBondContact O-CG2 2.91Å; V918-V922 PolarHBondContact O-N 3.33Å; N919-V922 PolarHBondContact O-N 3.23Å; A920-V922 PolarHBondContact O-N 3.14Å; V922-E924 VanDerWaalsContact C-N 3.35Å; V922-N925 PolarHBondContact O-N 2.88Å; V922-E926 HydrophobicContact CG1-CG 4.41Å; V922-E926 WeakPolarHBondContact O-CB 3.14Å; V922-E926 WeakPolarHBondContact O-CG 3.38Å; V922-E926 PolarHBondContact O-N 3.18Å |
| 923 | S | 76.6 | Confident | 77.8 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 49% | 0.49 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.2 | 71 | 0 | 0 | 0 | 0 | 112.5 | N919 A920 S927 | N919-S923 VanDerWaalsContact O-CB 3.26Å; N919-S923 WeakPolarHBondContact O-CB 3.09Å; N919-S923 PolarHBondContact O-N 2.93Å; N919-S923 PolarHBondContact O-OG 2.79Å; A920-S923 PolarHBondContact O-N 3.24Å; A920-S923 PolarHBondContact O-OG 2.81Å; S923-S927 PolarHBondContact O-N 3.01Å; S923-S927 VanDerWaalsContact O-N 3.12Å |
| 924 | E | 82.1 | Confident | 77.8 | Confident | 133 Ų | 133 | 91.5 Ų | 91.5 | 62% | 0.621 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -45.5 | 174 | -162.2 | 171.7 | -165.3 | 0 | 0 | 109.8 | A920 M921 V922 E926 S927 L928 | A920-E924 WeakPolarHBondContact O-CB 3.28Å; A920-E924 PolarHBondContact O-N 3.23Å; M921-E924 PolarHBondContact O-N 3.46Å; V922-E924 VanDerWaalsContact C-N 3.35Å; E924-E926 PolarHBondContact O-N 3.24Å; E924-S927 WeakPolarHBondContact O-CB 3.42Å; E924-S927 PolarHBondContact O-N 3.49Å; E924-S927 PolarHBondContact O-OG 2.94Å; E924-L928 WeakPolarHBondContact O-CG 3.33Å; E924-L928 PolarHBondContact O-N 3.44Å |
| 925 | N | 79.8 | Confident | 77.2 | Confident | 17 Ų | 17 | 92 Ų | 92 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 176.3 | -169.2 | 49.6 | 0 | 0 | 0 | 113.4 | M921 V922 S927 L928 R933 I934 F939 | M921-N925 VanDerWaalsContact O-CB 3.28Å; M921-N925 WeakPolarHBondContact O-CB 3.37Å; M921-N925 PolarHBondContact O-N 2.71Å; V922-N925 PolarHBondContact O-N 2.88Å; N925-S927 VanDerWaalsContact C-N 3.28Å; N925-S927 PolarHBondContact O-N 3.35Å; N925-L928 WeakPolarHBondContact O-CB 3.35Å; N925-L928 PolarHBondContact O-N 3.27Å; N925-R933 WeakPolarHBondContact O-CG 3.34Å; N925-R933 WeakPolarHBondContact OD1-CA 3.23Å; N925-I934 PolarHBondContact ND2-O 3.49Å; N925-I934 PolarHBondContact OD1-N 2.95Å; N925-F939 HydrophobicContact CB-CE2 4.26Å; N925-F939 HydrophobicContact CB-CZ 3.7Å; N925-F939 VanDerWaalsContact ND2-CE2 3.31Å; N925-F939 WeakPolarHBondContact ND2-CE2 3.4Å |
| 926 | E | 79 | Confident | 76.8 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.2 | -30.1 | 174.7 | -77.1 | -180 | -177.7 | 0 | 0 | 112.2 | V922 E924 L928 R933 R936 | V922-E926 HydrophobicContact CG1-CG 4.41Å; V922-E926 WeakPolarHBondContact O-CB 3.14Å; V922-E926 WeakPolarHBondContact O-CG 3.38Å; V922-E926 PolarHBondContact O-N 3.18Å; E924-E926 PolarHBondContact O-N 3.24Å; E926-L928 VanDerWaalsContact C-N 3.27Å; E926-L928 PolarHBondContact O-N 3.45Å; E926-R933 PolarHBondContact O-NE 3.23Å; E926-R933 PolarHBondContact O-NH2 2.91Å; E926-R936 IonicContact OE1-NH2 2.77Å |
| 927 | S | 79.3 | Confident | 76.1 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 66% | 0.657 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.8 | -16.7 | 175.9 | 80.4 | 0 | 0 | 0 | 0 | 113.7 | S923 E924 N925 | S923-S927 PolarHBondContact O-N 3.01Å; S923-S927 VanDerWaalsContact O-N 3.12Å; E924-S927 WeakPolarHBondContact O-CB 3.42Å; E924-S927 PolarHBondContact O-N 3.49Å; E924-S927 PolarHBondContact O-OG 2.94Å; N925-S927 VanDerWaalsContact C-N 3.28Å; N925-S927 PolarHBondContact O-N 3.35Å |
| 928 | L | 83 | Confident | 75.5 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -78.2 | 149.8 | 178.8 | -64.5 | 173.2 | 0 | 0 | 0 | 112 | E924 N925 E926 Q932 R933 | E924-L928 WeakPolarHBondContact O-CG 3.33Å; E924-L928 PolarHBondContact O-N 3.44Å; N925-L928 WeakPolarHBondContact O-CB 3.35Å; N925-L928 PolarHBondContact O-N 3.27Å; E926-L928 VanDerWaalsContact C-N 3.27Å; E926-L928 PolarHBondContact O-N 3.45Å; L928-Q932 HydrophobicContact CB-CB 4.12Å; L928-Q932 HydrophobicContact CD1-CB 4.49Å; L928-R933 PolarHBondContact O-NE 3.01Å |
| 929 | P | 76.3 | Confident | 75.2 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | trans | -56.9 | 149.1 | 173.3 | -22.2 | 32.2 | 0 | 0 | 0 | 112.5 | F931 Q932 R933 | P929-F931 HydrophobicContact CB-CD1 3.97Å; P929-F931 HydrophobicContact CB-CE1 3.78Å; P929-F931 HydrophobicContact CG-CE1 4.39Å; P929-F931 PolarHBondContact O-N 3.46Å; P929-Q932 PolarHBondContact O-N 3.02Å; P929-R933 PolarHBondContact O-N 3.48Å | ||
| 930 | E | 70.4 | Confident | 74.3 | Confident | 168 Ų | 168 | 96.7 Ų | 96.7 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.1 | -170 | -154.4 | 171 | -152.2 | 0 | 0 | 115 | ||
| 931 | F | 79.5 | Confident | 73.4 | Confident | 167 Ų | 167 | 102.7 Ų | 102.7 | 73% | 0.732 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.7 | 177.1 | 78.3 | -86.6 | 0 | 0 | 0 | 115 | P929 | P929-F931 HydrophobicContact CB-CD1 3.97Å; P929-F931 HydrophobicContact CB-CE1 3.78Å; P929-F931 HydrophobicContact CG-CE1 4.39Å; P929-F931 PolarHBondContact O-N 3.46Å |
| 932 | Q | 73.8 | Confident | 72.8 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -8.7 | 173.9 | -66.8 | -176.5 | -9.8 | 0 | 0 | 112.2 | L928 P929 I934 | L928-Q932 HydrophobicContact CB-CB 4.12Å; L928-Q932 HydrophobicContact CD1-CB 4.49Å; P929-Q932 PolarHBondContact O-N 3.02Å; Q932-I934 PolarHBondContact O-N 3.16Å |
| 933 | R | 69.2 | Low | 72.6 | Confident | 125 Ų | 125 | 105.5 Ų | 105.5 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 122.8 | 176.3 | -69.1 | -172.5 | 176.1 | 176.6 | -7.8 | 109.8 | N925 E926 L928 P929 | N925-R933 WeakPolarHBondContact O-CG 3.34Å; N925-R933 WeakPolarHBondContact OD1-CA 3.23Å; E926-R933 PolarHBondContact O-NE 3.23Å; E926-R933 PolarHBondContact O-NH2 2.91Å; L928-R933 PolarHBondContact O-NE 3.01Å; P929-R933 PolarHBondContact O-N 3.48Å |
| 934 | I | 75.3 | Confident | 72.4 | Confident | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.415 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 138.7 | 169 | -68.7 | 169.7 | 0 | 0 | 0 | 108.4 | N925 Q932 E938 F939 | N925-I934 PolarHBondContact ND2-O 3.49Å; N925-I934 PolarHBondContact OD1-N 2.95Å; Q932-I934 PolarHBondContact O-N 3.16Å; I934-E938 HydrophobicContact CG2-CB 3.47Å; I934-E938 VanDerWaalsContact CG2-CB 3.47Å; I934-E938 HydrophobicContact CG2-CG 4.41Å; I934-E938 WeakPolarHBondContact CG2-OE2 3.34Å; I934-F939 HydrophobicContact CB-CE2 4.03Å; I934-F939 HydrophobicContact CB-CZ 4.38Å; I934-F939 HydrophobicContact CG2-CD2 4.26Å; I934-F939 HydrophobicContact CG2-CE2 3.86Å; I934-F939 HydrophobicContact CG2-CZ 4.44Å |
| 935 | D | 69.4 | Low | 71.7 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 147.9 | -179.9 | -160.4 | -4.4 | 0 | 0 | 0 | 110.7 | L937 E938 | D935-L937 PolarHBondContact O-N 3.27Å; D935-L937 VanDerWaalsContact O-N 3.08Å; D935-E938 PolarHBondContact O-N 2.84Å |
| 936 | R | 68.8 | Low | 71 | Confident | 169 Ų | 169 | 109.4 Ų | 109.4 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -57.2 | -31 | -174.3 | -95.7 | -173.8 | 178.4 | 179.9 | 1.9 | 112.9 | E926 E938 F939 | E926-R936 IonicContact OE1-NH2 2.77Å; R936-E938 VanDerWaalsContact C-N 3.3Å; R936-E938 PolarHBondContact O-N 3.05Å; R936-F939 PolarHBondContact O-N 2.64Å |
| 937 | L | 63.9 | Low | 70.9 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -69.6 | -22.9 | 178.5 | -68.7 | 162.5 | 0 | 0 | 0 | 113.2 | D935 E940 | D935-L937 PolarHBondContact O-N 3.27Å; D935-L937 VanDerWaalsContact O-N 3.08Å; L937-E940 PolarHBondContact O-N 3.42Å |
| 938 | E | 67.4 | Low | 70.9 | Confident | 149 Ų | 149 | 108.5 Ų | 108.5 | 70% | 0.696 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -81.7 | -12.7 | 178.6 | -77 | -172.7 | 171 | 0 | 0 | 113.3 | I934 D935 R936 E940 | I934-E938 HydrophobicContact CG2-CB 3.47Å; I934-E938 VanDerWaalsContact CG2-CB 3.47Å; I934-E938 HydrophobicContact CG2-CG 4.41Å; I934-E938 WeakPolarHBondContact CG2-OE2 3.34Å; D935-E938 PolarHBondContact O-N 2.84Å; R936-E938 VanDerWaalsContact C-N 3.3Å; R936-E938 PolarHBondContact O-N 3.05Å; E938-E940 PolarHBondContact O-N 3.03Å |
| 939 | F | 68.1 | Low | 70.7 | Confident | 60 Ų | 60 | 109.7 Ų | 109.7 | 26% | 0.263 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -74.9 | -13.3 | 170.1 | -74.8 | -88 | 0 | 0 | 0 | 112.8 | M921 N925 I934 R936 L941 | M921-F939 HydrophobicContact CB-CD1 4.43Å; M921-F939 HydrophobicContact CB-CE1 3.95Å; N925-F939 HydrophobicContact CB-CE2 4.26Å; N925-F939 HydrophobicContact CB-CZ 3.7Å; N925-F939 VanDerWaalsContact ND2-CE2 3.31Å; N925-F939 WeakPolarHBondContact ND2-CE2 3.4Å; I934-F939 HydrophobicContact CB-CE2 4.03Å; I934-F939 HydrophobicContact CB-CZ 4.38Å; I934-F939 HydrophobicContact CG2-CD2 4.26Å; I934-F939 HydrophobicContact CG2-CE2 3.86Å; I934-F939 HydrophobicContact CG2-CZ 4.44Å; R936-F939 PolarHBondContact O-N 2.64Å; F939-L941 PolarHBondContact O-N 2.9Å |
| 940 | E | 60.6 | Low | 70.7 | Confident | 86 Ų | 86 | 110 Ų | 110 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | trans | -90.2 | 103.2 | -173.1 | -60.5 | 178.7 | 163 | 0 | 0 | 110 | L937 E938 D942 Q946 | L937-E940 PolarHBondContact O-N 3.42Å; E938-E940 PolarHBondContact O-N 3.03Å; E940-D942 PolarHBondContact O-N 3.5Å; E940-Q946 PolarHBondContact OE2-NE2 3.42Å | ||
| 941 | L | 58.7 | Low | 71.1 | Confident | 180 Ų | 180 | 107.6 Ų | 107.6 | 94% | 0.942 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -70.7 | -24.1 | -174.2 | -82.4 | 151.7 | 0 | 0 | 0 | 114.6 | F939 | F939-L941 PolarHBondContact O-N 2.9Š|
| 942 | D | 69 | Low | 71.2 | Confident | 85 Ų | 85 | 105.6 Ų | 105.6 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | trans | -121.5 | 83.6 | -174 | -158.8 | -25.5 | 0 | 0 | 0 | 112.6 | E940 D944 E945 Q946 | E940-D942 PolarHBondContact O-N 3.5Å; D942-D944 PolarHBondContact O-N 3.38Å; D942-D944 PolarHBondContact OD1-N 2.92Å; D942-D944 VanDerWaalsContact OD1-N 3.15Å; D942-E945 HydrophobicContact CB-CB 4.22Å; D942-E945 PolarHBondContact OD1-N 3.41Å; D942-Q946 PolarHBondContact O-N 3.11Å | ||
| 943 | V | 73.7 | Confident | 71.4 | Confident | 84 Ų | 84 | 103.7 Ų | 103.7 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -26.4 | 177 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | N947 | V943-N947 WeakPolarHBondContact O-CB 3.36Å; V943-N947 VanDerWaalsContact O-CG 3.23Å; V943-N947 PolarHBondContact O-N 3.14Å; V943-N947 VanDerWaalsContact O-N 3.1Å; V943-N947 PolarHBondContact O-ND2 3.43Å |
| 944 | D | 73.2 | Confident | 71.9 | Confident | 124 Ų | 124 | 104 Ų | 104 | 66% | 0.663 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.7 | -46.3 | -179.6 | -71.7 | -25.2 | 0 | 0 | 0 | 110.8 | D942 Q946 N947 V948 | D942-D944 PolarHBondContact O-N 3.38Å; D942-D944 PolarHBondContact OD1-N 2.92Å; D942-D944 VanDerWaalsContact OD1-N 3.15Å; D944-Q946 PolarHBondContact O-N 2.78Å; D944-N947 PolarHBondContact O-N 3.29Å; D944-V948 WeakPolarHBondContact O-CG2 3.34Å; D944-V948 PolarHBondContact O-N 2.77Å |
| 945 | E | 66.8 | Low | 72.2 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 176.3 | -161.8 | -177.6 | -154.8 | 0 | 0 | 111.6 | D942 N947 V948 I949 | D942-E945 HydrophobicContact CB-CB 4.22Å; D942-E945 PolarHBondContact OD1-N 3.41Å; E945-N947 VanDerWaalsContact C-N 3.32Å; E945-N947 PolarHBondContact O-N 3.15Å; E945-V948 CarbonylContact O-C 3.56Å; E945-V948 PolarHBondContact O-N 2.81Å; E945-I949 HydrophobicContact CG-CD1 4Å; E945-I949 HydrophobicContact CG-CG1 4.41Å; E945-I949 WeakPolarHBondContact O-CB 3.4Å; E945-I949 VanDerWaalsContact O-CG1 3.26Å; E945-I949 WeakPolarHBondContact O-CG1 3.04Å; E945-I949 PolarHBondContact O-N 3.07Å |
| 946 | Q | 66.1 | Low | 72.8 | Confident | 61 Ų | 61 | 106.4 Ų | 106.4 | 29% | 0.285 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 173.6 | -170.7 | -170.2 | 41.2 | 0 | 0 | 111.6 | E940 D942 D944 V948 I949 L950 | E940-Q946 PolarHBondContact OE2-NE2 3.42Å; D942-Q946 PolarHBondContact O-N 3.11Å; D944-Q946 PolarHBondContact O-N 2.78Å; Q946-V948 VanDerWaalsContact C-N 3.35Å; Q946-I949 PolarHBondContact O-N 3.49Å; Q946-L950 HydrophobicContact CG-CD1 4.05Å; Q946-L950 HydrophobicContact CG-CG 4.43Å; Q946-L950 VanDerWaalsContact O-CB 3.27Å; Q946-L950 WeakPolarHBondContact O-CB 3.38Å; Q946-L950 VanDerWaalsContact O-CG 3.27Å; Q946-L950 WeakPolarHBondContact O-CG 3.25Å; Q946-L950 PolarHBondContact O-N 3.19Å |
| 947 | N | 75.7 | Confident | 73.4 | Confident | 85 Ų | 85 | 101.5 Ų | 101.5 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.5 | -77.9 | -37.5 | 0 | 0 | 0 | 111.6 | V943 D944 E945 L950 E951 | V943-N947 WeakPolarHBondContact O-CB 3.36Å; V943-N947 VanDerWaalsContact O-CG 3.23Å; V943-N947 PolarHBondContact O-N 3.14Å; V943-N947 VanDerWaalsContact O-N 3.1Å; V943-N947 PolarHBondContact O-ND2 3.43Å; D944-N947 PolarHBondContact O-N 3.29Å; E945-N947 VanDerWaalsContact C-N 3.32Å; E945-N947 PolarHBondContact O-N 3.15Å; N947-L950 PolarHBondContact O-N 3.28Å; N947-E951 WeakPolarHBondContact O-CB 3.45Å; N947-E951 WeakPolarHBondContact O-CG 3.11Å; N947-E951 PolarHBondContact O-N 2.85Å |
| 948 | V | 79.7 | Confident | 74.1 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | D944 E945 Q946 E951 K952 | D944-V948 WeakPolarHBondContact O-CG2 3.34Å; D944-V948 PolarHBondContact O-N 2.77Å; E945-V948 CarbonylContact O-C 3.56Å; E945-V948 PolarHBondContact O-N 2.81Å; Q946-V948 VanDerWaalsContact C-N 3.35Å; V948-E951 PolarHBondContact O-N 2.93Å; V948-K952 WeakPolarHBondContact O-CB 3.33Å; V948-K952 PolarHBondContact O-N 3.22Å |
| 949 | I | 78.5 | Confident | 74.8 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 175.6 | -67.8 | 166.2 | 0 | 0 | 0 | 110.5 | E945 Q946 E951 K952 T953 | E945-I949 HydrophobicContact CG-CD1 4Å; E945-I949 HydrophobicContact CG-CG1 4.41Å; E945-I949 WeakPolarHBondContact O-CB 3.4Å; E945-I949 VanDerWaalsContact O-CG1 3.26Å; E945-I949 WeakPolarHBondContact O-CG1 3.04Å; E945-I949 PolarHBondContact O-N 3.07Å; Q946-I949 PolarHBondContact O-N 3.49Å; I949-E951 VanDerWaalsContact C-N 3.3Å; I949-E951 PolarHBondContact O-N 2.88Å; I949-K952 PolarHBondContact O-N 3Å; I949-T953 HydrophobicContact CG2-CG2 4.02Å; I949-T953 VanDerWaalsContact O-CB 3.31Å; I949-T953 WeakPolarHBondContact O-CB 3.44Å; I949-T953 VanDerWaalsContact O-CG2 3.24Å; I949-T953 WeakPolarHBondContact O-CG2 3.42Å; I949-T953 PolarHBondContact O-N 2.82Å; I949-T953 PolarHBondContact O-OG1 2.79Å |
| 950 | L | 76.5 | Confident | 75.6 | Confident | 74 Ų | 74 | 100.5 Ų | 100.5 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 174 | -79.2 | 168.1 | 0 | 0 | 0 | 111 | Q946 N947 T953 K954 | Q946-L950 HydrophobicContact CG-CD1 4.05Å; Q946-L950 HydrophobicContact CG-CG 4.43Å; Q946-L950 VanDerWaalsContact O-CB 3.27Å; Q946-L950 WeakPolarHBondContact O-CB 3.38Å; Q946-L950 VanDerWaalsContact O-CG 3.27Å; Q946-L950 WeakPolarHBondContact O-CG 3.25Å; Q946-L950 PolarHBondContact O-N 3.19Å; N947-L950 PolarHBondContact O-N 3.28Å; L950-T953 WeakPolarHBondContact CA-OG1 3.29Å; L950-T953 PolarHBondContact O-OG1 3.15Å; L950-T953 VanDerWaalsContact O-OG1 3.1Å; L950-K954 WeakPolarHBondContact O-CB 3.4Å; L950-K954 WeakPolarHBondContact O-CD 3.25Å; L950-K954 WeakPolarHBondContact O-CG 2.93Å; L950-K954 PolarHBondContact O-N 3.3Å |
| 951 | E | 79.5 | Confident | 76.7 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -42.3 | 172.1 | -78.2 | -162.1 | 169.9 | 0 | 0 | 112.7 | N947 V948 I949 K954 K955 | N947-E951 WeakPolarHBondContact O-CB 3.45Å; N947-E951 WeakPolarHBondContact O-CG 3.11Å; N947-E951 PolarHBondContact O-N 2.85Å; V948-E951 PolarHBondContact O-N 2.93Å; I949-E951 VanDerWaalsContact C-N 3.3Å; I949-E951 PolarHBondContact O-N 2.88Å; E951-K954 PolarHBondContact O-N 3.15Å; E951-K955 WeakPolarHBondContact O-CB 3.22Å; E951-K955 VanDerWaalsContact O-CG 3.27Å; E951-K955 WeakPolarHBondContact O-CG 3.08Å; E951-K955 PolarHBondContact O-N 3.25Å |
| 952 | K | 81.9 | Confident | 77.7 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -46.4 | 178.8 | -169.8 | -178.9 | 178.3 | -173.2 | 0 | 111.5 | V948 I949 K954 K955 E956 | V948-K952 WeakPolarHBondContact O-CB 3.33Å; V948-K952 PolarHBondContact O-N 3.22Å; I949-K952 PolarHBondContact O-N 3Å; K952-K954 PolarHBondContact O-N 3.14Å; K952-K955 CarbonylContact O-C 3.57Å; K952-K955 WeakPolarHBondContact O-CA 3.31Å; K952-K955 WeakPolarHBondContact O-CB 3.42Å; K952-K955 PolarHBondContact O-N 3.33Å; K952-E956 VanDerWaalsContact CE-OE1 3.26Å; K952-E956 WeakPolarHBondContact CE-OE1 3.47Å; K952-E956 WeakPolarHBondContact O-CG 3.42Å; K952-E956 PolarHBondContact O-N 2.87Å |
| 953 | T | 77.4 | Confident | 78.5 | Confident | 54 Ų | 54 | 101.4 Ų | 101.4 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 173.5 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | I949 L950 K955 E956 V957 | I949-T953 HydrophobicContact CG2-CG2 4.02Å; I949-T953 VanDerWaalsContact O-CB 3.31Å; I949-T953 WeakPolarHBondContact O-CB 3.44Å; I949-T953 VanDerWaalsContact O-CG2 3.24Å; I949-T953 WeakPolarHBondContact O-CG2 3.42Å; I949-T953 PolarHBondContact O-N 2.82Å; I949-T953 PolarHBondContact O-OG1 2.79Å; L950-T953 WeakPolarHBondContact CA-OG1 3.29Å; L950-T953 PolarHBondContact O-OG1 3.15Å; L950-T953 VanDerWaalsContact O-OG1 3.1Å; T953-K955 VanDerWaalsContact C-N 3.31Å; T953-K955 PolarHBondContact O-N 3.05Å; T953-E956 PolarHBondContact O-N 2.98Å; T953-V957 WeakPolarHBondContact O-CB 3.47Å; T953-V957 WeakPolarHBondContact O-CG2 3.39Å; T953-V957 PolarHBondContact O-N 2.74Å |
| 954 | K | 79.9 | Confident | 79.1 | Confident | 132 Ų | 132 | 101.5 Ų | 101.5 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 170.1 | -80.4 | 170.2 | -174.1 | 171.5 | 0 | 111.7 | L950 E951 K952 N958 | L950-K954 WeakPolarHBondContact O-CB 3.4Å; L950-K954 WeakPolarHBondContact O-CD 3.25Å; L950-K954 WeakPolarHBondContact O-CG 2.93Å; L950-K954 PolarHBondContact O-N 3.3Å; E951-K954 PolarHBondContact O-N 3.15Å; K952-K954 PolarHBondContact O-N 3.14Å; K954-N958 WeakPolarHBondContact O-CB 3.35Å; K954-N958 PolarHBondContact O-N 3.45Å; K954-N958 PolarHBondContact O-ND2 3.34Å; K954-N958 VanDerWaalsContact O-ND2 3.09Å |
| 955 | K | 80.9 | Confident | 79.5 | Confident | 138 Ų | 138 | 102.2 Ų | 102.2 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -48.4 | 175.2 | -74.2 | 168.5 | -173.8 | 167.9 | 0 | 111.6 | E951 K952 T953 N958 Q959 | E951-K955 WeakPolarHBondContact O-CB 3.22Å; E951-K955 VanDerWaalsContact O-CG 3.27Å; E951-K955 WeakPolarHBondContact O-CG 3.08Å; E951-K955 PolarHBondContact O-N 3.25Å; K952-K955 CarbonylContact O-C 3.57Å; K952-K955 WeakPolarHBondContact O-CA 3.31Å; K952-K955 WeakPolarHBondContact O-CB 3.42Å; K952-K955 PolarHBondContact O-N 3.33Å; T953-K955 VanDerWaalsContact C-N 3.31Å; T953-K955 PolarHBondContact O-N 3.05Å; K955-N958 CarbonylContact O-C 3.53Å; K955-N958 WeakPolarHBondContact O-CB 3.34Å; K955-N958 PolarHBondContact O-N 2.89Å; K955-Q959 WeakPolarHBondContact O-CB 3.22Å; K955-Q959 PolarHBondContact O-N 3.13Å |
| 956 | E | 82.3 | Confident | 80.3 | Confident | 102 Ų | 102 | 102 Ų | 102 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 178.6 | -73.3 | 174.4 | -172 | 0 | 0 | 112 | K952 T953 N958 Q959 L960 | K952-E956 VanDerWaalsContact CE-OE1 3.26Å; K952-E956 WeakPolarHBondContact CE-OE1 3.47Å; K952-E956 WeakPolarHBondContact O-CG 3.42Å; K952-E956 PolarHBondContact O-N 2.87Å; T953-E956 PolarHBondContact O-N 2.98Å; E956-N958 VanDerWaalsContact C-N 3.3Å; E956-N958 PolarHBondContact O-N 2.66Å; E956-Q959 CarbonylContact O-C 3.55Å; E956-Q959 WeakPolarHBondContact O-CB 3.35Å; E956-Q959 PolarHBondContact O-N 3.31Å; E956-Q959 VanDerWaalsContact O-N 3.09Å; E956-L960 WeakPolarHBondContact O-CB 3.46Å; E956-L960 PolarHBondContact O-N 2.65Å |
| 957 | V | 81 | Confident | 81.2 | Confident | 67 Ų | 67 | 105.7 Ų | 105.7 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | T953 Q959 R961 | T953-V957 WeakPolarHBondContact O-CB 3.47Å; T953-V957 WeakPolarHBondContact O-CG2 3.39Å; T953-V957 PolarHBondContact O-N 2.74Å; V957-Q959 VanDerWaalsContact C-N 3.33Å; V957-R961 HydrophobicContact CG1-CG 4.39Å; V957-R961 WeakPolarHBondContact O-CB 3.29Å; V957-R961 WeakPolarHBondContact O-CG 3.38Å; V957-R961 PolarHBondContact O-N 3.37Å |
| 958 | N | 80 | Confident | 81.6 | Confident | 84 Ų | 84 | 105 Ų | 105 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 173.5 | -78.8 | -25.1 | 0 | 0 | 0 | 112.1 | K954 K955 E956 K962 | K954-N958 WeakPolarHBondContact O-CB 3.35Å; K954-N958 PolarHBondContact O-N 3.45Å; K954-N958 PolarHBondContact O-ND2 3.34Å; K954-N958 VanDerWaalsContact O-ND2 3.09Å; K955-N958 CarbonylContact O-C 3.53Å; K955-N958 WeakPolarHBondContact O-CB 3.34Å; K955-N958 PolarHBondContact O-N 2.89Å; E956-N958 VanDerWaalsContact C-N 3.3Å; E956-N958 PolarHBondContact O-N 2.66Å; N958-K962 WeakPolarHBondContact O-CB 3.38Å; N958-K962 VanDerWaalsContact O-CG 3.24Å; N958-K962 WeakPolarHBondContact O-CG 3.47Å; N958-K962 PolarHBondContact O-N 3.01Å |
| 959 | Q | 81.6 | Confident | 81.9 | Confident | 117 Ų | 117 | 105.4 Ų | 105.4 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.3 | -48.2 | 176.6 | -171 | 167.1 | -8.8 | 0 | 0 | 111.4 | K955 E956 V957 R961 K962 E963 | K955-Q959 WeakPolarHBondContact O-CB 3.22Å; K955-Q959 PolarHBondContact O-N 3.13Å; E956-Q959 CarbonylContact O-C 3.55Å; E956-Q959 WeakPolarHBondContact O-CB 3.35Å; E956-Q959 PolarHBondContact O-N 3.31Å; E956-Q959 VanDerWaalsContact O-N 3.09Å; V957-Q959 VanDerWaalsContact C-N 3.33Å; Q959-R961 VanDerWaalsContact C-N 3.31Å; Q959-R961 PolarHBondContact O-N 3.4Å; Q959-K962 CarbonylContact O-C 3.58Å; Q959-K962 WeakPolarHBondContact O-CA 3.21Å; Q959-K962 WeakPolarHBondContact O-CB 3.43Å; Q959-K962 PolarHBondContact O-N 3.29Å; Q959-E963 PolarHBondContact O-N 2.66Å |
| 960 | L | 84.5 | Confident | 82.1 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 173.7 | -172.2 | 69.9 | 0 | 0 | 0 | 111.3 | E956 K962 E963 I964 | E956-L960 WeakPolarHBondContact O-CB 3.46Å; E956-L960 PolarHBondContact O-N 2.65Å; L960-K962 VanDerWaalsContact C-N 3.33Å; L960-K962 PolarHBondContact O-N 2.98Å; L960-E963 PolarHBondContact O-N 3.38Å; L960-I964 HydrophobicContact CD2-CD1 4.49Å; L960-I964 HydrophobicContact CG-CD1 4.01Å; L960-I964 WeakPolarHBondContact O-CB 3.47Å; L960-I964 VanDerWaalsContact O-CG1 3.3Å; L960-I964 WeakPolarHBondContact O-CG1 3.17Å; L960-I964 PolarHBondContact O-N 3.25Å |
| 961 | R | 82.9 | Confident | 82.6 | Confident | 141 Ų | 141 | 107 Ų | 107 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 171.6 | -80.1 | 175.1 | 178.7 | -177.4 | 0.3 | 112 | V957 Q959 K965 | V957-R961 HydrophobicContact CG1-CG 4.39Å; V957-R961 WeakPolarHBondContact O-CB 3.29Å; V957-R961 WeakPolarHBondContact O-CG 3.38Å; V957-R961 PolarHBondContact O-N 3.37Å; Q959-R961 VanDerWaalsContact C-N 3.31Å; Q959-R961 PolarHBondContact O-N 3.4Å; R961-K965 VanDerWaalsContact O-CB 3.25Å; R961-K965 WeakPolarHBondContact O-CB 3.49Å; R961-K965 WeakPolarHBondContact O-CG 3.19Å; R961-K965 PolarHBondContact O-N 3.46Å |
| 962 | K | 81.5 | Confident | 82.8 | Confident | 143 Ų | 143 | 106.1 Ų | 106.1 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 173.9 | -76.6 | 171.4 | -177.8 | -177.8 | 0 | 111 | N958 Q959 L960 K965 L966 | N958-K962 WeakPolarHBondContact O-CB 3.38Å; N958-K962 VanDerWaalsContact O-CG 3.24Å; N958-K962 WeakPolarHBondContact O-CG 3.47Å; N958-K962 PolarHBondContact O-N 3.01Å; Q959-K962 CarbonylContact O-C 3.58Å; Q959-K962 WeakPolarHBondContact O-CA 3.21Å; Q959-K962 WeakPolarHBondContact O-CB 3.43Å; Q959-K962 PolarHBondContact O-N 3.29Å; L960-K962 VanDerWaalsContact C-N 3.33Å; L960-K962 PolarHBondContact O-N 2.98Å; K962-K965 PolarHBondContact O-N 2.82Å; K962-L966 WeakPolarHBondContact O-CB 3.28Å; K962-L966 WeakPolarHBondContact O-CG 3.48Å; K962-L966 PolarHBondContact O-N 3.06Å |
| 963 | E | 84.7 | Confident | 83 | Confident | 86 Ų | 86 | 106.9 Ų | 106.9 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 177.8 | -74.1 | 176.4 | -167 | 0 | 0 | 112.8 | Q959 L960 K965 L966 K967 | Q959-E963 PolarHBondContact O-N 2.66Å; L960-E963 PolarHBondContact O-N 3.38Å; E963-K965 VanDerWaalsContact C-N 3.33Å; E963-L966 WeakPolarHBondContact O-CB 3.37Å; E963-L966 PolarHBondContact O-N 3.11Å; E963-L966 VanDerWaalsContact O-N 3.17Å; E963-K967 WeakPolarHBondContact O-CG 3.38Å; E963-K967 PolarHBondContact O-N 2.7Å |
| 964 | I | 85.5 | Confident | 83.2 | Confident | 85 Ų | 85 | 108 Ų | 108 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 174.5 | -68 | 167.6 | 0 | 0 | 0 | 109.3 | L960 L966 K967 D968 | L960-I964 HydrophobicContact CD2-CD1 4.49Å; L960-I964 HydrophobicContact CG-CD1 4.01Å; L960-I964 WeakPolarHBondContact O-CB 3.47Å; L960-I964 VanDerWaalsContact O-CG1 3.3Å; L960-I964 WeakPolarHBondContact O-CG1 3.17Å; L960-I964 PolarHBondContact O-N 3.25Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.35Å; I964-K967 PolarHBondContact O-N 2.7Å; I964-D968 WeakPolarHBondContact O-CB 3.5Å; I964-D968 VanDerWaalsContact O-CG 3.31Å; I964-D968 PolarHBondContact O-N 2.85Å |
| 965 | K | 83.4 | Confident | 83.4 | Confident | 140 Ų | 140 | 107.8 Ų | 107.8 | 61% | 0.609 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.2 | -38.9 | 173.9 | -76.5 | 176.3 | -178.8 | -172.9 | 0 | 112.5 | R961 K962 E963 L969 | R961-K965 VanDerWaalsContact O-CB 3.25Å; R961-K965 WeakPolarHBondContact O-CB 3.49Å; R961-K965 WeakPolarHBondContact O-CG 3.19Å; R961-K965 PolarHBondContact O-N 3.46Å; K962-K965 PolarHBondContact O-N 2.82Å; E963-K965 VanDerWaalsContact C-N 3.33Å; K965-L969 WeakPolarHBondContact O-CB 3.38Å; K965-L969 WeakPolarHBondContact O-CD1 3.01Å; K965-L969 WeakPolarHBondContact O-CG 3.45Å; K965-L969 PolarHBondContact O-N 3.3Å |
| 966 | L | 83.4 | Confident | 83.5 | Confident | 112 Ų | 112 | 106.2 Ų | 106.2 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 176.2 | -86.2 | 158.5 | 0 | 0 | 0 | 112.1 | K962 E963 I964 L969 A970 | K962-L966 WeakPolarHBondContact O-CB 3.28Å; K962-L966 WeakPolarHBondContact O-CG 3.48Å; K962-L966 PolarHBondContact O-N 3.06Å; E963-L966 WeakPolarHBondContact O-CB 3.37Å; E963-L966 PolarHBondContact O-N 3.11Å; E963-L966 VanDerWaalsContact O-N 3.17Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.35Å; L966-L969 WeakPolarHBondContact O-CB 3.35Å; L966-L969 PolarHBondContact O-N 3.15Å; L966-A970 WeakPolarHBondContact O-CB 3.29Å; L966-A970 PolarHBondContact O-N 3.14Å |
| 967 | K | 83.8 | Confident | 83.6 | Confident | 139 Ų | 139 | 103 Ų | 103 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 175.2 | -75.5 | -179.7 | -179.4 | 174.6 | 0 | 111.5 | E963 I964 L969 A970 K971 | E963-K967 WeakPolarHBondContact O-CG 3.38Å; E963-K967 PolarHBondContact O-N 2.7Å; I964-K967 PolarHBondContact O-N 2.7Å; K967-L969 VanDerWaalsContact C-N 3.34Å; K967-A970 PolarHBondContact O-N 2.87Å; K967-K971 WeakPolarHBondContact O-CG 3.14Å; K967-K971 PolarHBondContact O-N 2.74Å |
| 968 | D | 85 | Confident | 83.7 | Confident | 72 Ų | 72 | 105 Ų | 105 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.5 | -71.8 | -16.6 | 0 | 0 | 0 | 110.7 | I964 K971 Q972 | I964-D968 WeakPolarHBondContact O-CB 3.5Å; I964-D968 VanDerWaalsContact O-CG 3.31Å; I964-D968 PolarHBondContact O-N 2.85Å; D968-K971 PolarHBondContact O-N 3.06Å; D968-Q972 VanDerWaalsContact O-CB 3.22Å; D968-Q972 WeakPolarHBondContact O-CB 2.9Å; D968-Q972 WeakPolarHBondContact O-CG 3.42Å; D968-Q972 PolarHBondContact O-N 2.86Å |
| 969 | L | 86.3 | Confident | 84 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 171.5 | -84 | 165.6 | 0 | 0 | 0 | 112.1 | K965 L966 K967 Q972 F973 | K965-L969 WeakPolarHBondContact O-CB 3.38Å; K965-L969 WeakPolarHBondContact O-CD1 3.01Å; K965-L969 WeakPolarHBondContact O-CG 3.45Å; K965-L969 PolarHBondContact O-N 3.3Å; L966-L969 WeakPolarHBondContact O-CB 3.35Å; L966-L969 PolarHBondContact O-N 3.15Å; K967-L969 VanDerWaalsContact C-N 3.34Å; L969-Q972 PolarHBondContact O-N 2.79Å; L969-F973 WeakPolarHBondContact O-CB 3.45Å; L969-F973 PolarHBondContact O-N 3.18Å |
| 970 | A | 82.9 | Confident | 84 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L966 K967 F973 T974 | L966-A970 WeakPolarHBondContact O-CB 3.29Å; L966-A970 PolarHBondContact O-N 3.14Å; K967-A970 PolarHBondContact O-N 2.87Å; A970-F973 PolarHBondContact O-N 3.44Å; A970-T974 WeakPolarHBondContact O-CG2 3.48Å; A970-T974 PolarHBondContact O-N 2.94Å; A970-T974 PolarHBondContact O-OG1 3.11Å |
| 971 | K | 86.9 | Confident | 83.8 | Confident | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 173.2 | -72.2 | 176.7 | -178.8 | 178.4 | 0 | 111.9 | K967 D968 F973 T974 W975 | K967-K971 WeakPolarHBondContact O-CG 3.14Å; K967-K971 PolarHBondContact O-N 2.74Å; D968-K971 PolarHBondContact O-N 3.06Å; K971-F973 VanDerWaalsContact C-N 3.31Å; K971-T974 PolarHBondContact O-OG1 2.94Å; K971-T974 VanDerWaalsContact O-OG1 3.07Å; K971-W975 WeakPolarHBondContact O-CB 3.3Å; K971-W975 PolarHBondContact O-N 2.87Å |
| 972 | Q | 83.3 | Confident | 83.7 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 174 | -77 | 170.8 | 13 | 0 | 0 | 110.9 | D968 L969 Q976 | D968-Q972 VanDerWaalsContact O-CB 3.22Å; D968-Q972 WeakPolarHBondContact O-CB 2.9Å; D968-Q972 WeakPolarHBondContact O-CG 3.42Å; D968-Q972 PolarHBondContact O-N 2.86Å; L969-Q972 PolarHBondContact O-N 2.79Å; Q972-Q976 WeakPolarHBondContact O-CB 3.49Å; Q972-Q976 WeakPolarHBondContact O-CG 3.45Å; Q972-Q976 PolarHBondContact O-N 2.95Å |
| 973 | F | 85.2 | Confident | 83.9 | Confident | 141 Ų | 141 | 94 Ų | 94 | 62% | 0.618 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.4 | -47 | 176.5 | 179.4 | -95.5 | 0 | 0 | 0 | 112.1 | L969 A970 K971 Q976 A977 | L969-F973 WeakPolarHBondContact O-CB 3.45Å; L969-F973 PolarHBondContact O-N 3.18Å; A970-F973 PolarHBondContact O-N 3.44Å; K971-F973 VanDerWaalsContact C-N 3.31Å; F973-Q976 PolarHBondContact O-N 3.05Å; F973-A977 WeakPolarHBondContact O-CB 3.48Å; F973-A977 PolarHBondContact O-N 3.4Å |
| 974 | T | 82 | Confident | 83.8 | Confident | 77 Ų | 77 | 94 Ų | 94 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | A970 K971 A977 I978 | A970-T974 WeakPolarHBondContact O-CG2 3.48Å; A970-T974 PolarHBondContact O-N 2.94Å; A970-T974 PolarHBondContact O-OG1 3.11Å; K971-T974 PolarHBondContact O-OG1 2.94Å; K971-T974 VanDerWaalsContact O-OG1 3.07Å; T974-A977 PolarHBondContact O-N 3.35Å; T974-I978 WeakPolarHBondContact O-CB 3.25Å; T974-I978 WeakPolarHBondContact O-CG1 3.16Å; T974-I978 PolarHBondContact O-N 2.82Å |
| 975 | W | 83.4 | Confident | 83.6 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 49% | 0.485 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 171.9 | 169.8 | 78.4 | 0 | 0 | 0 | 111.3 | K971 A977 K979 | K971-W975 WeakPolarHBondContact O-CB 3.3Å; K971-W975 PolarHBondContact O-N 2.87Å; W975-A977 PolarHBondContact O-N 3.49Å; W975-K979 HydrophobicContact CH2-CD 4.2Å; W975-K979 HydrophobicContact CZ2-CD 3.73Å; W975-K979 WeakPolarHBondContact O-CB 3.48Å; W975-K979 PolarHBondContact O-N 3.3Å |
| 976 | Q | 84.8 | Confident | 83.8 | Confident | 106 Ų | 106 | 90 Ų | 90 | 50% | 0.495 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.5 | -82.5 | 172.8 | -4.6 | 0 | 0 | 112 | Q972 F973 S980 | Q972-Q976 WeakPolarHBondContact O-CB 3.49Å; Q972-Q976 WeakPolarHBondContact O-CG 3.45Å; Q972-Q976 PolarHBondContact O-N 2.95Å; F973-Q976 PolarHBondContact O-N 3.05Å; Q976-S980 WeakPolarHBondContact O-CA 3.13Å; Q976-S980 WeakPolarHBondContact O-CB 3.4Å; Q976-S980 PolarHBondContact O-N 2.92Å; Q976-S980 PolarHBondContact O-OG 2.83Å; Q976-S980 VanDerWaalsContact O-OG 3.07Å |
| 977 | A | 82.9 | Confident | 83.8 | Confident | 34 Ų | 34 | 90.9 Ų | 90.9 | 28% | 0.281 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.3 | -45.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F973 T974 W975 S980 Q981 | F973-A977 WeakPolarHBondContact O-CB 3.48Å; F973-A977 PolarHBondContact O-N 3.4Å; T974-A977 PolarHBondContact O-N 3.35Å; W975-A977 PolarHBondContact O-N 3.49Å; A977-S980 WeakPolarHBondContact CA-OG 3.37Å; A977-S980 PolarHBondContact O-N 2.97Å; A977-S980 PolarHBondContact O-OG 2.83Å; A977-Q981 WeakPolarHBondContact O-CB 3.38Å; A977-Q981 PolarHBondContact O-N 2.87Å |
| 978 | I | 84.5 | Confident | 83.9 | Confident | 110 Ų | 110 | 85.5 Ų | 85.5 | 56% | 0.564 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 175.3 | -66.6 | 168.6 | 0 | 0 | 0 | 109.5 | T974 S980 Q981 C982 | T974-I978 WeakPolarHBondContact O-CB 3.25Å; T974-I978 WeakPolarHBondContact O-CG1 3.16Å; T974-I978 PolarHBondContact O-N 2.82Å; I978-S980 VanDerWaalsContact C-N 3.33Å; I978-S980 PolarHBondContact O-N 3.42Å; I978-Q981 PolarHBondContact O-N 3Å; I978-C982 WeakPolarHBondContact O-CB 3.38Å; I978-C982 PolarHBondContact O-N 2.86Å |
| 979 | K | 84.8 | Confident | 84 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -61.2 | -43 | 176.9 | -171.8 | -176.7 | 174 | -177.5 | 0 | 110.7 | W975 W983 D984 F1174 | W975-K979 HydrophobicContact CH2-CD 4.2Å; W975-K979 HydrophobicContact CZ2-CD 3.73Å; W975-K979 WeakPolarHBondContact O-CB 3.48Å; W975-K979 PolarHBondContact O-N 3.3Å; K979-W983 HydrophobicContact CG-CB 4.17Å; K979-W983 CarbonylContact O-C 3.55Å; K979-W983 VanDerWaalsContact O-CA 3.25Å; K979-W983 WeakPolarHBondContact O-CA 3.31Å; K979-W983 VanDerWaalsContact O-CB 3.26Å; K979-W983 WeakPolarHBondContact O-CB 3.4Å; K979-W983 PolarHBondContact O-N 2.84Å; K979-D984 WeakPolarHBondContact CE-OD1 2.99Å; K979-D984 PolarHBondContact O-N 3.05Å; K979-F1174 HydrophobicContact CG-CE1 4.39Å |
| 980 | S | 81.4 | Confident | 84.1 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | I | π-helix | trans | -64.3 | -48.4 | -179.4 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | Q976 A977 I978 E985 | Q976-S980 WeakPolarHBondContact O-CA 3.13Å; Q976-S980 WeakPolarHBondContact O-CB 3.4Å; Q976-S980 PolarHBondContact O-N 2.92Å; Q976-S980 PolarHBondContact O-OG 2.83Å; Q976-S980 VanDerWaalsContact O-OG 3.07Å; A977-S980 WeakPolarHBondContact CA-OG 3.37Å; A977-S980 PolarHBondContact O-N 2.97Å; A977-S980 PolarHBondContact O-OG 2.83Å; I978-S980 VanDerWaalsContact C-N 3.33Å; I978-S980 PolarHBondContact O-N 3.42Å; S980-E985 WeakPolarHBondContact O-CB 3.35Å; S980-E985 WeakPolarHBondContact O-CG 3.26Å; S980-E985 PolarHBondContact O-N 3.15Å |
| 981 | Q | 81.4 | Confident | 84.4 | Confident | 127 Ų | 127 | 81.2 Ų | 81.2 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | I | π-helix | trans | -77.6 | -38.9 | -173.9 | -170.6 | 178.5 | 2.3 | 0 | 0 | 113.1 | A977 I978 | A977-Q981 WeakPolarHBondContact O-CB 3.38Å; A977-Q981 PolarHBondContact O-N 2.87Å; I978-Q981 PolarHBondContact O-N 3Å |
| 982 | C | 81.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 74.8 Ų | 74.8 | 47% | 0.473 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -96.6 | -28.1 | -174.4 | -60.3 | 0 | 0 | 0 | 0 | 113.2 | I978 M986 | I978-C982 WeakPolarHBondContact O-CB 3.38Å; I978-C982 PolarHBondContact O-N 2.86Å; C982-M986 WeakPolarHBondContact O-CE 3.31Å |
| 983 | W | 84.9 | Confident | 84.9 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 16% | 0.163 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -113.9 | -62.9 | -176.9 | -172 | -97.6 | 0 | 0 | 0 | 112.3 | K979 E985 M986 K989 P1170 E1171 F1174 | K979-W983 HydrophobicContact CG-CB 4.17Å; K979-W983 CarbonylContact O-C 3.55Å; K979-W983 VanDerWaalsContact O-CA 3.25Å; K979-W983 WeakPolarHBondContact O-CA 3.31Å; K979-W983 VanDerWaalsContact O-CB 3.26Å; K979-W983 WeakPolarHBondContact O-CB 3.4Å; K979-W983 PolarHBondContact O-N 2.84Å; W983-E985 PolarHBondContact O-N 2.85Å; W983-M986 WeakPolarHBondContact O-CB 3.36Å; W983-M986 PolarHBondContact O-N 2.93Å; W983-K989 HydrophobicContact CD2-CD 3.93Å; W983-K989 HydrophobicContact CE3-CD 4.29Å; W983-K989 HydrophobicContact CG-CD 4.45Å; W983-K989 HydrophobicContact CH2-CB 3.67Å; W983-K989 HydrophobicContact CH2-CD 4.23Å; W983-K989 HydrophobicContact CH2-CG 3.86Å; W983-K989 HydrophobicContact CZ2-CB 3.99Å; W983-K989 HydrophobicContact CZ2-CD 3.84Å; W983-K989 HydrophobicContact CZ2-CG 3.63Å; W983-K989 HydrophobicContact CZ3-CB 4.05Å; W983-K989 HydrophobicContact CZ3-CD 4.43Å; W983-K989 HydrophobicContact CZ3-CG 4.43Å; W983-K989 PolarHBondContact O-NZ 2.84Å; W983-P1170 HydrophobicContact CH2-CB 3.98Å; W983-P1170 HydrophobicContact CH2-CG 3.94Å; W983-P1170 HydrophobicContact CZ3-CB 4.17Å; W983-P1170 HydrophobicContact CZ3-CG 4.34Å; W983-E1171 HydrophobicContact CH2-CG 4.32Å; W983-E1171 HydrophobicContact CZ2-CG 3.78Å; W983-F1174 HydrophobicContact CB-CZ 4.22Å; W983-F1174 AromaticContact CD2-CE2 3.57Å; W983-F1174 HydrophobicContact CD2-CE2 3.57Å; W983-F1174 AromaticContact CD2-CZ 3.73Å; W983-F1174 HydrophobicContact CD2-CZ 3.73Å; W983-F1174 AromaticContact CE2-CE2 3.47Å; W983-F1174 VanDerWaalsContact CE2-CE2 3.47Å; W983-F1174 AromaticContact CE3-CE2 3.97Å; W983-F1174 HydrophobicContact CE3-CE2 3.97Å; W983-F1174 HydrophobicContact CE3-CZ 4.1Å; W983-F1174 AromaticContact CG-CE2 3.99Å; W983-F1174 HydrophobicContact CG-CE2 3.99Å; W983-F1174 AromaticContact CG-CZ 3.79Å; W983-F1174 HydrophobicContact CG-CZ 3.79Å; W983-F1174 HydrophobicContact CH2-CE2 4.17Å; W983-F1174 AromaticContact CZ2-CE2 3.81Å; W983-F1174 HydrophobicContact CZ2-CE2 3.81Å; W983-F1174 HydrophobicContact CZ3-CE2 4.25Å; W983-F1174 AromaticContact NE1-CE2 3.8Å |
| 984 | D | 82.6 | Confident | 85 | Confident | 88 Ų | 88 | 66 Ų | 66 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -64 | -35.1 | -169.9 | -58.6 | -30.5 | 0 | 0 | 0 | 113.1 | K979 M986 | K979-D984 WeakPolarHBondContact CE-OD1 2.99Å; K979-D984 PolarHBondContact O-N 3.05Å; D984-M986 PolarHBondContact O-N 2.86Å |
| 985 | E | 81.9 | Confident | 85.3 | Confident | 93 Ų | 93 | 63 Ų | 63 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.7 | 174 | -86.1 | -177.2 | -159.1 | 0 | 0 | 114.1 | S980 W983 K1008 | S980-E985 WeakPolarHBondContact O-CB 3.35Å; S980-E985 WeakPolarHBondContact O-CG 3.26Å; S980-E985 PolarHBondContact O-N 3.15Å; W983-E985 PolarHBondContact O-N 2.85Å; E985-K1008 IonicContact OE2-NZ 3.79Å; E985-K1008 PolarHBondContact OE2-NZ 3.05Å |
| 986 | M | 86.5 | Confident | 85.4 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.3 | 179.5 | -61.4 | -172.4 | 177.1 | 0 | 0 | 110.4 | C982 W983 D984 K989 P1006 L1007 | C982-M986 WeakPolarHBondContact O-CE 3.31Å; W983-M986 WeakPolarHBondContact O-CB 3.36Å; W983-M986 PolarHBondContact O-N 2.93Å; D984-M986 PolarHBondContact O-N 2.86Å; M986-K989 HydrophobicContact CB-CD 4.19Å; M986-K989 PolarHBondContact O-NZ 2.97Å; M986-P1006 HydrophobicContact CE-CB 4.33Å; M986-P1006 HydrophobicContact SD-CB 3.77Å; M986-L1007 CarbonylContact C-O 3.56Å |
| 987 | F | 83.8 | Confident | 85.3 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -44.6 | 172.1 | 171.8 | -111.8 | 0 | 0 | 0 | 111.2 | L1007 N1009 | F987-L1007 PolarHBondContact N-O 2.88Å; F987-N1009 VanDerWaalsContact CB-OD1 3.32Å; F987-N1009 WeakPolarHBondContact CB-OD1 2.92Å; F987-N1009 WeakPolarHBondContact CD2-OD1 3.31Å; F987-N1009 WeakPolarHBondContact CG-OD1 3.07Å |
| 988 | V | 87.4 | Confident | 85.3 | Confident | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.6 | 170.7 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | P1006 L1007 | V988-P1006 WeakPolarHBondContact O-CA 3.26Å; V988-L1007 HydrophobicContact CB-CB 4.14Å; V988-L1007 HydrophobicContact CG2-CB 4.15Å; V988-L1007 HydrophobicContact CG2-CD1 4.36Å; V988-L1007 PolarHBondContact N-O 2.95Å; V988-L1007 VanDerWaalsContact N-O 3.09Å; V988-L1007 PolarHBondContact O-N 3.09Å |
| 989 | K | 87 | Confident | 85.3 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 19% | 0.187 | 33% | 0.328 | C | S | . | . | trans | -77 | 142.8 | 178.7 | -52.1 | -54 | -173.1 | -166 | 0 | 110.4 | W983 M986 R991 N1004 | W983-K989 HydrophobicContact CD2-CD 3.93Å; W983-K989 HydrophobicContact CE3-CD 4.29Å; W983-K989 HydrophobicContact CG-CD 4.45Å; W983-K989 HydrophobicContact CH2-CB 3.67Å; W983-K989 HydrophobicContact CH2-CD 4.23Å; W983-K989 HydrophobicContact CH2-CG 3.86Å; W983-K989 HydrophobicContact CZ2-CB 3.99Å; W983-K989 HydrophobicContact CZ2-CD 3.84Å; W983-K989 HydrophobicContact CZ2-CG 3.63Å; W983-K989 HydrophobicContact CZ3-CB 4.05Å; W983-K989 HydrophobicContact CZ3-CD 4.43Å; W983-K989 HydrophobicContact CZ3-CG 4.43Å; W983-K989 PolarHBondContact O-NZ 2.84Å; M986-K989 HydrophobicContact CB-CD 4.19Å; M986-K989 PolarHBondContact O-NZ 2.97Å; K989-R991 PolarHBondContact O-N 3.21Å; K989-N1004 PolarHBondContact O-ND2 3.12Å; K989-N1004 PolarHBondContact O-OD1 2.98Å | ||
| 990 | G | 88.4 | Confident | 85.3 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | trans | -66 | 121.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1004 P1170 | G990-N1004 VanDerWaalsContact CA-OD1 3.3Å; G990-N1004 WeakPolarHBondContact CA-OD1 3.15Å; G990-P1170 VanDerWaalsContact O-CG 3.28Å; G990-P1170 WeakPolarHBondContact O-CG 3.41Å | ||
| 991 | R | 89 | Confident | 85.7 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | trans | -134.1 | 159.7 | 177.5 | -64.1 | -174.6 | -178.8 | 176.1 | -1.8 | 109.6 | K989 S1003 N1004 F1122 P1170 E1171 | K989-R991 PolarHBondContact O-N 3.21Å; R991-S1003 WeakPolarHBondContact O-CA 3.17Å; R991-N1004 PolarHBondContact N-OD1 2.79Å; R991-N1004 PolarHBondContact O-N 2.91Å; R991-N1004 VanDerWaalsContact O-N 3.11Å; R991-N1004 PolarHBondContact O-OD1 2.81Å; R991-F1122 HydrophobicContact CB-CE1 4.05Å; R991-F1122 HydrophobicContact CB-CZ 4.16Å; R991-P1170 HydrophobicContact CG-CG 3.99Å; R991-E1171 IonicContact CZ-OE1 3.71Å; R991-E1171 IonicContact NH2-OE1 2.85Å; R991-E1171 PolarHBondContact NH2-OE1 2.92Å | ||
| 992 | C | 89.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159 | 171.6 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | K1001 V1002 D1167 E1168 | C992-K1001 HydrophobicContact CB-CD 4.45Å; C992-K1001 VanDerWaalsContact CB-CE 3.46Å; C992-K1001 HydrophobicContact CB-CG 4.16Å; C992-K1001 WeakPolarHBondContact SG-CE 3.38Å; C992-V1002 CarbonylContact C-O 3.49Å; C992-V1002 VanDerWaalsContact CA-O 3.24Å; C992-V1002 WeakPolarHBondContact CA-O 3.5Å; C992-V1002 WeakPolarHBondContact CB-O 3.34Å; C992-D1167 PolarHBondContact N-O 2.83Å; C992-D1167 VanDerWaalsContact SG-C 3.5Å; C992-D1167 WeakPolarHBondContact SG-CB 3.35Å; C992-D1167 PolarHBondContact SG-O 3.3Å; C992-E1168 VanDerWaalsContact O-CA 3.25Å; C992-E1168 WeakPolarHBondContact O-CA 3.25Å; C992-E1168 VanDerWaalsContact O-CB 3.31Å; C992-E1168 WeakPolarHBondContact O-CB 3.27Å; C992-E1168 VanDerWaalsContact O-CG 3.29Å; C992-E1168 WeakPolarHBondContact O-CG 2.98Å |
| 993 | L | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.7 | 173.5 | -77.2 | 171.5 | 0 | 0 | 0 | 108.7 | K1001 V1002 F1122 V1125 Y1126 K1129 E1168 L1305 L1308 | L993-K1001 WeakPolarHBondContact O-CA 3.37Å; L993-V1002 PolarHBondContact N-O 2.78Å; L993-V1002 PolarHBondContact O-N 2.89Å; L993-F1122 HydrophobicContact CB-CE2 4.08Å; L993-F1122 HydrophobicContact CB-CZ 4.34Å; L993-F1122 HydrophobicContact CD1-CD2 3.99Å; L993-F1122 HydrophobicContact CD1-CE1 4.34Å; L993-F1122 HydrophobicContact CD1-CE2 3.64Å; L993-F1122 HydrophobicContact CD1-CG 4.48Å; L993-F1122 HydrophobicContact CD1-CZ 3.85Å; L993-F1122 HydrophobicContact CG-CE1 4.37Å; L993-F1122 HydrophobicContact CG-CE2 3.71Å; L993-F1122 HydrophobicContact CG-CZ 3.62Å; L993-V1125 HydrophobicContact CD1-CB 4.21Å; L993-V1125 HydrophobicContact CD1-CG1 3.96Å; L993-Y1126 HydrophobicContact CD2-CD2 3.77Å; L993-Y1126 HydrophobicContact CG-CD2 4.42Å; L993-K1129 HydrophobicContact CD2-CB 4.37Å; L993-K1129 HydrophobicContact CD2-CD 3.71Å; L993-E1168 WeakPolarHBondContact CA-OE1 3.43Å; L993-L1305 HydrophobicContact CB-CD1 3.8Å; L993-L1305 HydrophobicContact CD1-CD1 4.39Å; L993-L1308 HydrophobicContact CD1-CD2 4.36Å |
| 994 | K | 88.6 | Confident | 87 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.7 | 174.6 | -63 | -178.7 | -174.4 | 173.4 | 0 | 110.5 | K1129 D1165 D1167 E1168 L1305 | K994-K1129 PolarHBondContact O-NZ 3.03Å; K994-D1165 WeakPolarHBondContact CD-OD2 3.47Å; K994-D1165 IonicContact NZ-OD2 3.92Å; K994-D1165 PolarHBondContact NZ-OD2 2.9Å; K994-D1167 WeakPolarHBondContact CE-OD2 3.45Å; K994-D1167 IonicContact NZ-OD2 2.91Å; K994-D1167 PolarHBondContact NZ-OD2 2.82Å; K994-E1168 PolarHBondContact N-OE1 3.17Å; K994-L1305 VanDerWaalsContact C-CD2 3.5Å |
| 995 | A | 87.3 | Confident | 87.5 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | trans | -69.5 | 158.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L998 I1000 D1302 L1305 | A995-L998 HydrophobicContact CB-CB 3.85Å; A995-L998 WeakPolarHBondContact CB-O 3Å; A995-I1000 HydrophobicContact CB-CB 4.36Å; A995-I1000 PolarHBondContact N-O 3.47Å; A995-I1000 VanDerWaalsContact N-O 3.11Å; A995-D1302 VanDerWaalsContact CA-OD1 3.29Å; A995-D1302 WeakPolarHBondContact CA-OD1 3.35Å; A995-D1302 HydrophobicContact CB-CB 4.37Å; A995-D1302 WeakPolarHBondContact CB-OD1 3.19Å; A995-L1305 HydrophobicContact CB-CD2 3.68Å | ||
| 996 | F | 85.4 | Confident | 87.9 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -76.6 | -48 | 178.9 | -70.9 | -71.2 | 0 | 0 | 0 | 111.9 | L1133 I1136 P1162 K1298 F1301 D1302 | F996-L1133 HydrophobicContact CE1-CD2 3.83Å; F996-L1133 HydrophobicContact CZ-CD2 3.92Å; F996-L1133 HydrophobicContact CZ-CG 4.31Å; F996-I1136 HydrophobicContact CZ-CD1 4.31Å; F996-P1162 HydrophobicContact CE1-CB 4.43Å; F996-K1298 HydrophobicContact CB-CB 3.95Å; F996-K1298 HydrophobicContact CB-CD 4.13Å; F996-K1298 HydrophobicContact CB-CG 3.9Å; F996-K1298 HydrophobicContact CD1-CG 4.4Å; F996-K1298 HydrophobicContact CD2-CB 4.01Å; F996-K1298 HydrophobicContact CD2-CG 3.97Å; F996-K1298 HydrophobicContact CG-CB 4.16Å; F996-K1298 HydrophobicContact CG-CD 4.47Å; F996-K1298 HydrophobicContact CG-CG 3.84Å; F996-F1301 HydrophobicContact CD2-CB 4.2Å; F996-F1301 AromaticContact CD2-CD1 3.63Å; F996-F1301 HydrophobicContact CD2-CD1 3.63Å; F996-F1301 HydrophobicContact CD2-CG 4.23Å; F996-F1301 HydrophobicContact CE2-CB 3.97Å; F996-F1301 AromaticContact CE2-CD1 3.48Å; F996-F1301 HydrophobicContact CE2-CD1 3.48Å; F996-F1301 VanDerWaalsContact CE2-CD1 3.48Å; F996-F1301 HydrophobicContact CE2-CE1 4.25Å; F996-F1301 AromaticContact CE2-CG 3.82Å; F996-F1301 HydrophobicContact CE2-CG 3.82Å; F996-D1302 PolarHBondContact N-OD1 2.77Å |
| 997 | N | 83.4 | Confident | 88.1 | Confident | 97 Ų | 97 | 48.9 Ų | 48.9 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -110.5 | -27.7 | -175.6 | -63.2 | -22.2 | 0 | 0 | 0 | 112.3 | D1302 | N997-D1302 WeakPolarHBondContact CB-OD2 3.21Å; N997-D1302 PolarHBondContact N-OD2 3.18Å |
| 998 | L | 82.2 | Confident | 88.1 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 41% | 0.414 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -91 | 147.3 | 179.7 | -59.9 | 177.1 | 0 | 0 | 0 | 112.6 | A995 I1000 D1302 | A995-L998 HydrophobicContact CB-CB 3.85Å; A995-L998 WeakPolarHBondContact CB-O 3Å; L998-I1000 HydrophobicContact CB-CD1 4.1Å; L998-I1000 HydrophobicContact CB-CG1 4.1Å; L998-I1000 HydrophobicContact CD1-CD1 3.86Å; L998-I1000 PolarHBondContact O-N 2.77Å; L998-D1302 HydrophobicContact CD1-CB 4.05Å; L998-D1302 HydrophobicContact CG-CB 4.36Å; L998-D1302 PolarHBondContact N-OD2 3.49Å |
| 999 | P | 84.4 | Confident | 87.8 | Confident | 136 Ų | 136 | 51.3 Ų | 51.3 | 88% | 0.883 | 28% | 0.276 | S | S | * | . | trans | -79.4 | 40.5 | 176.2 | 35.1 | -37 | 0 | 0 | 0 | 112.7 | ||||
| 1000 | I | 86.6 | Confident | 87.5 | Confident | 35 Ų | 35 | 52 Ų | 52 | 18% | 0.179 | 28% | 0.281 | C | S | . | . | trans | -97 | 130.5 | -179.2 | -60.7 | 172.5 | 0 | 0 | 0 | 109.2 | A995 L998 V1002 L1305 T1306 F1309 | A995-I1000 HydrophobicContact CB-CB 4.36Å; A995-I1000 PolarHBondContact N-O 3.47Å; A995-I1000 VanDerWaalsContact N-O 3.11Å; L998-I1000 HydrophobicContact CB-CD1 4.1Å; L998-I1000 HydrophobicContact CB-CG1 4.1Å; L998-I1000 HydrophobicContact CD1-CD1 3.86Å; L998-I1000 PolarHBondContact O-N 2.77Å; I1000-V1002 HydrophobicContact CG2-CG2 4.4Å; I1000-L1305 HydrophobicContact CG2-CD2 4.31Å; I1000-L1305 HydrophobicContact CG2-CG 4.38Å; I1000-T1306 HydrophobicContact CD1-CG2 4.33Å; I1000-T1306 WeakPolarHBondContact CD1-OG1 3.33Å; I1000-F1309 HydrophobicContact CG2-CB 3.93Å; I1000-F1309 HydrophobicContact CG2-CD2 4.01Å; I1000-F1309 HydrophobicContact CG2-CG 3.93Å | ||
| 1001 | K | 88.6 | Confident | 87.2 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.4 | 175.3 | -178.4 | -179.4 | 179.5 | 171.8 | 0 | 109.8 | C992 L993 | C992-K1001 HydrophobicContact CB-CD 4.45Å; C992-K1001 VanDerWaalsContact CB-CE 3.46Å; C992-K1001 HydrophobicContact CB-CG 4.16Å; C992-K1001 WeakPolarHBondContact SG-CE 3.38Å; L993-K1001 WeakPolarHBondContact O-CA 3.37Å |
| 1002 | V | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.2 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | C992 L993 I1000 F1118 F1122 L1305 L1308 F1309 W1312 | C992-V1002 CarbonylContact C-O 3.49Å; C992-V1002 VanDerWaalsContact CA-O 3.24Å; C992-V1002 WeakPolarHBondContact CA-O 3.5Å; C992-V1002 WeakPolarHBondContact CB-O 3.34Å; L993-V1002 PolarHBondContact N-O 2.78Å; L993-V1002 PolarHBondContact O-N 2.89Å; I1000-V1002 HydrophobicContact CG2-CG2 4.4Å; V1002-F1118 HydrophobicContact CG1-CE1 4.45Å; V1002-F1118 HydrophobicContact CG1-CZ 3.91Å; V1002-F1122 HydrophobicContact CG1-CD2 4.29Å; V1002-F1122 HydrophobicContact CG1-CE2 4.48Å; V1002-L1305 HydrophobicContact CB-CD1 4.14Å; V1002-L1305 HydrophobicContact CG2-CD1 3.75Å; V1002-L1305 HydrophobicContact CG2-CG 4.12Å; V1002-L1308 HydrophobicContact CB-CD2 4.34Å; V1002-L1308 HydrophobicContact CG1-CD2 3.91Å; V1002-L1308 HydrophobicContact CG1-CG 4.13Å; V1002-F1309 HydrophobicContact CG2-CB 3.72Å; V1002-F1309 HydrophobicContact CG2-CD2 4.02Å; V1002-F1309 HydrophobicContact CG2-CG 4.38Å; V1002-W1312 HydrophobicContact CG1-CB 4.18Å; V1002-W1312 HydrophobicContact CG1-CG 4.19Å |
| 1003 | S | 91.6 | Very high | 86.4 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.9 | 176 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | R991 W1312 | R991-S1003 WeakPolarHBondContact O-CA 3.17Å; S1003-W1312 PolarHBondContact O-NE1 3.28Å |
| 1004 | N | 92.7 | Very high | 86.2 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -79 | 169.1 | 168.7 | 77.7 | -13.5 | 0 | 0 | 0 | 110.8 | K989 G990 R991 P1006 F1122 | K989-N1004 PolarHBondContact O-ND2 3.12Å; K989-N1004 PolarHBondContact O-OD1 2.98Å; G990-N1004 VanDerWaalsContact CA-OD1 3.3Å; G990-N1004 WeakPolarHBondContact CA-OD1 3.15Å; R991-N1004 PolarHBondContact N-OD1 2.79Å; R991-N1004 PolarHBondContact O-N 2.91Å; R991-N1004 VanDerWaalsContact O-N 3.11Å; R991-N1004 PolarHBondContact O-OD1 2.81Å; N1004-P1006 WeakPolarHBondContact O-CD 3.32Å; N1004-F1122 HydrophobicContact CB-CB 4.32Å; N1004-F1122 HydrophobicContact CB-CD1 3.61Å; N1004-F1122 HydrophobicContact CB-CD2 4Å; N1004-F1122 HydrophobicContact CB-CE1 3.82Å; N1004-F1122 HydrophobicContact CB-CE2 4.19Å; N1004-F1122 HydrophobicContact CB-CG 3.71Å; N1004-F1122 HydrophobicContact CB-CZ 4.09Å |
| 1005 | Y | 92.6 | Very high | 86 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 116.9 | 175.7 | -63.7 | -79.3 | 0 | 0 | 0 | 110.6 | L1007 K1115 F1118 N1119 V1315 Q1316 I1319 | Y1005-L1007 PolarHBondContact O-N 2.92Å; Y1005-K1115 HydrophobicContact CD1-CD 4.12Å; Y1005-K1115 HydrophobicContact CD1-CG 3.9Å; Y1005-K1115 HydrophobicContact CD2-CB 4.11Å; Y1005-K1115 HydrophobicContact CD2-CG 4.01Å; Y1005-K1115 HydrophobicContact CE1-CG 4.44Å; Y1005-K1115 HydrophobicContact CG-CB 3.97Å; Y1005-K1115 HydrophobicContact CG-CD 4.17Å; Y1005-K1115 HydrophobicContact CG-CG 3.65Å; Y1005-F1118 HydrophobicContact CD2-CB 4.17Å; Y1005-F1118 AromaticContact CD2-CD1 3.63Å; Y1005-F1118 HydrophobicContact CD2-CD1 3.63Å; Y1005-F1118 HydrophobicContact CD2-CE1 4.48Å; Y1005-F1118 HydrophobicContact CD2-CG 4.2Å; Y1005-F1118 HydrophobicContact CE2-CB 3.93Å; Y1005-F1118 AromaticContact CE2-CD1 3.43Å; Y1005-F1118 HydrophobicContact CE2-CD1 3.43Å; Y1005-F1118 VanDerWaalsContact CE2-CD1 3.43Å; Y1005-F1118 HydrophobicContact CE2-CE1 4.16Å; Y1005-F1118 AromaticContact CE2-CG 3.76Å; Y1005-F1118 HydrophobicContact CE2-CG 3.76Å; Y1005-N1119 PolarHBondContact N-OD1 3.49Å; Y1005-N1119 PolarHBondContact O-ND2 3.21Å; Y1005-V1315 HydrophobicContact CE2-CG1 3.99Å; Y1005-Q1316 WeakPolarHBondContact OH-CG 3.48Å; Y1005-Q1316 PolarHBondContact OH-NE2 2.91Å; Y1005-Q1316 VanDerWaalsContact OH-NE2 3.12Å; Y1005-Q1316 PolarHBondContact OH-OE1 3.37Å; Y1005-I1319 HydrophobicContact CD1-CD1 4.34Å; Y1005-I1319 HydrophobicContact CE1-CD1 3.58Å; Y1005-I1319 HydrophobicContact CE2-CD1 4.17Å |
| 1006 | P | 91.2 | Very high | 85.7 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 129.9 | 172.4 | 26.1 | -32.1 | 0 | 0 | 0 | 110.4 | M986 V988 N1004 | M986-P1006 HydrophobicContact CE-CB 4.33Å; M986-P1006 HydrophobicContact SD-CB 3.77Å; V988-P1006 WeakPolarHBondContact O-CA 3.26Å; N1004-P1006 WeakPolarHBondContact O-CD 3.32Å |
| 1007 | L | 89.2 | Confident | 85.8 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.8 | -176.9 | -67.5 | 176 | 0 | 0 | 0 | 111 | M986 F987 V988 Y1005 Y1112 K1115 E1116 | M986-L1007 CarbonylContact C-O 3.56Å; F987-L1007 PolarHBondContact N-O 2.88Å; V988-L1007 HydrophobicContact CB-CB 4.14Å; V988-L1007 HydrophobicContact CG2-CB 4.15Å; V988-L1007 HydrophobicContact CG2-CD1 4.36Å; V988-L1007 PolarHBondContact N-O 2.95Å; V988-L1007 VanDerWaalsContact N-O 3.09Å; V988-L1007 PolarHBondContact O-N 3.09Å; Y1005-L1007 PolarHBondContact O-N 2.92Å; L1007-Y1112 HydrophobicContact CB-CE2 4.21Å; L1007-Y1112 HydrophobicContact CD1-CE2 4.4Å; L1007-Y1112 HydrophobicContact CD2-CD2 3.98Å; L1007-Y1112 HydrophobicContact CD2-CE2 3.99Å; L1007-Y1112 HydrophobicContact CG-CE2 4.44Å; L1007-K1115 HydrophobicContact CD1-CB 4.15Å; L1007-K1115 HydrophobicContact CD2-CB 3.8Å; L1007-K1115 HydrophobicContact CD2-CD 3.93Å; L1007-K1115 HydrophobicContact CD2-CG 4.49Å; L1007-K1115 HydrophobicContact CG-CB 4.35Å; L1007-E1116 HydrophobicContact CD1-CB 4.25Å |
| 1008 | K | 85.6 | Confident | 85.9 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 46% | 0.457 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 154.3 | 170.4 | -65.3 | -166.2 | 178 | -159.6 | 0 | 110.7 | E985 I1010 Y1112 | E985-K1008 IonicContact OE2-NZ 3.79Å; E985-K1008 PolarHBondContact OE2-NZ 3.05Å; K1008-I1010 PolarHBondContact O-N 3.36Å; K1008-Y1112 WeakPolarHBondContact O-CE2 3.31Å; K1008-Y1112 PolarHBondContact O-OH 2.99Å |
| 1009 | N | 80.4 | Confident | 86.1 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 130.6 | 167.7 | -85.6 | -33.8 | 0 | 0 | 0 | 110.2 | F987 T1011 | F987-N1009 VanDerWaalsContact CB-OD1 3.32Å; F987-N1009 WeakPolarHBondContact CB-OD1 2.92Å; F987-N1009 WeakPolarHBondContact CD2-OD1 3.31Å; F987-N1009 WeakPolarHBondContact CG-OD1 3.07Å; N1009-T1011 PolarHBondContact O-N 3.06Å |
| 1010 | I | 80.2 | Confident | 86.2 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 30% | 0.297 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 123.4 | 171.3 | -56.3 | 175.4 | 0 | 0 | 0 | 107.8 | K1008 E1014 K1015 I1018 Y1112 | K1008-I1010 PolarHBondContact O-N 3.36Å; I1010-E1014 HydrophobicContact CG2-CB 3.8Å; I1010-K1015 HydrophobicContact CG2-CB 3.99Å; I1010-I1018 HydrophobicContact CG2-CD1 4.42Å; I1010-Y1112 HydrophobicContact CD1-CD1 3.97Å; I1010-Y1112 HydrophobicContact CD1-CE1 3.78Å; I1010-Y1112 HydrophobicContact CD1-CE2 4.33Å; I1010-Y1112 HydrophobicContact CD1-CG 4.35Å; I1010-Y1112 HydrophobicContact CG1-CD2 4.34Å; I1010-Y1112 HydrophobicContact CG1-CE1 4.15Å; I1010-Y1112 HydrophobicContact CG1-CE2 3.89Å |
| 1011 | T | 83 | Confident | 86.3 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 155.3 | 179 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | N1009 S1013 E1014 K1015 | N1009-T1011 PolarHBondContact O-N 3.06Å; T1011-S1013 PolarHBondContact O-N 3.07Å; T1011-S1013 PolarHBondContact OG1-OG 3.35Å; T1011-S1013 VanDerWaalsContact OG1-OG 3.14Å; T1011-E1014 PolarHBondContact N-OE2 2.83Å; T1011-E1014 VanDerWaalsContact N-OE2 3.07Å; T1011-E1014 PolarHBondContact O-N 2.72Å; T1011-E1014 WeakPolarHBondContact OG1-CB 3.23Å; T1011-E1014 VanDerWaalsContact OG1-CD 3.27Å; T1011-E1014 WeakPolarHBondContact OG1-CG 3.32Å; T1011-E1014 PolarHBondContact OG1-N 2.79Å; T1011-E1014 PolarHBondContact OG1-OE2 2.93Å; T1011-K1015 WeakPolarHBondContact O-CB 3.33Å; T1011-K1015 PolarHBondContact O-N 3.44Å |
| 1012 | S | 81 | Confident | 86.1 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.3 | -36.5 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 112 | Q1016 | S1012-Q1016 WeakPolarHBondContact O-CB 3.49Å; S1012-Q1016 VanDerWaalsContact O-CG 3.25Å; S1012-Q1016 WeakPolarHBondContact O-CG 3.37Å; S1012-Q1016 PolarHBondContact O-N 3.16Å |
| 1013 | S | 80.8 | Confident | 85.8 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 177.3 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | T1011 Q1016 L1017 | T1011-S1013 PolarHBondContact O-N 3.07Å; T1011-S1013 PolarHBondContact OG1-OG 3.35Å; T1011-S1013 VanDerWaalsContact OG1-OG 3.14Å; S1013-Q1016 PolarHBondContact O-N 3.18Å; S1013-L1017 WeakPolarHBondContact O-CB 3.27Å; S1013-L1017 PolarHBondContact O-N 3.34Å |
| 1014 | E | 84.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 45% | 0.453 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.2 | -73.6 | 166.9 | 147 | 0 | 0 | 111 | I1010 T1011 Q1016 L1017 I1018 | I1010-E1014 HydrophobicContact CG2-CB 3.8Å; T1011-E1014 PolarHBondContact N-OE2 2.83Å; T1011-E1014 VanDerWaalsContact N-OE2 3.07Å; T1011-E1014 PolarHBondContact O-N 2.72Å; T1011-E1014 WeakPolarHBondContact OG1-CB 3.23Å; T1011-E1014 VanDerWaalsContact OG1-CD 3.27Å; T1011-E1014 WeakPolarHBondContact OG1-CG 3.32Å; T1011-E1014 PolarHBondContact OG1-N 2.79Å; T1011-E1014 PolarHBondContact OG1-OE2 2.93Å; E1014-Q1016 VanDerWaalsContact C-N 3.33Å; E1014-Q1016 PolarHBondContact O-N 2.79Å; E1014-L1017 WeakPolarHBondContact O-CB 3.41Å; E1014-L1017 PolarHBondContact O-N 2.95Å; E1014-I1018 WeakPolarHBondContact O-CB 3.45Å; E1014-I1018 VanDerWaalsContact O-CG1 3.22Å; E1014-I1018 WeakPolarHBondContact O-CG1 2.82Å; E1014-I1018 PolarHBondContact O-N 2.63Å |
| 1015 | K | 84.2 | Confident | 84.9 | Confident | 125 Ų | 125 | 67 Ų | 67 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 175.5 | -168.1 | 172.8 | -176.5 | 174.3 | 0 | 111.4 | I1010 T1011 N1019 | I1010-K1015 HydrophobicContact CG2-CB 3.99Å; T1011-K1015 WeakPolarHBondContact O-CB 3.33Å; T1011-K1015 PolarHBondContact O-N 3.44Å; K1015-N1019 VanDerWaalsContact O-CB 3.26Å; K1015-N1019 WeakPolarHBondContact O-CB 3.48Å; K1015-N1019 PolarHBondContact O-N 3.11Å; K1015-N1019 PolarHBondContact O-ND2 2.76Å |
| 1016 | Q | 82.7 | Confident | 84.4 | Confident | 129 Ų | 129 | 71.4 Ų | 71.4 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 173.2 | -78.1 | 174.9 | 0.7 | 0 | 0 | 111.9 | S1012 S1013 E1014 N1019 T1020 | S1012-Q1016 WeakPolarHBondContact O-CB 3.49Å; S1012-Q1016 VanDerWaalsContact O-CG 3.25Å; S1012-Q1016 WeakPolarHBondContact O-CG 3.37Å; S1012-Q1016 PolarHBondContact O-N 3.16Å; S1013-Q1016 PolarHBondContact O-N 3.18Å; E1014-Q1016 VanDerWaalsContact C-N 3.33Å; E1014-Q1016 PolarHBondContact O-N 2.79Å; Q1016-N1019 PolarHBondContact O-N 3.31Å; Q1016-T1020 VanDerWaalsContact O-CB 3.26Å; Q1016-T1020 WeakPolarHBondContact O-CB 3.46Å; Q1016-T1020 PolarHBondContact O-N 2.83Å; Q1016-T1020 PolarHBondContact O-OG1 2.72Å |
| 1017 | L | 85.7 | Confident | 83.9 | Confident | 91 Ų | 91 | 73.1 Ų | 73.1 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 175.7 | -179 | 67.1 | 0 | 0 | 0 | 110.7 | S1013 E1014 N1019 T1020 V1021 V1105 | S1013-L1017 WeakPolarHBondContact O-CB 3.27Å; S1013-L1017 PolarHBondContact O-N 3.34Å; E1014-L1017 WeakPolarHBondContact O-CB 3.41Å; E1014-L1017 PolarHBondContact O-N 2.95Å; L1017-N1019 VanDerWaalsContact C-N 3.35Å; L1017-N1019 PolarHBondContact O-N 2.91Å; L1017-T1020 WeakPolarHBondContact O-CB 3.41Å; L1017-T1020 PolarHBondContact O-N 3.04Å; L1017-T1020 VanDerWaalsContact O-N 3.17Å; L1017-V1021 HydrophobicContact CD1-CG2 4.4Å; L1017-V1021 VanDerWaalsContact O-CG2 3.3Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.24Å; L1017-V1021 PolarHBondContact O-N 2.72Å; L1017-V1105 HydrophobicContact CD2-CG2 4.25Å; L1017-V1105 HydrophobicContact CG-CG1 4.45Å |
| 1018 | I | 87.2 | Confident | 83.4 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.9 | -49 | 176.3 | -69.2 | 164.1 | 0 | 0 | 0 | 110 | I1010 E1014 T1020 V1021 V1022 V1105 N1109 | I1010-I1018 HydrophobicContact CG2-CD1 4.42Å; E1014-I1018 WeakPolarHBondContact O-CB 3.45Å; E1014-I1018 VanDerWaalsContact O-CG1 3.22Å; E1014-I1018 WeakPolarHBondContact O-CG1 2.82Å; E1014-I1018 PolarHBondContact O-N 2.63Å; I1018-T1020 VanDerWaalsContact C-N 3.32Å; I1018-T1020 PolarHBondContact O-N 2.77Å; I1018-V1021 PolarHBondContact O-N 2.8Å; I1018-V1022 HydrophobicContact CG2-CG2 4.32Å; I1018-V1022 WeakPolarHBondContact O-CB 2.92Å; I1018-V1022 VanDerWaalsContact O-CG2 3.23Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.09Å; I1018-V1022 PolarHBondContact O-N 3.45Å; I1018-V1105 HydrophobicContact CG1-CG1 3.94Å; I1018-N1109 HydrophobicContact CD1-CB 4.25Å; I1018-N1109 WeakPolarHBondContact CG2-ND2 3.21Å |
| 1019 | N | 86.5 | Confident | 82.9 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 49% | 0.492 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 178.5 | -73 | -15.8 | 0 | 0 | 0 | 112.4 | K1015 Q1016 L1017 A1023 | K1015-N1019 VanDerWaalsContact O-CB 3.26Å; K1015-N1019 WeakPolarHBondContact O-CB 3.48Å; K1015-N1019 PolarHBondContact O-N 3.11Å; K1015-N1019 PolarHBondContact O-ND2 2.76Å; Q1016-N1019 PolarHBondContact O-N 3.31Å; L1017-N1019 VanDerWaalsContact C-N 3.35Å; L1017-N1019 PolarHBondContact O-N 2.91Å; N1019-A1023 WeakPolarHBondContact O-CB 3.35Å; N1019-A1023 PolarHBondContact O-N 2.78Å |
| 1020 | T | 86.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | Q1016 L1017 I1018 A1023 R1024 | Q1016-T1020 VanDerWaalsContact O-CB 3.26Å; Q1016-T1020 WeakPolarHBondContact O-CB 3.46Å; Q1016-T1020 PolarHBondContact O-N 2.83Å; Q1016-T1020 PolarHBondContact O-OG1 2.72Å; L1017-T1020 WeakPolarHBondContact O-CB 3.41Å; L1017-T1020 PolarHBondContact O-N 3.04Å; L1017-T1020 VanDerWaalsContact O-N 3.17Å; I1018-T1020 VanDerWaalsContact C-N 3.32Å; I1018-T1020 PolarHBondContact O-N 2.77Å; T1020-A1023 PolarHBondContact O-N 3.2Å; T1020-R1024 WeakPolarHBondContact O-CB 3.42Å; T1020-R1024 VanDerWaalsContact O-CG 3.25Å; T1020-R1024 WeakPolarHBondContact O-CG 3.32Å; T1020-R1024 PolarHBondContact O-N 3.22Å |
| 1021 | V | 87.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -46 | 176.6 | 174 | 0 | 0 | 0 | 0 | 110.3 | L1017 I1018 A1023 R1024 M1025 Y1102 V1105 L1106 | L1017-V1021 HydrophobicContact CD1-CG2 4.4Å; L1017-V1021 VanDerWaalsContact O-CG2 3.3Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.24Å; L1017-V1021 PolarHBondContact O-N 2.72Å; I1018-V1021 PolarHBondContact O-N 2.8Å; V1021-A1023 PolarHBondContact O-N 2.98Å; V1021-R1024 PolarHBondContact O-N 3.46Å; V1021-M1025 WeakPolarHBondContact O-CB 3.47Å; V1021-M1025 PolarHBondContact O-N 3.14Å; V1021-Y1102 HydrophobicContact CB-CD1 4.31Å; V1021-Y1102 HydrophobicContact CG1-CD1 3.84Å; V1021-Y1102 HydrophobicContact CG1-CG 3.89Å; V1021-Y1102 HydrophobicContact CG2-CD1 3.57Å; V1021-Y1102 HydrophobicContact CG2-CE1 3.86Å; V1021-Y1102 HydrophobicContact CG2-CG 4.44Å; V1021-V1105 HydrophobicContact CG2-CG1 4.25Å; V1021-L1106 HydrophobicContact CG1-CD1 4.43Å; V1021-L1106 HydrophobicContact CG1-CD2 4.15Å; V1021-L1106 HydrophobicContact CG1-CG 4.07Å |
| 1022 | V | 85.1 | Confident | 81.9 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.5 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | I1018 M1025 K1026 L1106 | I1018-V1022 HydrophobicContact CG2-CG2 4.32Å; I1018-V1022 WeakPolarHBondContact O-CB 2.92Å; I1018-V1022 VanDerWaalsContact O-CG2 3.23Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.09Å; I1018-V1022 PolarHBondContact O-N 3.45Å; V1022-M1025 PolarHBondContact O-N 2.87Å; V1022-K1026 HydrophobicContact CG1-CD 4.44Å; V1022-K1026 WeakPolarHBondContact O-CG 3.13Å; V1022-K1026 PolarHBondContact O-N 3.26Å; V1022-L1106 HydrophobicContact CG2-CD2 3.81Å |
| 1023 | A | 83.9 | Confident | 81.5 | Confident | 48 Ų | 48 | 73.9 Ų | 73.9 | 40% | 0.397 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1019 T1020 V1021 M1025 K1026 I1027 | N1019-A1023 WeakPolarHBondContact O-CB 3.35Å; N1019-A1023 PolarHBondContact O-N 2.78Å; T1020-A1023 PolarHBondContact O-N 3.2Å; V1021-A1023 PolarHBondContact O-N 2.98Å; A1023-M1025 VanDerWaalsContact C-N 3.28Å; A1023-M1025 PolarHBondContact O-N 3.37Å; A1023-K1026 WeakPolarHBondContact O-CB 3.23Å; A1023-K1026 PolarHBondContact O-N 2.98Å; A1023-I1027 WeakPolarHBondContact O-CG1 3.39Å; A1023-I1027 PolarHBondContact O-N 3.2Å |
| 1024 | R | 84.4 | Confident | 81 | Confident | 115 Ų | 115 | 76.2 Ų | 76.2 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 172.9 | -75.8 | 177.7 | -178.6 | 179.7 | 2.2 | 111.1 | T1020 V1021 I1027 I1028 Y1102 | T1020-R1024 WeakPolarHBondContact O-CB 3.42Å; T1020-R1024 VanDerWaalsContact O-CG 3.25Å; T1020-R1024 WeakPolarHBondContact O-CG 3.32Å; T1020-R1024 PolarHBondContact O-N 3.22Å; V1021-R1024 PolarHBondContact O-N 3.46Å; R1024-I1027 WeakPolarHBondContact O-CB 3.39Å; R1024-I1027 PolarHBondContact O-N 3.07Å; R1024-I1028 VanDerWaalsContact O-CG1 3.26Å; R1024-I1028 WeakPolarHBondContact O-CG1 3.35Å; R1024-I1028 PolarHBondContact O-N 3.48Å; R1024-Y1102 WeakPolarHBondContact CD-OH 3.42Å; R1024-Y1102 PolarHBondContact NH1-OH 2.84Å |
| 1025 | M | 82.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 178.9 | -153.2 | 72.3 | 77.3 | 0 | 0 | 112.7 | V1021 V1022 A1023 I1027 I1028 H1029 H1087 Y1089 L1106 | V1021-M1025 WeakPolarHBondContact O-CB 3.47Å; V1021-M1025 PolarHBondContact O-N 3.14Å; V1022-M1025 PolarHBondContact O-N 2.87Å; A1023-M1025 VanDerWaalsContact C-N 3.28Å; A1023-M1025 PolarHBondContact O-N 3.37Å; M1025-I1027 VanDerWaalsContact C-N 3.3Å; M1025-I1027 PolarHBondContact O-N 3.39Å; M1025-I1028 PolarHBondContact O-N 3.09Å; M1025-I1028 HydrophobicContact SD-CD1 4.2Å; M1025-H1029 WeakPolarHBondContact O-CB 3.36Å; M1025-H1029 PolarHBondContact O-CD2 3.16Å; M1025-H1029 PolarHBondContact O-N 3.43Å; M1025-H1087 HydrophobicContact CB-CB 4.17Å; M1025-H1087 HydrophobicContact CG-CB 4.07Å; M1025-H1087 VanDerWaalsContact CG-O 3.27Å; M1025-H1087 WeakPolarHBondContact CG-O 2.95Å; M1025-Y1089 HydrophobicContact CE-CD2 3.63Å; M1025-Y1089 HydrophobicContact CE-CE1 4.11Å; M1025-Y1089 HydrophobicContact CE-CE2 3.08Å; M1025-Y1089 HydrophobicContact CE-CG 4.35Å; M1025-Y1089 HydrophobicContact SD-CD1 4.28Å; M1025-Y1089 HydrophobicContact SD-CD2 4.36Å; M1025-Y1089 HydrophobicContact SD-CE1 3.58Å; M1025-Y1089 VanDerWaalsContact SD-CE1 3.58Å; M1025-Y1089 HydrophobicContact SD-CE2 3.71Å; M1025-Y1089 PolarHBondContact SD-OH 2.89Å; M1025-Y1089 VanDerWaalsContact SD-OH 3.32Å; M1025-L1106 HydrophobicContact CE-CD1 3.68Å |
| 1026 | K | 80.8 | Confident | 79.1 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 47% | 0.47 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 171.2 | -76.1 | 177.1 | 179 | -173.1 | 0 | 110.9 | V1022 A1023 H1029 T1030 | V1022-K1026 HydrophobicContact CG1-CD 4.44Å; V1022-K1026 WeakPolarHBondContact O-CG 3.13Å; V1022-K1026 PolarHBondContact O-N 3.26Å; A1023-K1026 WeakPolarHBondContact O-CB 3.23Å; A1023-K1026 PolarHBondContact O-N 2.98Å; K1026-H1029 PolarHBondContact O-N 3.13Å; K1026-T1030 WeakPolarHBondContact O-CG2 3.33Å; K1026-T1030 PolarHBondContact O-N 2.81Å; K1026-T1030 PolarHBondContact O-OG1 2.88Å |
| 1027 | I | 81.3 | Confident | 78.5 | Confident | 104 Ų | 104 | 79.8 Ų | 79.8 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 176 | -64.6 | 164.1 | 0 | 0 | 0 | 110.8 | A1023 R1024 M1025 H1029 T1030 T1031 | A1023-I1027 WeakPolarHBondContact O-CG1 3.39Å; A1023-I1027 PolarHBondContact O-N 3.2Å; R1024-I1027 WeakPolarHBondContact O-CB 3.39Å; R1024-I1027 PolarHBondContact O-N 3.07Å; M1025-I1027 VanDerWaalsContact C-N 3.3Å; M1025-I1027 PolarHBondContact O-N 3.39Å; I1027-H1029 PolarHBondContact O-N 2.93Å; I1027-T1030 VanDerWaalsContact CA-OG1 3.28Å; I1027-T1030 WeakPolarHBondContact CA-OG1 3.34Å; I1027-T1030 PolarHBondContact O-N 3.16Å; I1027-T1030 PolarHBondContact O-OG1 2.88Å; I1027-T1031 HydrophobicContact CG2-CG2 4.33Å; I1027-T1031 WeakPolarHBondContact O-CG2 3.19Å; I1027-T1031 PolarHBondContact O-N 3.13Å; I1027-T1031 PolarHBondContact O-OG1 3.44Å; I1027-T1031 VanDerWaalsContact O-OG1 3.13Å |
| 1028 | I | 78.9 | Confident | 77.3 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 179 | -69.5 | 165.3 | 0 | 0 | 0 | 110.3 | R1024 M1025 T1030 T1031 A1032 Y1089 | R1024-I1028 VanDerWaalsContact O-CG1 3.26Å; R1024-I1028 WeakPolarHBondContact O-CG1 3.35Å; R1024-I1028 PolarHBondContact O-N 3.48Å; M1025-I1028 PolarHBondContact O-N 3.09Å; M1025-I1028 HydrophobicContact SD-CD1 4.2Å; I1028-T1030 PolarHBondContact O-N 2.68Å; I1028-T1031 WeakPolarHBondContact CA-OG1 3.35Å; I1028-T1031 PolarHBondContact O-N 3.16Å; I1028-T1031 PolarHBondContact O-OG1 3.41Å; I1028-A1032 VanDerWaalsContact O-CB 3.31Å; I1028-A1032 WeakPolarHBondContact O-CB 3.43Å; I1028-A1032 PolarHBondContact O-N 3.36Å; I1028-Y1089 WeakPolarHBondContact CD1-OH 3.5Å |
| 1029 | H | 75.3 | Confident | 75.9 | Confident | 67 Ų | 67 | 82 Ų | 82 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.3 | -82.5 | -61.6 | 0 | 0 | 0 | 112.9 | M1025 K1026 I1027 A1032 K1033 | M1025-H1029 WeakPolarHBondContact O-CB 3.36Å; M1025-H1029 PolarHBondContact O-CD2 3.16Å; M1025-H1029 PolarHBondContact O-N 3.43Å; K1026-H1029 PolarHBondContact O-N 3.13Å; I1027-H1029 PolarHBondContact O-N 2.93Å; H1029-A1032 PolarHBondContact O-N 2.91Å; H1029-K1033 WeakPolarHBondContact O-CB 3.42Å; H1029-K1033 VanDerWaalsContact O-CG 3.31Å; H1029-K1033 WeakPolarHBondContact O-CG 3.47Å; H1029-K1033 PolarHBondContact O-N 3.08Å |
| 1030 | T | 76.6 | Confident | 74.3 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.1 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | K1026 I1027 I1028 A1032 K1033 E1034 | K1026-T1030 WeakPolarHBondContact O-CG2 3.33Å; K1026-T1030 PolarHBondContact O-N 2.81Å; K1026-T1030 PolarHBondContact O-OG1 2.88Å; I1027-T1030 VanDerWaalsContact CA-OG1 3.28Å; I1027-T1030 WeakPolarHBondContact CA-OG1 3.34Å; I1027-T1030 PolarHBondContact O-N 3.16Å; I1027-T1030 PolarHBondContact O-OG1 2.88Å; I1028-T1030 PolarHBondContact O-N 2.68Å; T1030-A1032 PolarHBondContact O-N 2.92Å; T1030-K1033 PolarHBondContact O-N 2.84Å; T1030-E1034 WeakPolarHBondContact O-CB 3.24Å; T1030-E1034 VanDerWaalsContact O-CG 3.31Å; T1030-E1034 WeakPolarHBondContact O-CG 3.41Å; T1030-E1034 PolarHBondContact O-N 3.17Å |
| 1031 | T | 75.1 | Confident | 72.7 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -33.4 | 177 | 58.6 | 0 | 0 | 0 | 0 | 113 | I1027 I1028 R1035 | I1027-T1031 HydrophobicContact CG2-CG2 4.33Å; I1027-T1031 WeakPolarHBondContact O-CG2 3.19Å; I1027-T1031 PolarHBondContact O-N 3.13Å; I1027-T1031 PolarHBondContact O-OG1 3.44Å; I1027-T1031 VanDerWaalsContact O-OG1 3.13Å; I1028-T1031 WeakPolarHBondContact CA-OG1 3.35Å; I1028-T1031 PolarHBondContact O-N 3.16Å; I1028-T1031 PolarHBondContact O-OG1 3.41Å; T1031-R1035 WeakPolarHBondContact O-CB 3.36Å; T1031-R1035 WeakPolarHBondContact O-CG 3.48Å; T1031-R1035 PolarHBondContact O-N 3.03Å |
| 1032 | A | 70.4 | Confident | 70.7 | Confident | 47 Ų | 47 | 88.7 Ų | 88.7 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.3 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1028 H1029 T1030 E1034 R1035 E1036 | I1028-A1032 VanDerWaalsContact O-CB 3.31Å; I1028-A1032 WeakPolarHBondContact O-CB 3.43Å; I1028-A1032 PolarHBondContact O-N 3.36Å; H1029-A1032 PolarHBondContact O-N 2.91Å; T1030-A1032 PolarHBondContact O-N 2.92Å; A1032-E1034 PolarHBondContact O-N 3.14Å; A1032-R1035 WeakPolarHBondContact O-CB 3.35Å; A1032-R1035 PolarHBondContact O-N 2.93Å; A1032-E1036 WeakPolarHBondContact O-CB 3.23Å; A1032-E1036 PolarHBondContact O-N 3.3Å |
| 1033 | K | 72.1 | Confident | 68.9 | Low | 138 Ų | 138 | 94.5 Ų | 94.5 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 173 | -74.4 | -179.9 | 178.8 | -174.2 | 0 | 111.8 | H1029 T1030 E1036 L1037 | H1029-K1033 WeakPolarHBondContact O-CB 3.42Å; H1029-K1033 VanDerWaalsContact O-CG 3.31Å; H1029-K1033 WeakPolarHBondContact O-CG 3.47Å; H1029-K1033 PolarHBondContact O-N 3.08Å; T1030-K1033 PolarHBondContact O-N 2.84Å; K1033-E1036 PolarHBondContact O-N 3.47Å; K1033-L1037 WeakPolarHBondContact O-CB 3.26Å; K1033-L1037 PolarHBondContact O-N 3.27Å |
| 1034 | E | 70.6 | Confident | 66.8 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 174.4 | -77.1 | 174.9 | 176.8 | 0 | 0 | 112.3 | T1030 A1032 L1037 L1038 | T1030-E1034 WeakPolarHBondContact O-CB 3.24Å; T1030-E1034 VanDerWaalsContact O-CG 3.31Å; T1030-E1034 WeakPolarHBondContact O-CG 3.41Å; T1030-E1034 PolarHBondContact O-N 3.17Å; A1032-E1034 PolarHBondContact O-N 3.14Å; E1034-L1037 PolarHBondContact O-N 3.2Å; E1034-L1038 WeakPolarHBondContact O-CB 3.29Å; E1034-L1038 VanDerWaalsContact O-CG 3.28Å; E1034-L1038 WeakPolarHBondContact O-CG 3.27Å; E1034-L1038 PolarHBondContact O-N 3.42Å |
| 1035 | R | 64.9 | Low | 64.5 | Low | 190 Ų | 190 | 97.6 Ų | 97.6 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 174.1 | -84.4 | -179 | 179.3 | 174.2 | 0.5 | 112.4 | T1031 A1032 L1038 S1039 | T1031-R1035 WeakPolarHBondContact O-CB 3.36Å; T1031-R1035 WeakPolarHBondContact O-CG 3.48Å; T1031-R1035 PolarHBondContact O-N 3.03Å; A1032-R1035 WeakPolarHBondContact O-CB 3.35Å; A1032-R1035 PolarHBondContact O-N 2.93Å; R1035-L1038 PolarHBondContact O-N 3.39Å; R1035-S1039 WeakPolarHBondContact O-CB 3.36Å; R1035-S1039 PolarHBondContact O-N 3.23Å; R1035-S1039 PolarHBondContact O-OG 2.92Å |
| 1036 | E | 64.5 | Low | 62.4 | Low | 134 Ų | 134 | 104.7 Ų | 104.7 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.4 | -35.8 | 177.1 | -166.5 | 176.8 | -168.8 | 0 | 0 | 111.3 | A1032 K1033 S1039 S1040 | A1032-E1036 WeakPolarHBondContact O-CB 3.23Å; A1032-E1036 PolarHBondContact O-N 3.3Å; K1033-E1036 PolarHBondContact O-N 3.47Å; E1036-S1039 PolarHBondContact O-N 2.87Å; E1036-S1039 PolarHBondContact O-OG 2.91Å; E1036-S1040 WeakPolarHBondContact O-CB 3.24Å; E1036-S1040 PolarHBondContact O-N 3.4Å; E1036-S1040 PolarHBondContact O-OG 2.87Å |
| 1037 | L | 69.4 | Low | 60.1 | Low | 102 Ų | 102 | 105.5 Ų | 105.5 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 170.4 | -123.6 | 144.1 | 0 | 0 | 0 | 111.4 | K1033 E1034 S1040 H1041 | K1033-L1037 WeakPolarHBondContact O-CB 3.26Å; K1033-L1037 PolarHBondContact O-N 3.27Å; E1034-L1037 PolarHBondContact O-N 3.2Å; L1037-S1040 WeakPolarHBondContact CA-OG 3.46Å; L1037-S1040 PolarHBondContact O-OG 2.83Å; L1037-H1041 WeakPolarHBondContact O-CB 3.45Å; L1037-H1041 PolarHBondContact O-CD2 2.95Å; L1037-H1041 PolarHBondContact O-N 2.78Å |
| 1038 | L | 61.5 | Low | 57.6 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.1 | -41.7 | 174.6 | -74 | 165.3 | 0 | 0 | 0 | 112.2 | E1034 R1035 H1041 L1042 | E1034-L1038 WeakPolarHBondContact O-CB 3.29Å; E1034-L1038 VanDerWaalsContact O-CG 3.28Å; E1034-L1038 WeakPolarHBondContact O-CG 3.27Å; E1034-L1038 PolarHBondContact O-N 3.42Å; R1035-L1038 PolarHBondContact O-N 3.39Å; L1038-H1041 PolarHBondContact O-N 2.85Å; L1038-L1042 PolarHBondContact O-N 2.77Å |
| 1039 | S | 55.8 | Low | 55.4 | Low | 51 Ų | 51 | 112 Ų | 112 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.4 | -41 | 178.7 | 78.9 | 0 | 0 | 0 | 0 | 110.9 | R1035 E1036 H1041 L1042 F1043 | R1035-S1039 WeakPolarHBondContact O-CB 3.36Å; R1035-S1039 PolarHBondContact O-N 3.23Å; R1035-S1039 PolarHBondContact O-OG 2.92Å; E1036-S1039 PolarHBondContact O-N 2.87Å; E1036-S1039 PolarHBondContact O-OG 2.91Å; S1039-H1041 VanDerWaalsContact C-N 3.3Å; S1039-H1041 PolarHBondContact O-N 2.54Å; S1039-L1042 CarbonylContact O-C 3.58Å; S1039-L1042 PolarHBondContact O-N 2.75Å; S1039-L1042 VanDerWaalsContact O-N 3.07Å; S1039-F1043 WeakPolarHBondContact O-CB 3.21Å; S1039-F1043 VanDerWaalsContact O-CD2 3.28Å; S1039-F1043 WeakPolarHBondContact O-CD2 3.49Å; S1039-F1043 PolarHBondContact O-N 2.92Å |
| 1040 | S | 53.4 | Low | 53 | Low | 49 Ų | 49 | 117.8 Ų | 117.8 | 34% | 0.343 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.7 | -36.8 | 173.6 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | E1036 L1037 F1043 Q1044 | E1036-S1040 WeakPolarHBondContact O-CB 3.24Å; E1036-S1040 PolarHBondContact O-N 3.4Å; E1036-S1040 PolarHBondContact O-OG 2.87Å; L1037-S1040 WeakPolarHBondContact CA-OG 3.46Å; L1037-S1040 PolarHBondContact O-OG 2.83Å; S1040-F1043 PolarHBondContact O-N 3.26Å; S1040-Q1044 WeakPolarHBondContact O-CB 3.42Å; S1040-Q1044 WeakPolarHBondContact O-CG 3.33Å; S1040-Q1044 PolarHBondContact O-N 3.11Å |
| 1041 | H | 52.3 | Low | 50.8 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.9 | -33.7 | 169.6 | -77.2 | -49.4 | 0 | 0 | 0 | 113.9 | L1037 L1038 S1039 Q1044 | L1037-H1041 WeakPolarHBondContact O-CB 3.45Å; L1037-H1041 PolarHBondContact O-CD2 2.95Å; L1037-H1041 PolarHBondContact O-N 2.78Å; L1038-H1041 PolarHBondContact O-N 2.85Å; S1039-H1041 VanDerWaalsContact C-N 3.3Å; S1039-H1041 PolarHBondContact O-N 2.54Å; H1041-Q1044 PolarHBondContact ND1-OE1 3.1Å |
| 1042 | L | 46.7 | Very low | 48.6 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.9 | -33.3 | 174.9 | -95.6 | 144.2 | 0 | 0 | 0 | 113.3 | L1038 S1039 S1045 | L1038-L1042 PolarHBondContact O-N 2.77Å; S1039-L1042 CarbonylContact O-C 3.58Å; S1039-L1042 PolarHBondContact O-N 2.75Å; S1039-L1042 VanDerWaalsContact O-N 3.07Å; L1042-S1045 PolarHBondContact O-OG 2.81Å |
| 1043 | F | 46.4 | Very low | 46.4 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 67% | 0.667 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.4 | -17 | 179 | -83.3 | -81.6 | 0 | 0 | 0 | 113.4 | S1039 S1040 S1045 N1046 | S1039-F1043 WeakPolarHBondContact O-CB 3.21Å; S1039-F1043 VanDerWaalsContact O-CD2 3.28Å; S1039-F1043 WeakPolarHBondContact O-CD2 3.49Å; S1039-F1043 PolarHBondContact O-N 2.92Å; S1040-F1043 PolarHBondContact O-N 3.26Å; F1043-S1045 PolarHBondContact O-N 3.21Å; F1043-S1045 VanDerWaalsContact O-N 3.15Å; F1043-N1046 PolarHBondContact O-N 3.2Å |
| 1044 | Q | 39.1 | Very low | 44.3 | Very low | 137 Ų | 137 | 131 Ų | 131 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -12.2 | 172.6 | -91 | 171.9 | -1.8 | 0 | 0 | 113.7 | S1040 H1041 N1046 | S1040-Q1044 WeakPolarHBondContact O-CB 3.42Å; S1040-Q1044 WeakPolarHBondContact O-CG 3.33Å; S1040-Q1044 PolarHBondContact O-N 3.11Å; H1041-Q1044 PolarHBondContact ND1-OE1 3.1Å; Q1044-N1046 VanDerWaalsContact C-N 3.29Å; Q1044-N1046 PolarHBondContact O-N 3.37Å |
| 1045 | S | 36.6 | Very low | 42.2 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -2.6 | 176 | 71.2 | 0 | 0 | 0 | 0 | 114.9 | L1042 F1043 | L1042-S1045 PolarHBondContact O-OG 2.81Å; F1043-S1045 PolarHBondContact O-N 3.21Å; F1043-S1045 VanDerWaalsContact O-N 3.15Å |
| 1046 | N | 38.7 | Very low | 40.3 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -142.5 | 15.5 | -176 | -95.7 | -16.3 | 0 | 0 | 0 | 118.3 | F1043 Q1044 | F1043-N1046 PolarHBondContact O-N 3.2Å; Q1044-N1046 VanDerWaalsContact C-N 3.29Å; Q1044-N1046 PolarHBondContact O-N 3.37Å |
| 1047 | I | 33.8 | Very low | 38.4 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 64% | 0.641 | 70% | 0.7 | S | S | * | * | trans | -127.9 | 87.2 | 172.8 | -57.4 | 175.9 | 0 | 0 | 0 | 110.7 | K1049 | I1047-K1049 HydrophobicContact CG2-CD 4.21Å; I1047-K1049 HydrophobicContact CG2-CG 3.86Å; I1047-K1049 PolarHBondContact O-N 2.74Å; I1047-K1049 VanDerWaalsContact O-N 3.09Å | ||
| 1048 | S | 28.2 | Very low | 36.3 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -68.9 | 88.3 | 162.5 | 170.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1049 | K | 31.6 | Very low | 34.7 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -96.5 | 111.3 | 162 | -81.5 | -177.5 | 179.7 | -175.2 | 0 | 109.2 | I1047 | I1047-K1049 HydrophobicContact CG2-CD 4.21Å; I1047-K1049 HydrophobicContact CG2-CG 3.86Å; I1047-K1049 PolarHBondContact O-N 2.74Å; I1047-K1049 VanDerWaalsContact O-N 3.09Å | ||
| 1050 | K | 26.5 | Very low | 33.4 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -56.8 | 145.2 | 177.6 | -73.3 | 172.9 | 172.8 | 176.6 | 0 | 111.6 | ||||
| 1051 | P | 30.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 153 Ų | 153 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -89 | 126.7 | 170.9 | 33.9 | -27.9 | 0 | 0 | 0 | 110.8 | ||||
| 1052 | S | 28.2 | Very low | 31 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -131.3 | 103.2 | 162.3 | 45.3 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1053 | Q | 24 | Very low | 30.1 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | 51.5 | 60.4 | 58.3 | -80 | -162.9 | -7.2 | 0 | 0 | 114.6 | |||||
| 1054 | E | 27.7 | Very low | 29.3 | Very low | 177 Ų | 177 | 160.5 Ų | 160.5 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -140.8 | 93.5 | 154.2 | -85.6 | 169 | -169.6 | 0 | 0 | 106.1 | ||||
| 1055 | Q | 26.2 | Very low | 28.9 | Very low | 182 Ų | 182 | 158.6 Ų | 158.6 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | 54 | 82.4 | 107.6 | -67.8 | -175.1 | -3.9 | 0 | 0 | 111.7 | E1057 | Q1055-E1057 PolarHBondContact O-N 3.45Š| |||
| 1056 | K | 24.3 | Very low | 28.7 | Very low | 199 Ų | 199 | 162 Ų | 162 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | 41.7 | 74.2 | 98.5 | -74.7 | -166.2 | 175.4 | -167.2 | 0 | 113.4 | |||||
| 1057 | E | 24.9 | Very low | 28.6 | Very low | 183 Ų | 183 | 162.5 Ų | 162.5 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -108.1 | 112.4 | 145.2 | -81.5 | -174.5 | 155.9 | 0 | 0 | 107.2 | Q1055 V1059 | Q1055-E1057 PolarHBondContact O-N 3.45Å; E1057-V1059 PolarHBondContact O-N 3.2Å; E1057-V1059 VanDerWaalsContact O-N 3.14Å | ||
| 1058 | E | 26.3 | Very low | 28.9 | Very low | 193 Ų | 193 | 161 Ų | 161 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -63.7 | 102.7 | 172.1 | -69.2 | 170.3 | 162.4 | 0 | 0 | 107.9 | ||||
| 1059 | V | 28.5 | Very low | 29.5 | Very low | 120 Ų | 120 | 160.7 Ų | 160.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -121.2 | 103.2 | 161.9 | -176.8 | 0 | 0 | 0 | 0 | 106.2 | E1057 E1061 | E1057-V1059 PolarHBondContact O-N 3.2Å; E1057-V1059 VanDerWaalsContact O-N 3.14Å; V1059-E1061 PolarHBondContact O-N 3.18Å | ||
| 1060 | D | 27.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 156.1 Ų | 156.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 1.2 | 91.6 | 170.6 | -65.5 | -38.9 | 0 | 0 | 0 | 116.1 | E1062 | D1060-E1062 VanDerWaalsContact C-N 3.32Å; D1060-E1062 PolarHBondContact O-N 3.49Å | ||
| 1061 | E | 27.5 | Very low | 31.7 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -71.2 | 81.5 | 169.1 | -68.5 | 179 | 174.2 | 0 | 0 | 110.4 | V1059 | V1059-E1061 PolarHBondContact O-N 3.18Š| ||
| 1062 | E | 28 | Very low | 33.2 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -105.7 | 33 | 149.1 | -73.4 | -168.1 | 170 | 0 | 0 | 110.5 | D1060 E1064 | D1060-E1062 VanDerWaalsContact C-N 3.32Å; D1060-E1062 PolarHBondContact O-N 3.49Å; E1062-E1064 PolarHBondContact O-N 3.45Å; E1062-E1064 VanDerWaalsContact O-N 3.12Å | ||
| 1063 | E | 28.7 | Very low | 34.8 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -72.9 | 101.8 | 168.7 | -69.7 | -165.7 | 163.8 | 0 | 0 | 109.4 | P1065 | E1063-P1065 WeakPolarHBondContact O-CD 3.43Å; E1063-P1065 VanDerWaalsContact O-N 3.12Å | ||
| 1064 | E | 28.1 | Very low | 36.9 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | trans | -50.2 | 117 | 168.1 | -72.7 | -166.9 | 153.7 | 0 | 0 | 109.8 | E1062 E1066 | E1062-E1064 PolarHBondContact O-N 3.45Å; E1062-E1064 VanDerWaalsContact O-N 3.12Å; E1064-E1066 PolarHBondContact O-N 3.31Å | ||
| 1065 | P | 31 | Very low | 39.1 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 62% | 0.623 | 66% | 0.662 | S | S | * | * | trans | -77.5 | 121.2 | -164.4 | 29.1 | -33.4 | 0 | 0 | 0 | 110.9 | E1063 Q1067 | E1063-P1065 WeakPolarHBondContact O-CD 3.43Å; E1063-P1065 VanDerWaalsContact O-N 3.12Å; P1065-Q1067 WeakPolarHBondContact O-CG 3Å; P1065-Q1067 PolarHBondContact O-N 3.31Å | ||
| 1066 | E | 33.2 | Very low | 41.6 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 45.5 | 0.4 | 155 | -64.2 | -174.2 | 160.1 | 0 | 0 | 120.8 | E1064 S1068 | E1064-E1066 PolarHBondContact O-N 3.31Å; E1066-S1068 VanDerWaalsContact C-N 3.35Å; E1066-S1068 PolarHBondContact O-N 3.31Å |
| 1067 | Q | 36.1 | Very low | 44.3 | Very low | 161 Ų | 161 | 116.6 Ų | 116.6 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.2 | -26.3 | -173.8 | -75.1 | -179.5 | 22.3 | 0 | 0 | 113.4 | P1065 | P1065-Q1067 WeakPolarHBondContact O-CG 3Å; P1065-Q1067 PolarHBondContact O-N 3.31Å |
| 1068 | S | 40.3 | Very low | 46.9 | Very low | 92 Ų | 92 | 108 Ų | 108 | 64% | 0.643 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70 | -33.5 | -177.4 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | E1066 R1071 | E1066-S1068 VanDerWaalsContact C-N 3.35Å; E1066-S1068 PolarHBondContact O-N 3.31Å; S1068-R1071 WeakPolarHBondContact O-CB 3.05Å; S1068-R1071 PolarHBondContact O-N 3.24Å |
| 1069 | I | 40 | Very low | 49.3 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 57% | 0.574 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.8 | -36.3 | -175.9 | -60.7 | 171.2 | 0 | 0 | 0 | 111.5 | R1071 | I1069-R1071 PolarHBondContact O-N 3.12Å |
| 1070 | N | 51.6 | Low | 51.5 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -22.6 | 178.6 | -95.4 | -40 | 0 | 0 | 0 | 113.5 | I1072 V1074 | N1070-I1072 PolarHBondContact O-N 3.28Å; N1070-V1074 WeakPolarHBondContact O-CB 3.48Å; N1070-V1074 WeakPolarHBondContact O-CG2 3.47Å; N1070-V1074 PolarHBondContact O-N 3.29Å; N1070-V1074 VanDerWaalsContact O-N 3.14Å |
| 1071 | R | 54.3 | Low | 53.9 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | -176.3 | -162.6 | 177.2 | -178.1 | 164.8 | 6.5 | 113 | S1068 I1069 G1075 E1080 L1555 | S1068-R1071 WeakPolarHBondContact O-CB 3.05Å; S1068-R1071 PolarHBondContact O-N 3.24Å; I1069-R1071 PolarHBondContact O-N 3.12Å; R1071-G1075 PolarHBondContact O-N 3.41Å; R1071-E1080 VanDerWaalsContact CZ-CD 3.43Å; R1071-E1080 IonicContact CZ-OE1 3.29Å; R1071-E1080 IonicContact CZ-OE2 2.73Å; R1071-E1080 IonicContact NE-OE1 3.36Å; R1071-E1080 IonicContact NH1-OE1 3.12Å; R1071-E1080 PolarHBondContact NH1-OE1 3.42Å; R1071-E1080 IonicContact NH1-OE2 2.81Å; R1071-E1080 IonicContact NH2-OE1 2.86Å; R1071-E1080 PolarHBondContact NH2-OE1 3.3Å; R1071-E1080 IonicContact NH2-OE2 3.11Å; R1071-E1080 PolarHBondContact NH2-OE2 3.34Å; R1071-L1555 HydrophobicContact CG-CD2 4.46Å |
| 1072 | I | 60.4 | Low | 56 | Low | 76 Ų | 76 | 93.1 Ų | 93.1 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.3 | -47.7 | -177.5 | -59.5 | 173.3 | 0 | 0 | 0 | 110.3 | N1070 G1075 L1554 | N1070-I1072 PolarHBondContact O-N 3.28Å; I1072-G1075 PolarHBondContact O-N 2.78Å; I1072-L1554 HydrophobicContact CG2-CD2 4.29Å |
| 1073 | L | 62.2 | Low | 58.1 | Low | 74 Ų | 74 | 84.2 Ų | 84.2 | 39% | 0.387 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.9 | -33.2 | -178.7 | -118.1 | 84.9 | 0 | 0 | 0 | 113.5 | G1075 Q1091 | L1073-G1075 PolarHBondContact O-N 2.98Å; L1073-Q1091 PolarHBondContact O-NE2 2.93Å |
| 1074 | V | 67.6 | Low | 60.1 | Low | 64 Ų | 64 | 77.5 Ų | 77.5 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.3 | -21.6 | 174.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | N1070 S1076 Q1091 K1325 | N1070-V1074 WeakPolarHBondContact O-CB 3.48Å; N1070-V1074 WeakPolarHBondContact O-CG2 3.47Å; N1070-V1074 PolarHBondContact O-N 3.29Å; N1070-V1074 VanDerWaalsContact O-N 3.14Å; V1074-S1076 VanDerWaalsContact C-N 3.28Å; V1074-S1076 PolarHBondContact O-N 3.11Å; V1074-Q1091 PolarHBondContact O-NE2 3.25Å; V1074-K1325 PolarHBondContact O-NZ 2.62Å |
| 1075 | G | 74.6 | Confident | 62.2 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 26.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1071 I1072 L1073 Q1091 Q1553 | R1071-G1075 PolarHBondContact O-N 3.41Å; I1072-G1075 PolarHBondContact O-N 2.78Å; L1073-G1075 PolarHBondContact O-N 2.98Å; G1075-Q1091 VanDerWaalsContact CA-NE2 3.34Å; G1075-Q1553 WeakPolarHBondContact CA-O 3.34Å |
| 1076 | S | 78.6 | Confident | 63.9 | Low | 5 Ų | 5 | 71.3 Ų | 71.3 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | trans | -159.8 | 146.8 | -176.4 | 170.8 | 0 | 0 | 0 | 0 | 113.3 | V1074 A1078 E1322 | V1074-S1076 VanDerWaalsContact C-N 3.28Å; V1074-S1076 PolarHBondContact O-N 3.11Å; S1076-A1078 VanDerWaalsContact C-N 3.33Å; S1076-A1078 WeakPolarHBondContact OG-CB 3.17Å; S1076-A1078 PolarHBondContact OG-N 3.24Å; S1076-E1322 WeakPolarHBondContact CB-OE1 3.25Å; S1076-E1322 PolarHBondContact OG-OE1 3.16Å | ||
| 1077 | T | 80.4 | Confident | 65.6 | Low | 15 Ų | 15 | 66.5 Ų | 66.5 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -86.7 | 2.6 | 170.1 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | R1079 E1080 H1081 A1318 Q1321 L1555 | T1077-R1079 PolarHBondContact O-N 2.94Å; T1077-E1080 PolarHBondContact O-N 3.02Å; T1077-H1081 PolarHBondContact O-ND1 2.74Å; T1077-A1318 WeakPolarHBondContact OG1-CA 3.28Å; T1077-A1318 VanDerWaalsContact OG1-CB 3.26Å; T1077-A1318 WeakPolarHBondContact OG1-CB 3.47Å; T1077-Q1321 PolarHBondContact OG1-OE1 2.75Å; T1077-L1555 HydrophobicContact CG2-CD2 3.26Å |
| 1078 | A | 80.6 | Confident | 67.2 | Low | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -58.7 | -32.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1076 E1080 H1081 G1083 M1114 E1322 | S1076-A1078 VanDerWaalsContact C-N 3.33Å; S1076-A1078 WeakPolarHBondContact OG-CB 3.17Å; S1076-A1078 PolarHBondContact OG-N 3.24Å; A1078-E1080 PolarHBondContact O-N 3.24Å; A1078-H1081 PolarHBondContact O-N 2.9Å; A1078-H1081 VanDerWaalsContact O-N 3.11Å; A1078-G1083 VanDerWaalsContact O-CA 3.29Å; A1078-G1083 WeakPolarHBondContact O-CA 3.44Å; A1078-G1083 PolarHBondContact O-N 3.15Å; A1078-M1114 HydrophobicContact CB-CE 3.99Å; A1078-M1114 HydrophobicContact CB-SD 3.48Å; A1078-M1114 WeakPolarHBondContact CB-SD 3.28Å; A1078-E1322 HydrophobicContact CB-CG 3.75Å |
| 1079 | R | 75.5 | Confident | 68.9 | Low | 166 Ų | 166 | 56.6 Ų | 56.6 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -59.8 | -33.1 | -179.7 | -168.3 | 173.8 | -176.7 | 174.8 | -0.9 | 113 | T1077 | T1077-R1079 PolarHBondContact O-N 2.94Š|
| 1080 | E | 75.5 | Confident | 70.5 | Confident | 115 Ų | 115 | 53.8 Ų | 53.8 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -76.4 | -25.5 | 179.4 | -62.7 | 179.9 | 166 | 0 | 0 | 112.9 | R1071 T1077 A1078 | R1071-E1080 VanDerWaalsContact CZ-CD 3.43Å; R1071-E1080 IonicContact CZ-OE1 3.29Å; R1071-E1080 IonicContact CZ-OE2 2.73Å; R1071-E1080 IonicContact NE-OE1 3.36Å; R1071-E1080 IonicContact NH1-OE1 3.12Å; R1071-E1080 PolarHBondContact NH1-OE1 3.42Å; R1071-E1080 IonicContact NH1-OE2 2.81Å; R1071-E1080 IonicContact NH2-OE1 2.86Å; R1071-E1080 PolarHBondContact NH2-OE1 3.3Å; R1071-E1080 IonicContact NH2-OE2 3.11Å; R1071-E1080 PolarHBondContact NH2-OE2 3.34Å; T1077-E1080 PolarHBondContact O-N 3.02Å; A1078-E1080 PolarHBondContact O-N 3.24Å |
| 1081 | H | 78.7 | Confident | 71.8 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 13% | 0.125 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -103.8 | 23 | -173 | -60.3 | 92.2 | 0 | 0 | 0 | 112.5 | T1077 A1078 M1114 H1314 V1315 | T1077-H1081 PolarHBondContact O-ND1 2.74Å; A1078-H1081 PolarHBondContact O-N 2.9Å; A1078-H1081 VanDerWaalsContact O-N 3.11Å; H1081-M1114 HydrophobicContact CB-SD 4.44Å; H1081-H1314 WeakPolarHBondContact NE2-CB 3.11Å; H1081-V1315 HydrophobicContact CB-CG2 4.16Å; H1081-V1315 VanDerWaalsContact CD2-CG2 3.43Å; H1081-V1315 WeakPolarHBondContact CD2-CG2 2.94Å |
| 1082 | G | 70.2 | Confident | 73 | Confident | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 6.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1083 | G | 73.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | trans | -96.2 | 30.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A1078 I1085 | A1078-G1083 VanDerWaalsContact O-CA 3.29Å; A1078-G1083 WeakPolarHBondContact O-CA 3.44Å; A1078-G1083 PolarHBondContact O-N 3.15Å; G1083-I1085 PolarHBondContact O-N 2.73Å | ||
| 1084 | S | 69.6 | Low | 75 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | trans | -64.3 | 131.7 | 179.6 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | D1086 | S1084-D1086 WeakPolarHBondContact CB-OD1 3.13Å; S1084-D1086 PolarHBondContact OG-OD1 2.73Å | ||
| 1085 | I | 73 | Confident | 75.8 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 22% | 0.221 | 25% | 0.247 | C | C | . | . | trans | -102.4 | 79.5 | 171.9 | -49.6 | 174.1 | 0 | 0 | 0 | 108.1 | G1083 H1087 G1088 L1106 V1107 A1110 | G1083-I1085 PolarHBondContact O-N 2.73Å; I1085-H1087 PolarHBondContact O-N 2.78Å; I1085-G1088 VanDerWaalsContact CG2-CA 3.45Å; I1085-G1088 PolarHBondContact O-N 2.82Å; I1085-L1106 HydrophobicContact CG2-CB 3.9Å; I1085-L1106 HydrophobicContact CG2-CD1 4.17Å; I1085-V1107 HydrophobicContact CD1-CB 4.45Å; I1085-V1107 HydrophobicContact CD1-CG2 3.68Å; I1085-A1110 HydrophobicContact CD1-CB 4.14Å; I1085-A1110 HydrophobicContact CG1-CB 3.76Å | ||
| 1086 | D | 66.8 | Low | 76.3 | Confident | 115 Ų | 115 | 50.6 Ų | 50.6 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.4 | -173.7 | -54.8 | -28 | 0 | 0 | 0 | 114.1 | S1084 | S1084-D1086 WeakPolarHBondContact CB-OD1 3.13Å; S1084-D1086 PolarHBondContact OG-OD1 2.73Å |
| 1087 | H | 69.6 | Low | 76.8 | Confident | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 49 | 179.3 | -52.1 | 74.5 | 0 | 0 | 0 | 109.1 | M1025 I1085 L1106 | M1025-H1087 HydrophobicContact CB-CB 4.17Å; M1025-H1087 HydrophobicContact CG-CB 4.07Å; M1025-H1087 VanDerWaalsContact CG-O 3.27Å; M1025-H1087 WeakPolarHBondContact CG-O 2.95Å; I1085-H1087 PolarHBondContact O-N 2.78Å; H1087-L1106 WeakPolarHBondContact O-CD1 3.5Å |
| 1088 | G | 68.7 | Low | 77.1 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 19% | 0.186 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 156.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1085 | I1085-G1088 VanDerWaalsContact CG2-CA 3.45Å; I1085-G1088 PolarHBondContact O-N 2.82Å |
| 1089 | Y | 76.2 | Confident | 77.4 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 144.2 | 164.2 | -65.2 | -71.1 | 0 | 0 | 0 | 109.4 | M1025 I1028 L1094 Q1099 Y1102 Q1103 | M1025-Y1089 HydrophobicContact CE-CD2 3.63Å; M1025-Y1089 HydrophobicContact CE-CE1 4.11Å; M1025-Y1089 HydrophobicContact CE-CE2 3.08Å; M1025-Y1089 HydrophobicContact CE-CG 4.35Å; M1025-Y1089 HydrophobicContact SD-CD1 4.28Å; M1025-Y1089 HydrophobicContact SD-CD2 4.36Å; M1025-Y1089 HydrophobicContact SD-CE1 3.58Å; M1025-Y1089 VanDerWaalsContact SD-CE1 3.58Å; M1025-Y1089 HydrophobicContact SD-CE2 3.71Å; M1025-Y1089 PolarHBondContact SD-OH 2.89Å; M1025-Y1089 VanDerWaalsContact SD-OH 3.32Å; I1028-Y1089 WeakPolarHBondContact CD1-OH 3.5Å; Y1089-L1094 HydrophobicContact CD2-CD2 3.91Å; Y1089-L1094 HydrophobicContact CG-CD2 3.97Å; Y1089-Q1099 HydrophobicContact CD1-CG 4.21Å; Y1089-Q1099 HydrophobicContact CD2-CB 4.04Å; Y1089-Q1099 HydrophobicContact CD2-CG 4.38Å; Y1089-Q1099 HydrophobicContact CE1-CB 4.42Å; Y1089-Q1099 HydrophobicContact CE1-CG 3.72Å; Y1089-Q1099 HydrophobicContact CE2-CB 3.77Å; Y1089-Q1099 HydrophobicContact CE2-CG 3.85Å; Y1089-Q1099 HydrophobicContact CG-CB 4.45Å; Y1089-Y1102 HydrophobicContact CE2-CD2 4.29Å; Y1089-Q1103 HydrophobicContact CD2-CB 4.41Å |
| 1090 | C | 74.1 | Confident | 78.2 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 148.9 | 164.6 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | M1092 D1093 | C1090-M1092 PolarHBondContact O-N 2.92Å; C1090-M1092 VanDerWaalsContact O-N 3.1Å; C1090-D1093 HydrophobicContact CB-CB 4.36Å; C1090-D1093 WeakPolarHBondContact CB-OD2 3.25Å; C1090-D1093 PolarHBondContact O-N 2.98Å |
| 1091 | Q | 78.4 | Confident | 78.9 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56.2 | -30.2 | 177.1 | -64.2 | -167.2 | 22.9 | 0 | 0 | 112.2 | L1073 V1074 G1075 D1093 L1552 Q1553 | L1073-Q1091 PolarHBondContact O-NE2 2.93Å; V1074-Q1091 PolarHBondContact O-NE2 3.25Å; G1075-Q1091 VanDerWaalsContact CA-NE2 3.34Å; Q1091-D1093 VanDerWaalsContact C-N 3.33Å; Q1091-L1552 HydrophobicContact CB-CD2 3.71Å; Q1091-Q1553 PolarHBondContact NE2-O 3.21Å; Q1091-Q1553 PolarHBondContact OE1-O 3.5Å |
| 1092 | M | 79.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -74.9 | -17.6 | 179.1 | -57.3 | -64.4 | -172.4 | 0 | 0 | 114 | C1090 Y1095 L1550 L1552 | C1090-M1092 PolarHBondContact O-N 2.92Å; C1090-M1092 VanDerWaalsContact O-N 3.1Å; M1092-Y1095 WeakPolarHBondContact O-CE2 3.47Å; M1092-Y1095 PolarHBondContact O-OH 3.25Å; M1092-L1550 VanDerWaalsContact O-CD1 3.27Å; M1092-L1550 WeakPolarHBondContact O-CD1 3.44Å; M1092-L1552 HydrophobicContact CE-CD1 3.3Å; M1092-L1552 HydrophobicContact CE-CD2 4.08Å; M1092-L1552 HydrophobicContact CE-CG 4.31Å; M1092-L1552 HydrophobicContact CG-CD2 4.48Å; M1092-L1552 HydrophobicContact SD-CD1 3.45Å; M1092-L1552 WeakPolarHBondContact SD-CD1 3.34Å; M1092-L1552 HydrophobicContact SD-CD2 3.49Å; M1092-L1552 WeakPolarHBondContact SD-CD2 3.39Å; M1092-L1552 HydrophobicContact SD-CG 4.08Å |
| 1093 | D | 79.9 | Confident | 80.3 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -102.1 | 13 | -170.8 | -61.9 | -27.3 | 0 | 0 | 0 | 113.2 | C1090 Q1091 Y1095 Q1099 | C1090-D1093 HydrophobicContact CB-CB 4.36Å; C1090-D1093 WeakPolarHBondContact CB-OD2 3.25Å; C1090-D1093 PolarHBondContact O-N 2.98Å; Q1091-D1093 VanDerWaalsContact C-N 3.33Å; D1093-Y1095 VanDerWaalsContact C-N 3.33Å; D1093-Y1095 PolarHBondContact O-N 2.97Å; D1093-Q1099 PolarHBondContact O-NE2 3.06Å; D1093-Q1099 PolarHBondContact O-OE1 2.77Å |
| 1094 | L | 84.7 | Confident | 81.2 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | trans | -91.7 | 44.6 | -169.6 | -72.1 | 170.2 | 0 | 0 | 0 | 114.2 | Y1089 Q1099 K1100 Q1103 L1329 L1550 | Y1089-L1094 HydrophobicContact CD2-CD2 3.91Å; Y1089-L1094 HydrophobicContact CG-CD2 3.97Å; L1094-Q1099 HydrophobicContact CD2-CB 4.19Å; L1094-K1100 WeakPolarHBondContact O-CE 3.49Å; L1094-Q1103 HydrophobicContact CD1-CG 4.2Å; L1094-Q1103 HydrophobicContact CD2-CB 3.79Å; L1094-Q1103 HydrophobicContact CD2-CG 4.04Å; L1094-L1329 HydrophobicContact CD1-CD2 4.06Å; L1094-L1550 HydrophobicContact CB-CD1 4.31Å; L1094-L1550 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1095 | Y | 84.3 | Confident | 82.2 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 38% | 0.384 | 25% | 0.248 | S | C | . | . | trans | -72 | -49.3 | -174.9 | -54.8 | -66.3 | 0 | 0 | 0 | 113.1 | M1092 D1093 Q1547 L1550 | M1092-Y1095 WeakPolarHBondContact O-CE2 3.47Å; M1092-Y1095 PolarHBondContact O-OH 3.25Å; D1093-Y1095 VanDerWaalsContact C-N 3.33Å; D1093-Y1095 PolarHBondContact O-N 2.97Å; Y1095-Q1547 WeakPolarHBondContact CD1-O 3.44Å; Y1095-Q1547 WeakPolarHBondContact O-CG 3.47Å; Y1095-Q1547 PolarHBondContact O-NE2 2.93Å; Y1095-L1550 HydrophobicContact CD1-CD1 3.98Å; Y1095-L1550 HydrophobicContact CD1-CD2 4.47Å; Y1095-L1550 HydrophobicContact CD1-CG 4.33Å; Y1095-L1550 HydrophobicContact CE1-CD1 3.78Å; Y1095-L1550 HydrophobicContact CE1-CG 4.29Å | ||
| 1096 | T | 85.8 | Confident | 83 | Confident | 58 Ų | 58 | 48 Ų | 48 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -85.4 | 149.4 | -170.9 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | M1098 Q1099 K1100 | T1096-M1098 PolarHBondContact O-N 3.29Å; T1096-M1098 VanDerWaalsContact O-N 3.15Å; T1096-Q1099 WeakPolarHBondContact O-CB 3.2Å; T1096-Q1099 PolarHBondContact O-N 2.99Å; T1096-Q1099 WeakPolarHBondContact OG1-CB 3.39Å; T1096-Q1099 WeakPolarHBondContact OG1-CG 3.28Å; T1096-Q1099 PolarHBondContact OG1-N 3.45Å; T1096-Q1099 PolarHBondContact OG1-OE1 2.79Å; T1096-K1100 PolarHBondContact O-N 3Å; T1096-K1100 VanDerWaalsContact O-N 3.1Å |
| 1097 | R | 88 | Confident | 84.1 | Confident | 119 Ų | 119 | 42.5 Ų | 42.5 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -46.9 | -44.6 | 172.5 | -161.5 | 179.8 | 174.2 | -108.5 | 1.6 | 113.3 | K1100 I1101 L1333 E1336 | R1097-K1100 PolarHBondContact O-N 2.82Å; R1097-I1101 HydrophobicContact CG-CD1 4.15Å; R1097-I1101 VanDerWaalsContact O-CG1 3.31Å; R1097-I1101 WeakPolarHBondContact O-CG1 3.48Å; R1097-I1101 PolarHBondContact O-N 2.82Å; R1097-L1333 HydrophobicContact CB-CD2 4.29Å; R1097-L1333 HydrophobicContact CG-CD2 3.37Å; R1097-E1336 WeakPolarHBondContact CB-OE1 3.45Å |
| 1098 | M | 87.3 | Confident | 85.2 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 43% | 0.429 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.1 | -37.9 | -177 | -156.2 | 67.7 | 170.4 | 0 | 0 | 112.2 | T1096 I1101 Y1102 | T1096-M1098 PolarHBondContact O-N 3.29Å; T1096-M1098 VanDerWaalsContact O-N 3.15Å; M1098-I1101 PolarHBondContact O-N 3.46Å; M1098-Y1102 HydrophobicContact CE-CE1 3.51Å; M1098-Y1102 HydrophobicContact CE-CE2 4.42Å; M1098-Y1102 VanDerWaalsContact CE-CZ 3.43Å; M1098-Y1102 WeakPolarHBondContact CE-OH 3.23Å; M1098-Y1102 HydrophobicContact CG-CD2 4.13Å; M1098-Y1102 HydrophobicContact CG-CE1 4.12Å; M1098-Y1102 HydrophobicContact CG-CE2 3.55Å; M1098-Y1102 WeakPolarHBondContact O-CB 3.32Å; M1098-Y1102 WeakPolarHBondContact O-CD2 3.45Å; M1098-Y1102 VanDerWaalsContact O-CG 3.27Å; M1098-Y1102 PolarHBondContact O-N 3.36Å; M1098-Y1102 HydrophobicContact SD-CE1 4.31Å |
| 1099 | Q | 87.2 | Confident | 86.1 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 173.6 | -73 | 163 | -36.6 | 0 | 0 | 110.7 | Y1089 D1093 L1094 T1096 I1101 Y1102 Q1103 | Y1089-Q1099 HydrophobicContact CD1-CG 4.21Å; Y1089-Q1099 HydrophobicContact CD2-CB 4.04Å; Y1089-Q1099 HydrophobicContact CD2-CG 4.38Å; Y1089-Q1099 HydrophobicContact CE1-CB 4.42Å; Y1089-Q1099 HydrophobicContact CE1-CG 3.72Å; Y1089-Q1099 HydrophobicContact CE2-CB 3.77Å; Y1089-Q1099 HydrophobicContact CE2-CG 3.85Å; Y1089-Q1099 HydrophobicContact CG-CB 4.45Å; D1093-Q1099 PolarHBondContact O-NE2 3.06Å; D1093-Q1099 PolarHBondContact O-OE1 2.77Å; L1094-Q1099 HydrophobicContact CD2-CB 4.19Å; T1096-Q1099 WeakPolarHBondContact O-CB 3.2Å; T1096-Q1099 PolarHBondContact O-N 2.99Å; T1096-Q1099 WeakPolarHBondContact OG1-CB 3.39Å; T1096-Q1099 WeakPolarHBondContact OG1-CG 3.28Å; T1096-Q1099 PolarHBondContact OG1-N 3.45Å; T1096-Q1099 PolarHBondContact OG1-OE1 2.79Å; Q1099-I1101 PolarHBondContact O-N 3.04Å; Q1099-Y1102 PolarHBondContact O-N 3.49Å; Q1099-Q1103 WeakPolarHBondContact O-CB 3.4Å; Q1099-Q1103 PolarHBondContact O-N 3.43Å |
| 1100 | K | 90.6 | Very high | 86.7 | Confident | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 175.9 | -62.4 | 172 | -173.8 | 170.1 | 0 | 112 | L1094 T1096 R1097 Q1103 I1104 L1329 M1332 L1333 E1336 | L1094-K1100 WeakPolarHBondContact O-CE 3.49Å; T1096-K1100 PolarHBondContact O-N 3Å; T1096-K1100 VanDerWaalsContact O-N 3.1Å; R1097-K1100 PolarHBondContact O-N 2.82Å; K1100-Q1103 PolarHBondContact O-N 2.8Å; K1100-I1104 WeakPolarHBondContact O-CG1 3.5Å; K1100-I1104 PolarHBondContact O-N 2.73Å; K1100-L1329 HydrophobicContact CB-CD2 4.19Å; K1100-L1329 HydrophobicContact CG-CD2 4.05Å; K1100-M1332 HydrophobicContact CD-CB 4.31Å; K1100-L1333 HydrophobicContact CB-CD1 4.39Å; K1100-L1333 HydrophobicContact CB-CD2 3.96Å; K1100-L1333 HydrophobicContact CB-CG 4.16Å; K1100-L1333 HydrophobicContact CD-CD2 4.12Å; K1100-L1333 HydrophobicContact CD-CG 4.4Å; K1100-E1336 IonicContact NZ-OE2 3.06Å |
| 1101 | I | 91 | Very high | 87.6 | Confident | 51 Ų | 51 | 42 Ų | 42 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.8 | -47 | 178.1 | -68.7 | 166.6 | 0 | 0 | 0 | 111.6 | R1097 M1098 Q1099 Q1103 I1104 V1105 L1333 | R1097-I1101 HydrophobicContact CG-CD1 4.15Å; R1097-I1101 VanDerWaalsContact O-CG1 3.31Å; R1097-I1101 WeakPolarHBondContact O-CG1 3.48Å; R1097-I1101 PolarHBondContact O-N 2.82Å; M1098-I1101 PolarHBondContact O-N 3.46Å; Q1099-I1101 PolarHBondContact O-N 3.04Å; I1101-Q1103 VanDerWaalsContact C-N 3.32Å; I1101-Q1103 PolarHBondContact O-N 2.81Å; I1101-I1104 PolarHBondContact O-N 2.96Å; I1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; I1101-V1105 PolarHBondContact O-N 2.82Å; I1101-V1105 VanDerWaalsContact O-N 3.15Å; I1101-L1333 HydrophobicContact CG1-CD1 3.83Å; I1101-L1333 HydrophobicContact CG1-CD2 4.13Å |
| 1102 | Y | 90.1 | Very high | 88.1 | Confident | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.5 | -70.1 | -23.5 | 0 | 0 | 0 | 111.9 | V1021 R1024 Y1089 M1098 Q1099 I1104 V1105 L1106 | V1021-Y1102 HydrophobicContact CB-CD1 4.31Å; V1021-Y1102 HydrophobicContact CG1-CD1 3.84Å; V1021-Y1102 HydrophobicContact CG1-CG 3.89Å; V1021-Y1102 HydrophobicContact CG2-CD1 3.57Å; V1021-Y1102 HydrophobicContact CG2-CE1 3.86Å; V1021-Y1102 HydrophobicContact CG2-CG 4.44Å; R1024-Y1102 WeakPolarHBondContact CD-OH 3.42Å; R1024-Y1102 PolarHBondContact NH1-OH 2.84Å; Y1089-Y1102 HydrophobicContact CE2-CD2 4.29Å; M1098-Y1102 HydrophobicContact CE-CE1 3.51Å; M1098-Y1102 HydrophobicContact CE-CE2 4.42Å; M1098-Y1102 VanDerWaalsContact CE-CZ 3.43Å; M1098-Y1102 WeakPolarHBondContact CE-OH 3.23Å; M1098-Y1102 HydrophobicContact CG-CD2 4.13Å; M1098-Y1102 HydrophobicContact CG-CE1 4.12Å; M1098-Y1102 HydrophobicContact CG-CE2 3.55Å; M1098-Y1102 WeakPolarHBondContact O-CB 3.32Å; M1098-Y1102 WeakPolarHBondContact O-CD2 3.45Å; M1098-Y1102 VanDerWaalsContact O-CG 3.27Å; M1098-Y1102 PolarHBondContact O-N 3.36Å; M1098-Y1102 HydrophobicContact SD-CE1 4.31Å; Q1099-Y1102 PolarHBondContact O-N 3.49Å; Y1102-I1104 VanDerWaalsContact C-N 3.33Å; Y1102-I1104 PolarHBondContact O-N 3.13Å; Y1102-V1105 PolarHBondContact O-N 3.47Å; Y1102-L1106 WeakPolarHBondContact O-CG 3.17Å; Y1102-L1106 PolarHBondContact O-N 3.42Å |
| 1103 | Q | 88.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.7 | -168.4 | 66.9 | 6.7 | 0 | 0 | 111.3 | Y1089 L1094 Q1099 K1100 I1101 V1105 L1106 V1107 L1329 | Y1089-Q1103 HydrophobicContact CD2-CB 4.41Å; L1094-Q1103 HydrophobicContact CD1-CG 4.2Å; L1094-Q1103 HydrophobicContact CD2-CB 3.79Å; L1094-Q1103 HydrophobicContact CD2-CG 4.04Å; Q1099-Q1103 WeakPolarHBondContact O-CB 3.4Å; Q1099-Q1103 PolarHBondContact O-N 3.43Å; K1100-Q1103 PolarHBondContact O-N 2.8Å; I1101-Q1103 VanDerWaalsContact C-N 3.32Å; I1101-Q1103 PolarHBondContact O-N 2.81Å; Q1103-V1105 VanDerWaalsContact C-N 3.32Å; Q1103-V1105 PolarHBondContact O-N 3.01Å; Q1103-L1106 PolarHBondContact O-N 2.98Å; Q1103-V1107 HydrophobicContact CG-CG2 4.2Å; Q1103-V1107 WeakPolarHBondContact O-CB 3.31Å; Q1103-V1107 VanDerWaalsContact O-CG2 3.24Å; Q1103-V1107 WeakPolarHBondContact O-CG2 3.23Å; Q1103-V1107 PolarHBondContact O-N 3.07Å; Q1103-L1329 HydrophobicContact CB-CD1 3.96Å; Q1103-L1329 HydrophobicContact CG-CD1 3.79Å |
| 1104 | I | 91.9 | Very high | 89 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 175 | -69.1 | 165.6 | 0 | 0 | 0 | 111.4 | K1100 I1101 Y1102 L1106 V1107 K1108 I1326 L1329 K1330 L1333 | K1100-I1104 WeakPolarHBondContact O-CG1 3.5Å; K1100-I1104 PolarHBondContact O-N 2.73Å; I1101-I1104 PolarHBondContact O-N 2.96Å; Y1102-I1104 VanDerWaalsContact C-N 3.33Å; Y1102-I1104 PolarHBondContact O-N 3.13Å; I1104-L1106 VanDerWaalsContact C-N 3.33Å; I1104-L1106 PolarHBondContact O-N 3.06Å; I1104-V1107 PolarHBondContact O-N 3.36Å; I1104-K1108 HydrophobicContact CG2-CD 4.38Å; I1104-K1108 WeakPolarHBondContact O-CB 3.2Å; I1104-K1108 WeakPolarHBondContact O-CG 3.45Å; I1104-K1108 PolarHBondContact O-N 2.71Å; I1104-I1326 HydrophobicContact CG2-CG2 4.18Å; I1104-L1329 HydrophobicContact CD1-CB 3.83Å; I1104-L1329 HydrophobicContact CG1-CB 3.75Å; I1104-L1329 HydrophobicContact CG1-CD1 3.9Å; I1104-K1330 HydrophobicContact CD1-CG 4.05Å; I1104-L1333 HydrophobicContact CD1-CD1 3.62Å |
| 1105 | V | 90.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 43 Ų | 43 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 111 | L1017 I1018 V1021 I1101 Y1102 Q1103 N1109 | L1017-V1105 HydrophobicContact CD2-CG2 4.25Å; L1017-V1105 HydrophobicContact CG-CG1 4.45Å; I1018-V1105 HydrophobicContact CG1-CG1 3.94Å; V1021-V1105 HydrophobicContact CG2-CG1 4.25Å; I1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; I1101-V1105 PolarHBondContact O-N 2.82Å; I1101-V1105 VanDerWaalsContact O-N 3.15Å; Y1102-V1105 PolarHBondContact O-N 3.47Å; Q1103-V1105 VanDerWaalsContact C-N 3.32Å; Q1103-V1105 PolarHBondContact O-N 3.01Å; V1105-N1109 PolarHBondContact O-N 3.43Å |
| 1106 | L | 88.9 | Confident | 89.7 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 178.9 | -68.1 | 175.3 | 0 | 0 | 0 | 112.7 | V1021 V1022 M1025 I1085 H1087 Y1102 Q1103 I1104 N1109 A1110 | V1021-L1106 HydrophobicContact CG1-CD1 4.43Å; V1021-L1106 HydrophobicContact CG1-CD2 4.15Å; V1021-L1106 HydrophobicContact CG1-CG 4.07Å; V1022-L1106 HydrophobicContact CG2-CD2 3.81Å; M1025-L1106 HydrophobicContact CE-CD1 3.68Å; I1085-L1106 HydrophobicContact CG2-CB 3.9Å; I1085-L1106 HydrophobicContact CG2-CD1 4.17Å; H1087-L1106 WeakPolarHBondContact O-CD1 3.5Å; Y1102-L1106 WeakPolarHBondContact O-CG 3.17Å; Y1102-L1106 PolarHBondContact O-N 3.42Å; Q1103-L1106 PolarHBondContact O-N 2.98Å; I1104-L1106 VanDerWaalsContact C-N 3.33Å; I1104-L1106 PolarHBondContact O-N 3.06Å; L1106-N1109 WeakPolarHBondContact O-CB 3.43Å; L1106-N1109 PolarHBondContact O-N 2.78Å; L1106-A1110 PolarHBondContact O-N 2.96Å |
| 1107 | V | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | I1085 Q1103 I1104 N1109 A1110 I1111 E1322 I1326 | I1085-V1107 HydrophobicContact CD1-CB 4.45Å; I1085-V1107 HydrophobicContact CD1-CG2 3.68Å; Q1103-V1107 HydrophobicContact CG-CG2 4.2Å; Q1103-V1107 WeakPolarHBondContact O-CB 3.31Å; Q1103-V1107 VanDerWaalsContact O-CG2 3.24Å; Q1103-V1107 WeakPolarHBondContact O-CG2 3.23Å; Q1103-V1107 PolarHBondContact O-N 3.07Å; I1104-V1107 PolarHBondContact O-N 3.36Å; V1107-N1109 VanDerWaalsContact C-N 3.28Å; V1107-N1109 PolarHBondContact O-N 2.99Å; V1107-A1110 WeakPolarHBondContact O-CB 3.38Å; V1107-A1110 PolarHBondContact O-N 3.11Å; V1107-A1110 VanDerWaalsContact O-N 3.08Å; V1107-I1111 HydrophobicContact CG1-CD1 4.17Å; V1107-I1111 WeakPolarHBondContact O-CG1 3.48Å; V1107-I1111 PolarHBondContact O-N 2.95Å; V1107-E1322 HydrophobicContact CG1-CB 3.81Å; V1107-E1322 HydrophobicContact CG1-CG 4.43Å; V1107-E1322 WeakPolarHBondContact CG1-O 3.32Å; V1107-E1322 WeakPolarHBondContact CG1-OE2 3.44Å; V1107-I1326 HydrophobicContact CB-CD1 4.4Å; V1107-I1326 HydrophobicContact CB-CG1 4.1Å; V1107-I1326 HydrophobicContact CG1-CD1 3.81Å; V1107-I1326 HydrophobicContact CG1-CG1 3.65Å |
| 1108 | K | 91.5 | Very high | 90.1 | Very high | 117 Ų | 117 | 35.5 Ų | 35.5 | 51% | 0.509 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 173.3 | -78.1 | -177.3 | 175.2 | -172.3 | 0 | 112.2 | I1104 I1111 Y1112 I1326 | I1104-K1108 HydrophobicContact CG2-CD 4.38Å; I1104-K1108 WeakPolarHBondContact O-CB 3.2Å; I1104-K1108 WeakPolarHBondContact O-CG 3.45Å; I1104-K1108 PolarHBondContact O-N 2.71Å; K1108-I1111 PolarHBondContact O-N 3.25Å; K1108-Y1112 PolarHBondContact O-N 2.76Å; K1108-Y1112 VanDerWaalsContact O-N 3.09Å; K1108-I1326 HydrophobicContact CG-CD1 3.65Å |
| 1109 | N | 89 | Confident | 90.4 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 175.7 | -173.4 | 31.1 | 0 | 0 | 0 | 111.9 | I1018 V1105 L1106 V1107 Y1112 R1113 | I1018-N1109 HydrophobicContact CD1-CB 4.25Å; I1018-N1109 WeakPolarHBondContact CG2-ND2 3.21Å; V1105-N1109 PolarHBondContact O-N 3.43Å; L1106-N1109 WeakPolarHBondContact O-CB 3.43Å; L1106-N1109 PolarHBondContact O-N 2.78Å; V1107-N1109 VanDerWaalsContact C-N 3.28Å; V1107-N1109 PolarHBondContact O-N 2.99Å; N1109-Y1112 WeakPolarHBondContact O-CB 3.38Å; N1109-Y1112 PolarHBondContact O-N 3Å; N1109-R1113 WeakPolarHBondContact O-CG 3.27Å; N1109-R1113 PolarHBondContact O-N 2.84Å |
| 1110 | A | 88.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1085 L1106 V1107 Y1112 R1113 M1114 | I1085-A1110 HydrophobicContact CD1-CB 4.14Å; I1085-A1110 HydrophobicContact CG1-CB 3.76Å; L1106-A1110 PolarHBondContact O-N 2.96Å; V1107-A1110 WeakPolarHBondContact O-CB 3.38Å; V1107-A1110 PolarHBondContact O-N 3.11Å; V1107-A1110 VanDerWaalsContact O-N 3.08Å; A1110-Y1112 VanDerWaalsContact C-N 3.3Å; A1110-Y1112 PolarHBondContact O-N 2.86Å; A1110-R1113 PolarHBondContact O-N 2.79Å; A1110-R1113 VanDerWaalsContact O-N 3.16Å; A1110-M1114 WeakPolarHBondContact O-CG 3.31Å; A1110-M1114 PolarHBondContact O-N 3.32Å |
| 1111 | I | 91.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 174 | -66.5 | 163.4 | 0 | 0 | 0 | 110.8 | V1107 K1108 R1113 M1114 K1115 I1319 E1322 E1323 I1326 | V1107-I1111 HydrophobicContact CG1-CD1 4.17Å; V1107-I1111 WeakPolarHBondContact O-CG1 3.48Å; V1107-I1111 PolarHBondContact O-N 2.95Å; K1108-I1111 PolarHBondContact O-N 3.25Å; I1111-R1113 VanDerWaalsContact C-N 3.33Å; I1111-R1113 PolarHBondContact O-N 3.37Å; I1111-M1114 HydrophobicContact CB-CE 4.31Å; I1111-M1114 HydrophobicContact CG1-CE 3.88Å; I1111-M1114 PolarHBondContact O-N 2.75Å; I1111-K1115 HydrophobicContact CG2-CD 4.09Å; I1111-K1115 WeakPolarHBondContact O-CG 3.46Å; I1111-K1115 PolarHBondContact O-N 2.72Å; I1111-I1319 HydrophobicContact CG2-CG2 4.16Å; I1111-E1322 HydrophobicContact CD1-CB 3.87Å; I1111-E1322 HydrophobicContact CG1-CB 3.69Å; I1111-E1323 HydrophobicContact CD1-CG 3.73Å; I1111-I1326 HydrophobicContact CD1-CD1 3.69Å |
| 1112 | Y | 90.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 18% | 0.18 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.8 | -172.9 | -83.3 | 0 | 0 | 0 | 111.8 | L1007 K1008 I1010 K1108 N1109 A1110 K1115 E1116 | L1007-Y1112 HydrophobicContact CB-CE2 4.21Å; L1007-Y1112 HydrophobicContact CD1-CE2 4.4Å; L1007-Y1112 HydrophobicContact CD2-CD2 3.98Å; L1007-Y1112 HydrophobicContact CD2-CE2 3.99Å; L1007-Y1112 HydrophobicContact CG-CE2 4.44Å; K1008-Y1112 WeakPolarHBondContact O-CE2 3.31Å; K1008-Y1112 PolarHBondContact O-OH 2.99Å; I1010-Y1112 HydrophobicContact CD1-CD1 3.97Å; I1010-Y1112 HydrophobicContact CD1-CE1 3.78Å; I1010-Y1112 HydrophobicContact CD1-CE2 4.33Å; I1010-Y1112 HydrophobicContact CD1-CG 4.35Å; I1010-Y1112 HydrophobicContact CG1-CD2 4.34Å; I1010-Y1112 HydrophobicContact CG1-CE1 4.15Å; I1010-Y1112 HydrophobicContact CG1-CE2 3.89Å; K1108-Y1112 PolarHBondContact O-N 2.76Å; K1108-Y1112 VanDerWaalsContact O-N 3.09Å; N1109-Y1112 WeakPolarHBondContact O-CB 3.38Å; N1109-Y1112 PolarHBondContact O-N 3Å; A1110-Y1112 VanDerWaalsContact C-N 3.3Å; A1110-Y1112 PolarHBondContact O-N 2.86Å; Y1112-K1115 PolarHBondContact O-N 2.95Å; Y1112-E1116 WeakPolarHBondContact O-CB 3.47Å; Y1112-E1116 PolarHBondContact O-N 3.39Å |
| 1113 | R | 88.7 | Confident | 90.7 | Very high | 110 Ų | 110 | 36.5 Ų | 36.5 | 42% | 0.415 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.3 | -38.3 | 177.4 | -70 | 174.4 | -178.2 | -169.7 | -4.3 | 113.5 | N1109 A1110 I1111 E1116 S1117 | N1109-R1113 WeakPolarHBondContact O-CG 3.27Å; N1109-R1113 PolarHBondContact O-N 2.84Å; A1110-R1113 PolarHBondContact O-N 2.79Å; A1110-R1113 VanDerWaalsContact O-N 3.16Å; I1111-R1113 VanDerWaalsContact C-N 3.33Å; I1111-R1113 PolarHBondContact O-N 3.37Å; R1113-E1116 PolarHBondContact O-N 3.32Å; R1113-S1117 WeakPolarHBondContact O-CB 3.48Å; R1113-S1117 PolarHBondContact O-N 3.17Å |
| 1114 | M | 90.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 174.5 | -71 | -170 | -71.9 | 0 | 0 | 111.2 | A1078 H1081 A1110 I1111 S1117 F1118 A1318 I1319 E1322 | A1078-M1114 HydrophobicContact CB-CE 3.99Å; A1078-M1114 HydrophobicContact CB-SD 3.48Å; A1078-M1114 WeakPolarHBondContact CB-SD 3.28Å; H1081-M1114 HydrophobicContact CB-SD 4.44Å; A1110-M1114 WeakPolarHBondContact O-CG 3.31Å; A1110-M1114 PolarHBondContact O-N 3.32Å; I1111-M1114 HydrophobicContact CB-CE 4.31Å; I1111-M1114 HydrophobicContact CG1-CE 3.88Å; I1111-M1114 PolarHBondContact O-N 2.75Å; M1114-S1117 PolarHBondContact O-N 3.13Å; M1114-F1118 PolarHBondContact O-N 3.3Å; M1114-A1318 HydrophobicContact SD-CB 4Å; M1114-I1319 HydrophobicContact CE-CG1 4.08Å; M1114-E1322 HydrophobicContact CE-CB 4.2Å; M1114-E1322 HydrophobicContact CE-CG 3.8Å |
| 1115 | K | 93.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.1 | -70.3 | 178.1 | 178 | 176.9 | 0 | 111.2 | Y1005 L1007 I1111 Y1112 S1117 F1118 N1119 I1319 | Y1005-K1115 HydrophobicContact CD1-CD 4.12Å; Y1005-K1115 HydrophobicContact CD1-CG 3.9Å; Y1005-K1115 HydrophobicContact CD2-CB 4.11Å; Y1005-K1115 HydrophobicContact CD2-CG 4.01Å; Y1005-K1115 HydrophobicContact CE1-CG 4.44Å; Y1005-K1115 HydrophobicContact CG-CB 3.97Å; Y1005-K1115 HydrophobicContact CG-CD 4.17Å; Y1005-K1115 HydrophobicContact CG-CG 3.65Å; L1007-K1115 HydrophobicContact CD1-CB 4.15Å; L1007-K1115 HydrophobicContact CD2-CB 3.8Å; L1007-K1115 HydrophobicContact CD2-CD 3.93Å; L1007-K1115 HydrophobicContact CD2-CG 4.49Å; L1007-K1115 HydrophobicContact CG-CB 4.35Å; I1111-K1115 HydrophobicContact CG2-CD 4.09Å; I1111-K1115 WeakPolarHBondContact O-CG 3.46Å; I1111-K1115 PolarHBondContact O-N 2.72Å; Y1112-K1115 PolarHBondContact O-N 2.95Å; K1115-S1117 PolarHBondContact O-N 2.81Å; K1115-F1118 PolarHBondContact O-N 2.89Å; K1115-N1119 WeakPolarHBondContact O-CB 3.3Å; K1115-N1119 PolarHBondContact O-N 3.11Å; K1115-N1119 PolarHBondContact O-ND2 2.97Å; K1115-N1119 PolarHBondContact O-OD1 3.49Å; K1115-I1319 HydrophobicContact CG-CD1 3.82Å |
| 1116 | E | 90 | Very high | 90.9 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.6 | -168.1 | -166.8 | 151.6 | 0 | 0 | 112.2 | L1007 Y1112 R1113 N1119 K1120 | L1007-E1116 HydrophobicContact CD1-CB 4.25Å; Y1112-E1116 WeakPolarHBondContact O-CB 3.47Å; Y1112-E1116 PolarHBondContact O-N 3.39Å; R1113-E1116 PolarHBondContact O-N 3.32Å; E1116-N1119 PolarHBondContact O-N 3.13Å; E1116-K1120 PolarHBondContact O-N 2.94Å; E1116-K1120 VanDerWaalsContact O-N 3.12Å; E1116-K1120 WeakPolarHBondContact OE1-CE 2.89Å; E1116-K1120 IonicContact OE1-NZ 2.61Å; E1116-K1120 PolarHBondContact OE1-NZ 2.84Å |
| 1117 | S | 89.5 | Confident | 91 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 179 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | R1113 M1114 K1115 | R1113-S1117 WeakPolarHBondContact O-CB 3.48Å; R1113-S1117 PolarHBondContact O-N 3.17Å; M1114-S1117 PolarHBondContact O-N 3.13Å; K1115-S1117 PolarHBondContact O-N 2.81Å |
| 1118 | F | 93.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.2 | -41.1 | 174.4 | 179.9 | -93.5 | 0 | 0 | 0 | 111.4 | V1002 Y1005 M1114 K1115 K1120 Q1121 F1122 L1308 W1312 V1315 | V1002-F1118 HydrophobicContact CG1-CE1 4.45Å; V1002-F1118 HydrophobicContact CG1-CZ 3.91Å; Y1005-F1118 HydrophobicContact CD2-CB 4.17Å; Y1005-F1118 AromaticContact CD2-CD1 3.63Å; Y1005-F1118 HydrophobicContact CD2-CD1 3.63Å; Y1005-F1118 HydrophobicContact CD2-CE1 4.48Å; Y1005-F1118 HydrophobicContact CD2-CG 4.2Å; Y1005-F1118 HydrophobicContact CE2-CB 3.93Å; Y1005-F1118 AromaticContact CE2-CD1 3.43Å; Y1005-F1118 HydrophobicContact CE2-CD1 3.43Å; Y1005-F1118 VanDerWaalsContact CE2-CD1 3.43Å; Y1005-F1118 HydrophobicContact CE2-CE1 4.16Å; Y1005-F1118 AromaticContact CE2-CG 3.76Å; Y1005-F1118 HydrophobicContact CE2-CG 3.76Å; M1114-F1118 PolarHBondContact O-N 3.3Å; K1115-F1118 PolarHBondContact O-N 2.89Å; F1118-K1120 VanDerWaalsContact C-N 3.28Å; F1118-K1120 PolarHBondContact O-N 3.28Å; F1118-Q1121 WeakPolarHBondContact O-CB 3.3Å; F1118-Q1121 PolarHBondContact O-N 3.12Å; F1118-F1122 HydrophobicContact CE1-CB 4.19Å; F1118-F1122 HydrophobicContact CE1-CD2 4.43Å; F1118-F1122 PolarHBondContact O-N 2.84Å; F1118-L1308 HydrophobicContact CE2-CD1 3.88Å; F1118-L1308 HydrophobicContact CE2-CG 4.37Å; F1118-L1308 HydrophobicContact CZ-CD1 4.01Å; F1118-L1308 HydrophobicContact CZ-CG 4.17Å; F1118-W1312 AromaticContact CE1-CD1 3.58Å; F1118-W1312 HydrophobicContact CE1-CG 4.45Å; F1118-W1312 HydrophobicContact CE2-CB 3.69Å; F1118-W1312 HydrophobicContact CE2-CG 4.35Å; F1118-W1312 HydrophobicContact CZ-CB 3.59Å; F1118-W1312 AromaticContact CZ-CD1 3.47Å; F1118-W1312 VanDerWaalsContact CZ-CD1 3.47Å; F1118-W1312 AromaticContact CZ-CG 3.91Å; F1118-W1312 HydrophobicContact CZ-CG 3.91Å; F1118-V1315 HydrophobicContact CB-CG1 4.26Å; F1118-V1315 HydrophobicContact CB-CG2 4.45Å; F1118-V1315 HydrophobicContact CD2-CB 4.49Å; F1118-V1315 HydrophobicContact CD2-CG2 4.02Å |
| 1119 | N | 92.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -38.9 | 178.7 | -72.7 | -10.8 | 0 | 0 | 0 | 112.2 | Y1005 K1115 E1116 Q1121 F1122 D1123 | Y1005-N1119 PolarHBondContact N-OD1 3.49Å; Y1005-N1119 PolarHBondContact O-ND2 3.21Å; K1115-N1119 WeakPolarHBondContact O-CB 3.3Å; K1115-N1119 PolarHBondContact O-N 3.11Å; K1115-N1119 PolarHBondContact O-ND2 2.97Å; K1115-N1119 PolarHBondContact O-OD1 3.49Å; E1116-N1119 PolarHBondContact O-N 3.13Å; N1119-Q1121 VanDerWaalsContact C-N 3.28Å; N1119-Q1121 PolarHBondContact O-N 2.87Å; N1119-F1122 WeakPolarHBondContact O-CB 3.14Å; N1119-F1122 PolarHBondContact O-N 3.31Å; N1119-D1123 PolarHBondContact O-N 3.39Å |
| 1120 | K | 91.3 | Very high | 90.8 | Very high | 115 Ų | 115 | 48.1 Ų | 48.1 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.1 | -40.9 | 173.5 | -72.1 | 175.1 | -174.5 | 167.6 | 0 | 112.7 | E1116 F1118 D1123 E1124 | E1116-K1120 PolarHBondContact O-N 2.94Å; E1116-K1120 VanDerWaalsContact O-N 3.12Å; E1116-K1120 WeakPolarHBondContact OE1-CE 2.89Å; E1116-K1120 IonicContact OE1-NZ 2.61Å; E1116-K1120 PolarHBondContact OE1-NZ 2.84Å; F1118-K1120 VanDerWaalsContact C-N 3.28Å; F1118-K1120 PolarHBondContact O-N 3.28Å; K1120-D1123 PolarHBondContact O-N 3.4Å; K1120-E1124 WeakPolarHBondContact O-CG 3.32Å; K1120-E1124 PolarHBondContact O-N 2.9Å; K1120-E1124 VanDerWaalsContact O-N 3.14Å |
| 1121 | Q | 90.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 51 Ų | 51 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.9 | -35.3 | 177.7 | -66.5 | 169.1 | 15.5 | 0 | 0 | 112.2 | F1118 N1119 D1123 E1124 V1125 L1308 | F1118-Q1121 WeakPolarHBondContact O-CB 3.3Å; F1118-Q1121 PolarHBondContact O-N 3.12Å; N1119-Q1121 VanDerWaalsContact C-N 3.28Å; N1119-Q1121 PolarHBondContact O-N 2.87Å; Q1121-D1123 VanDerWaalsContact C-N 3.32Å; Q1121-E1124 PolarHBondContact O-N 3.47Å; Q1121-V1125 WeakPolarHBondContact O-CG2 3.27Å; Q1121-V1125 PolarHBondContact O-N 3.35Å; Q1121-V1125 VanDerWaalsContact O-N 3.16Å; Q1121-L1308 HydrophobicContact CB-CD1 4.38Å |
| 1122 | F | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 172.4 | 179 | -84.7 | 0 | 0 | 0 | 111 | R991 L993 V1002 N1004 F1118 N1119 V1125 Y1126 L1308 | R991-F1122 HydrophobicContact CB-CE1 4.05Å; R991-F1122 HydrophobicContact CB-CZ 4.16Å; L993-F1122 HydrophobicContact CB-CE2 4.08Å; L993-F1122 HydrophobicContact CB-CZ 4.34Å; L993-F1122 HydrophobicContact CD1-CD2 3.99Å; L993-F1122 HydrophobicContact CD1-CE1 4.34Å; L993-F1122 HydrophobicContact CD1-CE2 3.64Å; L993-F1122 HydrophobicContact CD1-CG 4.48Å; L993-F1122 HydrophobicContact CD1-CZ 3.85Å; L993-F1122 HydrophobicContact CG-CE1 4.37Å; L993-F1122 HydrophobicContact CG-CE2 3.71Å; L993-F1122 HydrophobicContact CG-CZ 3.62Å; V1002-F1122 HydrophobicContact CG1-CD2 4.29Å; V1002-F1122 HydrophobicContact CG1-CE2 4.48Å; N1004-F1122 HydrophobicContact CB-CB 4.32Å; N1004-F1122 HydrophobicContact CB-CD1 3.61Å; N1004-F1122 HydrophobicContact CB-CD2 4Å; N1004-F1122 HydrophobicContact CB-CE1 3.82Å; N1004-F1122 HydrophobicContact CB-CE2 4.19Å; N1004-F1122 HydrophobicContact CB-CG 3.71Å; N1004-F1122 HydrophobicContact CB-CZ 4.09Å; F1118-F1122 HydrophobicContact CE1-CB 4.19Å; F1118-F1122 HydrophobicContact CE1-CD2 4.43Å; F1118-F1122 PolarHBondContact O-N 2.84Å; N1119-F1122 WeakPolarHBondContact O-CB 3.14Å; N1119-F1122 PolarHBondContact O-N 3.31Å; F1122-V1125 PolarHBondContact O-N 3.37Å; F1122-Y1126 WeakPolarHBondContact O-CB 3.21Å; F1122-Y1126 PolarHBondContact O-N 2.94Å; F1122-L1308 HydrophobicContact CD2-CD2 4.2Å |
| 1123 | D | 90.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.8 | -66.1 | -25.6 | 0 | 0 | 0 | 111.5 | N1119 K1120 Q1121 Y1126 E1127 | N1119-D1123 PolarHBondContact O-N 3.39Å; K1120-D1123 PolarHBondContact O-N 3.4Å; Q1121-D1123 VanDerWaalsContact C-N 3.32Å; D1123-Y1126 WeakPolarHBondContact O-CB 3.21Å; D1123-Y1126 PolarHBondContact O-N 3.03Å; D1123-E1127 WeakPolarHBondContact O-CG 3.16Å; D1123-E1127 PolarHBondContact O-N 3.32Å |
| 1124 | E | 92.2 | Very high | 90.4 | Very high | 121 Ų | 121 | 48.1 Ų | 48.1 | 57% | 0.565 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.6 | -45.5 | 172.4 | -73.3 | 169.7 | -167.2 | 0 | 0 | 112.4 | K1120 Q1121 Y1126 E1127 K1128 | K1120-E1124 WeakPolarHBondContact O-CG 3.32Å; K1120-E1124 PolarHBondContact O-N 2.9Å; K1120-E1124 VanDerWaalsContact O-N 3.14Å; Q1121-E1124 PolarHBondContact O-N 3.47Å; E1124-Y1126 VanDerWaalsContact C-N 3.33Å; E1124-E1127 PolarHBondContact O-N 3.01Å; E1124-K1128 WeakPolarHBondContact O-CG 3.4Å; E1124-K1128 PolarHBondContact O-N 2.97Å; E1124-K1128 VanDerWaalsContact O-N 3.07Å |
| 1125 | V | 92.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -32.7 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | L993 Q1121 F1122 K1128 K1129 F1301 L1308 | L993-V1125 HydrophobicContact CD1-CB 4.21Å; L993-V1125 HydrophobicContact CD1-CG1 3.96Å; Q1121-V1125 WeakPolarHBondContact O-CG2 3.27Å; Q1121-V1125 PolarHBondContact O-N 3.35Å; Q1121-V1125 VanDerWaalsContact O-N 3.16Å; F1122-V1125 PolarHBondContact O-N 3.37Å; V1125-K1128 PolarHBondContact O-N 2.85Å; V1125-K1129 PolarHBondContact O-N 3.39Å; V1125-F1301 HydrophobicContact CG1-CE2 3.91Å; V1125-F1301 HydrophobicContact CG1-CZ 4.23Å; V1125-L1308 HydrophobicContact CB-CD2 4.08Å; V1125-L1308 HydrophobicContact CG1-CD2 4.2Å; V1125-L1308 HydrophobicContact CG2-CD1 4.31Å; V1125-L1308 HydrophobicContact CG2-CD2 4.08Å |
| 1126 | Y | 91.2 | Very high | 90.2 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 13% | 0.129 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.9 | -178.8 | -89.2 | 0 | 0 | 0 | 111.8 | L993 F1122 D1123 E1124 K1128 K1129 A1130 F1164 E1169 | L993-Y1126 HydrophobicContact CD2-CD2 3.77Å; L993-Y1126 HydrophobicContact CG-CD2 4.42Å; F1122-Y1126 WeakPolarHBondContact O-CB 3.21Å; F1122-Y1126 PolarHBondContact O-N 2.94Å; D1123-Y1126 WeakPolarHBondContact O-CB 3.21Å; D1123-Y1126 PolarHBondContact O-N 3.03Å; E1124-Y1126 VanDerWaalsContact C-N 3.33Å; Y1126-K1128 VanDerWaalsContact C-N 3.33Å; Y1126-K1128 PolarHBondContact O-N 3.29Å; Y1126-K1129 PolarHBondContact O-N 3.09Å; Y1126-A1130 PolarHBondContact O-N 3.33Å; Y1126-F1164 HydrophobicContact CE2-CD1 4.47Å; Y1126-F1164 HydrophobicContact CE2-CE1 4Å; Y1126-F1164 HydrophobicContact CE2-CZ 4.43Å; Y1126-E1169 WeakPolarHBondContact OH-CG 3.39Å |
| 1127 | E | 90.3 | Very high | 89.9 | Confident | 142 Ų | 142 | 51.4 Ų | 51.4 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 174.2 | -73.4 | -172.6 | 171.8 | 0 | 0 | 112 | D1123 E1124 A1130 S1131 | D1123-E1127 WeakPolarHBondContact O-CG 3.16Å; D1123-E1127 PolarHBondContact O-N 3.32Å; E1124-E1127 PolarHBondContact O-N 3.01Å; E1127-A1130 WeakPolarHBondContact O-CB 3.49Å; E1127-A1130 PolarHBondContact O-N 3.02Å; E1127-S1131 PolarHBondContact O-N 2.91Å |
| 1128 | K | 89.6 | Confident | 89.8 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 172.4 | -73.5 | -175.7 | -180 | -174.9 | 0 | 111.9 | E1124 V1125 Y1126 A1130 S1131 H1132 E1304 | E1124-K1128 WeakPolarHBondContact O-CG 3.4Å; E1124-K1128 PolarHBondContact O-N 2.97Å; E1124-K1128 VanDerWaalsContact O-N 3.07Å; V1125-K1128 PolarHBondContact O-N 2.85Å; Y1126-K1128 VanDerWaalsContact C-N 3.33Å; Y1126-K1128 PolarHBondContact O-N 3.29Å; K1128-A1130 VanDerWaalsContact C-N 3.28Å; K1128-A1130 PolarHBondContact O-N 3.22Å; K1128-S1131 WeakPolarHBondContact O-CA 3.48Å; K1128-S1131 WeakPolarHBondContact O-CB 3.45Å; K1128-S1131 PolarHBondContact O-N 3.4Å; K1128-S1131 PolarHBondContact O-OG 3.27Å; K1128-H1132 PolarHBondContact O-CD2 3.18Å; K1128-H1132 PolarHBondContact O-N 2.87Å; K1128-E1304 WeakPolarHBondContact CD-OE2 3.18Å; K1128-E1304 VanDerWaalsContact NZ-CD 3.27Å; K1128-E1304 IonicContact NZ-OE1 2.89Å; K1128-E1304 PolarHBondContact NZ-OE1 3.21Å; K1128-E1304 IonicContact NZ-OE2 3.52Å; K1128-E1304 PolarHBondContact NZ-OE2 3.41Å; K1128-E1304 VanDerWaalsContact NZ-OE2 3.11Å |
| 1129 | K | 90.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.035 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 176.2 | -167.2 | 172.6 | 178.8 | 173.6 | 0 | 111.1 | L993 K994 V1125 Y1126 S1131 H1132 L1133 F1164 E1168 F1301 | L993-K1129 HydrophobicContact CD2-CB 4.37Å; L993-K1129 HydrophobicContact CD2-CD 3.71Å; K994-K1129 PolarHBondContact O-NZ 3.03Å; V1125-K1129 PolarHBondContact O-N 3.39Å; Y1126-K1129 PolarHBondContact O-N 3.09Å; K1129-S1131 VanDerWaalsContact C-N 3.32Å; K1129-S1131 PolarHBondContact O-N 3.2Å; K1129-H1132 PolarHBondContact O-N 2.96Å; K1129-L1133 HydrophobicContact CG-CD1 4.28Å; K1129-L1133 WeakPolarHBondContact O-CB 3.15Å; K1129-L1133 WeakPolarHBondContact O-CG 3.41Å; K1129-L1133 PolarHBondContact O-N 3.37Å; K1129-F1164 HydrophobicContact CB-CE1 4.27Å; K1129-F1164 HydrophobicContact CB-CZ 4.46Å; K1129-F1164 HydrophobicContact CD-CD1 4.44Å; K1129-F1164 HydrophobicContact CD-CE1 3.84Å; K1129-F1164 HydrophobicContact CG-CE1 3.96Å; K1129-F1164 HydrophobicContact CG-CZ 4.38Å; K1129-E1168 IonicContact NZ-OE1 3.06Å; K1129-E1168 PolarHBondContact NZ-OE1 3.02Å; K1129-E1168 IonicContact NZ-OE2 2.72Å; K1129-E1168 PolarHBondContact NZ-OE2 3.39Å; K1129-F1301 HydrophobicContact CB-CD2 4.34Å; K1129-F1301 HydrophobicContact CB-CE1 4.47Å; K1129-F1301 HydrophobicContact CB-CE2 3.48Å; K1129-F1301 VanDerWaalsContact CB-CE2 3.48Å; K1129-F1301 HydrophobicContact CB-CZ 3.57Å; K1129-F1301 HydrophobicContact CD-CE1 3.75Å; K1129-F1301 HydrophobicContact CD-CE2 4.31Å; K1129-F1301 HydrophobicContact CD-CZ 3.51Å; K1129-F1301 HydrophobicContact CG-CE1 4.01Å; K1129-F1301 HydrophobicContact CG-CE2 3.88Å; K1129-F1301 HydrophobicContact CG-CZ 3.59Å |
| 1130 | A | 87.4 | Confident | 89.2 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1126 E1127 K1128 L1133 A1134 F1164 | Y1126-A1130 PolarHBondContact O-N 3.33Å; E1127-A1130 WeakPolarHBondContact O-CB 3.49Å; E1127-A1130 PolarHBondContact O-N 3.02Å; K1128-A1130 VanDerWaalsContact C-N 3.28Å; K1128-A1130 PolarHBondContact O-N 3.22Å; A1130-L1133 PolarHBondContact O-N 2.98Å; A1130-A1134 WeakPolarHBondContact O-CB 3.44Å; A1130-A1134 PolarHBondContact O-N 3.12Å; A1130-F1164 HydrophobicContact CB-CE2 4.13Å; A1130-F1164 HydrophobicContact CB-CZ 3.87Å |
| 1131 | S | 88.5 | Confident | 88.8 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 176 | 82.9 | 0 | 0 | 0 | 0 | 112.9 | E1127 K1128 K1129 A1134 N1135 | E1127-S1131 PolarHBondContact O-N 2.91Å; K1128-S1131 WeakPolarHBondContact O-CA 3.48Å; K1128-S1131 WeakPolarHBondContact O-CB 3.45Å; K1128-S1131 PolarHBondContact O-N 3.4Å; K1128-S1131 PolarHBondContact O-OG 3.27Å; K1129-S1131 VanDerWaalsContact C-N 3.32Å; K1129-S1131 PolarHBondContact O-N 3.2Å; S1131-A1134 PolarHBondContact O-N 3.08Å; S1131-N1135 WeakPolarHBondContact O-CB 3.16Å; S1131-N1135 PolarHBondContact O-N 3Å |
| 1132 | H | 89.5 | Confident | 88.6 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 18% | 0.181 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 176.3 | -71.7 | -60.9 | 0 | 0 | 0 | 111.3 | K1128 K1129 N1135 I1136 I1297 F1301 | K1128-H1132 PolarHBondContact O-CD2 3.18Å; K1128-H1132 PolarHBondContact O-N 2.87Å; K1129-H1132 PolarHBondContact O-N 2.96Å; H1132-N1135 PolarHBondContact O-N 3.3Å; H1132-I1136 WeakPolarHBondContact O-CB 3.48Å; H1132-I1136 VanDerWaalsContact O-CG1 3.25Å; H1132-I1136 WeakPolarHBondContact O-CG1 3.36Å; H1132-I1136 PolarHBondContact O-N 3.06Å; H1132-I1297 HydrophobicContact CB-CG2 3.94Å; H1132-F1301 AromaticContact CD2-CD2 3.86Å |
| 1133 | L | 87.1 | Confident | 88.2 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.8 | -75.9 | 173.9 | 0 | 0 | 0 | 112 | F996 K1129 A1130 N1135 I1136 Q1137 P1162 F1164 | F996-L1133 HydrophobicContact CE1-CD2 3.83Å; F996-L1133 HydrophobicContact CZ-CD2 3.92Å; F996-L1133 HydrophobicContact CZ-CG 4.31Å; K1129-L1133 HydrophobicContact CG-CD1 4.28Å; K1129-L1133 WeakPolarHBondContact O-CB 3.15Å; K1129-L1133 WeakPolarHBondContact O-CG 3.41Å; K1129-L1133 PolarHBondContact O-N 3.37Å; A1130-L1133 PolarHBondContact O-N 2.98Å; L1133-N1135 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 2.66Å; L1133-I1136 PolarHBondContact O-N 3.16Å; L1133-Q1137 WeakPolarHBondContact O-CB 2.95Å; L1133-Q1137 PolarHBondContact O-N 2.84Å; L1133-P1162 HydrophobicContact CD2-CB 3.96Å; L1133-P1162 HydrophobicContact CD2-CG 4.24Å; L1133-F1164 HydrophobicContact CD1-CD1 4.02Å; L1133-F1164 HydrophobicContact CD1-CD2 3.74Å; L1133-F1164 HydrophobicContact CD1-CE1 3.85Å; L1133-F1164 HydrophobicContact CD1-CE2 3.55Å; L1133-F1164 HydrophobicContact CD1-CG 3.97Å; L1133-F1164 HydrophobicContact CD1-CZ 3.61Å |
| 1134 | A | 86.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1130 S1131 Q1137 T1138 | A1130-A1134 WeakPolarHBondContact O-CB 3.44Å; A1130-A1134 PolarHBondContact O-N 3.12Å; S1131-A1134 PolarHBondContact O-N 3.08Å; A1134-Q1137 PolarHBondContact O-N 2.7Å; A1134-T1138 WeakPolarHBondContact O-CG2 3.4Å; A1134-T1138 PolarHBondContact O-N 2.79Å |
| 1135 | N | 89.3 | Confident | 87.3 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.2 | -169.3 | -1 | 0 | 0 | 0 | 111.3 | S1131 H1132 L1133 Q1137 T1138 K1139 | S1131-N1135 WeakPolarHBondContact O-CB 3.16Å; S1131-N1135 PolarHBondContact O-N 3Å; H1132-N1135 PolarHBondContact O-N 3.3Å; L1133-N1135 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 2.66Å; N1135-Q1137 VanDerWaalsContact C-N 3.27Å; N1135-Q1137 PolarHBondContact O-N 2.75Å; N1135-T1138 PolarHBondContact O-N 3.09Å; N1135-T1138 VanDerWaalsContact O-N 3.13Å; N1135-T1138 PolarHBondContact O-OG1 3.45Å; N1135-K1139 PolarHBondContact O-N 2.82Å; N1135-K1139 WeakPolarHBondContact OD1-CE 3.48Å |
| 1136 | I | 88.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 175.4 | -68.4 | 164.2 | 0 | 0 | 0 | 110.6 | F996 H1132 L1133 T1138 K1139 L1140 P1162 I1294 I1297 | F996-I1136 HydrophobicContact CZ-CD1 4.31Å; H1132-I1136 WeakPolarHBondContact O-CB 3.48Å; H1132-I1136 VanDerWaalsContact O-CG1 3.25Å; H1132-I1136 WeakPolarHBondContact O-CG1 3.36Å; H1132-I1136 PolarHBondContact O-N 3.06Å; L1133-I1136 PolarHBondContact O-N 3.16Å; I1136-T1138 PolarHBondContact O-N 2.95Å; I1136-K1139 PolarHBondContact O-N 3.42Å; I1136-L1140 HydrophobicContact CG2-CD1 3.71Å; I1136-L1140 HydrophobicContact CG2-CG 4.05Å; I1136-L1140 WeakPolarHBondContact O-CB 3.26Å; I1136-L1140 VanDerWaalsContact O-CG 3.27Å; I1136-L1140 WeakPolarHBondContact O-CG 3.45Å; I1136-L1140 PolarHBondContact O-N 2.89Å; I1136-P1162 HydrophobicContact CG2-CG 3.71Å; I1136-I1294 HydrophobicContact CG1-CG2 4.48Å; I1136-I1294 HydrophobicContact CG2-CG2 4.37Å; I1136-I1297 HydrophobicContact CD1-CG2 3.99Å; I1136-I1297 HydrophobicContact CG1-CG2 4.1Å |
| 1137 | Q | 85.3 | Confident | 86.3 | Confident | 122 Ų | 122 | 53.7 Ų | 53.7 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 177.1 | -172.5 | 174.8 | -6.7 | 0 | 0 | 112.5 | L1133 A1134 N1135 K1139 L1140 S1141 | L1133-Q1137 WeakPolarHBondContact O-CB 2.95Å; L1133-Q1137 PolarHBondContact O-N 2.84Å; A1134-Q1137 PolarHBondContact O-N 2.7Å; N1135-Q1137 VanDerWaalsContact C-N 3.27Å; N1135-Q1137 PolarHBondContact O-N 2.75Å; Q1137-K1139 VanDerWaalsContact C-N 3.34Å; Q1137-L1140 PolarHBondContact O-N 3.2Å; Q1137-S1141 WeakPolarHBondContact O-CB 3.41Å; Q1137-S1141 PolarHBondContact O-N 3.26Å |
| 1138 | T | 86.8 | Confident | 85.7 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 173.3 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | A1134 N1135 I1136 S1141 R1142 | A1134-T1138 WeakPolarHBondContact O-CG2 3.4Å; A1134-T1138 PolarHBondContact O-N 2.79Å; N1135-T1138 PolarHBondContact O-N 3.09Å; N1135-T1138 VanDerWaalsContact O-N 3.13Å; N1135-T1138 PolarHBondContact O-OG1 3.45Å; I1136-T1138 PolarHBondContact O-N 2.95Å; T1138-S1141 WeakPolarHBondContact O-CB 3.26Å; T1138-S1141 PolarHBondContact O-N 3Å; T1138-S1141 PolarHBondContact O-OG 3.29Å; T1138-R1142 PolarHBondContact O-N 2.87Å; T1138-R1142 VanDerWaalsContact O-N 3.11Å |
| 1139 | K | 87.3 | Confident | 85.2 | Confident | 33 Ų | 33 | 48.4 Ų | 48.4 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 175.5 | -67.9 | -171.3 | -173.6 | -159.9 | 0 | 112.7 | N1135 I1136 Q1137 S1141 R1142 I1143 I1290 E1293 I1294 I1297 | N1135-K1139 PolarHBondContact O-N 2.82Å; N1135-K1139 WeakPolarHBondContact OD1-CE 3.48Å; I1136-K1139 PolarHBondContact O-N 3.42Å; Q1137-K1139 VanDerWaalsContact C-N 3.34Å; K1139-S1141 VanDerWaalsContact C-N 3.3Å; K1139-S1141 PolarHBondContact O-N 3.23Å; K1139-R1142 WeakPolarHBondContact O-CA 3.35Å; K1139-R1142 WeakPolarHBondContact O-CB 3.46Å; K1139-R1142 PolarHBondContact O-N 3.24Å; K1139-R1142 VanDerWaalsContact O-N 3.1Å; K1139-I1143 WeakPolarHBondContact O-CG1 3.42Å; K1139-I1143 PolarHBondContact O-N 3.01Å; K1139-I1290 HydrophobicContact CB-CG2 3.72Å; K1139-I1290 HydrophobicContact CD-CG2 4.31Å; K1139-I1290 HydrophobicContact CG-CG2 4.25Å; K1139-E1293 IonicContact NZ-OE2 3.49Å; K1139-E1293 PolarHBondContact NZ-OE2 3.45Å; K1139-I1294 HydrophobicContact CB-CD1 4.04Å; K1139-I1294 HydrophobicContact CB-CG1 4.09Å; K1139-I1294 HydrophobicContact CD-CG1 3.97Å; K1139-I1297 HydrophobicContact CD-CD1 4.25Å |
| 1140 | L | 85.2 | Confident | 84.7 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 174.1 | -71 | 171.5 | 0 | 0 | 0 | 111.7 | I1136 Q1137 R1142 I1143 R1144 L1159 N1161 P1162 I1294 | I1136-L1140 HydrophobicContact CG2-CD1 3.71Å; I1136-L1140 HydrophobicContact CG2-CG 4.05Å; I1136-L1140 WeakPolarHBondContact O-CB 3.26Å; I1136-L1140 VanDerWaalsContact O-CG 3.27Å; I1136-L1140 WeakPolarHBondContact O-CG 3.45Å; I1136-L1140 PolarHBondContact O-N 2.89Å; Q1137-L1140 PolarHBondContact O-N 3.2Å; L1140-R1142 VanDerWaalsContact C-N 3.3Å; L1140-R1142 PolarHBondContact O-N 3.18Å; L1140-I1143 HydrophobicContact CD2-CD1 4.25Å; L1140-I1143 PolarHBondContact O-N 3.48Å; L1140-R1144 WeakPolarHBondContact O-CG 3.31Å; L1140-R1144 PolarHBondContact O-N 2.83Å; L1140-L1159 HydrophobicContact CB-CD2 4.49Å; L1140-L1159 HydrophobicContact CD2-CD1 3.7Å; L1140-L1159 HydrophobicContact CD2-CD2 3.93Å; L1140-L1159 HydrophobicContact CD2-CG 3.87Å; L1140-N1161 WeakPolarHBondContact CD1-OD1 3.47Å; L1140-P1162 HydrophobicContact CD1-CG 4.3Å; L1140-I1294 HydrophobicContact CD2-CD1 4.21Å; L1140-I1294 HydrophobicContact CG-CD1 4.44Å |
| 1141 | S | 83.3 | Confident | 83.6 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 172.9 | 84.2 | 0 | 0 | 0 | 0 | 112 | Q1137 T1138 K1139 R1144 K1145 | Q1137-S1141 WeakPolarHBondContact O-CB 3.41Å; Q1137-S1141 PolarHBondContact O-N 3.26Å; T1138-S1141 WeakPolarHBondContact O-CB 3.26Å; T1138-S1141 PolarHBondContact O-N 3Å; T1138-S1141 PolarHBondContact O-OG 3.29Å; K1139-S1141 VanDerWaalsContact C-N 3.3Å; K1139-S1141 PolarHBondContact O-N 3.23Å; S1141-R1144 PolarHBondContact O-N 2.69Å; S1141-K1145 WeakPolarHBondContact O-CG 3.45Å; S1141-K1145 PolarHBondContact O-N 3.23Å; S1141-K1145 VanDerWaalsContact O-N 3.1Å |
| 1142 | R | 86.2 | Confident | 82.7 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 172.6 | -179.7 | 60.4 | 175.3 | 150.5 | -0.7 | 111.4 | T1138 K1139 L1140 R1144 K1145 I1146 I1290 | T1138-R1142 PolarHBondContact O-N 2.87Å; T1138-R1142 VanDerWaalsContact O-N 3.11Å; K1139-R1142 WeakPolarHBondContact O-CA 3.35Å; K1139-R1142 WeakPolarHBondContact O-CB 3.46Å; K1139-R1142 PolarHBondContact O-N 3.24Å; K1139-R1142 VanDerWaalsContact O-N 3.1Å; L1140-R1142 VanDerWaalsContact C-N 3.3Å; L1140-R1142 PolarHBondContact O-N 3.18Å; R1142-R1144 VanDerWaalsContact C-N 3.34Å; R1142-R1144 PolarHBondContact O-N 2.71Å; R1142-K1145 WeakPolarHBondContact O-CB 3.3Å; R1142-K1145 PolarHBondContact O-N 3.22Å; R1142-I1146 HydrophobicContact CG-CD1 4.04Å; R1142-I1146 VanDerWaalsContact O-CG1 3.31Å; R1142-I1146 WeakPolarHBondContact O-CG1 3.27Å; R1142-I1146 PolarHBondContact O-N 2.76Å; R1142-I1290 HydrophobicContact CB-CD1 4.33Å; R1142-I1290 HydrophobicContact CG-CD1 3.59Å |
| 1143 | I | 85.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.2 | -70.4 | 171.6 | 0 | 0 | 0 | 111.2 | K1139 L1140 K1145 I1146 H1147 L1159 I1290 Y1291 I1294 | K1139-I1143 WeakPolarHBondContact O-CG1 3.42Å; K1139-I1143 PolarHBondContact O-N 3.01Å; L1140-I1143 HydrophobicContact CD2-CD1 4.25Å; L1140-I1143 PolarHBondContact O-N 3.48Å; I1143-K1145 PolarHBondContact O-N 2.9Å; I1143-I1146 PolarHBondContact O-N 2.87Å; I1143-H1147 PolarHBondContact O-CD2 3.03Å; I1143-H1147 PolarHBondContact O-N 3.1Å; I1143-L1159 HydrophobicContact CG2-CD1 4.14Å; I1143-L1159 HydrophobicContact CG2-CD2 4.04Å; I1143-I1290 HydrophobicContact CD1-CB 4.33Å; I1143-I1290 HydrophobicContact CD1-CG2 3.68Å; I1143-I1290 HydrophobicContact CG1-CB 4.24Å; I1143-I1290 HydrophobicContact CG1-CG2 3.77Å; I1143-Y1291 HydrophobicContact CD1-CD1 4.21Å; I1143-Y1291 HydrophobicContact CD1-CE1 3.95Å; I1143-Y1291 HydrophobicContact CD1-CE2 4.38Å; I1143-I1294 HydrophobicContact CD1-CD1 3.74Å |
| 1144 | R | 82.2 | Confident | 80.2 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.1 | -73.2 | -178.8 | -174.9 | 145 | 5.3 | 112 | L1140 S1141 R1142 H1147 T1148 L1156 L1159 N1161 | L1140-R1144 WeakPolarHBondContact O-CG 3.31Å; L1140-R1144 PolarHBondContact O-N 2.83Å; S1141-R1144 PolarHBondContact O-N 2.69Å; R1142-R1144 VanDerWaalsContact C-N 3.34Å; R1142-R1144 PolarHBondContact O-N 2.71Å; R1144-H1147 PolarHBondContact O-N 2.86Å; R1144-T1148 PolarHBondContact O-N 2.72Å; R1144-T1148 PolarHBondContact O-OG1 3.38Å; R1144-T1148 VanDerWaalsContact O-OG1 3.08Å; R1144-L1156 HydrophobicContact CB-CD2 4.01Å; R1144-L1156 HydrophobicContact CG-CD2 3.79Å; R1144-L1159 HydrophobicContact CG-CD2 3.74Å; R1144-N1161 PolarHBondContact NH2-ND2 2.88Å; R1144-N1161 PolarHBondContact NH2-OD1 2.96Å |
| 1145 | K | 81.3 | Confident | 78.8 | Confident | 125 Ų | 125 | 62.5 Ų | 62.5 | 54% | 0.543 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 173.6 | -71.6 | 179.4 | 179.7 | -175.4 | 0 | 110.9 | S1141 R1142 I1143 H1147 T1148 D1149 | S1141-K1145 WeakPolarHBondContact O-CG 3.45Å; S1141-K1145 PolarHBondContact O-N 3.23Å; S1141-K1145 VanDerWaalsContact O-N 3.1Å; R1142-K1145 WeakPolarHBondContact O-CB 3.3Å; R1142-K1145 PolarHBondContact O-N 3.22Å; I1143-K1145 PolarHBondContact O-N 2.9Å; K1145-H1147 PolarHBondContact O-N 2.91Å; K1145-T1148 WeakPolarHBondContact CA-OG1 3.32Å; K1145-T1148 PolarHBondContact O-N 3.24Å; K1145-T1148 PolarHBondContact O-OG1 2.85Å; K1145-D1149 WeakPolarHBondContact O-CB 3.32Å; K1145-D1149 PolarHBondContact O-N 3.19Å |
| 1146 | I | 81.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.6 | -64.7 | 166.2 | 0 | 0 | 0 | 111.8 | R1142 I1143 D1149 L1150 L1283 D1286 L1287 I1290 | R1142-I1146 HydrophobicContact CG-CD1 4.04Å; R1142-I1146 VanDerWaalsContact O-CG1 3.31Å; R1142-I1146 WeakPolarHBondContact O-CG1 3.27Å; R1142-I1146 PolarHBondContact O-N 2.76Å; I1143-I1146 PolarHBondContact O-N 2.87Å; I1146-D1149 PolarHBondContact O-N 2.75Å; I1146-L1150 HydrophobicContact CG2-CD1 3.81Å; I1146-L1150 HydrophobicContact CG2-CG 4.33Å; I1146-L1150 WeakPolarHBondContact O-CB 3.39Å; I1146-L1150 VanDerWaalsContact O-CG 3.32Å; I1146-L1150 WeakPolarHBondContact O-CG 3.21Å; I1146-L1150 PolarHBondContact O-N 3Å; I1146-L1283 HydrophobicContact CG1-CD2 4.15Å; I1146-L1283 HydrophobicContact CG2-CB 4Å; I1146-L1283 HydrophobicContact CG2-CD2 4.18Å; I1146-D1286 HydrophobicContact CD1-CB 4.42Å; I1146-L1287 HydrophobicContact CG2-CB 4.23Å; I1146-L1287 HydrophobicContact CG2-CD1 4.08Å; I1146-I1290 HydrophobicContact CD1-CD1 3.69Å |
| 1147 | H | 81.4 | Confident | 75.8 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -35.9 | 176.8 | -84.8 | -55.7 | 0 | 0 | 0 | 113.4 | I1143 R1144 K1145 D1149 Q1151 Q1152 L1156 | I1143-H1147 PolarHBondContact O-CD2 3.03Å; I1143-H1147 PolarHBondContact O-N 3.1Å; R1144-H1147 PolarHBondContact O-N 2.86Å; K1145-H1147 PolarHBondContact O-N 2.91Å; H1147-D1149 VanDerWaalsContact C-N 3.34Å; H1147-Q1151 PolarHBondContact O-N 3.13Å; H1147-Q1152 PolarHBondContact O-N 3.23Å; H1147-L1156 HydrophobicContact CB-CD1 3.73Å; H1147-L1156 HydrophobicContact CB-CG 4.27Å |
| 1148 | T | 77.3 | Confident | 74.4 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 170.6 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | R1144 K1145 Q1151 L1156 | R1144-T1148 PolarHBondContact O-N 2.72Å; R1144-T1148 PolarHBondContact O-OG1 3.38Å; R1144-T1148 VanDerWaalsContact O-OG1 3.08Å; K1145-T1148 WeakPolarHBondContact CA-OG1 3.32Å; K1145-T1148 PolarHBondContact O-N 3.24Å; K1145-T1148 PolarHBondContact O-OG1 2.85Å; T1148-Q1151 PolarHBondContact O-N 3.49Å; T1148-Q1151 VanDerWaalsContact O-N 3.1Å; T1148-L1156 HydrophobicContact CG2-CD1 4.25Å |
| 1149 | D | 78.5 | Confident | 72.9 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.5 | -35.9 | 179.5 | -61.6 | -24.3 | 0 | 0 | 0 | 112 | K1145 I1146 H1147 Q1151 L1283 | K1145-D1149 WeakPolarHBondContact O-CB 3.32Å; K1145-D1149 PolarHBondContact O-N 3.19Å; I1146-D1149 PolarHBondContact O-N 2.75Å; H1147-D1149 VanDerWaalsContact C-N 3.34Å; D1149-Q1151 PolarHBondContact O-N 2.81Å; D1149-L1283 HydrophobicContact CB-CD1 3.96Å |
| 1150 | L | 79.2 | Confident | 71.8 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -0.3 | 172.8 | -71.7 | 170.8 | 0 | 0 | 0 | 113.8 | I1146 Q1152 K1280 L1283 L1287 | I1146-L1150 HydrophobicContact CG2-CD1 3.81Å; I1146-L1150 HydrophobicContact CG2-CG 4.33Å; I1146-L1150 WeakPolarHBondContact O-CB 3.39Å; I1146-L1150 VanDerWaalsContact O-CG 3.32Å; I1146-L1150 WeakPolarHBondContact O-CG 3.21Å; I1146-L1150 PolarHBondContact O-N 3Å; L1150-Q1152 HydrophobicContact CB-CG 4.37Å; L1150-Q1152 PolarHBondContact O-N 2.86Å; L1150-K1280 HydrophobicContact CD2-CB 4.41Å; L1150-K1280 HydrophobicContact CD2-CG 3.72Å; L1150-L1283 HydrophobicContact CD1-CB 4.44Å; L1150-L1283 HydrophobicContact CD2-CB 4.06Å; L1150-L1283 HydrophobicContact CD2-CD1 4.08Å; L1150-L1283 HydrophobicContact CG-CB 4.27Å; L1150-L1283 HydrophobicContact CG-CD1 4.16Å; L1150-L1287 HydrophobicContact CD1-CD1 4.45Å |
| 1151 | Q | 65.8 | Low | 70.9 | Confident | 159 Ų | 159 | 75.7 Ų | 75.7 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 37.7 | -174.4 | -60.9 | -177.2 | -10.6 | 0 | 0 | 113.3 | H1147 T1148 D1149 P1153 | H1147-Q1151 PolarHBondContact O-N 3.13Å; T1148-Q1151 PolarHBondContact O-N 3.49Å; T1148-Q1151 VanDerWaalsContact O-N 3.1Å; D1149-Q1151 PolarHBondContact O-N 2.81Å; Q1151-P1153 WeakPolarHBondContact O-CD 3.39Å |
| 1152 | Q | 68.7 | Low | 70.3 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | trans | -110.7 | 62.1 | 176.2 | -70.2 | 178 | -5.9 | 0 | 0 | 111.8 | H1147 L1150 H1154 L1155 | H1147-Q1152 PolarHBondContact O-N 3.23Å; L1150-Q1152 HydrophobicContact CB-CG 4.37Å; L1150-Q1152 PolarHBondContact O-N 2.86Å; Q1152-H1154 PolarHBondContact O-N 2.84Å; Q1152-L1155 HydrophobicContact CB-CD1 4.05Å; Q1152-L1155 HydrophobicContact CG-CD1 4.38Å; Q1152-L1155 PolarHBondContact O-N 2.87Å; Q1152-L1155 VanDerWaalsContact OE1-CD1 3.24Å | ||
| 1153 | P | 58.2 | Low | 69.9 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.4 | -176.7 | 27.8 | -34.6 | 0 | 0 | 0 | 113.6 | Q1151 L1155 L1156 | Q1151-P1153 WeakPolarHBondContact O-CD 3.39Å; P1153-L1155 VanDerWaalsContact C-N 3.28Å; P1153-L1155 PolarHBondContact O-N 2.9Å; P1153-L1156 WeakPolarHBondContact O-CB 3.3Å; P1153-L1156 PolarHBondContact O-N 3.13Å |
| 1154 | H | 65.2 | Low | 69.8 | Low | 122 Ų | 122 | 80.6 Ų | 80.6 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.9 | 177.5 | 61.7 | -82.5 | 0 | 0 | 0 | 112.3 | Q1152 L1156 K1157 | Q1152-H1154 PolarHBondContact O-N 2.84Å; H1154-L1156 VanDerWaalsContact C-N 3.34Å; H1154-K1157 PolarHBondContact O-N 2.69Å |
| 1155 | L | 57.9 | Low | 69.7 | Low | 65 Ų | 65 | 80 Ų | 80 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -73.7 | -21.4 | 177 | -80 | 157.6 | 0 | 0 | 0 | 113 | Q1152 P1153 K1157 H1158 | Q1152-L1155 HydrophobicContact CB-CD1 4.05Å; Q1152-L1155 HydrophobicContact CG-CD1 4.38Å; Q1152-L1155 PolarHBondContact O-N 2.87Å; Q1152-L1155 VanDerWaalsContact OE1-CD1 3.24Å; P1153-L1155 VanDerWaalsContact C-N 3.28Å; P1153-L1155 PolarHBondContact O-N 2.9Å; L1155-K1157 PolarHBondContact O-N 3.06Å; L1155-H1158 PolarHBondContact O-N 3.17Å; L1155-H1158 VanDerWaalsContact O-N 3.13Å |
| 1156 | L | 56.4 | Low | 69.6 | Low | 50 Ų | 50 | 77.4 Ų | 77.4 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -62.5 | -26.2 | 174 | -85.9 | 108.1 | 0 | 0 | 0 | 113 | R1144 H1147 T1148 P1153 H1154 H1158 L1159 | R1144-L1156 HydrophobicContact CB-CD2 4.01Å; R1144-L1156 HydrophobicContact CG-CD2 3.79Å; H1147-L1156 HydrophobicContact CB-CD1 3.73Å; H1147-L1156 HydrophobicContact CB-CG 4.27Å; T1148-L1156 HydrophobicContact CG2-CD1 4.25Å; P1153-L1156 WeakPolarHBondContact O-CB 3.3Å; P1153-L1156 PolarHBondContact O-N 3.13Å; H1154-L1156 VanDerWaalsContact C-N 3.34Å; L1156-H1158 PolarHBondContact O-N 2.83Å; L1156-L1159 PolarHBondContact O-N 2.98Å |
| 1157 | K | 57.4 | Low | 69.7 | Low | 192 Ų | 192 | 81.2 Ų | 81.2 | 84% | 0.835 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -68.5 | -22.7 | 177.3 | -70.5 | -174.3 | 177.5 | -177.3 | 0 | 113.1 | H1154 L1155 | H1154-K1157 PolarHBondContact O-N 2.69Å; L1155-K1157 PolarHBondContact O-N 3.06Å |
| 1158 | H | 56.5 | Low | 70 | Confident | 153 Ų | 153 | 80.8 Ų | 80.8 | 71% | 0.708 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -97.4 | -2.8 | -178.5 | -66.9 | -70.5 | 0 | 0 | 0 | 113.6 | L1155 L1156 T1160 | L1155-H1158 PolarHBondContact O-N 3.17Å; L1155-H1158 VanDerWaalsContact O-N 3.13Å; L1156-H1158 PolarHBondContact O-N 2.83Å; H1158-T1160 PolarHBondContact O-N 2.87Å |
| 1159 | L | 56.6 | Low | 70.2 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 12% | 0.12 | 40% | 0.404 | C | S | . | . | trans | -81.3 | 87.3 | 178.9 | -166.7 | 73.2 | 0 | 0 | 0 | 110.2 | L1140 I1143 R1144 L1156 N1161 Y1291 | L1140-L1159 HydrophobicContact CB-CD2 4.49Å; L1140-L1159 HydrophobicContact CD2-CD1 3.7Å; L1140-L1159 HydrophobicContact CD2-CD2 3.93Å; L1140-L1159 HydrophobicContact CD2-CG 3.87Å; I1143-L1159 HydrophobicContact CG2-CD1 4.14Å; I1143-L1159 HydrophobicContact CG2-CD2 4.04Å; R1144-L1159 HydrophobicContact CG-CD2 3.74Å; L1156-L1159 PolarHBondContact O-N 2.98Å; L1159-N1161 PolarHBondContact O-N 2.97Å; L1159-Y1291 HydrophobicContact CD1-CE1 4.46Å | ||
| 1160 | T | 62.9 | Low | 70.4 | Confident | 124 Ų | 124 | 78.7 Ų | 78.7 | 76% | 0.761 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -66 | 121.2 | 177.7 | -38.4 | 0 | 0 | 0 | 0 | 110.2 | H1158 P1162 | H1158-T1160 PolarHBondContact O-N 2.87Å; T1160-P1162 WeakPolarHBondContact O-CD 3.32Å |
| 1161 | N | 66 | Low | 70.6 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 116.7 | 172.1 | -98.8 | 1.5 | 0 | 0 | 0 | 108.9 | L1140 R1144 L1159 K1163 | L1140-N1161 WeakPolarHBondContact CD1-OD1 3.47Å; R1144-N1161 PolarHBondContact NH2-ND2 2.88Å; R1144-N1161 PolarHBondContact NH2-OD1 2.96Å; L1159-N1161 PolarHBondContact O-N 2.97Å; N1161-K1163 PolarHBondContact O-N 2.69Å |
| 1162 | P | 72.3 | Confident | 71.1 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 120.6 | 168.3 | 26.8 | -28.9 | 0 | 0 | 0 | 108 | F996 L1133 I1136 L1140 T1160 | F996-P1162 HydrophobicContact CE1-CB 4.43Å; L1133-P1162 HydrophobicContact CD2-CB 3.96Å; L1133-P1162 HydrophobicContact CD2-CG 4.24Å; I1136-P1162 HydrophobicContact CG2-CG 3.71Å; L1140-P1162 HydrophobicContact CD1-CG 4.3Å; T1160-P1162 WeakPolarHBondContact O-CD 3.32Å |
| 1163 | K | 76.9 | Confident | 71.6 | Confident | 166 Ų | 166 | 83.4 Ų | 83.4 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | trans | -117.4 | 163.4 | 174.2 | -68.2 | -178.1 | 178.4 | -178.2 | 0 | 108 | N1161 D1165 | N1161-K1163 PolarHBondContact O-N 2.69Å; K1163-D1165 PolarHBondContact O-N 2.76Å | ||
| 1164 | F | 83.2 | Confident | 72.4 | Confident | 32 Ų | 32 | 83 Ų | 83 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | trans | -58.4 | 134.6 | 162.7 | -74.7 | -73.2 | 0 | 0 | 0 | 109.2 | Y1126 K1129 A1130 L1133 E1168 E1169 | Y1126-F1164 HydrophobicContact CE2-CD1 4.47Å; Y1126-F1164 HydrophobicContact CE2-CE1 4Å; Y1126-F1164 HydrophobicContact CE2-CZ 4.43Å; K1129-F1164 HydrophobicContact CB-CE1 4.27Å; K1129-F1164 HydrophobicContact CB-CZ 4.46Å; K1129-F1164 HydrophobicContact CD-CD1 4.44Å; K1129-F1164 HydrophobicContact CD-CE1 3.84Å; K1129-F1164 HydrophobicContact CG-CE1 3.96Å; K1129-F1164 HydrophobicContact CG-CZ 4.38Å; A1130-F1164 HydrophobicContact CB-CE2 4.13Å; A1130-F1164 HydrophobicContact CB-CZ 3.87Å; L1133-F1164 HydrophobicContact CD1-CD1 4.02Å; L1133-F1164 HydrophobicContact CD1-CD2 3.74Å; L1133-F1164 HydrophobicContact CD1-CE1 3.85Å; L1133-F1164 HydrophobicContact CD1-CE2 3.55Å; L1133-F1164 HydrophobicContact CD1-CG 3.97Å; L1133-F1164 HydrophobicContact CD1-CZ 3.61Å; F1164-E1168 HydrophobicContact CB-CB 4.38Å; F1164-E1168 HydrophobicContact CD1-CB 3.99Å; F1164-E1168 WeakPolarHBondContact CD1-OE2 3.49Å; F1164-E1169 HydrophobicContact CB-CG 3.93Å; F1164-E1169 HydrophobicContact CD2-CG 4.45Å; F1164-E1169 WeakPolarHBondContact CD2-OE1 3.42Å; F1164-E1169 HydrophobicContact CG-CG 4.17Å | ||
| 1165 | D | 81.3 | Confident | 72.8 | Confident | 71 Ų | 71 | 82.5 Ų | 82.5 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | trans | -69.3 | 154.9 | 171.4 | -103.4 | -14.5 | 0 | 0 | 0 | 109.9 | K994 K1163 D1167 E1168 E1169 | K994-D1165 WeakPolarHBondContact CD-OD2 3.47Å; K994-D1165 IonicContact NZ-OD2 3.92Å; K994-D1165 PolarHBondContact NZ-OD2 2.9Å; K1163-D1165 PolarHBondContact O-N 2.76Å; D1165-D1167 PolarHBondContact O-N 3Å; D1165-D1167 VanDerWaalsContact O-N 3.11Å; D1165-E1168 HydrophobicContact CB-CG 4.04Å; D1165-E1168 PolarHBondContact N-OE2 2.95Å; D1165-E1168 WeakPolarHBondContact O-CA 3.43Å; D1165-E1168 WeakPolarHBondContact O-CB 3.41Å; D1165-E1168 PolarHBondContact O-N 2.8Å; D1165-E1169 PolarHBondContact O-N 3.06Å; D1165-E1169 VanDerWaalsContact O-N 3.13Å | ||
| 1166 | P | 78.7 | Confident | 73.5 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.8 | 175.6 | 24.4 | -33.8 | 0 | 0 | 0 | 112.9 | E1168 E1169 P1170 | P1166-E1168 VanDerWaalsContact C-N 3.32Å; P1166-E1169 CarbonylContact O-C 3.54Å; P1166-E1169 VanDerWaalsContact O-C 3.3Å; P1166-P1170 WeakPolarHBondContact O-CA 3.31Å |
| 1167 | D | 83.1 | Confident | 74.2 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -26.7 | 173 | -61.5 | -33.7 | 0 | 0 | 0 | 112.9 | C992 K994 D1165 | C992-D1167 PolarHBondContact N-O 2.83Å; C992-D1167 VanDerWaalsContact SG-C 3.5Å; C992-D1167 WeakPolarHBondContact SG-CB 3.35Å; C992-D1167 PolarHBondContact SG-O 3.3Å; K994-D1167 WeakPolarHBondContact CE-OD2 3.45Å; K994-D1167 IonicContact NZ-OD2 2.91Å; K994-D1167 PolarHBondContact NZ-OD2 2.82Å; D1165-D1167 PolarHBondContact O-N 3Å; D1165-D1167 VanDerWaalsContact O-N 3.11Å |
| 1168 | E | 88.1 | Confident | 74.8 | Confident | 3 Ų | 3 | 81.7 Ų | 81.7 | 1% | 0.014 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -36.1 | -179.3 | -52.5 | -168.6 | 115.4 | 0 | 0 | 111.5 | C992 L993 K994 K1129 F1164 D1165 P1166 P1170 | C992-E1168 VanDerWaalsContact O-CA 3.25Å; C992-E1168 WeakPolarHBondContact O-CA 3.25Å; C992-E1168 VanDerWaalsContact O-CB 3.31Å; C992-E1168 WeakPolarHBondContact O-CB 3.27Å; C992-E1168 VanDerWaalsContact O-CG 3.29Å; C992-E1168 WeakPolarHBondContact O-CG 2.98Å; L993-E1168 WeakPolarHBondContact CA-OE1 3.43Å; K994-E1168 PolarHBondContact N-OE1 3.17Å; K1129-E1168 IonicContact NZ-OE1 3.06Å; K1129-E1168 PolarHBondContact NZ-OE1 3.02Å; K1129-E1168 IonicContact NZ-OE2 2.72Å; K1129-E1168 PolarHBondContact NZ-OE2 3.39Å; F1164-E1168 HydrophobicContact CB-CB 4.38Å; F1164-E1168 HydrophobicContact CD1-CB 3.99Å; F1164-E1168 WeakPolarHBondContact CD1-OE2 3.49Å; D1165-E1168 HydrophobicContact CB-CG 4.04Å; D1165-E1168 PolarHBondContact N-OE2 2.95Å; D1165-E1168 WeakPolarHBondContact O-CA 3.43Å; D1165-E1168 WeakPolarHBondContact O-CB 3.41Å; D1165-E1168 PolarHBondContact O-N 2.8Å; P1166-E1168 VanDerWaalsContact C-N 3.32Å; E1168-P1170 WeakPolarHBondContact O-CD 3.18Å |
| 1169 | E | 82.3 | Confident | 75.4 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | trans | -112.7 | 72.6 | 170.9 | -72.5 | -172.5 | -176.6 | 0 | 0 | 112 | Y1126 F1164 D1165 P1166 E1171 Q1172 | Y1126-E1169 WeakPolarHBondContact OH-CG 3.39Å; F1164-E1169 HydrophobicContact CB-CG 3.93Å; F1164-E1169 HydrophobicContact CD2-CG 4.45Å; F1164-E1169 WeakPolarHBondContact CD2-OE1 3.42Å; F1164-E1169 HydrophobicContact CG-CG 4.17Å; D1165-E1169 PolarHBondContact O-N 3.06Å; D1165-E1169 VanDerWaalsContact O-N 3.13Å; P1166-E1169 CarbonylContact O-C 3.54Å; P1166-E1169 VanDerWaalsContact O-C 3.3Å; E1169-E1171 PolarHBondContact O-N 2.82Å; E1169-Q1172 HydrophobicContact CB-CG 4.07Å; E1169-Q1172 WeakPolarHBondContact O-CB 3.34Å; E1169-Q1172 PolarHBondContact O-N 3.43Å; E1169-Q1172 PolarHBondContact OE2-NE2 3.22Å | ||
| 1170 | P | 82.4 | Confident | 76.4 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 15% | 0.149 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -62.7 | -13.6 | -180 | 20.2 | -29 | 0 | 0 | 0 | 114 | W983 G990 R991 P1166 E1168 Q1172 L1173 | W983-P1170 HydrophobicContact CH2-CB 3.98Å; W983-P1170 HydrophobicContact CH2-CG 3.94Å; W983-P1170 HydrophobicContact CZ3-CB 4.17Å; W983-P1170 HydrophobicContact CZ3-CG 4.34Å; G990-P1170 VanDerWaalsContact O-CG 3.28Å; G990-P1170 WeakPolarHBondContact O-CG 3.41Å; R991-P1170 HydrophobicContact CG-CG 3.99Å; P1166-P1170 WeakPolarHBondContact O-CA 3.31Å; E1168-P1170 WeakPolarHBondContact O-CD 3.18Å; P1170-Q1172 PolarHBondContact O-N 3.35Å; P1170-L1173 VanDerWaalsContact O-CB 3.29Å; P1170-L1173 WeakPolarHBondContact O-CB 3.25Å; P1170-L1173 PolarHBondContact O-N 3.34Å |
| 1171 | E | 82.5 | Confident | 76.6 | Confident | 92 Ų | 92 | 85.4 Ų | 85.4 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -64 | -29 | 172.6 | -72.7 | 172 | -152.7 | 0 | 0 | 112.8 | W983 R991 E1169 L1173 F1174 | W983-E1171 HydrophobicContact CH2-CG 4.32Å; W983-E1171 HydrophobicContact CZ2-CG 3.78Å; R991-E1171 IonicContact CZ-OE1 3.71Å; R991-E1171 IonicContact NH2-OE1 2.85Å; R991-E1171 PolarHBondContact NH2-OE1 2.92Å; E1169-E1171 PolarHBondContact O-N 2.82Å; E1171-L1173 PolarHBondContact O-N 2.76Å; E1171-F1174 PolarHBondContact O-N 2.88Å |
| 1172 | Q | 77.4 | Confident | 76.9 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -64.3 | -26.4 | 175.8 | -65.5 | -169.6 | 1.8 | 0 | 0 | 112.2 | E1169 P1170 F1174 I1175 | E1169-Q1172 HydrophobicContact CB-CG 4.07Å; E1169-Q1172 WeakPolarHBondContact O-CB 3.34Å; E1169-Q1172 PolarHBondContact O-N 3.43Å; E1169-Q1172 PolarHBondContact OE2-NE2 3.22Å; P1170-Q1172 PolarHBondContact O-N 3.35Å; Q1172-F1174 PolarHBondContact O-N 2.77Å; Q1172-I1175 PolarHBondContact O-N 3.46Å |
| 1173 | L | 78.6 | Confident | 76.6 | Confident | 146 Ų | 146 | 92.6 Ų | 92.6 | 76% | 0.764 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -63.6 | -21.9 | 178.5 | -156.3 | 85 | 0 | 0 | 0 | 113 | P1170 E1171 | P1170-L1173 VanDerWaalsContact O-CB 3.29Å; P1170-L1173 WeakPolarHBondContact O-CB 3.25Å; P1170-L1173 PolarHBondContact O-N 3.34Å; E1171-L1173 PolarHBondContact O-N 2.76Å |
| 1174 | F | 75.3 | Confident | 75.8 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 34% | 0.342 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -91.4 | -9 | 176.9 | -59.4 | -72.4 | 0 | 0 | 0 | 113.4 | K979 W983 E1171 Q1172 | K979-F1174 HydrophobicContact CG-CE1 4.39Å; W983-F1174 HydrophobicContact CB-CZ 4.22Å; W983-F1174 AromaticContact CD2-CE2 3.57Å; W983-F1174 HydrophobicContact CD2-CE2 3.57Å; W983-F1174 AromaticContact CD2-CZ 3.73Å; W983-F1174 HydrophobicContact CD2-CZ 3.73Å; W983-F1174 AromaticContact CE2-CE2 3.47Å; W983-F1174 VanDerWaalsContact CE2-CE2 3.47Å; W983-F1174 AromaticContact CE3-CE2 3.97Å; W983-F1174 HydrophobicContact CE3-CE2 3.97Å; W983-F1174 HydrophobicContact CE3-CZ 4.1Å; W983-F1174 AromaticContact CG-CE2 3.99Å; W983-F1174 HydrophobicContact CG-CE2 3.99Å; W983-F1174 AromaticContact CG-CZ 3.79Å; W983-F1174 HydrophobicContact CG-CZ 3.79Å; W983-F1174 HydrophobicContact CH2-CE2 4.17Å; W983-F1174 AromaticContact CZ2-CE2 3.81Å; W983-F1174 HydrophobicContact CZ2-CE2 3.81Å; W983-F1174 HydrophobicContact CZ3-CE2 4.25Å; W983-F1174 AromaticContact NE1-CE2 3.8Å; E1171-F1174 PolarHBondContact O-N 2.88Å; Q1172-F1174 PolarHBondContact O-N 2.77Å |
| 1175 | I | 73.1 | Confident | 74.8 | Confident | 112 Ų | 112 | 99.1 Ų | 99.1 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | trans | -107.2 | 99.5 | -176.4 | -56.1 | 171 | 0 | 0 | 0 | 108 | Q1172 T1177 | Q1172-I1175 PolarHBondContact O-N 3.46Å; I1175-T1177 PolarHBondContact O-N 3.28Å | ||
| 1176 | V | 72.7 | Confident | 73.6 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | trans | -74.4 | 119.1 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | E1180 I1181 | V1176-E1180 HydrophobicContact CG1-CB 4.34Å; V1176-I1181 HydrophobicContact CG1-CD1 3.98Å; V1176-I1181 HydrophobicContact CG1-CG1 3.69Å | ||
| 1177 | T | 71.8 | Confident | 72.4 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | trans | -83.5 | 151.1 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | I1175 D1179 E1180 | I1175-T1177 PolarHBondContact O-N 3.28Å; T1177-D1179 PolarHBondContact O-N 3.42Å; T1177-D1179 VanDerWaalsContact O-N 3.16Å; T1177-E1180 WeakPolarHBondContact O-CB 3.4Å; T1177-E1180 PolarHBondContact O-N 3.07Å | ||
| 1178 | D | 69.2 | Low | 71.6 | Confident | 126 Ų | 126 | 104.3 Ų | 104.3 | 67% | 0.674 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -60.6 | -26.1 | -179.8 | -76.5 | -26.7 | 0 | 0 | 0 | 112 | E1180 I1181 | D1178-E1180 VanDerWaalsContact C-N 3.27Å; D1178-E1180 PolarHBondContact O-N 3.44Å; D1178-I1181 PolarHBondContact O-N 2.81Å |
| 1179 | D | 70 | Confident | 70.5 | Confident | 161 Ų | 161 | 109.1 Ų | 109.1 | 86% | 0.861 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -68.9 | -22.1 | 176 | -63.8 | -22.7 | 0 | 0 | 0 | 113.1 | T1177 | T1177-D1179 PolarHBondContact O-N 3.42Å; T1177-D1179 VanDerWaalsContact O-N 3.16Å |
| 1180 | E | 76 | Confident | 69.8 | Low | 128 Ų | 128 | 114.5 Ų | 114.5 | 60% | 0.598 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -83.5 | -21.1 | 179 | -164.6 | 178.3 | 177.6 | 0 | 0 | 112.2 | V1176 T1177 D1178 T1182 | V1176-E1180 HydrophobicContact CG1-CB 4.34Å; T1177-E1180 WeakPolarHBondContact O-CB 3.4Å; T1177-E1180 PolarHBondContact O-N 3.07Å; D1178-E1180 VanDerWaalsContact C-N 3.27Å; D1178-E1180 PolarHBondContact O-N 3.44Å; E1180-T1182 PolarHBondContact O-N 2.8Å |
| 1181 | I | 68.6 | Low | 69.1 | Low | 89 Ų | 89 | 119.1 Ų | 119.1 | 46% | 0.456 | 60% | 0.603 | S | S | . | * | trans | -86.2 | 103.2 | -177.8 | -55.6 | 173.9 | 0 | 0 | 0 | 109.4 | V1176 D1178 V1183 | V1176-I1181 HydrophobicContact CG1-CD1 3.98Å; V1176-I1181 HydrophobicContact CG1-CG1 3.69Å; D1178-I1181 PolarHBondContact O-N 2.81Å; I1181-V1183 PolarHBondContact O-N 2.87Å | ||
| 1182 | T | 70.6 | Confident | 68.1 | Low | 141 Ų | 141 | 118.5 Ų | 118.5 | 87% | 0.865 | 60% | 0.602 | S | S | * | * | trans | -74.8 | -9.6 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | E1180 | E1180-T1182 PolarHBondContact O-N 2.8Š| ||
| 1183 | V | 67.8 | Low | 67.7 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -100.7 | 132.3 | -173.1 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | I1181 K1185 | I1181-V1183 PolarHBondContact O-N 2.87Å; V1183-K1185 PolarHBondContact O-N 2.83Å |
| 1184 | E | 59 | Low | 67.3 | Low | 187 Ų | 187 | 114.8 Ų | 114.8 | 87% | 0.874 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.1 | 175.4 | -64 | -176.3 | 173.7 | 0 | 0 | 111.6 | Y1186 | E1184-Y1186 PolarHBondContact O-N 3.39Š|
| 1185 | K | 61.8 | Low | 67.1 | Low | 148 Ų | 148 | 114.1 Ų | 114.1 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 118.6 | -175.4 | -164.7 | 170.5 | -168.6 | 160.3 | 0 | 111.6 | V1183 F1187 | V1183-K1185 PolarHBondContact O-N 2.83Å; K1185-F1187 HydrophobicContact CB-CE2 4.31Å; K1185-F1187 HydrophobicContact CB-CZ 4.17Å; K1185-F1187 HydrophobicContact CD-CE1 4.22Å; K1185-F1187 HydrophobicContact CD-CZ 4.17Å; K1185-F1187 HydrophobicContact CG-CE1 4.36Å; K1185-F1187 HydrophobicContact CG-CZ 4.25Å; K1185-F1187 VanDerWaalsContact O-CD2 3.23Å; K1185-F1187 WeakPolarHBondContact O-CD2 3.37Å; K1185-F1187 VanDerWaalsContact O-CE2 3.26Å; K1185-F1187 WeakPolarHBondContact O-CE2 3.27Å; K1185-F1187 PolarHBondContact O-N 3.05Å |
| 1186 | Y | 57.5 | Low | 66.9 | Low | 199 Ų | 199 | 114.3 Ų | 114.3 | 78% | 0.78 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 120.9 | 175.4 | -178.6 | -98.8 | 0 | 0 | 0 | 111.8 | E1184 | E1184-Y1186 PolarHBondContact O-N 3.39Š|
| 1187 | F | 52 | Low | 66.5 | Low | 82 Ų | 82 | 113.7 Ų | 113.7 | 36% | 0.36 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -100.6 | 132.6 | 177.8 | -60.6 | -79.4 | 0 | 0 | 0 | 110.5 | K1185 L1192 I1195 | K1185-F1187 HydrophobicContact CB-CE2 4.31Å; K1185-F1187 HydrophobicContact CB-CZ 4.17Å; K1185-F1187 HydrophobicContact CD-CE1 4.22Å; K1185-F1187 HydrophobicContact CD-CZ 4.17Å; K1185-F1187 HydrophobicContact CG-CE1 4.36Å; K1185-F1187 HydrophobicContact CG-CZ 4.25Å; K1185-F1187 VanDerWaalsContact O-CD2 3.23Å; K1185-F1187 WeakPolarHBondContact O-CD2 3.37Å; K1185-F1187 VanDerWaalsContact O-CE2 3.26Å; K1185-F1187 WeakPolarHBondContact O-CE2 3.27Å; K1185-F1187 PolarHBondContact O-N 3.05Å; F1187-L1192 HydrophobicContact CB-CD1 3.89Å; F1187-L1192 HydrophobicContact CB-CG 3.78Å; F1187-I1195 HydrophobicContact CD1-CD1 3.22Å; F1187-I1195 HydrophobicContact CE1-CD1 3.3Å; F1187-I1195 HydrophobicContact CG-CD1 4.09Å; F1187-I1195 HydrophobicContact CZ-CD1 4.22Å |
| 1188 | S | 67.4 | Low | 66.3 | Low | 49 Ų | 49 | 116.4 Ų | 116.4 | 34% | 0.343 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 156.4 | 170.6 | 69.7 | 0 | 0 | 0 | 0 | 110.7 | E1190 K1191 L1192 | S1188-E1190 VanDerWaalsContact C-N 3.28Å; S1188-E1190 PolarHBondContact O-N 3.01Å; S1188-K1191 CarbonylContact O-C 3.51Å; S1188-K1191 PolarHBondContact O-N 3.29Å; S1188-K1191 VanDerWaalsContact OG-CB 3.29Å; S1188-K1191 WeakPolarHBondContact OG-CB 3.32Å; S1188-K1191 PolarHBondContact OG-N 3.28Å; S1188-K1191 VanDerWaalsContact OG-N 3.17Å; S1188-L1192 WeakPolarHBondContact O-CB 3.45Å; S1188-L1192 PolarHBondContact O-N 2.83Å |
| 1189 | P | 64.8 | Low | 66.3 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -55.1 | -39.6 | 177.4 | -25.3 | 33.4 | 0 | 0 | 0 | 113.5 | L1192 A1193 | P1189-L1192 PolarHBondContact O-N 3.05Å; P1189-A1193 WeakPolarHBondContact O-CB 3.33Å; P1189-A1193 PolarHBondContact O-N 2.93Å |
| 1190 | E | 68.4 | Low | 66.3 | Low | 167 Ų | 167 | 116.3 Ų | 116.3 | 78% | 0.78 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 173.3 | -85.9 | -178.7 | 150.6 | 0 | 0 | 112.4 | S1188 A1193 E1194 | S1188-E1190 VanDerWaalsContact C-N 3.28Å; S1188-E1190 PolarHBondContact O-N 3.01Å; E1190-A1193 PolarHBondContact O-N 2.62Å; E1190-E1194 WeakPolarHBondContact O-CB 3.11Å; E1190-E1194 PolarHBondContact O-N 2.91Å |
| 1191 | K | 67.7 | Low | 66 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 52% | 0.522 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74 | -30.8 | -179.9 | -155.3 | 152.9 | -171 | 169 | 0 | 111.7 | S1188 E1194 I1195 | S1188-K1191 CarbonylContact O-C 3.51Å; S1188-K1191 PolarHBondContact O-N 3.29Å; S1188-K1191 VanDerWaalsContact OG-CB 3.29Å; S1188-K1191 WeakPolarHBondContact OG-CB 3.32Å; S1188-K1191 PolarHBondContact OG-N 3.28Å; S1188-K1191 VanDerWaalsContact OG-N 3.17Å; K1191-E1194 PolarHBondContact O-N 3.41Å; K1191-I1195 HydrophobicContact CG-CD1 4.21Å; K1191-I1195 WeakPolarHBondContact O-CB 3.44Å; K1191-I1195 WeakPolarHBondContact O-CD1 3.49Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.07Å; K1191-I1195 PolarHBondContact O-N 3.37Å |
| 1192 | L | 60.5 | Low | 65.8 | Low | 79 Ų | 79 | 113 Ų | 113 | 41% | 0.414 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -43.8 | 169 | -109.2 | 151.8 | 0 | 0 | 0 | 110.9 | F1187 S1188 P1189 Q1196 | F1187-L1192 HydrophobicContact CB-CD1 3.89Å; F1187-L1192 HydrophobicContact CB-CG 3.78Å; S1188-L1192 WeakPolarHBondContact O-CB 3.45Å; S1188-L1192 PolarHBondContact O-N 2.83Å; P1189-L1192 PolarHBondContact O-N 3.05Å; L1192-Q1196 VanDerWaalsContact O-CB 3.28Å; L1192-Q1196 WeakPolarHBondContact O-CB 3.32Å; L1192-Q1196 VanDerWaalsContact O-CG 3.3Å; L1192-Q1196 WeakPolarHBondContact O-CG 3.35Å; L1192-Q1196 PolarHBondContact O-N 3.07Å |
| 1193 | A | 68.8 | Low | 65.5 | Low | 53 Ų | 53 | 111.7 Ų | 111.7 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1189 E1190 Q1196 S1197 | P1189-A1193 WeakPolarHBondContact O-CB 3.33Å; P1189-A1193 PolarHBondContact O-N 2.93Å; E1190-A1193 PolarHBondContact O-N 2.62Å; A1193-Q1196 PolarHBondContact O-N 2.97Å; A1193-S1197 VanDerWaalsContact O-CB 3.24Å; A1193-S1197 WeakPolarHBondContact O-CB 3.45Å; A1193-S1197 PolarHBondContact O-N 2.85Å |
| 1194 | E | 69.6 | Low | 65.3 | Low | 114 Ų | 114 | 112.2 Ų | 112.2 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.5 | -39.1 | 176.5 | -160.9 | -176.5 | -164.2 | 0 | 0 | 111.9 | E1190 K1191 S1197 K1198 | E1190-E1194 WeakPolarHBondContact O-CB 3.11Å; E1190-E1194 PolarHBondContact O-N 2.91Å; K1191-E1194 PolarHBondContact O-N 3.41Å; E1194-S1197 PolarHBondContact O-N 2.86Å; E1194-K1198 WeakPolarHBondContact O-CB 3.33Å; E1194-K1198 PolarHBondContact O-N 3.25Å |
| 1195 | I | 72.3 | Confident | 65.4 | Low | 64 Ų | 64 | 110.8 Ų | 110.8 | 33% | 0.328 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 172.1 | -72.2 | 164 | 0 | 0 | 0 | 110.2 | F1187 K1191 S1197 K1198 R1199 | F1187-I1195 HydrophobicContact CD1-CD1 3.22Å; F1187-I1195 HydrophobicContact CE1-CD1 3.3Å; F1187-I1195 HydrophobicContact CG-CD1 4.09Å; F1187-I1195 HydrophobicContact CZ-CD1 4.22Å; K1191-I1195 HydrophobicContact CG-CD1 4.21Å; K1191-I1195 WeakPolarHBondContact O-CB 3.44Å; K1191-I1195 WeakPolarHBondContact O-CD1 3.49Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.07Å; K1191-I1195 PolarHBondContact O-N 3.37Å; I1195-S1197 VanDerWaalsContact C-N 3.35Å; I1195-K1198 PolarHBondContact O-N 3.45Å; I1195-R1199 VanDerWaalsContact O-CB 3.22Å; I1195-R1199 WeakPolarHBondContact O-CB 3.3Å; I1195-R1199 PolarHBondContact O-N 3.49Å |
| 1196 | Q | 67.8 | Low | 65 | Low | 115 Ų | 115 | 112.1 Ų | 112.1 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.4 | -80.7 | 178.9 | -10.7 | 0 | 0 | 111.3 | L1192 A1193 R1199 L1200 | L1192-Q1196 VanDerWaalsContact O-CB 3.28Å; L1192-Q1196 WeakPolarHBondContact O-CB 3.32Å; L1192-Q1196 VanDerWaalsContact O-CG 3.3Å; L1192-Q1196 WeakPolarHBondContact O-CG 3.35Å; L1192-Q1196 PolarHBondContact O-N 3.07Å; A1193-Q1196 PolarHBondContact O-N 2.97Å; Q1196-R1199 PolarHBondContact O-N 3.18Å; Q1196-L1200 VanDerWaalsContact O-CB 3.28Å; Q1196-L1200 WeakPolarHBondContact O-CB 3.49Å; Q1196-L1200 WeakPolarHBondContact O-CD1 3.46Å; Q1196-L1200 WeakPolarHBondContact O-CG 2.97Å; Q1196-L1200 PolarHBondContact O-N 2.93Å |
| 1197 | S | 64.8 | Low | 64.7 | Low | 77 Ų | 77 | 112 Ų | 112 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | A1193 E1194 I1195 A1201 | A1193-S1197 VanDerWaalsContact O-CB 3.24Å; A1193-S1197 WeakPolarHBondContact O-CB 3.45Å; A1193-S1197 PolarHBondContact O-N 2.85Å; E1194-S1197 PolarHBondContact O-N 2.86Å; I1195-S1197 VanDerWaalsContact C-N 3.35Å; S1197-A1201 VanDerWaalsContact O-CB 3.32Å; S1197-A1201 WeakPolarHBondContact O-CB 3.49Å; S1197-A1201 PolarHBondContact O-N 3.01Å |
| 1198 | K | 68.7 | Low | 65.1 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 58% | 0.578 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.4 | -40.1 | 172.9 | -88.1 | -176.3 | 175.6 | 173.9 | 0 | 112.5 | E1194 I1195 A1201 D1202 | E1194-K1198 WeakPolarHBondContact O-CB 3.33Å; E1194-K1198 PolarHBondContact O-N 3.25Å; I1195-K1198 PolarHBondContact O-N 3.45Å; K1198-A1201 CarbonylContact O-C 3.43Å; K1198-A1201 PolarHBondContact O-N 2.94Å; K1198-D1202 WeakPolarHBondContact O-CB 3.42Å; K1198-D1202 PolarHBondContact O-N 2.87Å |
| 1199 | R | 68 | Low | 64.5 | Low | 172 Ų | 172 | 116.9 Ų | 116.9 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.4 | -42 | 178.2 | -147.6 | -177.9 | -161.4 | 173.5 | 3.8 | 110.8 | I1195 Q1196 D1202 E1203 | I1195-R1199 VanDerWaalsContact O-CB 3.22Å; I1195-R1199 WeakPolarHBondContact O-CB 3.3Å; I1195-R1199 PolarHBondContact O-N 3.49Å; Q1196-R1199 PolarHBondContact O-N 3.18Å; R1199-D1202 PolarHBondContact O-N 2.99Å; R1199-E1203 VanDerWaalsContact O-CB 3.23Å; R1199-E1203 WeakPolarHBondContact O-CB 3.38Å; R1199-E1203 VanDerWaalsContact O-CG 3.3Å; R1199-E1203 WeakPolarHBondContact O-CG 3.34Å; R1199-E1203 PolarHBondContact O-N 2.92Å |
| 1200 | L | 69.7 | Low | 64 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.9 | -43.4 | 170.2 | -85.5 | 155.9 | 0 | 0 | 0 | 111 | Q1196 E1203 E1204 | Q1196-L1200 VanDerWaalsContact O-CB 3.28Å; Q1196-L1200 WeakPolarHBondContact O-CB 3.49Å; Q1196-L1200 WeakPolarHBondContact O-CD1 3.46Å; Q1196-L1200 WeakPolarHBondContact O-CG 2.97Å; Q1196-L1200 PolarHBondContact O-N 2.93Å; L1200-E1203 PolarHBondContact O-N 3.31Å; L1200-E1204 WeakPolarHBondContact O-CB 3.43Å; L1200-E1204 PolarHBondContact O-N 2.84Å |
| 1201 | A | 69.4 | Low | 63.3 | Low | 52 Ų | 52 | 118.9 Ų | 118.9 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1197 K1198 E1204 R1205 | S1197-A1201 VanDerWaalsContact O-CB 3.32Å; S1197-A1201 WeakPolarHBondContact O-CB 3.49Å; S1197-A1201 PolarHBondContact O-N 3.01Å; K1198-A1201 CarbonylContact O-C 3.43Å; K1198-A1201 PolarHBondContact O-N 2.94Å; A1201-E1204 PolarHBondContact O-N 3.16Å; A1201-R1205 VanDerWaalsContact O-CB 3.28Å; A1201-R1205 WeakPolarHBondContact O-CB 3.48Å; A1201-R1205 PolarHBondContact O-N 2.87Å |
| 1202 | D | 65.6 | Low | 62.1 | Low | 94 Ų | 94 | 119.9 Ų | 119.9 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.9 | -36.1 | 176.5 | -77.3 | -24 | 0 | 0 | 0 | 111.8 | K1198 R1199 R1205 R1206 | K1198-D1202 WeakPolarHBondContact O-CB 3.42Å; K1198-D1202 PolarHBondContact O-N 2.87Å; R1199-D1202 PolarHBondContact O-N 2.99Å; D1202-R1205 PolarHBondContact O-N 2.56Å; D1202-R1206 WeakPolarHBondContact O-CB 3.34Å; D1202-R1206 WeakPolarHBondContact O-CG 3.49Å; D1202-R1206 PolarHBondContact O-N 3.03Å |
| 1203 | E | 65.1 | Low | 61.7 | Low | 115 Ų | 115 | 119.3 Ų | 119.3 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -41.1 | 171.1 | -80.3 | 177.2 | -174.9 | 0 | 0 | 110.9 | R1199 L1200 R1206 R1207 | R1199-E1203 VanDerWaalsContact O-CB 3.23Å; R1199-E1203 WeakPolarHBondContact O-CB 3.38Å; R1199-E1203 VanDerWaalsContact O-CG 3.3Å; R1199-E1203 WeakPolarHBondContact O-CG 3.34Å; R1199-E1203 PolarHBondContact O-N 2.92Å; L1200-E1203 PolarHBondContact O-N 3.31Å; E1203-R1206 PolarHBondContact O-N 3.33Å; E1203-R1207 WeakPolarHBondContact O-CB 3.14Å; E1203-R1207 PolarHBondContact O-N 3.33Å |
| 1204 | E | 62.6 | Low | 60.9 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.8 | -35.4 | 174.8 | -164.4 | 164.7 | -160.3 | 0 | 0 | 111.7 | L1200 A1201 K1208 | L1200-E1204 WeakPolarHBondContact O-CB 3.43Å; L1200-E1204 PolarHBondContact O-N 2.84Å; A1201-E1204 PolarHBondContact O-N 3.16Å; E1204-K1208 WeakPolarHBondContact O-CG 3.33Å; E1204-K1208 PolarHBondContact O-N 2.8Å |
| 1205 | R | 60.7 | Low | 60.2 | Low | 156 Ų | 156 | 131.8 Ų | 131.8 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -49.8 | 170.5 | -175.1 | -178.1 | 179.4 | 170.2 | 7.4 | 112.1 | A1201 D1202 R1207 K1208 E1209 | A1201-R1205 VanDerWaalsContact O-CB 3.28Å; A1201-R1205 WeakPolarHBondContact O-CB 3.48Å; A1201-R1205 PolarHBondContact O-N 2.87Å; D1202-R1205 PolarHBondContact O-N 2.56Å; R1205-R1207 VanDerWaalsContact C-N 3.27Å; R1205-R1207 PolarHBondContact O-N 2.81Å; R1205-K1208 PolarHBondContact O-N 2.64Å; R1205-K1208 VanDerWaalsContact O-N 3.13Å; R1205-E1209 HydrophobicContact CG-CG 4.43Å; R1205-E1209 WeakPolarHBondContact CG-OE1 3.28Å; R1205-E1209 IonicContact CZ-OE1 2.79Å; R1205-E1209 IonicContact NE-OE1 3.18Å; R1205-E1209 PolarHBondContact NE-OE1 3.27Å; R1205-E1209 IonicContact NH2-OE1 2.92Å; R1205-E1209 WeakPolarHBondContact O-CB 3.44Å; R1205-E1209 WeakPolarHBondContact O-CG 3.23Å; R1205-E1209 PolarHBondContact O-N 2.77Å |
| 1206 | R | 52.9 | Low | 59.3 | Low | 177 Ų | 177 | 134.8 Ų | 134.8 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.1 | -31.3 | 175.4 | -81.1 | -173.9 | 175.4 | 177 | 0.5 | 112.2 | D1202 E1203 K1210 | D1202-R1206 WeakPolarHBondContact O-CB 3.34Å; D1202-R1206 WeakPolarHBondContact O-CG 3.49Å; D1202-R1206 PolarHBondContact O-N 3.03Å; E1203-R1206 PolarHBondContact O-N 3.33Å; R1206-K1210 VanDerWaalsContact O-CB 3.26Å; R1206-K1210 WeakPolarHBondContact O-CB 3.4Å; R1206-K1210 VanDerWaalsContact O-CG 3.24Å; R1206-K1210 WeakPolarHBondContact O-CG 3.15Å; R1206-K1210 PolarHBondContact O-N 2.91Å |
| 1207 | R | 53 | Low | 58.8 | Low | 196 Ų | 196 | 136.7 Ų | 136.7 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.4 | -42.9 | 172.5 | -125.9 | 179.9 | 176.2 | 148.2 | -1.5 | 111.1 | E1203 R1205 L1211 | E1203-R1207 WeakPolarHBondContact O-CB 3.14Å; E1203-R1207 PolarHBondContact O-N 3.33Å; R1205-R1207 VanDerWaalsContact C-N 3.27Å; R1205-R1207 PolarHBondContact O-N 2.81Å; R1207-L1211 VanDerWaalsContact O-CD1 3.31Å; R1207-L1211 WeakPolarHBondContact O-CD1 3.28Å; R1207-L1211 WeakPolarHBondContact O-CG 3.49Å; R1207-L1211 PolarHBondContact O-N 2.99Å |
| 1208 | K | 58.9 | Low | 58.6 | Low | 137 Ų | 137 | 133.9 Ų | 133.9 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.4 | -44.6 | 174.4 | -75.5 | 174.8 | -178.5 | 171.7 | 0 | 112.2 | E1204 R1205 K1210 L1211 D1212 | E1204-K1208 WeakPolarHBondContact O-CG 3.33Å; E1204-K1208 PolarHBondContact O-N 2.8Å; R1205-K1208 PolarHBondContact O-N 2.64Å; R1205-K1208 VanDerWaalsContact O-N 3.13Å; K1208-K1210 PolarHBondContact O-N 3.49Å; K1208-L1211 PolarHBondContact O-N 3.22Å; K1208-L1211 VanDerWaalsContact O-N 3.13Å; K1208-D1212 PolarHBondContact O-N 3.09Å; K1208-D1212 VanDerWaalsContact O-N 3.15Å |
| 1209 | E | 55.8 | Low | 58.2 | Low | 97 Ų | 97 | 131.2 Ų | 131.2 | 45% | 0.453 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65 | -35.8 | 176.6 | -71.9 | 170.5 | 179.9 | 0 | 0 | 112.1 | R1205 L1211 D1212 | R1205-E1209 HydrophobicContact CG-CG 4.43Å; R1205-E1209 WeakPolarHBondContact CG-OE1 3.28Å; R1205-E1209 IonicContact CZ-OE1 2.79Å; R1205-E1209 IonicContact NE-OE1 3.18Å; R1205-E1209 PolarHBondContact NE-OE1 3.27Å; R1205-E1209 IonicContact NH2-OE1 2.92Å; R1205-E1209 WeakPolarHBondContact O-CB 3.44Å; R1205-E1209 WeakPolarHBondContact O-CG 3.23Å; R1205-E1209 PolarHBondContact O-N 2.77Å; E1209-L1211 VanDerWaalsContact C-N 3.31Å; E1209-L1211 PolarHBondContact O-N 2.87Å; E1209-D1212 CarbonylContact O-C 3.53Å |
| 1210 | K | 53.1 | Low | 57.6 | Low | 172 Ų | 172 | 129.5 Ų | 129.5 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.5 | -22.6 | 172.8 | -79.1 | 179.8 | 177.7 | -175 | 0 | 114 | R1206 K1208 | R1206-K1210 VanDerWaalsContact O-CB 3.26Å; R1206-K1210 WeakPolarHBondContact O-CB 3.4Å; R1206-K1210 VanDerWaalsContact O-CG 3.24Å; R1206-K1210 WeakPolarHBondContact O-CG 3.15Å; R1206-K1210 PolarHBondContact O-N 2.91Å; K1208-K1210 PolarHBondContact O-N 3.49Å |
| 1211 | L | 54.9 | Low | 57.3 | Low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82.3 | -31.5 | 176.8 | -80.8 | 155.7 | 0 | 0 | 0 | 111.7 | R1207 K1208 E1209 | R1207-L1211 VanDerWaalsContact O-CD1 3.31Å; R1207-L1211 WeakPolarHBondContact O-CD1 3.28Å; R1207-L1211 WeakPolarHBondContact O-CG 3.49Å; R1207-L1211 PolarHBondContact O-N 2.99Å; K1208-L1211 PolarHBondContact O-N 3.22Å; K1208-L1211 VanDerWaalsContact O-N 3.13Å; E1209-L1211 VanDerWaalsContact C-N 3.31Å; E1209-L1211 PolarHBondContact O-N 2.87Å |
| 1212 | D | 42.9 | Very low | 56.9 | Low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -107.9 | 70.3 | 178.4 | -89.5 | -22.7 | 0 | 0 | 0 | 112.1 | K1208 E1209 | K1208-D1212 PolarHBondContact O-N 3.09Å; K1208-D1212 VanDerWaalsContact O-N 3.15Å; E1209-D1212 CarbonylContact O-C 3.53Å |
| 1213 | N | 50.4 | Low | 56.4 | Low | 67 Ų | 67 | 137.8 Ų | 137.8 | 36% | 0.358 | 62% | 0.617 | S | S | . | * | trans | -128.2 | 44.9 | 179.7 | -129.3 | 6.7 | 0 | 0 | 0 | 113.3 | R1215 E1216 K1217 | N1213-R1215 PolarHBondContact O-N 2.78Å; N1213-E1216 PolarHBondContact ND2-OE2 3.39Å; N1213-K1217 PolarHBondContact O-N 3.26Å | ||
| 1214 | W | 53 | Low | 55.9 | Low | 219 Ų | 219 | 135.4 Ų | 135.4 | 83% | 0.83 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.8 | -23.9 | 177.8 | 83.6 | -86.2 | 0 | 0 | 0 | 113.1 | G1218 | W1214-G1218 PolarHBondContact O-N 3.08Å |
| 1215 | R | 54 | Low | 55.6 | Low | 209 Ų | 209 | 131.4 Ų | 131.4 | 79% | 0.789 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73 | -42.8 | -179.2 | -170.2 | -179.9 | 174.8 | 118.6 | -0.4 | 113 | N1213 L1219 | N1213-R1215 PolarHBondContact O-N 2.78Å; R1215-L1219 PolarHBondContact O-N 3.19Å |
| 1216 | E | 54.2 | Low | 55.2 | Low | 128 Ų | 128 | 127.7 Ų | 127.7 | 60% | 0.598 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.6 | -44.6 | 173.9 | -86.2 | -177.6 | 157.4 | 0 | 0 | 110.9 | N1213 G1218 L1219 E1220 | N1213-E1216 PolarHBondContact ND2-OE2 3.39Å; E1216-G1218 PolarHBondContact O-N 3.21Å; E1216-L1219 PolarHBondContact O-N 2.91Å; E1216-E1220 WeakPolarHBondContact O-CB 3.36Å; E1216-E1220 PolarHBondContact O-N 3.3Å; E1216-E1220 VanDerWaalsContact O-N 3.11Å |
| 1217 | K | 56.4 | Low | 55.4 | Low | 154 Ų | 154 | 125.6 Ų | 125.6 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.1 | -44.2 | 175.1 | -103.6 | -175.2 | 173.2 | -177.1 | 0 | 113 | N1213 L1219 E1220 E1221 | N1213-K1217 PolarHBondContact O-N 3.26Å; K1217-L1219 PolarHBondContact O-N 2.81Å; K1217-E1220 PolarHBondContact O-N 3.33Å; K1217-E1221 VanDerWaalsContact O-CB 3.25Å; K1217-E1221 WeakPolarHBondContact O-CB 3.14Å; K1217-E1221 PolarHBondContact O-N 2.86Å |
| 1218 | G | 60.4 | Low | 55.6 | Low | 19 Ų | 19 | 123.2 Ų | 123.2 | 20% | 0.196 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -67.7 | -32.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | W1214 E1216 M1222 | W1214-G1218 PolarHBondContact O-N 3.08Å; E1216-G1218 PolarHBondContact O-N 3.21Å; G1218-M1222 WeakPolarHBondContact O-CB 3.47Å; G1218-M1222 PolarHBondContact O-N 3.13Å; G1218-M1222 VanDerWaalsContact O-N 3.15Å |
| 1219 | L | 60.1 | Low | 55.1 | Low | 76 Ų | 76 | 122.8 Ų | 122.8 | 40% | 0.398 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -39.3 | 176.3 | -162.8 | 79.7 | 0 | 0 | 0 | 111.5 | R1215 E1216 K1217 M1223 G1225 L1227 | R1215-L1219 PolarHBondContact O-N 3.19Å; E1216-L1219 PolarHBondContact O-N 2.91Å; K1217-L1219 PolarHBondContact O-N 2.81Å; L1219-M1223 HydrophobicContact CD1-CE 3.52Å; L1219-M1223 HydrophobicContact CG-CE 4.4Å; L1219-M1223 PolarHBondContact O-N 2.79Å; L1219-M1223 VanDerWaalsContact O-N 3.15Å; L1219-G1225 PolarHBondContact O-N 3.4Å; L1219-L1227 HydrophobicContact CD1-CD1 4.16Å |
| 1220 | E | 55.4 | Low | 54.9 | Low | 137 Ų | 137 | 120.7 Ų | 120.7 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.4 | -38.6 | 178.4 | -155.5 | 155.9 | -154.3 | 0 | 0 | 111.7 | E1216 K1217 G1224 | E1216-E1220 WeakPolarHBondContact O-CB 3.36Å; E1216-E1220 PolarHBondContact O-N 3.3Å; E1216-E1220 VanDerWaalsContact O-N 3.11Å; K1217-E1220 PolarHBondContact O-N 3.33Å; E1220-G1224 WeakPolarHBondContact O-CA 3.5Å; E1220-G1224 PolarHBondContact O-N 2.83Å |
| 1221 | E | 64.6 | Low | 55 | Low | 173 Ų | 173 | 120.7 Ų | 120.7 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.5 | -30.6 | -178.8 | -160.4 | 169.9 | -152.8 | 0 | 0 | 113.6 | K1217 | K1217-E1221 VanDerWaalsContact O-CB 3.25Å; K1217-E1221 WeakPolarHBondContact O-CB 3.14Å; K1217-E1221 PolarHBondContact O-N 2.86Å |
| 1222 | M | 61.5 | Low | 55 | Low | 164 Ų | 164 | 116.9 Ų | 116.9 | 81% | 0.808 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -95.5 | -29.2 | -179.3 | -73.1 | -160.2 | -78.9 | 0 | 0 | 115.4 | G1218 | G1218-M1222 WeakPolarHBondContact O-CB 3.47Å; G1218-M1222 PolarHBondContact O-N 3.13Å; G1218-M1222 VanDerWaalsContact O-N 3.15Å |
| 1223 | M | 53.6 | Low | 55.7 | Low | 96 Ų | 96 | 112.6 Ų | 112.6 | 47% | 0.473 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -131.8 | 12.5 | -174.9 | -63.6 | -169.7 | -59.5 | 0 | 0 | 113.7 | L1219 G1225 L1227 | L1219-M1223 HydrophobicContact CD1-CE 3.52Å; L1219-M1223 HydrophobicContact CG-CE 4.4Å; L1219-M1223 PolarHBondContact O-N 2.79Å; L1219-M1223 VanDerWaalsContact O-N 3.15Å; M1223-G1225 PolarHBondContact O-N 3.35Å; M1223-L1227 HydrophobicContact CE-CD1 3.49Å; M1223-L1227 VanDerWaalsContact CE-CD1 3.49Å |
| 1224 | G | 54.8 | Low | 56.1 | Low | 64 Ų | 64 | 115 Ų | 115 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 22.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1220 | E1220-G1224 WeakPolarHBondContact O-CA 3.5Å; E1220-G1224 PolarHBondContact O-N 2.83Å |
| 1225 | G | 57.7 | Low | 56.6 | Low | 37 Ų | 37 | 105.9 Ų | 105.9 | 38% | 0.381 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 3.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L1219 M1223 | L1219-G1225 PolarHBondContact O-N 3.4Å; M1223-G1225 PolarHBondContact O-N 3.35Å |
| 1226 | V | 52.3 | Low | 57 | Low | 77 Ų | 77 | 101.1 Ų | 101.1 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | trans | -129.5 | 127.6 | -178 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | E1228 | V1226-E1228 WeakPolarHBondContact CG1-O 3.07Š| ||
| 1227 | L | 56 | Low | 57.5 | Low | 133 Ų | 133 | 101.9 Ų | 101.9 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -80 | -23 | -172.7 | -143.3 | 82.3 | 0 | 0 | 0 | 113.9 | L1219 M1223 | L1219-L1227 HydrophobicContact CD1-CD1 4.16Å; M1223-L1227 HydrophobicContact CE-CD1 3.49Å; M1223-L1227 VanDerWaalsContact CE-CD1 3.49Å |
| 1228 | E | 57.1 | Low | 57.8 | Low | 147 Ų | 147 | 100.3 Ų | 100.3 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -140.3 | 117.9 | -177.6 | -67.3 | -177.8 | 172.7 | 0 | 0 | 109.7 | V1226 T1230 | V1226-E1228 WeakPolarHBondContact CG1-O 3.07Å; E1228-T1230 PolarHBondContact O-N 3.17Å; E1228-T1230 VanDerWaalsContact O-N 3.09Å |
| 1229 | I | 49.8 | Very low | 58.4 | Low | 127 Ų | 127 | 101.5 Ų | 101.5 | 65% | 0.651 | 52% | 0.522 | S | S | * | . | trans | -74.9 | 99.9 | 174.7 | -57.1 | 168.5 | 0 | 0 | 0 | 107.1 | E1234 | I1229-E1234 HydrophobicContact CG2-CG 4.02Š| ||
| 1230 | T | 50.1 | Low | 58.8 | Low | 54 Ų | 54 | 103.2 Ų | 103.2 | 33% | 0.331 | 54% | 0.538 | S | S | . | . | trans | -77.3 | 150.7 | 173.4 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | E1228 E1232 D1233 | E1228-T1230 PolarHBondContact O-N 3.17Å; E1228-T1230 VanDerWaalsContact O-N 3.09Å; T1230-E1232 PolarHBondContact O-N 3.33Å; T1230-D1233 PolarHBondContact O-N 3.31Å | ||
| 1231 | K | 55.4 | Low | 59.7 | Low | 172 Ų | 172 | 103 Ų | 103 | 75% | 0.748 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.7 | -22.3 | 173.7 | -71.1 | -174.8 | 176.6 | -176.4 | 0 | 112.7 | L1235 | K1231-L1235 WeakPolarHBondContact O-CG 3.33Å; K1231-L1235 PolarHBondContact O-N 3.08Å |
| 1232 | E | 56.2 | Low | 60 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 28% | 0.28 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -34.1 | 178 | -46.2 | 178.9 | 174.2 | 0 | 0 | 112.4 | T1230 K1236 Y1279 | T1230-E1232 PolarHBondContact O-N 3.33Å; E1232-K1236 WeakPolarHBondContact O-CG 3.44Å; E1232-K1236 PolarHBondContact O-N 2.78Å; E1232-Y1279 VanDerWaalsContact CD-OH 3.24Å; E1232-Y1279 HydrophobicContact CG-CE2 4.46Å; E1232-Y1279 VanDerWaalsContact CG-OH 3.32Å; E1232-Y1279 WeakPolarHBondContact CG-OH 3.15Å; E1232-Y1279 PolarHBondContact OE1-OH 2.79Å; E1232-Y1279 VanDerWaalsContact OE1-OH 3.07Å |
| 1233 | D | 56.8 | Low | 60.3 | Low | 52 Ų | 52 | 91.7 Ų | 91.7 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -80.1 | -29.5 | 178.9 | -72.4 | -24.2 | 0 | 0 | 0 | 112.3 | T1230 K1236 K1237 | T1230-D1233 PolarHBondContact O-N 3.31Å; D1233-K1236 PolarHBondContact O-N 2.86Å; D1233-K1236 IonicContact OD1-NZ 3.17Å; D1233-K1237 PolarHBondContact O-N 3.17Å |
| 1234 | E | 59.7 | Low | 61 | Low | 117 Ų | 117 | 87.8 Ų | 87.8 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 172.1 | -66.2 | -171.2 | 158.3 | 0 | 0 | 111.5 | I1229 K1236 K1237 | I1229-E1234 HydrophobicContact CG2-CG 4.02Å; E1234-K1236 PolarHBondContact O-N 3.39Å; E1234-K1237 PolarHBondContact O-N 3.4Å; E1234-K1237 VanDerWaalsContact O-N 3.16Å |
| 1235 | L | 62.6 | Low | 61.5 | Low | 27 Ų | 27 | 87.4 Ų | 87.4 | 14% | 0.141 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.2 | -24.1 | 176.2 | -71.3 | 166.7 | 0 | 0 | 0 | 113 | K1231 E1275 R1276 Y1279 | K1231-L1235 WeakPolarHBondContact O-CG 3.33Å; K1231-L1235 PolarHBondContact O-N 3.08Å; L1235-E1275 HydrophobicContact CD2-CB 3.76Å; L1235-R1276 HydrophobicContact CD2-CG 4.25Å; L1235-R1276 VanDerWaalsContact O-CZ 3.26Å; L1235-R1276 PolarHBondContact O-NE 3.33Å; L1235-R1276 PolarHBondContact O-NH2 3.05Å; L1235-Y1279 HydrophobicContact CD1-CD1 4.07Å; L1235-Y1279 HydrophobicContact CD1-CD2 4.31Å; L1235-Y1279 HydrophobicContact CD1-CG 3.84Å |
| 1236 | K | 62.9 | Low | 61.7 | Low | 110 Ų | 110 | 91.9 Ų | 91.9 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -81.2 | -19.9 | 175.9 | -73.9 | 172 | -170.5 | 163.3 | 0 | 113.8 | E1232 D1233 E1234 D1238 | E1232-K1236 WeakPolarHBondContact O-CG 3.44Å; E1232-K1236 PolarHBondContact O-N 2.78Å; D1233-K1236 PolarHBondContact O-N 2.86Å; D1233-K1236 IonicContact OD1-NZ 3.17Å; E1234-K1236 PolarHBondContact O-N 3.39Å; K1236-D1238 PolarHBondContact O-N 2.93Å |
| 1237 | K | 63.3 | Low | 62.4 | Low | 144 Ų | 144 | 93 Ų | 93 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -75.5 | 112.3 | 177 | -73.1 | 177.6 | -176.3 | 172.2 | 0 | 109.9 | D1233 E1234 | D1233-K1237 PolarHBondContact O-N 3.17Å; E1234-K1237 PolarHBondContact O-N 3.4Å; E1234-K1237 VanDerWaalsContact O-N 3.16Å |
| 1238 | D | 64.4 | Low | 62.5 | Low | 121 Ų | 121 | 89.4 Ų | 89.4 | 65% | 0.647 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 134.8 | 171.8 | -73.7 | -28.9 | 0 | 0 | 0 | 110.3 | K1236 R1276 | K1236-D1238 PolarHBondContact O-N 2.93Å; D1238-R1276 IonicContact OD1-CZ 2.92Å; D1238-R1276 IonicContact OD1-NH1 3.64Å; D1238-R1276 PolarHBondContact OD1-NH1 3.36Å; D1238-R1276 IonicContact OD1-NH2 3.45Å; D1238-R1276 PolarHBondContact OD1-NH2 3.37Å |
| 1239 | I | 73 | Confident | 62.9 | Low | 44 Ų | 44 | 86.9 Ų | 86.9 | 23% | 0.226 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 125.3 | 174.2 | -62.8 | 150.2 | 0 | 0 | 0 | 107.5 | K1241 Y1265 K1268 V1269 L1272 | I1239-K1241 PolarHBondContact O-N 3.12Å; I1239-Y1265 HydrophobicContact CB-CE2 4.24Å; I1239-Y1265 HydrophobicContact CG2-CD2 3.87Å; I1239-Y1265 HydrophobicContact CG2-CE2 4.01Å; I1239-Y1265 WeakPolarHBondContact O-CE2 3.2Å; I1239-K1268 HydrophobicContact CD1-CB 3.59Å; I1239-K1268 VanDerWaalsContact CD1-O 3.32Å; I1239-K1268 WeakPolarHBondContact CD1-O 3.38Å; I1239-V1269 HydrophobicContact CD1-CG2 4.01Å; I1239-L1272 HydrophobicContact CD1-CB 4.05Å; I1239-L1272 HydrophobicContact CD1-CD1 3.56Å; I1239-L1272 HydrophobicContact CD1-CG 4.45Å; I1239-L1272 HydrophobicContact CG1-CD1 3.65Å |
| 1240 | P | 67.6 | Low | 63.6 | Low | 112 Ų | 112 | 84.8 Ų | 84.8 | 73% | 0.727 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 131.9 | -176.9 | 21.7 | -31.4 | 0 | 0 | 0 | 110.5 | ||
| 1241 | K | 73.3 | Confident | 64.2 | Low | 133 Ų | 133 | 86.5 Ų | 86.5 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 133.1 | 178.3 | -67.7 | -179.8 | -177.3 | 178.1 | 0 | 109.5 | I1239 A1243 L1246 Y1265 | I1239-K1241 PolarHBondContact O-N 3.12Å; K1241-A1243 PolarHBondContact O-N 2.82Å; K1241-L1246 HydrophobicContact CB-CD1 4.14Å; K1241-L1246 HydrophobicContact CB-CG 4.32Å; K1241-L1246 WeakPolarHBondContact O-CD1 3.11Å; K1241-Y1265 HydrophobicContact CG-CE2 4.48Å |
| 1242 | P | 72.1 | Confident | 64.8 | Low | 22 Ų | 22 | 84.5 Ų | 84.5 | 14% | 0.143 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 138.3 | 172.8 | -26.3 | 30.4 | 0 | 0 | 0 | 111.6 | F1244 L1245 Y1265 | P1242-F1244 HydrophobicContact CB-CD1 3.81Å; P1242-F1244 HydrophobicContact CB-CE1 3.35Å; P1242-F1244 HydrophobicContact CB-CZ 3.99Å; P1242-F1244 HydrophobicContact CG-CE1 4.23Å; P1242-F1244 PolarHBondContact O-N 2.86Å; P1242-F1244 VanDerWaalsContact O-N 3.07Å; P1242-L1245 HydrophobicContact CB-CD1 4.36Å; P1242-L1245 HydrophobicContact CG-CD1 4.07Å; P1242-L1245 WeakPolarHBondContact O-CB 3.26Å; P1242-L1245 PolarHBondContact O-N 3.02Å; P1242-Y1265 VanDerWaalsContact CD-CD2 3.48Å; P1242-Y1265 HydrophobicContact CG-CD2 4.12Å; P1242-Y1265 HydrophobicContact CG-CG 3.92Å |
| 1243 | A | 68.1 | Low | 65.1 | Low | 77 Ų | 77 | 86.9 Ų | 86.9 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -55.2 | -33.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1241 L1245 L1246 T1247 | K1241-A1243 PolarHBondContact O-N 2.82Å; A1243-L1245 VanDerWaalsContact C-N 3.34Å; A1243-L1245 PolarHBondContact O-N 2.9Å; A1243-L1246 PolarHBondContact O-N 3.32Å; A1243-T1247 PolarHBondContact O-N 3.48Å; A1243-T1247 PolarHBondContact O-OG1 3.47Å |
| 1244 | F | 68.3 | Low | 65.5 | Low | 14 Ų | 14 | 87.7 Ų | 87.7 | 6% | 0.061 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -69 | -29.1 | 179.8 | 68.4 | -90.8 | 0 | 0 | 0 | 113.4 | P1242 T1247 K1249 D1258 M1261 | P1242-F1244 HydrophobicContact CB-CD1 3.81Å; P1242-F1244 HydrophobicContact CB-CE1 3.35Å; P1242-F1244 HydrophobicContact CB-CZ 3.99Å; P1242-F1244 HydrophobicContact CG-CE1 4.23Å; P1242-F1244 PolarHBondContact O-N 2.86Å; P1242-F1244 VanDerWaalsContact O-N 3.07Å; F1244-T1247 WeakPolarHBondContact CA-OG1 3.43Å; F1244-T1247 PolarHBondContact O-OG1 3.23Å; F1244-K1249 HydrophobicContact CB-CD 4.33Å; F1244-D1258 HydrophobicContact CD1-CB 4.15Å; F1244-D1258 WeakPolarHBondContact CD1-OD1 3.19Å; F1244-D1258 HydrophobicContact CD2-CB 3.95Å; F1244-D1258 HydrophobicContact CE1-CB 4.06Å; F1244-D1258 HydrophobicContact CE2-CB 3.86Å; F1244-D1258 HydrophobicContact CG-CB 4.11Å; F1244-D1258 WeakPolarHBondContact CG-OD1 3.25Å; F1244-D1258 HydrophobicContact CZ-CB 3.94Å; F1244-D1258 WeakPolarHBondContact CZ-O 2.96Å; F1244-M1261 HydrophobicContact CE1-CB 3.88Å; F1244-M1261 HydrophobicContact CZ-CB 4.49Å |
| 1245 | L | 65 | Low | 66.2 | Low | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.293 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 173.7 | -78 | 165.8 | 0 | 0 | 0 | 111.8 | P1242 A1243 G1248 W1254 Y1262 | P1242-L1245 HydrophobicContact CB-CD1 4.36Å; P1242-L1245 HydrophobicContact CG-CD1 4.07Å; P1242-L1245 WeakPolarHBondContact O-CB 3.26Å; P1242-L1245 PolarHBondContact O-N 3.02Å; A1243-L1245 VanDerWaalsContact C-N 3.34Å; A1243-L1245 PolarHBondContact O-N 2.9Å; L1245-G1248 PolarHBondContact O-N 3.43Å; L1245-W1254 HydrophobicContact CD2-CZ2 4.26Å; L1245-Y1262 HydrophobicContact CD1-CD2 3.66Å; L1245-Y1262 HydrophobicContact CD1-CE2 3.87Å; L1245-Y1262 HydrophobicContact CD2-CD2 4.06Å; L1245-Y1262 HydrophobicContact CD2-CE2 3.99Å; L1245-Y1262 HydrophobicContact CG-CD2 4.23Å; L1245-Y1262 HydrophobicContact CG-CE2 4.49Å |
| 1246 | L | 61.6 | Low | 66.7 | Low | 131 Ų | 131 | 92.4 Ų | 92.4 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.7 | -36.5 | 175.8 | -81.2 | 145.3 | 0 | 0 | 0 | 112.1 | K1241 A1243 G1248 | K1241-L1246 HydrophobicContact CB-CD1 4.14Å; K1241-L1246 HydrophobicContact CB-CG 4.32Å; K1241-L1246 WeakPolarHBondContact O-CD1 3.11Å; A1243-L1246 PolarHBondContact O-N 3.32Å; L1246-G1248 PolarHBondContact O-N 2.9Å |
| 1247 | T | 67 | Low | 67.3 | Low | 99 Ų | 99 | 92.6 Ų | 92.6 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -5.7 | 177.1 | 49 | 0 | 0 | 0 | 0 | 114.6 | A1243 F1244 K1249 | A1243-T1247 PolarHBondContact O-N 3.48Å; A1243-T1247 PolarHBondContact O-OG1 3.47Å; F1244-T1247 WeakPolarHBondContact CA-OG1 3.43Å; F1244-T1247 PolarHBondContact O-OG1 3.23Å; T1247-K1249 PolarHBondContact O-N 2.84Å |
| 1248 | G | 59.3 | Low | 67.9 | Low | 58 Ų | 58 | 86.6 Ų | 86.6 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 31.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1245 L1246 P1250 | L1245-G1248 PolarHBondContact O-N 3.43Å; L1246-G1248 PolarHBondContact O-N 2.9Å; G1248-P1250 WeakPolarHBondContact O-CD 3.41Å |
| 1249 | K | 64.8 | Low | 68.3 | Low | 95 Ų | 95 | 86.7 Ų | 86.7 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | trans | -60.5 | 123 | 176 | -74 | -171.7 | -173.9 | 174.5 | 0 | 109.9 | F1244 T1247 W1254 | F1244-K1249 HydrophobicContact CB-CD 4.33Å; T1247-K1249 PolarHBondContact O-N 2.84Å; K1249-W1254 PolarHBondContact O-NE1 2.97Å | ||
| 1250 | P | 64.3 | Low | 68.5 | Low | 83 Ų | 83 | 91.3 Ų | 91.3 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | trans | -59.1 | 145.9 | 177.5 | -10.2 | 17.4 | 0 | 0 | 0 | 111 | G1248 V1252 N1253 | G1248-P1250 WeakPolarHBondContact O-CD 3.41Å; P1250-V1252 PolarHBondContact O-N 3.3Å; P1250-N1253 PolarHBondContact O-N 3.22Å | ||
| 1251 | S | 61.6 | Low | 68.8 | Low | 90 Ų | 90 | 91.7 Ų | 91.7 | 63% | 0.629 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -54.2 | -23.3 | -174.8 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | N1253 | S1251-N1253 VanDerWaalsContact C-N 3.32Š|
| 1252 | V | 69.6 | Low | 69 | Low | 129 Ų | 129 | 88.5 Ų | 88.5 | 78% | 0.782 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -71.3 | -26.5 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | P1250 | P1250-V1252 PolarHBondContact O-N 3.3Š|
| 1253 | N | 62.1 | Low | 69.5 | Low | 111 Ų | 111 | 90.1 Ų | 90.1 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -101.1 | 14.4 | -175 | -69 | 3.3 | 0 | 0 | 0 | 113.2 | P1250 S1251 T1255 | P1250-N1253 PolarHBondContact O-N 3.22Å; S1251-N1253 VanDerWaalsContact C-N 3.32Å; N1253-T1255 PolarHBondContact O-N 3.08Å |
| 1254 | W | 65.9 | Low | 70.1 | Confident | 68 Ų | 68 | 90.9 Ų | 90.9 | 26% | 0.258 | 49% | 0.493 | S | S | . | . | trans | -73.5 | 119.6 | 177.9 | -70.2 | 7.6 | 0 | 0 | 0 | 110.1 | L1245 K1249 D1258 K1259 Y1262 | L1245-W1254 HydrophobicContact CD2-CZ2 4.26Å; K1249-W1254 PolarHBondContact O-NE1 2.97Å; W1254-D1258 HydrophobicContact CB-CB 4.27Å; W1254-K1259 HydrophobicContact CB-CG 4.39Å; W1254-K1259 HydrophobicContact CE3-CG 4.25Å; W1254-Y1262 HydrophobicContact CH2-CD2 4.37Å; W1254-Y1262 HydrophobicContact CH2-CE2 4.48Å; W1254-Y1262 HydrophobicContact CH2-CG 4.49Å; W1254-Y1262 HydrophobicContact CZ3-CD1 4.37Å; W1254-Y1262 HydrophobicContact CZ3-CG 4.3Å | ||
| 1255 | T | 73.4 | Confident | 70.7 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | trans | -65.5 | 157.7 | 170.1 | 3.7 | 0 | 0 | 0 | 0 | 110.4 | N1253 D1257 D1258 K1259 | N1253-T1255 PolarHBondContact O-N 3.08Å; T1255-D1257 PolarHBondContact O-N 3.13Å; T1255-D1258 PolarHBondContact N-OD2 3.46Å; T1255-D1258 VanDerWaalsContact N-OD2 3.08Å; T1255-D1258 WeakPolarHBondContact O-CB 3.43Å; T1255-D1258 PolarHBondContact O-N 3.39Å; T1255-D1258 PolarHBondContact OG1-OD2 2.92Å; T1255-K1259 PolarHBondContact O-N 3.12Å; T1255-K1259 VanDerWaalsContact O-N 3.16Å | ||
| 1256 | E | 73.4 | Confident | 71.5 | Confident | 162 Ų | 162 | 93.6 Ų | 93.6 | 76% | 0.757 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.7 | -34.6 | 178.4 | -69.4 | -178.5 | 162.7 | 0 | 0 | 112 | K1259 Q1260 | E1256-K1259 PolarHBondContact O-N 3.09Å; E1256-Q1260 PolarHBondContact O-N 3.29Å; E1256-Q1260 VanDerWaalsContact O-N 3.12Å |
| 1257 | D | 75.2 | Confident | 72.4 | Confident | 113 Ų | 113 | 93.2 Ų | 93.2 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -38.2 | 172.3 | -68 | -13.1 | 0 | 0 | 0 | 112.6 | T1255 K1259 Q1260 M1261 | T1255-D1257 PolarHBondContact O-N 3.13Å; D1257-K1259 VanDerWaalsContact C-N 3.3Å; D1257-K1259 PolarHBondContact O-N 3.04Å; D1257-Q1260 PolarHBondContact O-N 2.7Å; D1257-M1261 WeakPolarHBondContact O-CB 3.21Å; D1257-M1261 WeakPolarHBondContact O-CG 3.46Å; D1257-M1261 PolarHBondContact O-N 3.32Å |
| 1258 | D | 75.2 | Confident | 73 | Confident | 19 Ų | 19 | 93.1 Ų | 93.1 | 10% | 0.102 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.6 | -65.4 | -35.3 | 0 | 0 | 0 | 110.5 | F1244 W1254 T1255 M1261 Y1262 | F1244-D1258 HydrophobicContact CD1-CB 4.15Å; F1244-D1258 WeakPolarHBondContact CD1-OD1 3.19Å; F1244-D1258 HydrophobicContact CD2-CB 3.95Å; F1244-D1258 HydrophobicContact CE1-CB 4.06Å; F1244-D1258 HydrophobicContact CE2-CB 3.86Å; F1244-D1258 HydrophobicContact CG-CB 4.11Å; F1244-D1258 WeakPolarHBondContact CG-OD1 3.25Å; F1244-D1258 HydrophobicContact CZ-CB 3.94Å; F1244-D1258 WeakPolarHBondContact CZ-O 2.96Å; W1254-D1258 HydrophobicContact CB-CB 4.27Å; T1255-D1258 PolarHBondContact N-OD2 3.46Å; T1255-D1258 VanDerWaalsContact N-OD2 3.08Å; T1255-D1258 WeakPolarHBondContact O-CB 3.43Å; T1255-D1258 PolarHBondContact O-N 3.39Å; T1255-D1258 PolarHBondContact OG1-OD2 2.92Å; D1258-M1261 PolarHBondContact O-N 3.03Å; D1258-Y1262 VanDerWaalsContact O-CB 3.27Å; D1258-Y1262 WeakPolarHBondContact O-CB 3.38Å; D1258-Y1262 PolarHBondContact O-N 3.04Å |
| 1259 | K | 73.6 | Confident | 74.1 | Confident | 122 Ų | 122 | 92.1 Ų | 92.1 | 53% | 0.53 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 175.8 | -69.5 | 179.6 | -176.5 | 172.5 | 0 | 112 | W1254 T1255 E1256 D1257 Y1262 A1263 | W1254-K1259 HydrophobicContact CB-CG 4.39Å; W1254-K1259 HydrophobicContact CE3-CG 4.25Å; T1255-K1259 PolarHBondContact O-N 3.12Å; T1255-K1259 VanDerWaalsContact O-N 3.16Å; E1256-K1259 PolarHBondContact O-N 3.09Å; D1257-K1259 VanDerWaalsContact C-N 3.3Å; D1257-K1259 PolarHBondContact O-N 3.04Å; K1259-Y1262 PolarHBondContact O-N 3.1Å; K1259-A1263 WeakPolarHBondContact O-CB 3.3Å; K1259-A1263 PolarHBondContact O-N 3.1Å |
| 1260 | Q | 76 | Confident | 74.8 | Confident | 141 Ų | 141 | 94.1 Ų | 94.1 | 66% | 0.659 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.7 | -46.5 | 175.5 | -73.2 | -172.3 | 2.4 | 0 | 0 | 111.8 | E1256 D1257 Y1262 A1263 E1264 | E1256-Q1260 PolarHBondContact O-N 3.29Å; E1256-Q1260 VanDerWaalsContact O-N 3.12Å; D1257-Q1260 PolarHBondContact O-N 2.7Å; Q1260-Y1262 VanDerWaalsContact C-N 3.27Å; Q1260-Y1262 PolarHBondContact O-N 2.77Å; Q1260-A1263 PolarHBondContact O-N 3.26Å; Q1260-E1264 PolarHBondContact O-N 3.28Å |
| 1261 | M | 74.3 | Confident | 75.6 | Confident | 120 Ų | 120 | 94.5 Ų | 94.5 | 59% | 0.591 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.8 | -34.6 | 176.9 | -71 | -137.3 | -176.7 | 0 | 0 | 112.4 | F1244 D1257 D1258 Y1265 | F1244-M1261 HydrophobicContact CE1-CB 3.88Å; F1244-M1261 HydrophobicContact CZ-CB 4.49Å; D1257-M1261 WeakPolarHBondContact O-CB 3.21Å; D1257-M1261 WeakPolarHBondContact O-CG 3.46Å; D1257-M1261 PolarHBondContact O-N 3.32Å; D1258-M1261 PolarHBondContact O-N 3.03Å; M1261-Y1265 VanDerWaalsContact O-CB 3.26Å; M1261-Y1265 WeakPolarHBondContact O-CB 3.42Å; M1261-Y1265 PolarHBondContact O-N 3.46Å |
| 1262 | Y | 78.7 | Confident | 76.5 | Confident | 67 Ų | 67 | 91.5 Ų | 91.5 | 26% | 0.263 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 172.8 | -172.5 | -101.7 | 0 | 0 | 0 | 112.1 | L1245 W1254 D1258 K1259 Q1260 E1264 Y1265 E1266 | L1245-Y1262 HydrophobicContact CD1-CD2 3.66Å; L1245-Y1262 HydrophobicContact CD1-CE2 3.87Å; L1245-Y1262 HydrophobicContact CD2-CD2 4.06Å; L1245-Y1262 HydrophobicContact CD2-CE2 3.99Å; L1245-Y1262 HydrophobicContact CG-CD2 4.23Å; L1245-Y1262 HydrophobicContact CG-CE2 4.49Å; W1254-Y1262 HydrophobicContact CH2-CD2 4.37Å; W1254-Y1262 HydrophobicContact CH2-CE2 4.48Å; W1254-Y1262 HydrophobicContact CH2-CG 4.49Å; W1254-Y1262 HydrophobicContact CZ3-CD1 4.37Å; W1254-Y1262 HydrophobicContact CZ3-CG 4.3Å; D1258-Y1262 VanDerWaalsContact O-CB 3.27Å; D1258-Y1262 WeakPolarHBondContact O-CB 3.38Å; D1258-Y1262 PolarHBondContact O-N 3.04Å; K1259-Y1262 PolarHBondContact O-N 3.1Å; Q1260-Y1262 VanDerWaalsContact C-N 3.27Å; Q1260-Y1262 PolarHBondContact O-N 2.77Å; Y1262-E1264 VanDerWaalsContact C-N 3.32Å; Y1262-E1264 PolarHBondContact O-N 2.86Å; Y1262-Y1265 WeakPolarHBondContact O-CB 3.5Å; Y1262-Y1265 PolarHBondContact O-N 2.63Å; Y1262-E1266 HydrophobicContact CD1-CG 4.19Å; Y1262-E1266 HydrophobicContact CE1-CG 3.66Å; Y1262-E1266 WeakPolarHBondContact CE1-OE1 3.4Å; Y1262-E1266 PolarHBondContact O-N 3.09Å; Y1262-E1266 PolarHBondContact OH-OE1 3.4Å |
| 1263 | A | 81.5 | Confident | 76.9 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1259 Q1260 E1266 R1267 | K1259-A1263 WeakPolarHBondContact O-CB 3.3Å; K1259-A1263 PolarHBondContact O-N 3.1Å; Q1260-A1263 PolarHBondContact O-N 3.26Å; A1263-E1266 PolarHBondContact O-N 3Å; A1263-R1267 WeakPolarHBondContact O-CB 3.37Å; A1263-R1267 PolarHBondContact O-N 3.15Å |
| 1264 | E | 80.8 | Confident | 77.8 | Confident | 92 Ų | 92 | 88.6 Ų | 88.6 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.4 | -36.6 | 176.5 | -172.2 | 147.6 | -137.7 | 0 | 0 | 112.6 | Q1260 Y1262 R1267 K1268 | Q1260-E1264 PolarHBondContact O-N 3.28Å; Y1262-E1264 VanDerWaalsContact C-N 3.32Å; Y1262-E1264 PolarHBondContact O-N 2.86Å; E1264-R1267 PolarHBondContact O-N 3.39Å; E1264-R1267 IonicContact OE1-NH2 3.53Å; E1264-R1267 PolarHBondContact OE1-NH2 3.14Å; E1264-K1268 WeakPolarHBondContact O-CG 3.39Å; E1264-K1268 PolarHBondContact O-N 3.15Å |
| 1265 | Y | 82 | Confident | 78.5 | Confident | 46 Ų | 46 | 91 Ų | 91 | 18% | 0.18 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 169.2 | 171.8 | -98.3 | 0 | 0 | 0 | 111.4 | I1239 K1241 P1242 M1261 Y1262 R1267 K1268 V1269 | I1239-Y1265 HydrophobicContact CB-CE2 4.24Å; I1239-Y1265 HydrophobicContact CG2-CD2 3.87Å; I1239-Y1265 HydrophobicContact CG2-CE2 4.01Å; I1239-Y1265 WeakPolarHBondContact O-CE2 3.2Å; K1241-Y1265 HydrophobicContact CG-CE2 4.48Å; P1242-Y1265 VanDerWaalsContact CD-CD2 3.48Å; P1242-Y1265 HydrophobicContact CG-CD2 4.12Å; P1242-Y1265 HydrophobicContact CG-CG 3.92Å; M1261-Y1265 VanDerWaalsContact O-CB 3.26Å; M1261-Y1265 WeakPolarHBondContact O-CB 3.42Å; M1261-Y1265 PolarHBondContact O-N 3.46Å; Y1262-Y1265 WeakPolarHBondContact O-CB 3.5Å; Y1262-Y1265 PolarHBondContact O-N 2.63Å; Y1265-R1267 VanDerWaalsContact C-N 3.32Å; Y1265-R1267 PolarHBondContact O-N 3.14Å; Y1265-K1268 PolarHBondContact O-N 3.23Å; Y1265-V1269 HydrophobicContact CD1-CG2 4.23Å; Y1265-V1269 HydrophobicContact CD2-CG2 4.12Å; Y1265-V1269 HydrophobicContact CE1-CG2 3.85Å; Y1265-V1269 HydrophobicContact CE2-CG2 3.75Å; Y1265-V1269 HydrophobicContact CG-CG2 4.36Å; Y1265-V1269 WeakPolarHBondContact O-CB 3.47Å; Y1265-V1269 VanDerWaalsContact O-CG2 3.23Å; Y1265-V1269 WeakPolarHBondContact O-CG2 3.47Å; Y1265-V1269 PolarHBondContact O-N 2.93Å |
| 1266 | E | 80 | Confident | 78.6 | Confident | 81 Ų | 81 | 90.7 Ų | 90.7 | 38% | 0.379 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.7 | -81.3 | -164.3 | 156 | 0 | 0 | 112.5 | Y1262 A1263 V1269 K1270 | Y1262-E1266 HydrophobicContact CD1-CG 4.19Å; Y1262-E1266 HydrophobicContact CE1-CG 3.66Å; Y1262-E1266 WeakPolarHBondContact CE1-OE1 3.4Å; Y1262-E1266 PolarHBondContact O-N 3.09Å; Y1262-E1266 PolarHBondContact OH-OE1 3.4Å; A1263-E1266 PolarHBondContact O-N 3Å; E1266-V1269 PolarHBondContact O-N 3.19Å; E1266-K1270 WeakPolarHBondContact O-CB 3.46Å; E1266-K1270 WeakPolarHBondContact O-CG 3.36Å; E1266-K1270 PolarHBondContact O-N 3.01Å |
| 1267 | R | 81.5 | Confident | 78.8 | Confident | 123 Ų | 123 | 88.6 Ų | 88.6 | 46% | 0.464 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 175.3 | -177 | 177.6 | 66.6 | 119.7 | -8.7 | 111.5 | A1263 E1264 Y1265 V1269 K1270 E1271 | A1263-R1267 WeakPolarHBondContact O-CB 3.37Å; A1263-R1267 PolarHBondContact O-N 3.15Å; E1264-R1267 PolarHBondContact O-N 3.39Å; E1264-R1267 IonicContact OE1-NH2 3.53Å; E1264-R1267 PolarHBondContact OE1-NH2 3.14Å; Y1265-R1267 VanDerWaalsContact C-N 3.32Å; Y1265-R1267 PolarHBondContact O-N 3.14Å; R1267-V1269 VanDerWaalsContact C-N 3.32Å; R1267-V1269 PolarHBondContact O-N 2.98Å; R1267-K1270 WeakPolarHBondContact O-CB 3.46Å; R1267-K1270 PolarHBondContact O-N 3.33Å; R1267-E1271 IonicContact NH1-OE1 2.9Å; R1267-E1271 WeakPolarHBondContact O-CG 3.38Å; R1267-E1271 PolarHBondContact O-N 2.93Å |
| 1268 | K | 80.6 | Confident | 79.2 | Confident | 97 Ų | 97 | 90 Ų | 90 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 178.9 | -69.8 | 177.6 | -179.7 | 174.1 | 0 | 111.9 | I1239 E1264 Y1265 L1272 | I1239-K1268 HydrophobicContact CD1-CB 3.59Å; I1239-K1268 VanDerWaalsContact CD1-O 3.32Å; I1239-K1268 WeakPolarHBondContact CD1-O 3.38Å; E1264-K1268 WeakPolarHBondContact O-CG 3.39Å; E1264-K1268 PolarHBondContact O-N 3.15Å; Y1265-K1268 PolarHBondContact O-N 3.23Å; K1268-L1272 WeakPolarHBondContact O-CB 3.5Å; K1268-L1272 PolarHBondContact O-N 3.21Å |
| 1269 | V | 80.4 | Confident | 79.3 | Confident | 38 Ų | 38 | 91.8 Ų | 91.8 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | I1239 Y1265 E1266 R1267 N1273 | I1239-V1269 HydrophobicContact CD1-CG2 4.01Å; Y1265-V1269 HydrophobicContact CD1-CG2 4.23Å; Y1265-V1269 HydrophobicContact CD2-CG2 4.12Å; Y1265-V1269 HydrophobicContact CE1-CG2 3.85Å; Y1265-V1269 HydrophobicContact CE2-CG2 3.75Å; Y1265-V1269 HydrophobicContact CG-CG2 4.36Å; Y1265-V1269 WeakPolarHBondContact O-CB 3.47Å; Y1265-V1269 VanDerWaalsContact O-CG2 3.23Å; Y1265-V1269 WeakPolarHBondContact O-CG2 3.47Å; Y1265-V1269 PolarHBondContact O-N 2.93Å; E1266-V1269 PolarHBondContact O-N 3.19Å; R1267-V1269 VanDerWaalsContact C-N 3.32Å; R1267-V1269 PolarHBondContact O-N 2.98Å; V1269-N1273 VanDerWaalsContact O-CB 3.25Å; V1269-N1273 WeakPolarHBondContact O-CB 3.38Å; V1269-N1273 PolarHBondContact O-N 3.48Å; V1269-N1273 PolarHBondContact O-ND2 2.8Å |
| 1270 | K | 80.1 | Confident | 79.6 | Confident | 137 Ų | 137 | 90.8 Ų | 90.8 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.8 | -49.2 | 173.7 | -81.3 | -178.1 | 179 | 178.2 | 0 | 112.2 | E1266 R1267 L1272 N1273 E1274 | E1266-K1270 WeakPolarHBondContact O-CB 3.46Å; E1266-K1270 WeakPolarHBondContact O-CG 3.36Å; E1266-K1270 PolarHBondContact O-N 3.01Å; R1267-K1270 WeakPolarHBondContact O-CB 3.46Å; R1267-K1270 PolarHBondContact O-N 3.33Å; K1270-L1272 VanDerWaalsContact C-N 3.34Å; K1270-L1272 PolarHBondContact O-N 3.46Å; K1270-N1273 PolarHBondContact O-N 3.13Å; K1270-E1274 WeakPolarHBondContact O-CG 3.42Å; K1270-E1274 PolarHBondContact O-N 2.73Å |
| 1271 | E | 81.8 | Confident | 79.9 | Confident | 90 Ų | 90 | 90.7 Ų | 90.7 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 177 | -72.1 | 170.2 | -174.5 | 0 | 0 | 111.1 | R1267 N1273 E1274 E1275 | R1267-E1271 IonicContact NH1-OE1 2.9Å; R1267-E1271 WeakPolarHBondContact O-CG 3.38Å; R1267-E1271 PolarHBondContact O-N 2.93Å; E1271-N1273 PolarHBondContact O-N 2.83Å; E1271-E1274 PolarHBondContact O-N 2.83Å; E1271-E1275 PolarHBondContact O-N 2.78Å |
| 1272 | L | 80 | Confident | 80.5 | Confident | 27 Ų | 27 | 90.4 Ų | 90.4 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 176.9 | -164.5 | 158.3 | 0 | 0 | 0 | 111.6 | I1239 K1268 K1270 E1275 R1276 | I1239-L1272 HydrophobicContact CD1-CB 4.05Å; I1239-L1272 HydrophobicContact CD1-CD1 3.56Å; I1239-L1272 HydrophobicContact CD1-CG 4.45Å; I1239-L1272 HydrophobicContact CG1-CD1 3.65Å; K1268-L1272 WeakPolarHBondContact O-CB 3.5Å; K1268-L1272 PolarHBondContact O-N 3.21Å; K1270-L1272 VanDerWaalsContact C-N 3.34Å; K1270-L1272 PolarHBondContact O-N 3.46Å; L1272-E1275 PolarHBondContact O-N 2.77Å; L1272-R1276 HydrophobicContact CD2-CG 3.96Å; L1272-R1276 WeakPolarHBondContact O-CB 3.35Å; L1272-R1276 WeakPolarHBondContact O-CG 3.22Å; L1272-R1276 PolarHBondContact O-N 2.81Å |
| 1273 | N | 77.9 | Confident | 80.8 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 175 | -78.6 | -19.9 | 0 | 0 | 0 | 112.8 | V1269 K1270 E1271 E1275 R1276 E1277 | V1269-N1273 VanDerWaalsContact O-CB 3.25Å; V1269-N1273 WeakPolarHBondContact O-CB 3.38Å; V1269-N1273 PolarHBondContact O-N 3.48Å; V1269-N1273 PolarHBondContact O-ND2 2.8Å; K1270-N1273 PolarHBondContact O-N 3.13Å; E1271-N1273 PolarHBondContact O-N 2.83Å; N1273-E1275 VanDerWaalsContact C-N 3.33Å; N1273-E1275 PolarHBondContact O-N 2.78Å; N1273-R1276 PolarHBondContact O-N 2.84Å; N1273-E1277 PolarHBondContact O-N 2.85Å |
| 1274 | E | 82.3 | Confident | 80.8 | Confident | 111 Ų | 111 | 88.5 Ų | 88.5 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -38 | 174.4 | -74.2 | 178.8 | -166.4 | 0 | 0 | 111.8 | K1270 E1271 E1277 K1278 | K1270-E1274 WeakPolarHBondContact O-CG 3.42Å; K1270-E1274 PolarHBondContact O-N 2.73Å; E1271-E1274 PolarHBondContact O-N 2.83Å; E1274-E1277 PolarHBondContact O-N 2.95Å; E1274-K1278 WeakPolarHBondContact O-CG 3.3Å; E1274-K1278 PolarHBondContact O-N 2.89Å |
| 1275 | E | 79.3 | Confident | 81 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 173 | -69.1 | -173.9 | 164 | 0 | 0 | 112.1 | L1235 E1271 L1272 N1273 E1277 K1278 Y1279 | L1235-E1275 HydrophobicContact CD2-CB 3.76Å; E1271-E1275 PolarHBondContact O-N 2.78Å; L1272-E1275 PolarHBondContact O-N 2.77Å; N1273-E1275 VanDerWaalsContact C-N 3.33Å; N1273-E1275 PolarHBondContact O-N 2.78Å; E1275-E1277 VanDerWaalsContact C-N 3.31Å; E1275-E1277 PolarHBondContact O-N 2.89Å; E1275-K1278 PolarHBondContact O-N 3.29Å; E1275-Y1279 WeakPolarHBondContact O-CB 3.41Å; E1275-Y1279 PolarHBondContact O-N 2.78Å |
| 1276 | R | 76.8 | Confident | 81.2 | Confident | 77 Ų | 77 | 84.9 Ų | 84.9 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 171.8 | -77 | 176.4 | 172.7 | 170.7 | 2.4 | 111.6 | L1235 D1238 L1272 N1273 Y1279 K1280 | L1235-R1276 HydrophobicContact CD2-CG 4.25Å; L1235-R1276 VanDerWaalsContact O-CZ 3.26Å; L1235-R1276 PolarHBondContact O-NE 3.33Å; L1235-R1276 PolarHBondContact O-NH2 3.05Å; D1238-R1276 IonicContact OD1-CZ 2.92Å; D1238-R1276 IonicContact OD1-NH1 3.64Å; D1238-R1276 PolarHBondContact OD1-NH1 3.36Å; D1238-R1276 IonicContact OD1-NH2 3.45Å; D1238-R1276 PolarHBondContact OD1-NH2 3.37Å; L1272-R1276 HydrophobicContact CD2-CG 3.96Å; L1272-R1276 WeakPolarHBondContact O-CB 3.35Å; L1272-R1276 WeakPolarHBondContact O-CG 3.22Å; L1272-R1276 PolarHBondContact O-N 2.81Å; N1273-R1276 PolarHBondContact O-N 2.84Å; R1276-Y1279 PolarHBondContact O-N 3.25Å; R1276-K1280 VanDerWaalsContact O-CB 3.3Å; R1276-K1280 WeakPolarHBondContact O-CB 3.4Å; R1276-K1280 PolarHBondContact O-N 3.47Å |
| 1277 | E | 77.7 | Confident | 81.4 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.9 | -40.2 | 177.6 | -78.3 | -167 | 175.1 | 0 | 0 | 113.2 | N1273 E1274 E1275 Y1279 K1280 K1281 | N1273-E1277 PolarHBondContact O-N 2.85Å; E1274-E1277 PolarHBondContact O-N 2.95Å; E1275-E1277 VanDerWaalsContact C-N 3.31Å; E1275-E1277 PolarHBondContact O-N 2.89Å; E1277-Y1279 VanDerWaalsContact C-N 3.34Å; E1277-K1280 PolarHBondContact O-N 3.2Å; E1277-K1281 WeakPolarHBondContact O-CB 3.35Å; E1277-K1281 WeakPolarHBondContact O-CG 3.15Å; E1277-K1281 PolarHBondContact O-N 2.99Å |
| 1278 | K | 82.6 | Confident | 81.6 | Confident | 141 Ų | 141 | 83.4 Ų | 83.4 | 61% | 0.613 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 173.7 | -74.1 | 170.2 | -172.4 | 166.5 | 0 | 111.2 | E1274 E1275 K1281 F1282 | E1274-K1278 WeakPolarHBondContact O-CG 3.3Å; E1274-K1278 PolarHBondContact O-N 2.89Å; E1275-K1278 PolarHBondContact O-N 3.29Å; K1278-K1281 PolarHBondContact O-N 2.81Å; K1278-F1282 WeakPolarHBondContact O-CB 3.41Å; K1278-F1282 PolarHBondContact O-N 3.36Å |
| 1279 | Y | 77.5 | Confident | 82 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.9 | -172.4 | -111.3 | 0 | 0 | 0 | 111.8 | E1232 L1235 E1275 R1276 E1277 F1282 L1283 | E1232-Y1279 VanDerWaalsContact CD-OH 3.24Å; E1232-Y1279 HydrophobicContact CG-CE2 4.46Å; E1232-Y1279 VanDerWaalsContact CG-OH 3.32Å; E1232-Y1279 WeakPolarHBondContact CG-OH 3.15Å; E1232-Y1279 PolarHBondContact OE1-OH 2.79Å; E1232-Y1279 VanDerWaalsContact OE1-OH 3.07Å; L1235-Y1279 HydrophobicContact CD1-CD1 4.07Å; L1235-Y1279 HydrophobicContact CD1-CD2 4.31Å; L1235-Y1279 HydrophobicContact CD1-CG 3.84Å; E1275-Y1279 WeakPolarHBondContact O-CB 3.41Å; E1275-Y1279 PolarHBondContact O-N 2.78Å; R1276-Y1279 PolarHBondContact O-N 3.25Å; E1277-Y1279 VanDerWaalsContact C-N 3.34Å; Y1279-F1282 WeakPolarHBondContact O-CB 3.49Å; Y1279-F1282 PolarHBondContact O-N 2.86Å; Y1279-L1283 HydrophobicContact CD1-CD1 3.93Å; Y1279-L1283 HydrophobicContact CD1-CG 4.49Å; Y1279-L1283 HydrophobicContact CE1-CD1 3.44Å; Y1279-L1283 VanDerWaalsContact CE1-CD1 3.44Å; Y1279-L1283 HydrophobicContact CE1-CG 4.11Å; Y1279-L1283 HydrophobicContact CE2-CG 4.48Å; Y1279-L1283 WeakPolarHBondContact O-CG 3.43Å; Y1279-L1283 PolarHBondContact O-N 3.11Å |
| 1280 | K | 80.2 | Confident | 82.4 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 173.2 | -177.7 | 178.3 | 175 | -175.1 | 0 | 112.2 | L1150 R1276 E1277 F1282 L1283 E1284 | L1150-K1280 HydrophobicContact CD2-CB 4.41Å; L1150-K1280 HydrophobicContact CD2-CG 3.72Å; R1276-K1280 VanDerWaalsContact O-CB 3.3Å; R1276-K1280 WeakPolarHBondContact O-CB 3.4Å; R1276-K1280 PolarHBondContact O-N 3.47Å; E1277-K1280 PolarHBondContact O-N 3.2Å; K1280-F1282 VanDerWaalsContact C-N 3.32Å; K1280-F1282 PolarHBondContact O-N 2.71Å; K1280-L1283 PolarHBondContact O-N 2.89Å; K1280-E1284 WeakPolarHBondContact CE-OE1 3.11Å; K1280-E1284 WeakPolarHBondContact O-CG 3.11Å; K1280-E1284 PolarHBondContact O-N 2.96Å |
| 1281 | K | 82.6 | Confident | 82.7 | Confident | 140 Ų | 140 | 81 Ų | 81 | 61% | 0.609 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.8 | -36.1 | 177.3 | -75.1 | 177.6 | -177.6 | 170.8 | 0 | 112.6 | E1277 K1278 G1285 | E1277-K1281 WeakPolarHBondContact O-CB 3.35Å; E1277-K1281 WeakPolarHBondContact O-CG 3.15Å; E1277-K1281 PolarHBondContact O-N 2.99Å; K1278-K1281 PolarHBondContact O-N 2.81Å; K1281-G1285 PolarHBondContact O-N 2.65Å |
| 1282 | F | 86.1 | Confident | 83.1 | Confident | 113 Ų | 113 | 80.9 Ų | 80.9 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.7 | 174.2 | -96.9 | 0 | 0 | 0 | 111.3 | K1278 Y1279 K1280 G1285 D1286 | K1278-F1282 WeakPolarHBondContact O-CB 3.41Å; K1278-F1282 PolarHBondContact O-N 3.36Å; Y1279-F1282 WeakPolarHBondContact O-CB 3.49Å; Y1279-F1282 PolarHBondContact O-N 2.86Å; K1280-F1282 VanDerWaalsContact C-N 3.32Å; K1280-F1282 PolarHBondContact O-N 2.71Å; F1282-G1285 PolarHBondContact O-N 3.43Å; F1282-D1286 WeakPolarHBondContact CE1-OD2 3.46Å; F1282-D1286 WeakPolarHBondContact CZ-OD2 3.39Å; F1282-D1286 PolarHBondContact O-N 2.79Å |
| 1283 | L | 84.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.5 | -73.3 | 179.2 | 0 | 0 | 0 | 113 | I1146 D1149 L1150 Y1279 K1280 G1285 D1286 L1287 | I1146-L1283 HydrophobicContact CG1-CD2 4.15Å; I1146-L1283 HydrophobicContact CG2-CB 4Å; I1146-L1283 HydrophobicContact CG2-CD2 4.18Å; D1149-L1283 HydrophobicContact CB-CD1 3.96Å; L1150-L1283 HydrophobicContact CD1-CB 4.44Å; L1150-L1283 HydrophobicContact CD2-CB 4.06Å; L1150-L1283 HydrophobicContact CD2-CD1 4.08Å; L1150-L1283 HydrophobicContact CG-CB 4.27Å; L1150-L1283 HydrophobicContact CG-CD1 4.16Å; Y1279-L1283 HydrophobicContact CD1-CD1 3.93Å; Y1279-L1283 HydrophobicContact CD1-CG 4.49Å; Y1279-L1283 HydrophobicContact CE1-CD1 3.44Å; Y1279-L1283 VanDerWaalsContact CE1-CD1 3.44Å; Y1279-L1283 HydrophobicContact CE1-CG 4.11Å; Y1279-L1283 HydrophobicContact CE2-CG 4.48Å; Y1279-L1283 WeakPolarHBondContact O-CG 3.43Å; Y1279-L1283 PolarHBondContact O-N 3.11Å; K1280-L1283 PolarHBondContact O-N 2.89Å; L1283-G1285 VanDerWaalsContact C-N 3.33Å; L1283-D1286 PolarHBondContact O-N 2.76Å; L1283-L1287 WeakPolarHBondContact O-CB 3.23Å; L1283-L1287 PolarHBondContact O-N 2.9Å |
| 1284 | E | 82.7 | Confident | 84 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 173.9 | -74.1 | 173.9 | 175.2 | 0 | 0 | 111.8 | K1280 K1288 | K1280-E1284 WeakPolarHBondContact CE-OE1 3.11Å; K1280-E1284 WeakPolarHBondContact O-CG 3.11Å; K1280-E1284 PolarHBondContact O-N 2.96Å; E1284-K1288 PolarHBondContact O-N 3.3Å |
| 1285 | G | 85.4 | Confident | 84.2 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1281 F1282 L1283 K1288 K1289 | K1281-G1285 PolarHBondContact O-N 2.65Å; F1282-G1285 PolarHBondContact O-N 3.43Å; L1283-G1285 VanDerWaalsContact C-N 3.33Å; G1285-K1288 PolarHBondContact O-N 3.27Å; G1285-K1289 WeakPolarHBondContact O-CG 3.29Å; G1285-K1289 PolarHBondContact O-N 2.73Å; G1285-K1289 VanDerWaalsContact O-N 3.07Å |
| 1286 | D | 86.4 | Confident | 84.7 | Confident | 31 Ų | 31 | 77.4 Ų | 77.4 | 17% | 0.166 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 174.9 | -88.7 | 6.4 | 0 | 0 | 0 | 111.7 | I1146 F1282 L1283 K1288 K1289 I1290 | I1146-D1286 HydrophobicContact CD1-CB 4.42Å; F1282-D1286 WeakPolarHBondContact CE1-OD2 3.46Å; F1282-D1286 WeakPolarHBondContact CZ-OD2 3.39Å; F1282-D1286 PolarHBondContact O-N 2.79Å; L1283-D1286 PolarHBondContact O-N 2.76Å; D1286-K1288 PolarHBondContact O-N 3.26Å; D1286-K1289 PolarHBondContact O-N 2.79Å; D1286-K1289 IonicContact OD1-NZ 2.76Å; D1286-I1290 VanDerWaalsContact O-CG1 3.25Å; D1286-I1290 WeakPolarHBondContact O-CG1 3.3Å; D1286-I1290 PolarHBondContact O-N 3.48Å |
| 1287 | L | 82.8 | Confident | 85.4 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.1 | 178 | 150.3 | 0 | 0 | 0 | 111.3 | I1146 L1150 L1283 I1290 Y1291 | I1146-L1287 HydrophobicContact CG2-CB 4.23Å; I1146-L1287 HydrophobicContact CG2-CD1 4.08Å; L1150-L1287 HydrophobicContact CD1-CD1 4.45Å; L1283-L1287 WeakPolarHBondContact O-CB 3.23Å; L1283-L1287 PolarHBondContact O-N 2.9Å; L1287-I1290 PolarHBondContact O-N 2.8Å; L1287-Y1291 HydrophobicContact CD1-CE2 4.41Å; L1287-Y1291 HydrophobicContact CD2-CD2 3.62Å; L1287-Y1291 HydrophobicContact CD2-CE2 3.42Å; L1287-Y1291 VanDerWaalsContact CD2-CE2 3.42Å; L1287-Y1291 HydrophobicContact CG-CD2 4.02Å; L1287-Y1291 HydrophobicContact CG-CE2 3.67Å; L1287-Y1291 WeakPolarHBondContact O-CD2 3.24Å; L1287-Y1291 PolarHBondContact O-N 2.84Å |
| 1288 | K | 86.8 | Confident | 85.9 | Confident | 143 Ų | 143 | 71.1 Ų | 71.1 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 175.4 | -170.9 | 175.9 | -178.2 | 178.5 | 0 | 112.7 | E1284 G1285 D1286 Y1291 N1292 | E1284-K1288 PolarHBondContact O-N 3.3Å; G1285-K1288 PolarHBondContact O-N 3.27Å; D1286-K1288 PolarHBondContact O-N 3.26Å; K1288-Y1291 PolarHBondContact O-N 3.03Å; K1288-N1292 PolarHBondContact O-N 2.75Å; K1288-N1292 VanDerWaalsContact O-N 3.08Å |
| 1289 | K | 89.6 | Confident | 86.2 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 53% | 0.53 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.3 | -71.4 | 173.1 | -172.2 | 168.3 | 0 | 111.5 | G1285 D1286 Y1291 N1292 E1293 | G1285-K1289 WeakPolarHBondContact O-CG 3.29Å; G1285-K1289 PolarHBondContact O-N 2.73Å; G1285-K1289 VanDerWaalsContact O-N 3.07Å; D1286-K1289 PolarHBondContact O-N 2.79Å; D1286-K1289 IonicContact OD1-NZ 2.76Å; K1289-Y1291 VanDerWaalsContact C-N 3.32Å; K1289-Y1291 PolarHBondContact O-N 3.36Å; K1289-N1292 PolarHBondContact O-N 2.92Å; K1289-E1293 WeakPolarHBondContact O-CG 3.32Å; K1289-E1293 PolarHBondContact O-N 2.87Å |
| 1290 | I | 87.2 | Confident | 86.8 | Confident | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | -179.1 | -61.7 | 164.5 | 0 | 0 | 0 | 110.9 | K1139 R1142 I1143 I1146 D1286 L1287 E1293 I1294 | K1139-I1290 HydrophobicContact CB-CG2 3.72Å; K1139-I1290 HydrophobicContact CD-CG2 4.31Å; K1139-I1290 HydrophobicContact CG-CG2 4.25Å; R1142-I1290 HydrophobicContact CB-CD1 4.33Å; R1142-I1290 HydrophobicContact CG-CD1 3.59Å; I1143-I1290 HydrophobicContact CD1-CB 4.33Å; I1143-I1290 HydrophobicContact CD1-CG2 3.68Å; I1143-I1290 HydrophobicContact CG1-CB 4.24Å; I1143-I1290 HydrophobicContact CG1-CG2 3.77Å; I1146-I1290 HydrophobicContact CD1-CD1 3.69Å; D1286-I1290 VanDerWaalsContact O-CG1 3.25Å; D1286-I1290 WeakPolarHBondContact O-CG1 3.3Å; D1286-I1290 PolarHBondContact O-N 3.48Å; L1287-I1290 PolarHBondContact O-N 2.8Å; I1290-E1293 PolarHBondContact O-N 3.29Å; I1290-I1294 HydrophobicContact CG2-CD1 4.1Å; I1290-I1294 VanDerWaalsContact O-CG1 3.28Å; I1290-I1294 WeakPolarHBondContact O-CG1 3.41Å; I1290-I1294 PolarHBondContact O-N 3.14Å |
| 1291 | Y | 87.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 173.1 | -81.5 | -61.8 | 0 | 0 | 0 | 112.4 | I1143 L1159 L1287 K1288 K1289 E1293 I1294 D1295 | I1143-Y1291 HydrophobicContact CD1-CD1 4.21Å; I1143-Y1291 HydrophobicContact CD1-CE1 3.95Å; I1143-Y1291 HydrophobicContact CD1-CE2 4.38Å; L1159-Y1291 HydrophobicContact CD1-CE1 4.46Å; L1287-Y1291 HydrophobicContact CD1-CE2 4.41Å; L1287-Y1291 HydrophobicContact CD2-CD2 3.62Å; L1287-Y1291 HydrophobicContact CD2-CE2 3.42Å; L1287-Y1291 VanDerWaalsContact CD2-CE2 3.42Å; L1287-Y1291 HydrophobicContact CG-CD2 4.02Å; L1287-Y1291 HydrophobicContact CG-CE2 3.67Å; L1287-Y1291 WeakPolarHBondContact O-CD2 3.24Å; L1287-Y1291 PolarHBondContact O-N 2.84Å; K1288-Y1291 PolarHBondContact O-N 3.03Å; K1289-Y1291 VanDerWaalsContact C-N 3.32Å; K1289-Y1291 PolarHBondContact O-N 3.36Å; Y1291-E1293 VanDerWaalsContact C-N 3.31Å; Y1291-E1293 PolarHBondContact O-N 2.76Å; Y1291-I1294 WeakPolarHBondContact O-CB 3.49Å; Y1291-I1294 PolarHBondContact O-N 3.19Å; Y1291-D1295 PolarHBondContact O-N 3.35Å |
| 1292 | N | 89.1 | Confident | 87.7 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 176.5 | -74 | 5.6 | 0 | 0 | 0 | 111.8 | K1288 K1289 I1294 D1295 E1296 | K1288-N1292 PolarHBondContact O-N 2.75Å; K1288-N1292 VanDerWaalsContact O-N 3.08Å; K1289-N1292 PolarHBondContact O-N 2.92Å; N1292-I1294 VanDerWaalsContact C-N 3.28Å; N1292-I1294 PolarHBondContact O-N 2.71Å; N1292-D1295 PolarHBondContact O-N 2.98Å; N1292-E1296 WeakPolarHBondContact O-CG 3.43Å; N1292-E1296 PolarHBondContact O-N 3.42Å |
| 1293 | E | 89.5 | Confident | 87.9 | Confident | 82 Ų | 82 | 63 Ų | 63 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.9 | -25.5 | 177.3 | -65.9 | 176.1 | -169.2 | 0 | 0 | 113.4 | K1139 K1289 I1290 Y1291 I1297 | K1139-E1293 IonicContact NZ-OE2 3.49Å; K1139-E1293 PolarHBondContact NZ-OE2 3.45Å; K1289-E1293 WeakPolarHBondContact O-CG 3.32Å; K1289-E1293 PolarHBondContact O-N 2.87Å; I1290-E1293 PolarHBondContact O-N 3.29Å; Y1291-E1293 VanDerWaalsContact C-N 3.31Å; Y1291-E1293 PolarHBondContact O-N 2.76Å; E1293-I1297 WeakPolarHBondContact O-CD1 3.47Å; E1293-I1297 VanDerWaalsContact O-CG1 3.22Å; E1293-I1297 WeakPolarHBondContact O-CG1 3.44Å; E1293-I1297 PolarHBondContact O-N 3.28Å |
| 1294 | I | 87.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.1 | -42.8 | 172.2 | -74.9 | 167.3 | 0 | 0 | 0 | 109.5 | I1136 K1139 L1140 I1143 I1290 Y1291 N1292 I1297 K1298 | I1136-I1294 HydrophobicContact CG1-CG2 4.48Å; I1136-I1294 HydrophobicContact CG2-CG2 4.37Å; K1139-I1294 HydrophobicContact CB-CD1 4.04Å; K1139-I1294 HydrophobicContact CB-CG1 4.09Å; K1139-I1294 HydrophobicContact CD-CG1 3.97Å; L1140-I1294 HydrophobicContact CD2-CD1 4.21Å; L1140-I1294 HydrophobicContact CG-CD1 4.44Å; I1143-I1294 HydrophobicContact CD1-CD1 3.74Å; I1290-I1294 HydrophobicContact CG2-CD1 4.1Å; I1290-I1294 VanDerWaalsContact O-CG1 3.28Å; I1290-I1294 WeakPolarHBondContact O-CG1 3.41Å; I1290-I1294 PolarHBondContact O-N 3.14Å; Y1291-I1294 WeakPolarHBondContact O-CB 3.49Å; Y1291-I1294 PolarHBondContact O-N 3.19Å; N1292-I1294 VanDerWaalsContact C-N 3.28Å; N1292-I1294 PolarHBondContact O-N 2.71Å; I1294-I1297 PolarHBondContact O-N 3.39Å; I1294-K1298 WeakPolarHBondContact O-CG 3.5Å; I1294-K1298 PolarHBondContact O-N 2.85Å; I1294-K1298 VanDerWaalsContact O-N 3.1Å |
| 1295 | D | 87 | Confident | 88.6 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 179.8 | -67.4 | -28.2 | 0 | 0 | 0 | 111.8 | Y1291 N1292 I1297 K1298 E1299 | Y1291-D1295 PolarHBondContact O-N 3.35Å; N1292-D1295 PolarHBondContact O-N 2.98Å; D1295-I1297 VanDerWaalsContact C-N 3.28Å; D1295-I1297 PolarHBondContact O-N 3.1Å; D1295-K1298 WeakPolarHBondContact O-CB 3.28Å; D1295-K1298 PolarHBondContact O-N 2.84Å; D1295-K1298 VanDerWaalsContact O-N 3.11Å; D1295-K1298 IonicContact OD1-NZ 2.9Å; D1295-K1298 PolarHBondContact OD1-NZ 2.66Å; D1295-E1299 PolarHBondContact O-N 2.65Å |
| 1296 | E | 89.9 | Confident | 88.8 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -35.5 | 170.6 | -74.6 | -179.5 | -163.3 | 0 | 0 | 113 | N1292 K1300 | N1292-E1296 WeakPolarHBondContact O-CG 3.43Å; N1292-E1296 PolarHBondContact O-N 3.42Å; E1296-K1300 WeakPolarHBondContact O-CB 3.15Å; E1296-K1300 VanDerWaalsContact O-CG 3.29Å; E1296-K1300 WeakPolarHBondContact O-CG 3.25Å; E1296-K1300 PolarHBondContact O-N 3.44Å |
| 1297 | I | 89.8 | Confident | 89 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 175.4 | -72 | 166.2 | 0 | 0 | 0 | 110.7 | H1132 I1136 K1139 E1293 I1294 D1295 F1301 | H1132-I1297 HydrophobicContact CB-CG2 3.94Å; I1136-I1297 HydrophobicContact CD1-CG2 3.99Å; I1136-I1297 HydrophobicContact CG1-CG2 4.1Å; K1139-I1297 HydrophobicContact CD-CD1 4.25Å; E1293-I1297 WeakPolarHBondContact O-CD1 3.47Å; E1293-I1297 VanDerWaalsContact O-CG1 3.22Å; E1293-I1297 WeakPolarHBondContact O-CG1 3.44Å; E1293-I1297 PolarHBondContact O-N 3.28Å; I1294-I1297 PolarHBondContact O-N 3.39Å; D1295-I1297 VanDerWaalsContact C-N 3.28Å; D1295-I1297 PolarHBondContact O-N 3.1Å; I1297-F1301 PolarHBondContact O-N 3.44Å |
| 1298 | K | 88.9 | Confident | 89.5 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 19% | 0.191 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 177.6 | -67.5 | 173.5 | -170.4 | 158.2 | 0 | 111.6 | F996 I1294 D1295 K1300 F1301 D1302 | F996-K1298 HydrophobicContact CB-CB 3.95Å; F996-K1298 HydrophobicContact CB-CD 4.13Å; F996-K1298 HydrophobicContact CB-CG 3.9Å; F996-K1298 HydrophobicContact CD1-CG 4.4Å; F996-K1298 HydrophobicContact CD2-CB 4.01Å; F996-K1298 HydrophobicContact CD2-CG 3.97Å; F996-K1298 HydrophobicContact CG-CB 4.16Å; F996-K1298 HydrophobicContact CG-CD 4.47Å; F996-K1298 HydrophobicContact CG-CG 3.84Å; I1294-K1298 WeakPolarHBondContact O-CG 3.5Å; I1294-K1298 PolarHBondContact O-N 2.85Å; I1294-K1298 VanDerWaalsContact O-N 3.1Å; D1295-K1298 WeakPolarHBondContact O-CB 3.28Å; D1295-K1298 PolarHBondContact O-N 2.84Å; D1295-K1298 VanDerWaalsContact O-N 3.11Å; D1295-K1298 IonicContact OD1-NZ 2.9Å; D1295-K1298 PolarHBondContact OD1-NZ 2.66Å; K1298-K1300 PolarHBondContact O-N 3.34Å; K1298-F1301 PolarHBondContact O-N 3.19Å; K1298-D1302 WeakPolarHBondContact O-CB 3.38Å; K1298-D1302 PolarHBondContact O-N 2.85Å |
| 1299 | E | 89.3 | Confident | 89.7 | Confident | 114 Ų | 114 | 60.6 Ų | 60.6 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 180 | -72.7 | -179.9 | 172.9 | 0 | 0 | 111.7 | D1295 F1301 D1302 E1303 | D1295-E1299 PolarHBondContact O-N 2.65Å; E1299-F1301 VanDerWaalsContact C-N 3.32Å; E1299-F1301 PolarHBondContact O-N 3.42Å; E1299-D1302 PolarHBondContact O-N 3.37Å; E1299-E1303 PolarHBondContact O-N 3.23Å |
| 1300 | K | 89.9 | Confident | 89.8 | Confident | 125 Ų | 125 | 58.6 Ų | 58.6 | 54% | 0.543 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 176 | -74.5 | 174.3 | -176.1 | 169.9 | 0 | 112.8 | E1296 K1298 E1304 | E1296-K1300 WeakPolarHBondContact O-CB 3.15Å; E1296-K1300 VanDerWaalsContact O-CG 3.29Å; E1296-K1300 WeakPolarHBondContact O-CG 3.25Å; E1296-K1300 PolarHBondContact O-N 3.44Å; K1298-K1300 PolarHBondContact O-N 3.34Å; K1300-E1304 PolarHBondContact O-N 2.76Å |
| 1301 | F | 90.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 176.6 | -179.9 | -98 | 0 | 0 | 0 | 112.1 | F996 V1125 K1129 H1132 I1297 K1298 E1299 E1303 E1304 L1305 | F996-F1301 HydrophobicContact CD2-CB 4.2Å; F996-F1301 AromaticContact CD2-CD1 3.63Å; F996-F1301 HydrophobicContact CD2-CD1 3.63Å; F996-F1301 HydrophobicContact CD2-CG 4.23Å; F996-F1301 HydrophobicContact CE2-CB 3.97Å; F996-F1301 AromaticContact CE2-CD1 3.48Å; F996-F1301 HydrophobicContact CE2-CD1 3.48Å; F996-F1301 VanDerWaalsContact CE2-CD1 3.48Å; F996-F1301 HydrophobicContact CE2-CE1 4.25Å; F996-F1301 AromaticContact CE2-CG 3.82Å; F996-F1301 HydrophobicContact CE2-CG 3.82Å; V1125-F1301 HydrophobicContact CG1-CE2 3.91Å; V1125-F1301 HydrophobicContact CG1-CZ 4.23Å; K1129-F1301 HydrophobicContact CB-CD2 4.34Å; K1129-F1301 HydrophobicContact CB-CE1 4.47Å; K1129-F1301 HydrophobicContact CB-CE2 3.48Å; K1129-F1301 VanDerWaalsContact CB-CE2 3.48Å; K1129-F1301 HydrophobicContact CB-CZ 3.57Å; K1129-F1301 HydrophobicContact CD-CE1 3.75Å; K1129-F1301 HydrophobicContact CD-CE2 4.31Å; K1129-F1301 HydrophobicContact CD-CZ 3.51Å; K1129-F1301 HydrophobicContact CG-CE1 4.01Å; K1129-F1301 HydrophobicContact CG-CE2 3.88Å; K1129-F1301 HydrophobicContact CG-CZ 3.59Å; H1132-F1301 AromaticContact CD2-CD2 3.86Å; I1297-F1301 PolarHBondContact O-N 3.44Å; K1298-F1301 PolarHBondContact O-N 3.19Å; E1299-F1301 VanDerWaalsContact C-N 3.32Å; E1299-F1301 PolarHBondContact O-N 3.42Å; F1301-E1303 VanDerWaalsContact C-N 3.32Å; F1301-E1303 PolarHBondContact O-N 3.11Å; F1301-E1304 PolarHBondContact O-N 2.92Å; F1301-L1305 HydrophobicContact CE1-CB 4.43Å; F1301-L1305 HydrophobicContact CE1-CD2 4.46Å; F1301-L1305 PolarHBondContact O-N 3.48Å |
| 1302 | D | 90.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 178.9 | -75.8 | 1.7 | 0 | 0 | 0 | 111.7 | A995 F996 N997 L998 K1298 E1299 L1305 T1306 | A995-D1302 VanDerWaalsContact CA-OD1 3.29Å; A995-D1302 WeakPolarHBondContact CA-OD1 3.35Å; A995-D1302 HydrophobicContact CB-CB 4.37Å; A995-D1302 WeakPolarHBondContact CB-OD1 3.19Å; F996-D1302 PolarHBondContact N-OD1 2.77Å; N997-D1302 WeakPolarHBondContact CB-OD2 3.21Å; N997-D1302 PolarHBondContact N-OD2 3.18Å; L998-D1302 HydrophobicContact CD1-CB 4.05Å; L998-D1302 HydrophobicContact CG-CB 4.36Å; L998-D1302 PolarHBondContact N-OD2 3.49Å; K1298-D1302 WeakPolarHBondContact O-CB 3.38Å; K1298-D1302 PolarHBondContact O-N 2.85Å; E1299-D1302 PolarHBondContact O-N 3.37Å; D1302-L1305 PolarHBondContact O-N 2.87Å; D1302-T1306 WeakPolarHBondContact O-CB 3.47Å; D1302-T1306 PolarHBondContact O-N 3.3Å; D1302-T1306 PolarHBondContact O-OG1 3.35Å |
| 1303 | E | 90.6 | Very high | 90.2 | Very high | 137 Ų | 137 | 59.5 Ų | 59.5 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 170 | -72.6 | 179.4 | 175.9 | 0 | 0 | 111.9 | E1299 F1301 L1305 T1306 T1307 | E1299-E1303 PolarHBondContact O-N 3.23Å; F1301-E1303 VanDerWaalsContact C-N 3.32Å; F1301-E1303 PolarHBondContact O-N 3.11Å; E1303-L1305 VanDerWaalsContact C-N 3.34Å; E1303-L1305 PolarHBondContact O-N 3.28Å; E1303-T1306 WeakPolarHBondContact O-CB 3.49Å; E1303-T1306 PolarHBondContact O-N 3.48Å; E1303-T1306 VanDerWaalsContact O-N 3.15Å; E1303-T1307 WeakPolarHBondContact O-CG2 3.25Å; E1303-T1307 PolarHBondContact O-N 2.86Å |
| 1304 | E | 90.2 | Very high | 90.2 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 176 | -72.6 | -167 | 166.1 | 0 | 0 | 111.7 | K1128 K1300 F1301 T1306 T1307 L1308 | K1128-E1304 WeakPolarHBondContact CD-OE2 3.18Å; K1128-E1304 VanDerWaalsContact NZ-CD 3.27Å; K1128-E1304 IonicContact NZ-OE1 2.89Å; K1128-E1304 PolarHBondContact NZ-OE1 3.21Å; K1128-E1304 IonicContact NZ-OE2 3.52Å; K1128-E1304 PolarHBondContact NZ-OE2 3.41Å; K1128-E1304 VanDerWaalsContact NZ-OE2 3.11Å; K1300-E1304 PolarHBondContact O-N 2.76Å; F1301-E1304 PolarHBondContact O-N 2.92Å; E1304-T1306 VanDerWaalsContact C-N 3.3Å; E1304-T1306 PolarHBondContact O-N 3.48Å; E1304-T1307 PolarHBondContact O-N 3.27Å; E1304-T1307 PolarHBondContact O-OG1 3.43Å; E1304-L1308 PolarHBondContact O-N 3.14Å |
| 1305 | L | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 176.8 | -170.3 | 68.4 | 0 | 0 | 0 | 112 | L993 K994 A995 I1000 V1002 F1301 D1302 E1303 T1307 L1308 F1309 | L993-L1305 HydrophobicContact CB-CD1 3.8Å; L993-L1305 HydrophobicContact CD1-CD1 4.39Å; K994-L1305 VanDerWaalsContact C-CD2 3.5Å; A995-L1305 HydrophobicContact CB-CD2 3.68Å; I1000-L1305 HydrophobicContact CG2-CD2 4.31Å; I1000-L1305 HydrophobicContact CG2-CG 4.38Å; V1002-L1305 HydrophobicContact CB-CD1 4.14Å; V1002-L1305 HydrophobicContact CG2-CD1 3.75Å; V1002-L1305 HydrophobicContact CG2-CG 4.12Å; F1301-L1305 HydrophobicContact CE1-CB 4.43Å; F1301-L1305 HydrophobicContact CE1-CD2 4.46Å; F1301-L1305 PolarHBondContact O-N 3.48Å; D1302-L1305 PolarHBondContact O-N 2.87Å; E1303-L1305 VanDerWaalsContact C-N 3.34Å; E1303-L1305 PolarHBondContact O-N 3.28Å; L1305-T1307 VanDerWaalsContact C-N 3.34Å; L1305-L1308 HydrophobicContact CD1-CD2 4.18Å; L1305-L1308 PolarHBondContact O-N 3.16Å; L1305-F1309 WeakPolarHBondContact O-CB 3.44Å; L1305-F1309 PolarHBondContact O-N 2.78Å |
| 1306 | T | 89.5 | Confident | 90.5 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 174.1 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | I1000 D1302 E1303 E1304 F1309 N1310 | I1000-T1306 HydrophobicContact CD1-CG2 4.33Å; I1000-T1306 WeakPolarHBondContact CD1-OG1 3.33Å; D1302-T1306 WeakPolarHBondContact O-CB 3.47Å; D1302-T1306 PolarHBondContact O-N 3.3Å; D1302-T1306 PolarHBondContact O-OG1 3.35Å; E1303-T1306 WeakPolarHBondContact O-CB 3.49Å; E1303-T1306 PolarHBondContact O-N 3.48Å; E1303-T1306 VanDerWaalsContact O-N 3.15Å; E1304-T1306 VanDerWaalsContact C-N 3.3Å; E1304-T1306 PolarHBondContact O-N 3.48Å; T1306-F1309 PolarHBondContact O-N 3.38Å; T1306-N1310 PolarHBondContact O-N 3.35Å; T1306-N1310 PolarHBondContact O-ND2 3.42Å |
| 1307 | T | 91.1 | Very high | 90.4 | Very high | 97 Ų | 97 | 59 Ų | 59 | 60% | 0.595 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | E1303 E1304 L1305 F1309 N1310 K1311 | E1303-T1307 WeakPolarHBondContact O-CG2 3.25Å; E1303-T1307 PolarHBondContact O-N 2.86Å; E1304-T1307 PolarHBondContact O-N 3.27Å; E1304-T1307 PolarHBondContact O-OG1 3.43Å; L1305-T1307 VanDerWaalsContact C-N 3.34Å; T1307-F1309 VanDerWaalsContact C-N 3.35Å; T1307-N1310 PolarHBondContact O-N 3.1Å; T1307-K1311 PolarHBondContact O-N 3.47Å; T1307-K1311 VanDerWaalsContact O-N 3.1Å |
| 1308 | L | 92.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 175 | -173.9 | 71.3 | 0 | 0 | 0 | 111.5 | L993 V1002 F1118 Q1121 F1122 V1125 E1304 L1305 K1311 W1312 | L993-L1308 HydrophobicContact CD1-CD2 4.36Å; V1002-L1308 HydrophobicContact CB-CD2 4.34Å; V1002-L1308 HydrophobicContact CG1-CD2 3.91Å; V1002-L1308 HydrophobicContact CG1-CG 4.13Å; F1118-L1308 HydrophobicContact CE2-CD1 3.88Å; F1118-L1308 HydrophobicContact CE2-CG 4.37Å; F1118-L1308 HydrophobicContact CZ-CD1 4.01Å; F1118-L1308 HydrophobicContact CZ-CG 4.17Å; Q1121-L1308 HydrophobicContact CB-CD1 4.38Å; F1122-L1308 HydrophobicContact CD2-CD2 4.2Å; V1125-L1308 HydrophobicContact CB-CD2 4.08Å; V1125-L1308 HydrophobicContact CG1-CD2 4.2Å; V1125-L1308 HydrophobicContact CG2-CD1 4.31Å; V1125-L1308 HydrophobicContact CG2-CD2 4.08Å; E1304-L1308 PolarHBondContact O-N 3.14Å; L1305-L1308 HydrophobicContact CD1-CD2 4.18Å; L1305-L1308 PolarHBondContact O-N 3.16Å; L1308-K1311 PolarHBondContact O-N 3.17Å; L1308-W1312 WeakPolarHBondContact O-CB 3.13Å; L1308-W1312 PolarHBondContact O-N 2.82Å |
| 1309 | F | 92.6 | Very high | 90.5 | Very high | 60 Ų | 60 | 56.1 Ų | 56.1 | 26% | 0.263 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 177.2 | 178.7 | -102.2 | 0 | 0 | 0 | 112.1 | I1000 V1002 L1305 T1306 T1307 K1311 W1312 L1313 | I1000-F1309 HydrophobicContact CG2-CB 3.93Å; I1000-F1309 HydrophobicContact CG2-CD2 4.01Å; I1000-F1309 HydrophobicContact CG2-CG 3.93Å; V1002-F1309 HydrophobicContact CG2-CB 3.72Å; V1002-F1309 HydrophobicContact CG2-CD2 4.02Å; V1002-F1309 HydrophobicContact CG2-CG 4.38Å; L1305-F1309 WeakPolarHBondContact O-CB 3.44Å; L1305-F1309 PolarHBondContact O-N 2.78Å; T1306-F1309 PolarHBondContact O-N 3.38Å; T1307-F1309 VanDerWaalsContact C-N 3.35Å; F1309-K1311 VanDerWaalsContact C-N 3.29Å; F1309-K1311 PolarHBondContact O-N 2.93Å; F1309-W1312 HydrophobicContact CD2-CE3 4.34Å; F1309-W1312 HydrophobicContact CE2-CE3 4.19Å; F1309-W1312 HydrophobicContact CE2-CZ3 4.26Å; F1309-W1312 WeakPolarHBondContact O-CB 3.22Å; F1309-W1312 PolarHBondContact O-N 3.5Å; F1309-W1312 VanDerWaalsContact O-N 3.17Å; F1309-L1313 HydrophobicContact CD1-CD1 4.04Å; F1309-L1313 HydrophobicContact CE1-CD1 3.57Å; F1309-L1313 HydrophobicContact CE1-CG 4.17Å; F1309-L1313 HydrophobicContact CZ-CD1 4.04Å; F1309-L1313 HydrophobicContact CZ-CD2 4.3Å; F1309-L1313 HydrophobicContact CZ-CG 4.24Å; F1309-L1313 WeakPolarHBondContact O-CG 3.41Å; F1309-L1313 PolarHBondContact O-N 3.31Å |
| 1310 | N | 90.1 | Very high | 90.6 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 174.8 | -72.4 | -25.9 | 0 | 0 | 0 | 111.6 | T1306 T1307 L1313 H1314 | T1306-N1310 PolarHBondContact O-N 3.35Å; T1306-N1310 PolarHBondContact O-ND2 3.42Å; T1307-N1310 PolarHBondContact O-N 3.1Å; N1310-L1313 WeakPolarHBondContact O-CB 3.39Å; N1310-L1313 PolarHBondContact O-N 3.4Å; N1310-H1314 PolarHBondContact O-CD2 2.8Å; N1310-H1314 PolarHBondContact O-N 2.83Å; N1310-H1314 VanDerWaalsContact O-N 3.1Å |
| 1311 | K | 90.1 | Very high | 90.5 | Very high | 85 Ų | 85 | 51 Ų | 51 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 175.3 | -164.3 | 165.7 | -172.3 | 179.8 | 0 | 112.5 | T1307 L1308 F1309 L1313 H1314 V1315 | T1307-K1311 PolarHBondContact O-N 3.47Å; T1307-K1311 VanDerWaalsContact O-N 3.1Å; L1308-K1311 PolarHBondContact O-N 3.17Å; F1309-K1311 VanDerWaalsContact C-N 3.29Å; F1309-K1311 PolarHBondContact O-N 2.93Å; K1311-L1313 VanDerWaalsContact C-N 3.32Å; K1311-L1313 PolarHBondContact O-N 3.03Å; K1311-H1314 PolarHBondContact O-N 3.36Å; K1311-V1315 VanDerWaalsContact O-CG2 3.32Å; K1311-V1315 WeakPolarHBondContact O-CG2 3.4Å; K1311-V1315 PolarHBondContact O-N 3.14Å |
| 1312 | W | 92.8 | Very high | 90.4 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 173.4 | 179.2 | 83.3 | 0 | 0 | 0 | 111.1 | V1002 S1003 F1118 L1308 F1309 H1314 V1315 Q1316 | V1002-W1312 HydrophobicContact CG1-CB 4.18Å; V1002-W1312 HydrophobicContact CG1-CG 4.19Å; S1003-W1312 PolarHBondContact O-NE1 3.28Å; F1118-W1312 AromaticContact CE1-CD1 3.58Å; F1118-W1312 HydrophobicContact CE1-CG 4.45Å; F1118-W1312 HydrophobicContact CE2-CB 3.69Å; F1118-W1312 HydrophobicContact CE2-CG 4.35Å; F1118-W1312 HydrophobicContact CZ-CB 3.59Å; F1118-W1312 AromaticContact CZ-CD1 3.47Å; F1118-W1312 VanDerWaalsContact CZ-CD1 3.47Å; F1118-W1312 AromaticContact CZ-CG 3.91Å; F1118-W1312 HydrophobicContact CZ-CG 3.91Å; L1308-W1312 WeakPolarHBondContact O-CB 3.13Å; L1308-W1312 PolarHBondContact O-N 2.82Å; F1309-W1312 HydrophobicContact CD2-CE3 4.34Å; F1309-W1312 HydrophobicContact CE2-CE3 4.19Å; F1309-W1312 HydrophobicContact CE2-CZ3 4.26Å; F1309-W1312 WeakPolarHBondContact O-CB 3.22Å; F1309-W1312 PolarHBondContact O-N 3.5Å; F1309-W1312 VanDerWaalsContact O-N 3.17Å; W1312-H1314 PolarHBondContact O-N 2.83Å; W1312-V1315 PolarHBondContact O-N 2.65Å; W1312-Q1316 HydrophobicContact CD2-CG 3.99Å; W1312-Q1316 HydrophobicContact CE3-CG 4.32Å; W1312-Q1316 HydrophobicContact CH2-CG 4.21Å; W1312-Q1316 HydrophobicContact CZ2-CG 3.87Å; W1312-Q1316 VanDerWaalsContact CZ2-NE2 3.3Å; W1312-Q1316 HydrophobicContact CZ3-CG 4.42Å; W1312-Q1316 WeakPolarHBondContact O-CB 3.42Å; W1312-Q1316 WeakPolarHBondContact O-CG 3.29Å; W1312-Q1316 PolarHBondContact O-N 3.43Å |
| 1313 | L | 89.9 | Confident | 90.5 | Very high | 71 Ų | 71 | 54 Ų | 54 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 174.1 | -70.4 | 172.7 | 0 | 0 | 0 | 111.8 | F1309 N1310 K1311 Q1316 V1317 | F1309-L1313 HydrophobicContact CD1-CD1 4.04Å; F1309-L1313 HydrophobicContact CE1-CD1 3.57Å; F1309-L1313 HydrophobicContact CE1-CG 4.17Å; F1309-L1313 HydrophobicContact CZ-CD1 4.04Å; F1309-L1313 HydrophobicContact CZ-CD2 4.3Å; F1309-L1313 HydrophobicContact CZ-CG 4.24Å; F1309-L1313 WeakPolarHBondContact O-CG 3.41Å; F1309-L1313 PolarHBondContact O-N 3.31Å; N1310-L1313 WeakPolarHBondContact O-CB 3.39Å; N1310-L1313 PolarHBondContact O-N 3.4Å; K1311-L1313 VanDerWaalsContact C-N 3.32Å; K1311-L1313 PolarHBondContact O-N 3.03Å; L1313-Q1316 PolarHBondContact O-N 3.47Å; L1313-V1317 WeakPolarHBondContact O-CG2 3.12Å; L1313-V1317 PolarHBondContact O-N 2.95Å |
| 1314 | H | 89.1 | Confident | 90.5 | Very high | 116 Ų | 116 | 50.9 Ų | 50.9 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.6 | -67.7 | -52.6 | 0 | 0 | 0 | 113.2 | H1081 N1310 K1311 W1312 V1317 A1318 | H1081-H1314 WeakPolarHBondContact NE2-CB 3.11Å; N1310-H1314 PolarHBondContact O-CD2 2.8Å; N1310-H1314 PolarHBondContact O-N 2.83Å; N1310-H1314 VanDerWaalsContact O-N 3.1Å; K1311-H1314 PolarHBondContact O-N 3.36Å; W1312-H1314 PolarHBondContact O-N 2.83Å; H1314-V1317 PolarHBondContact O-N 3.24Å; H1314-A1318 PolarHBondContact O-N 3.46Å |
| 1315 | V | 90.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | Y1005 H1081 F1118 K1311 W1312 A1318 I1319 | Y1005-V1315 HydrophobicContact CE2-CG1 3.99Å; H1081-V1315 HydrophobicContact CB-CG2 4.16Å; H1081-V1315 VanDerWaalsContact CD2-CG2 3.43Å; H1081-V1315 WeakPolarHBondContact CD2-CG2 2.94Å; F1118-V1315 HydrophobicContact CB-CG1 4.26Å; F1118-V1315 HydrophobicContact CB-CG2 4.45Å; F1118-V1315 HydrophobicContact CD2-CB 4.49Å; F1118-V1315 HydrophobicContact CD2-CG2 4.02Å; K1311-V1315 VanDerWaalsContact O-CG2 3.32Å; K1311-V1315 WeakPolarHBondContact O-CG2 3.4Å; K1311-V1315 PolarHBondContact O-N 3.14Å; W1312-V1315 PolarHBondContact O-N 2.65Å; V1315-A1318 WeakPolarHBondContact O-CB 2.92Å; V1315-A1318 PolarHBondContact O-N 3.18Å; V1315-I1319 HydrophobicContact CG1-CD1 3.78Å; V1315-I1319 HydrophobicContact CG1-CG1 4.29Å; V1315-I1319 WeakPolarHBondContact O-CG1 3.49Å; V1315-I1319 PolarHBondContact O-N 2.89Å |
| 1316 | Q | 91.9 | Very high | 90.4 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177 | -75.7 | -65.5 | 12.6 | 0 | 0 | 112 | Y1005 W1312 L1313 A1318 I1319 L1320 | Y1005-Q1316 WeakPolarHBondContact OH-CG 3.48Å; Y1005-Q1316 PolarHBondContact OH-NE2 2.91Å; Y1005-Q1316 VanDerWaalsContact OH-NE2 3.12Å; Y1005-Q1316 PolarHBondContact OH-OE1 3.37Å; W1312-Q1316 HydrophobicContact CD2-CG 3.99Å; W1312-Q1316 HydrophobicContact CE3-CG 4.32Å; W1312-Q1316 HydrophobicContact CH2-CG 4.21Å; W1312-Q1316 HydrophobicContact CZ2-CG 3.87Å; W1312-Q1316 VanDerWaalsContact CZ2-NE2 3.3Å; W1312-Q1316 HydrophobicContact CZ3-CG 4.42Å; W1312-Q1316 WeakPolarHBondContact O-CB 3.42Å; W1312-Q1316 WeakPolarHBondContact O-CG 3.29Å; W1312-Q1316 PolarHBondContact O-N 3.43Å; L1313-Q1316 PolarHBondContact O-N 3.47Å; Q1316-A1318 VanDerWaalsContact C-N 3.26Å; Q1316-A1318 PolarHBondContact O-N 3.28Å; Q1316-I1319 PolarHBondContact O-N 2.71Å; Q1316-L1320 WeakPolarHBondContact O-CB 3.45Å; Q1316-L1320 VanDerWaalsContact O-CG 3.32Å; Q1316-L1320 WeakPolarHBondContact O-CG 3.29Å; Q1316-L1320 PolarHBondContact O-N 2.96Å |
| 1317 | V | 87.7 | Confident | 90.5 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L1313 H1314 L1320 Q1321 | L1313-V1317 WeakPolarHBondContact O-CG2 3.12Å; L1313-V1317 PolarHBondContact O-N 2.95Å; H1314-V1317 PolarHBondContact O-N 3.24Å; V1317-L1320 PolarHBondContact O-N 3.06Å; V1317-Q1321 VanDerWaalsContact O-CG 3.24Å; V1317-Q1321 WeakPolarHBondContact O-CG 3.19Å; V1317-Q1321 PolarHBondContact O-N 3.26Å |
| 1318 | A | 89 | Confident | 90.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1077 M1114 H1314 V1315 Q1316 Q1321 E1322 | T1077-A1318 WeakPolarHBondContact OG1-CA 3.28Å; T1077-A1318 VanDerWaalsContact OG1-CB 3.26Å; T1077-A1318 WeakPolarHBondContact OG1-CB 3.47Å; M1114-A1318 HydrophobicContact SD-CB 4Å; H1314-A1318 PolarHBondContact O-N 3.46Å; V1315-A1318 WeakPolarHBondContact O-CB 2.92Å; V1315-A1318 PolarHBondContact O-N 3.18Å; Q1316-A1318 VanDerWaalsContact C-N 3.26Å; Q1316-A1318 PolarHBondContact O-N 3.28Å; A1318-Q1321 PolarHBondContact O-N 3.19Å; A1318-E1322 PolarHBondContact O-N 2.97Å; A1318-E1322 VanDerWaalsContact O-N 3.14Å |
| 1319 | I | 91.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 176.2 | -70.7 | 166.7 | 0 | 0 | 0 | 110.2 | Y1005 I1111 M1114 K1115 V1315 Q1316 Q1321 E1322 E1323 | Y1005-I1319 HydrophobicContact CD1-CD1 4.34Å; Y1005-I1319 HydrophobicContact CE1-CD1 3.58Å; Y1005-I1319 HydrophobicContact CE2-CD1 4.17Å; I1111-I1319 HydrophobicContact CG2-CG2 4.16Å; M1114-I1319 HydrophobicContact CE-CG1 4.08Å; K1115-I1319 HydrophobicContact CG-CD1 3.82Å; V1315-I1319 HydrophobicContact CG1-CD1 3.78Å; V1315-I1319 HydrophobicContact CG1-CG1 4.29Å; V1315-I1319 WeakPolarHBondContact O-CG1 3.49Å; V1315-I1319 PolarHBondContact O-N 2.89Å; Q1316-I1319 PolarHBondContact O-N 2.71Å; I1319-Q1321 VanDerWaalsContact C-N 3.3Å; I1319-Q1321 PolarHBondContact O-N 2.76Å; I1319-E1322 PolarHBondContact O-N 2.76Å; I1319-E1323 HydrophobicContact CG2-CG 4.2Å; I1319-E1323 WeakPolarHBondContact O-CB 3.31Å; I1319-E1323 WeakPolarHBondContact O-CG 3.49Å; I1319-E1323 PolarHBondContact O-N 3.34Å |
| 1320 | L | 91.1 | Very high | 90.4 | Very high | 106 Ų | 106 | 56 Ų | 56 | 56% | 0.555 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 179.3 | -70.5 | 171.5 | 0 | 0 | 0 | 112.1 | Q1316 V1317 E1323 L1324 | Q1316-L1320 WeakPolarHBondContact O-CB 3.45Å; Q1316-L1320 VanDerWaalsContact O-CG 3.32Å; Q1316-L1320 WeakPolarHBondContact O-CG 3.29Å; Q1316-L1320 PolarHBondContact O-N 2.96Å; V1317-L1320 PolarHBondContact O-N 3.06Å; L1320-E1323 PolarHBondContact O-N 3.27Å; L1320-L1324 WeakPolarHBondContact O-CB 3.24Å; L1320-L1324 PolarHBondContact O-N 3.49Å |
| 1321 | Q | 87.8 | Confident | 90.4 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 173.5 | -74.3 | 170.7 | 7 | 0 | 0 | 112 | T1077 V1317 A1318 I1319 L1324 K1325 Q1553 L1555 | T1077-Q1321 PolarHBondContact OG1-OE1 2.75Å; V1317-Q1321 VanDerWaalsContact O-CG 3.24Å; V1317-Q1321 WeakPolarHBondContact O-CG 3.19Å; V1317-Q1321 PolarHBondContact O-N 3.26Å; A1318-Q1321 PolarHBondContact O-N 3.19Å; I1319-Q1321 VanDerWaalsContact C-N 3.3Å; I1319-Q1321 PolarHBondContact O-N 2.76Å; Q1321-L1324 WeakPolarHBondContact O-CB 3.49Å; Q1321-L1324 PolarHBondContact O-N 3.41Å; Q1321-K1325 PolarHBondContact O-N 3.44Å; Q1321-Q1553 PolarHBondContact O-OE1 3.07Å; Q1321-L1555 VanDerWaalsContact NE2-CD1 3.31Å |
| 1322 | E | 89.2 | Confident | 90.4 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.4 | -35.3 | 178.3 | -70.5 | -56.9 | 135.6 | 0 | 0 | 113 | S1076 A1078 V1107 I1111 M1114 A1318 I1319 L1324 K1325 I1326 | S1076-E1322 WeakPolarHBondContact CB-OE1 3.25Å; S1076-E1322 PolarHBondContact OG-OE1 3.16Å; A1078-E1322 HydrophobicContact CB-CG 3.75Å; V1107-E1322 HydrophobicContact CG1-CB 3.81Å; V1107-E1322 HydrophobicContact CG1-CG 4.43Å; V1107-E1322 WeakPolarHBondContact CG1-O 3.32Å; V1107-E1322 WeakPolarHBondContact CG1-OE2 3.44Å; I1111-E1322 HydrophobicContact CD1-CB 3.87Å; I1111-E1322 HydrophobicContact CG1-CB 3.69Å; M1114-E1322 HydrophobicContact CE-CB 4.2Å; M1114-E1322 HydrophobicContact CE-CG 3.8Å; A1318-E1322 PolarHBondContact O-N 2.97Å; A1318-E1322 VanDerWaalsContact O-N 3.14Å; I1319-E1322 PolarHBondContact O-N 2.76Å; E1322-L1324 VanDerWaalsContact C-N 3.33Å; E1322-K1325 WeakPolarHBondContact O-CB 3.42Å; E1322-K1325 PolarHBondContact O-N 2.95Å; E1322-K1325 IonicContact OE1-NZ 2.82Å; E1322-K1325 PolarHBondContact OE1-NZ 3.25Å; E1322-K1325 IonicContact OE2-NZ 3.49Å; E1322-I1326 PolarHBondContact O-N 2.82Å; E1322-I1326 VanDerWaalsContact O-N 3.14Å |
| 1323 | E | 92.8 | Very high | 90.3 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 172.6 | -73.5 | -178.8 | 172.5 | 0 | 0 | 111.1 | I1111 I1319 L1320 K1325 I1326 W1327 | I1111-E1323 HydrophobicContact CD1-CG 3.73Å; I1319-E1323 HydrophobicContact CG2-CG 4.2Å; I1319-E1323 WeakPolarHBondContact O-CB 3.31Å; I1319-E1323 WeakPolarHBondContact O-CG 3.49Å; I1319-E1323 PolarHBondContact O-N 3.34Å; L1320-E1323 PolarHBondContact O-N 3.27Å; E1323-K1325 VanDerWaalsContact C-N 3.33Å; E1323-K1325 PolarHBondContact O-N 3.27Å; E1323-I1326 WeakPolarHBondContact O-CB 3.39Å; E1323-I1326 PolarHBondContact O-N 3.22Å; E1323-I1326 VanDerWaalsContact O-N 3.13Å; E1323-W1327 PolarHBondContact O-N 3.21Å |
| 1324 | L | 89.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 173.4 | -178.3 | 63.1 | 0 | 0 | 0 | 111.9 | L1320 Q1321 E1322 I1326 W1327 R1328 | L1320-L1324 WeakPolarHBondContact O-CB 3.24Å; L1320-L1324 PolarHBondContact O-N 3.49Å; Q1321-L1324 WeakPolarHBondContact O-CB 3.49Å; Q1321-L1324 PolarHBondContact O-N 3.41Å; E1322-L1324 VanDerWaalsContact C-N 3.33Å; L1324-I1326 VanDerWaalsContact C-N 3.31Å; L1324-I1326 PolarHBondContact O-N 3.06Å; L1324-W1327 PolarHBondContact O-N 3.37Å; L1324-W1327 VanDerWaalsContact O-N 3.16Å; L1324-R1328 PolarHBondContact O-N 3Å |
| 1325 | K | 88.6 | Confident | 90.3 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.4 | -66.4 | 178.9 | -179.5 | 174.4 | 0 | 112.1 | V1074 Q1321 E1322 E1323 W1327 R1328 L1329 | V1074-K1325 PolarHBondContact O-NZ 2.62Å; Q1321-K1325 PolarHBondContact O-N 3.44Å; E1322-K1325 WeakPolarHBondContact O-CB 3.42Å; E1322-K1325 PolarHBondContact O-N 2.95Å; E1322-K1325 IonicContact OE1-NZ 2.82Å; E1322-K1325 PolarHBondContact OE1-NZ 3.25Å; E1322-K1325 IonicContact OE2-NZ 3.49Å; E1323-K1325 VanDerWaalsContact C-N 3.33Å; E1323-K1325 PolarHBondContact O-N 3.27Å; K1325-W1327 VanDerWaalsContact C-N 3.33Å; K1325-W1327 PolarHBondContact O-N 3.19Å; K1325-R1328 PolarHBondContact O-N 3.3Å; K1325-L1329 WeakPolarHBondContact O-CB 3.11Å; K1325-L1329 VanDerWaalsContact O-CG 3.27Å; K1325-L1329 WeakPolarHBondContact O-CG 3.48Å; K1325-L1329 PolarHBondContact O-N 3.08Å |
| 1326 | I | 91.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 176.2 | -67.1 | 169 | 0 | 0 | 0 | 110.6 | I1104 V1107 K1108 I1111 E1322 E1323 L1324 L1329 K1330 | I1104-I1326 HydrophobicContact CG2-CG2 4.18Å; V1107-I1326 HydrophobicContact CB-CD1 4.4Å; V1107-I1326 HydrophobicContact CB-CG1 4.1Å; V1107-I1326 HydrophobicContact CG1-CD1 3.81Å; V1107-I1326 HydrophobicContact CG1-CG1 3.65Å; K1108-I1326 HydrophobicContact CG-CD1 3.65Å; I1111-I1326 HydrophobicContact CD1-CD1 3.69Å; E1322-I1326 PolarHBondContact O-N 2.82Å; E1322-I1326 VanDerWaalsContact O-N 3.14Å; E1323-I1326 WeakPolarHBondContact O-CB 3.39Å; E1323-I1326 PolarHBondContact O-N 3.22Å; E1323-I1326 VanDerWaalsContact O-N 3.13Å; L1324-I1326 VanDerWaalsContact C-N 3.31Å; L1324-I1326 PolarHBondContact O-N 3.06Å; I1326-L1329 PolarHBondContact O-N 3.46Å; I1326-K1330 HydrophobicContact CG2-CD 4.08Å; I1326-K1330 HydrophobicContact CG2-CG 4.36Å; I1326-K1330 WeakPolarHBondContact O-CB 3.4Å; I1326-K1330 WeakPolarHBondContact O-CG 3.43Å; I1326-K1330 PolarHBondContact O-N 3.19Å |
| 1327 | W | 91.7 | Very high | 90 | Very high | 162 Ų | 162 | 55.2 Ų | 55.2 | 61% | 0.614 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | -179.9 | -71.1 | 117.2 | 0 | 0 | 0 | 112.3 | E1323 L1324 K1325 L1329 K1330 W1331 | E1323-W1327 PolarHBondContact O-N 3.21Å; L1324-W1327 PolarHBondContact O-N 3.37Å; L1324-W1327 VanDerWaalsContact O-N 3.16Å; K1325-W1327 VanDerWaalsContact C-N 3.33Å; K1325-W1327 PolarHBondContact O-N 3.19Å; W1327-L1329 PolarHBondContact O-N 2.74Å; W1327-K1330 HydrophobicContact CE3-CD 4.27Å; W1327-K1330 HydrophobicContact CZ3-CD 4.42Å; W1327-K1330 PolarHBondContact O-N 2.83Å; W1327-W1331 WeakPolarHBondContact O-CB 3.31Å; W1327-W1331 PolarHBondContact O-N 3.23Å |
| 1328 | R | 89.6 | Confident | 90 | Very high | 75 Ų | 75 | 56.2 Ų | 56.2 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 175 | -70.8 | -177.1 | -179.9 | -174 | -4.5 | 111.9 | L1324 K1325 K1330 W1331 M1332 L1552 | L1324-R1328 PolarHBondContact O-N 3Å; K1325-R1328 PolarHBondContact O-N 3.3Å; R1328-K1330 PolarHBondContact O-N 3.08Å; R1328-W1331 WeakPolarHBondContact O-CB 3.32Å; R1328-W1331 PolarHBondContact O-N 3.17Å; R1328-M1332 WeakPolarHBondContact O-CG 3.16Å; R1328-M1332 PolarHBondContact O-N 3.36Å; R1328-L1552 PolarHBondContact NH1-O 3.26Å; R1328-L1552 VanDerWaalsContact NH1-O 3.15Å |
| 1329 | L | 90.9 | Very high | 90 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 178 | -68.8 | 172.2 | 0 | 0 | 0 | 112.8 | L1094 K1100 Q1103 I1104 K1325 I1326 W1327 M1332 L1333 | L1094-L1329 HydrophobicContact CD1-CD2 4.06Å; K1100-L1329 HydrophobicContact CB-CD2 4.19Å; K1100-L1329 HydrophobicContact CG-CD2 4.05Å; Q1103-L1329 HydrophobicContact CB-CD1 3.96Å; Q1103-L1329 HydrophobicContact CG-CD1 3.79Å; I1104-L1329 HydrophobicContact CD1-CB 3.83Å; I1104-L1329 HydrophobicContact CG1-CB 3.75Å; I1104-L1329 HydrophobicContact CG1-CD1 3.9Å; K1325-L1329 WeakPolarHBondContact O-CB 3.11Å; K1325-L1329 VanDerWaalsContact O-CG 3.27Å; K1325-L1329 WeakPolarHBondContact O-CG 3.48Å; K1325-L1329 PolarHBondContact O-N 3.08Å; I1326-L1329 PolarHBondContact O-N 3.46Å; W1327-L1329 PolarHBondContact O-N 2.74Å; L1329-M1332 PolarHBondContact O-N 2.86Å; L1329-L1333 VanDerWaalsContact O-CG 3.26Å; L1329-L1333 WeakPolarHBondContact O-CG 3.25Å; L1329-L1333 PolarHBondContact O-N 2.79Å |
| 1330 | K | 93.4 | Very high | 89.9 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 174.2 | -77.3 | 178.6 | 177.1 | -179.1 | 0 | 112 | I1104 I1326 W1327 R1328 L1333 L1334 | I1104-K1330 HydrophobicContact CD1-CG 4.05Å; I1326-K1330 HydrophobicContact CG2-CD 4.08Å; I1326-K1330 HydrophobicContact CG2-CG 4.36Å; I1326-K1330 WeakPolarHBondContact O-CB 3.4Å; I1326-K1330 WeakPolarHBondContact O-CG 3.43Å; I1326-K1330 PolarHBondContact O-N 3.19Å; W1327-K1330 HydrophobicContact CE3-CD 4.27Å; W1327-K1330 HydrophobicContact CZ3-CD 4.42Å; W1327-K1330 PolarHBondContact O-N 2.83Å; R1328-K1330 PolarHBondContact O-N 3.08Å; K1330-L1333 PolarHBondContact O-N 2.81Å; K1330-L1334 PolarHBondContact O-N 3.42Å |
| 1331 | W | 89.9 | Confident | 89.8 | Confident | 160 Ų | 160 | 60 Ų | 60 | 61% | 0.606 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.7 | -50.6 | 175.4 | 178.9 | -106 | 0 | 0 | 0 | 111 | W1327 R1328 L1333 L1334 T1335 | W1327-W1331 WeakPolarHBondContact O-CB 3.31Å; W1327-W1331 PolarHBondContact O-N 3.23Å; R1328-W1331 WeakPolarHBondContact O-CB 3.32Å; R1328-W1331 PolarHBondContact O-N 3.17Å; W1331-L1333 VanDerWaalsContact C-N 3.27Å; W1331-L1333 PolarHBondContact O-N 2.82Å; W1331-L1334 WeakPolarHBondContact O-CB 3.48Å; W1331-L1334 PolarHBondContact O-N 2.92Å; W1331-L1334 VanDerWaalsContact O-N 3.08Å; W1331-T1335 PolarHBondContact O-N 2.78Å; W1331-T1335 PolarHBondContact O-OG1 2.81Å; W1331-T1335 VanDerWaalsContact O-OG1 3.13Å |
| 1332 | M | 89.5 | Confident | 89.9 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -37.5 | 175.9 | -65.4 | -179.7 | 89.3 | 0 | 0 | 113 | K1100 R1328 L1329 E1336 L1550 | K1100-M1332 HydrophobicContact CD-CB 4.31Å; R1328-M1332 WeakPolarHBondContact O-CG 3.16Å; R1328-M1332 PolarHBondContact O-N 3.36Å; L1329-M1332 PolarHBondContact O-N 2.86Å; M1332-E1336 WeakPolarHBondContact O-CB 3.46Å; M1332-E1336 PolarHBondContact O-N 2.78Å; M1332-L1550 HydrophobicContact CE-CD2 3.67Å |
| 1333 | L | 90.6 | Very high | 90 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.3 | -37 | 176.6 | -74.2 | 172 | 0 | 0 | 0 | 112.6 | R1097 K1100 I1101 I1104 L1329 K1330 W1331 E1336 E1337 | R1097-L1333 HydrophobicContact CB-CD2 4.29Å; R1097-L1333 HydrophobicContact CG-CD2 3.37Å; K1100-L1333 HydrophobicContact CB-CD1 4.39Å; K1100-L1333 HydrophobicContact CB-CD2 3.96Å; K1100-L1333 HydrophobicContact CB-CG 4.16Å; K1100-L1333 HydrophobicContact CD-CD2 4.12Å; K1100-L1333 HydrophobicContact CD-CG 4.4Å; I1101-L1333 HydrophobicContact CG1-CD1 3.83Å; I1101-L1333 HydrophobicContact CG1-CD2 4.13Å; I1104-L1333 HydrophobicContact CD1-CD1 3.62Å; L1329-L1333 VanDerWaalsContact O-CG 3.26Å; L1329-L1333 WeakPolarHBondContact O-CG 3.25Å; L1329-L1333 PolarHBondContact O-N 2.79Å; K1330-L1333 PolarHBondContact O-N 2.81Å; W1331-L1333 VanDerWaalsContact C-N 3.27Å; W1331-L1333 PolarHBondContact O-N 2.82Å; L1333-E1336 PolarHBondContact O-N 3.3Å; L1333-E1337 PolarHBondContact O-N 3.26Å; L1333-E1337 VanDerWaalsContact O-N 3.09Å |
| 1334 | L | 92.5 | Very high | 89.9 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 45% | 0.45 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68 | -46.4 | 176.6 | -177.5 | 68.4 | 0 | 0 | 0 | 110.8 | K1330 W1331 E1336 E1337 E1338 | K1330-L1334 PolarHBondContact O-N 3.42Å; W1331-L1334 WeakPolarHBondContact O-CB 3.48Å; W1331-L1334 PolarHBondContact O-N 2.92Å; W1331-L1334 VanDerWaalsContact O-N 3.08Å; L1334-E1336 VanDerWaalsContact C-N 3.26Å; L1334-E1336 PolarHBondContact O-N 2.94Å; L1334-E1337 WeakPolarHBondContact O-CB 3.27Å; L1334-E1337 PolarHBondContact O-N 2.83Å; L1334-E1337 VanDerWaalsContact O-N 3.08Å; L1334-E1338 PolarHBondContact O-N 2.77Å |
| 1335 | T | 87.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -39.6 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | W1331 E1337 E1338 F1339 | W1331-T1335 PolarHBondContact O-N 2.78Å; W1331-T1335 PolarHBondContact O-OG1 2.81Å; W1331-T1335 VanDerWaalsContact O-OG1 3.13Å; T1335-E1337 VanDerWaalsContact C-N 3.34Å; T1335-E1337 PolarHBondContact O-N 3.28Å; T1335-E1338 WeakPolarHBondContact O-CB 3.49Å; T1335-E1338 PolarHBondContact O-N 3.42Å; T1335-F1339 HydrophobicContact CG2-CD2 4.19Å; T1335-F1339 HydrophobicContact CG2-CE2 3.7Å; T1335-F1339 WeakPolarHBondContact O-CD2 3.36Å; T1335-F1339 PolarHBondContact O-N 2.89Å |
| 1336 | E | 87.1 | Confident | 90.1 | Very high | 13 Ų | 13 | 72 Ų | 72 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.3 | -162.4 | -177.5 | 157.9 | 0 | 0 | 112.4 | R1097 K1100 M1332 L1333 L1334 F1339 L1340 Y1543 | R1097-E1336 WeakPolarHBondContact CB-OE1 3.45Å; K1100-E1336 IonicContact NZ-OE2 3.06Å; M1332-E1336 WeakPolarHBondContact O-CB 3.46Å; M1332-E1336 PolarHBondContact O-N 2.78Å; L1333-E1336 PolarHBondContact O-N 3.3Å; L1334-E1336 VanDerWaalsContact C-N 3.26Å; L1334-E1336 PolarHBondContact O-N 2.94Å; E1336-F1339 PolarHBondContact O-N 3.1Å; E1336-L1340 WeakPolarHBondContact O-CG 3.44Å; E1336-L1340 PolarHBondContact O-N 3.17Å; E1336-L1340 VanDerWaalsContact O-N 3.11Å; E1336-Y1543 HydrophobicContact CG-CD2 4.4Å; E1336-Y1543 HydrophobicContact CG-CE2 3.46Å; E1336-Y1543 VanDerWaalsContact CG-CE2 3.46Å; E1336-Y1543 PolarHBondContact OE1-OH 2.89Å |
| 1337 | E | 87.8 | Confident | 90.1 | Very high | 95 Ų | 95 | 75.9 Ų | 75.9 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 176.1 | -171.1 | 169.8 | -178.6 | 0 | 0 | 112.2 | L1333 L1334 T1335 L1340 N1341 | L1333-E1337 PolarHBondContact O-N 3.26Å; L1333-E1337 VanDerWaalsContact O-N 3.09Å; L1334-E1337 WeakPolarHBondContact O-CB 3.27Å; L1334-E1337 PolarHBondContact O-N 2.83Å; L1334-E1337 VanDerWaalsContact O-N 3.08Å; T1335-E1337 VanDerWaalsContact C-N 3.34Å; T1335-E1337 PolarHBondContact O-N 3.28Å; E1337-L1340 PolarHBondContact O-N 3.38Å; E1337-N1341 VanDerWaalsContact O-CG 3.27Å; E1337-N1341 PolarHBondContact O-N 3.49Å; E1337-N1341 PolarHBondContact O-ND2 3.07Å |
| 1338 | E | 87 | Confident | 90 | Very high | 95 Ų | 95 | 72.6 Ų | 72.6 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.6 | -67.5 | -177.3 | 179.5 | 0 | 0 | 112.7 | L1334 T1335 K1342 | L1334-E1338 PolarHBondContact O-N 2.77Å; T1335-E1338 WeakPolarHBondContact O-CB 3.49Å; T1335-E1338 PolarHBondContact O-N 3.42Å; E1338-K1342 WeakPolarHBondContact O-CG 3.2Å; E1338-K1342 PolarHBondContact O-N 2.89Å; E1338-K1342 VanDerWaalsContact O-N 3.09Å |
| 1339 | F | 90.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 70.8 Ų | 70.8 | 13% | 0.132 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 174.6 | -76.8 | -65.7 | 0 | 0 | 0 | 111.8 | T1335 E1336 N1341 K1342 E1343 L1539 D1542 Y1543 N1546 | T1335-F1339 HydrophobicContact CG2-CD2 4.19Å; T1335-F1339 HydrophobicContact CG2-CE2 3.7Å; T1335-F1339 WeakPolarHBondContact O-CD2 3.36Å; T1335-F1339 PolarHBondContact O-N 2.89Å; E1336-F1339 PolarHBondContact O-N 3.1Å; F1339-N1341 VanDerWaalsContact C-N 3.33Å; F1339-N1341 PolarHBondContact O-N 2.66Å; F1339-K1342 PolarHBondContact O-N 3.03Å; F1339-E1343 WeakPolarHBondContact O-CB 3.31Å; F1339-E1343 PolarHBondContact O-N 2.96Å; F1339-L1539 HydrophobicContact CD1-CD1 4.16Å; F1339-L1539 HydrophobicContact CD1-CG 4.11Å; F1339-D1542 HydrophobicContact CE1-CB 4.28Å; F1339-Y1543 HydrophobicContact CB-CD2 3.72Å; F1339-Y1543 HydrophobicContact CD2-CD2 4.39Å; F1339-Y1543 HydrophobicContact CG-CD2 4.21Å; F1339-N1546 HydrophobicContact CE2-CB 4.38Å; F1339-N1546 WeakPolarHBondContact CE2-ND2 3.41Å; F1339-N1546 WeakPolarHBondContact CZ-ND2 3.35Å |
| 1340 | L | 89.3 | Confident | 90.2 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 179 | -69.5 | 171.6 | 0 | 0 | 0 | 112.3 | E1336 E1337 E1343 Y1344 | E1336-L1340 WeakPolarHBondContact O-CG 3.44Å; E1336-L1340 PolarHBondContact O-N 3.17Å; E1336-L1340 VanDerWaalsContact O-N 3.11Å; E1337-L1340 PolarHBondContact O-N 3.38Å; L1340-E1343 PolarHBondContact O-N 3.25Å; L1340-Y1344 PolarHBondContact O-N 3.07Å |
| 1341 | N | 89.2 | Confident | 90 | Very high | 88 Ų | 88 | 71.6 Ų | 71.6 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.7 | -71.6 | -23.8 | 0 | 0 | 0 | 111.5 | E1337 F1339 E1343 Y1344 E1345 | E1337-N1341 VanDerWaalsContact O-CG 3.27Å; E1337-N1341 PolarHBondContact O-N 3.49Å; E1337-N1341 PolarHBondContact O-ND2 3.07Å; F1339-N1341 VanDerWaalsContact C-N 3.33Å; F1339-N1341 PolarHBondContact O-N 2.66Å; N1341-E1343 VanDerWaalsContact C-N 3.33Å; N1341-E1343 PolarHBondContact O-N 2.92Å; N1341-Y1344 PolarHBondContact O-N 2.96Å; N1341-E1345 WeakPolarHBondContact O-CG 3.5Å; N1341-E1345 PolarHBondContact O-N 3.42Å |
| 1342 | K | 89.5 | Confident | 89.9 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 174.9 | -72.1 | 172.7 | -176.4 | 168.8 | 0 | 112.3 | E1338 F1339 E1345 L1346 L1539 | E1338-K1342 WeakPolarHBondContact O-CG 3.2Å; E1338-K1342 PolarHBondContact O-N 2.89Å; E1338-K1342 VanDerWaalsContact O-N 3.09Å; F1339-K1342 PolarHBondContact O-N 3.03Å; K1342-E1345 PolarHBondContact O-N 3.42Å; K1342-L1346 WeakPolarHBondContact O-CB 3.13Å; K1342-L1346 WeakPolarHBondContact O-CG 3.44Å; K1342-L1346 PolarHBondContact O-N 2.73Å; K1342-L1539 HydrophobicContact CB-CD1 3.67Å; K1342-L1539 HydrophobicContact CB-CD2 4.32Å; K1342-L1539 HydrophobicContact CD-CD1 3.98Å; K1342-L1539 HydrophobicContact CG-CD1 4.46Å |
| 1343 | E | 90.6 | Very high | 90 | Very high | 39 Ų | 39 | 68.5 Ų | 68.5 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.6 | -165.5 | -167.1 | 161.3 | 0 | 0 | 111.2 | F1339 L1340 N1341 K1347 L1536 L1539 | F1339-E1343 WeakPolarHBondContact O-CB 3.31Å; F1339-E1343 PolarHBondContact O-N 2.96Å; L1340-E1343 PolarHBondContact O-N 3.25Å; N1341-E1343 VanDerWaalsContact C-N 3.33Å; N1341-E1343 PolarHBondContact O-N 2.92Å; E1343-K1347 HydrophobicContact CG-CD 4.47Å; E1343-K1347 WeakPolarHBondContact O-CB 3.45Å; E1343-K1347 WeakPolarHBondContact O-CG 3Å; E1343-K1347 PolarHBondContact O-N 2.99Å; E1343-K1347 WeakPolarHBondContact OE1-CE 3.16Å; E1343-K1347 IonicContact OE1-NZ 3.2Å; E1343-K1347 PolarHBondContact OE1-NZ 3.31Å; E1343-L1536 HydrophobicContact CB-CD1 4.46Å; E1343-L1536 HydrophobicContact CG-CD1 3.58Å; E1343-L1539 HydrophobicContact CB-CD2 3.72Å; E1343-L1539 HydrophobicContact CG-CD2 4.27Å |
| 1344 | Y | 91.4 | Very high | 90 | Very high | 152 Ų | 152 | 73.9 Ų | 73.9 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -48.8 | 177.2 | -179.5 | -89.9 | 0 | 0 | 0 | 111.9 | L1340 N1341 L1346 K1347 E1348 | L1340-Y1344 PolarHBondContact O-N 3.07Å; N1341-Y1344 PolarHBondContact O-N 2.96Å; Y1344-L1346 PolarHBondContact O-N 2.97Å; Y1344-K1347 PolarHBondContact O-N 3.23Å; Y1344-E1348 WeakPolarHBondContact CE1-OE2 3.18Å; Y1344-E1348 PolarHBondContact O-N 3.48Å |
| 1345 | E | 89.6 | Confident | 89.9 | Confident | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.9 | -43.5 | 178.2 | -72 | 176.9 | -176.1 | 0 | 0 | 112.4 | N1341 K1342 E1348 S1349 | N1341-E1345 WeakPolarHBondContact O-CG 3.5Å; N1341-E1345 PolarHBondContact O-N 3.42Å; K1342-E1345 PolarHBondContact O-N 3.42Å; E1345-E1348 PolarHBondContact O-N 3.11Å; E1345-S1349 WeakPolarHBondContact O-CB 3.3Å; E1345-S1349 PolarHBondContact O-N 3.2Å |
| 1346 | L | 92.4 | Very high | 89.9 | Confident | 23 Ų | 23 | 80.7 Ų | 80.7 | 12% | 0.12 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 177.4 | -74.3 | 172.8 | 0 | 0 | 0 | 111.9 | K1342 Y1344 S1349 I1350 Q1535 L1536 | K1342-L1346 WeakPolarHBondContact O-CB 3.13Å; K1342-L1346 WeakPolarHBondContact O-CG 3.44Å; K1342-L1346 PolarHBondContact O-N 2.73Å; Y1344-L1346 PolarHBondContact O-N 2.97Å; L1346-S1349 PolarHBondContact O-N 3.45Å; L1346-I1350 WeakPolarHBondContact O-CD1 3.48Å; L1346-I1350 VanDerWaalsContact O-CG1 3.23Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.42Å; L1346-I1350 PolarHBondContact O-N 2.82Å; L1346-Q1535 HydrophobicContact CD1-CB 4.34Å; L1346-Q1535 HydrophobicContact CD2-CB 4.46Å; L1346-L1536 HydrophobicContact CB-CD1 4.19Å; L1346-L1536 HydrophobicContact CD1-CB 4.44Å |
| 1347 | K | 91.5 | Very high | 90 | Very high | 95 Ų | 95 | 81.4 Ų | 81.4 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.8 | -77.7 | 177.9 | -178.1 | 171.9 | 0 | 112 | E1343 Y1344 I1350 N1351 L1536 | E1343-K1347 HydrophobicContact CG-CD 4.47Å; E1343-K1347 WeakPolarHBondContact O-CB 3.45Å; E1343-K1347 WeakPolarHBondContact O-CG 3Å; E1343-K1347 PolarHBondContact O-N 2.99Å; E1343-K1347 WeakPolarHBondContact OE1-CE 3.16Å; E1343-K1347 IonicContact OE1-NZ 3.2Å; E1343-K1347 PolarHBondContact OE1-NZ 3.31Å; Y1344-K1347 PolarHBondContact O-N 3.23Å; K1347-I1350 PolarHBondContact O-N 2.93Å; K1347-N1351 VanDerWaalsContact O-CG 3.31Å; K1347-N1351 PolarHBondContact O-N 3.4Å; K1347-N1351 PolarHBondContact O-ND2 2.95Å; K1347-L1536 HydrophobicContact CG-CD1 4.25Å; K1347-L1536 HydrophobicContact CG-CD2 3.94Å |
| 1348 | E | 90.8 | Very high | 90.1 | Very high | 93 Ų | 93 | 79.3 Ų | 79.3 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176.3 | -172 | 170 | -166.9 | 0 | 0 | 111.2 | Y1344 E1345 I1350 N1351 E1352 | Y1344-E1348 WeakPolarHBondContact CE1-OE2 3.18Å; Y1344-E1348 PolarHBondContact O-N 3.48Å; E1345-E1348 PolarHBondContact O-N 3.11Å; E1348-I1350 PolarHBondContact O-N 3.45Å; E1348-N1351 WeakPolarHBondContact O-CB 3.36Å; E1348-N1351 PolarHBondContact O-N 2.99Å; E1348-N1351 VanDerWaalsContact O-N 3.12Å; E1348-E1352 PolarHBondContact O-N 2.88Å |
| 1349 | S | 90.4 | Very high | 90 | Very high | 37 Ų | 37 | 79.7 Ų | 79.7 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.2 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | E1345 L1346 N1351 E1352 L1353 | E1345-S1349 WeakPolarHBondContact O-CB 3.3Å; E1345-S1349 PolarHBondContact O-N 3.2Å; L1346-S1349 PolarHBondContact O-N 3.45Å; S1349-N1351 VanDerWaalsContact C-N 3.34Å; S1349-N1351 PolarHBondContact O-N 3.07Å; S1349-E1352 PolarHBondContact O-N 3.32Å; S1349-L1353 WeakPolarHBondContact O-CG 3.47Å; S1349-L1353 PolarHBondContact O-N 3.42Å |
| 1350 | I | 92.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 79.9 Ų | 79.9 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.2 | -70.6 | 164.4 | 0 | 0 | 0 | 110.7 | L1346 K1347 E1348 E1352 L1353 Y1354 R1532 K1533 L1536 | L1346-I1350 WeakPolarHBondContact O-CD1 3.48Å; L1346-I1350 VanDerWaalsContact O-CG1 3.23Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.42Å; L1346-I1350 PolarHBondContact O-N 2.82Å; K1347-I1350 PolarHBondContact O-N 2.93Å; E1348-I1350 PolarHBondContact O-N 3.45Å; I1350-E1352 PolarHBondContact O-N 2.81Å; I1350-L1353 PolarHBondContact O-N 3.11Å; I1350-Y1354 WeakPolarHBondContact O-CB 3.47Å; I1350-Y1354 PolarHBondContact O-N 2.81Å; I1350-R1532 HydrophobicContact CD1-CB 4.22Å; I1350-R1532 HydrophobicContact CG1-CB 3.7Å; I1350-K1533 HydrophobicContact CD1-CG 4.06Å; I1350-L1536 HydrophobicContact CD1-CB 4.36Å; I1350-L1536 HydrophobicContact CD1-CD2 3.92Å |
| 1351 | N | 89.2 | Confident | 89.8 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 178.4 | -74.4 | -27.4 | 0 | 0 | 0 | 112.5 | K1347 E1348 S1349 Y1354 K1355 | K1347-N1351 VanDerWaalsContact O-CG 3.31Å; K1347-N1351 PolarHBondContact O-N 3.4Å; K1347-N1351 PolarHBondContact O-ND2 2.95Å; E1348-N1351 WeakPolarHBondContact O-CB 3.36Å; E1348-N1351 PolarHBondContact O-N 2.99Å; E1348-N1351 VanDerWaalsContact O-N 3.12Å; S1349-N1351 VanDerWaalsContact C-N 3.34Å; S1349-N1351 PolarHBondContact O-N 3.07Å; N1351-Y1354 PolarHBondContact O-N 3.38Å; N1351-K1355 WeakPolarHBondContact O-CG 3.19Å; N1351-K1355 PolarHBondContact O-N 3.26Å; N1351-K1355 VanDerWaalsContact O-N 3.12Å |
| 1352 | E | 89.6 | Confident | 89.7 | Confident | 97 Ų | 97 | 79.7 Ų | 79.7 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.1 | -69.5 | -165.2 | 154.9 | 0 | 0 | 112.8 | E1348 S1349 I1350 Y1354 K1355 K1356 | E1348-E1352 PolarHBondContact O-N 2.88Å; S1349-E1352 PolarHBondContact O-N 3.32Å; I1350-E1352 PolarHBondContact O-N 2.81Å; E1352-Y1354 VanDerWaalsContact C-N 3.33Å; E1352-K1355 PolarHBondContact O-N 2.99Å; E1352-K1356 WeakPolarHBondContact O-CG 3.42Å; E1352-K1356 PolarHBondContact O-N 3.15Å; E1352-K1356 VanDerWaalsContact O-N 3.08Å |
| 1353 | L | 91.5 | Very high | 89.6 | Confident | 21 Ų | 21 | 78 Ų | 78 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.1 | -70.1 | 173.8 | 0 | 0 | 0 | 111 | S1349 I1350 K1355 K1356 E1357 L1525 L1529 R1532 | S1349-L1353 WeakPolarHBondContact O-CG 3.47Å; S1349-L1353 PolarHBondContact O-N 3.42Å; I1350-L1353 PolarHBondContact O-N 3.11Å; L1353-K1355 VanDerWaalsContact C-N 3.34Å; L1353-K1355 PolarHBondContact O-N 2.66Å; L1353-K1356 WeakPolarHBondContact O-CB 3.46Å; L1353-K1356 PolarHBondContact O-N 2.95Å; L1353-K1356 VanDerWaalsContact O-N 3.15Å; L1353-E1357 PolarHBondContact O-N 3.49Å; L1353-L1525 HydrophobicContact CD2-CD1 3.71Å; L1353-L1529 HydrophobicContact CB-CD1 4.19Å; L1353-R1532 HydrophobicContact CD1-CG 4.13Å |
| 1354 | Y | 90.5 | Very high | 89.3 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.8 | -168.8 | -107.1 | 0 | 0 | 0 | 112.4 | I1350 N1351 E1352 K1356 E1357 V1358 L1529 | I1350-Y1354 WeakPolarHBondContact O-CB 3.47Å; I1350-Y1354 PolarHBondContact O-N 2.81Å; N1351-Y1354 PolarHBondContact O-N 3.38Å; E1352-Y1354 VanDerWaalsContact C-N 3.33Å; Y1354-K1356 PolarHBondContact O-N 3.42Å; Y1354-E1357 WeakPolarHBondContact O-CB 3.44Å; Y1354-E1357 PolarHBondContact O-N 2.87Å; Y1354-V1358 HydrophobicContact CD1-CG2 4.49Å; Y1354-V1358 HydrophobicContact CE1-CG2 4.23Å; Y1354-V1358 WeakPolarHBondContact O-CG2 3.44Å; Y1354-V1358 PolarHBondContact O-N 3Å; Y1354-V1358 VanDerWaalsContact O-N 3.07Å; Y1354-L1529 HydrophobicContact CD2-CD1 4.38Å |
| 1355 | K | 89.5 | Confident | 89.1 | Confident | 152 Ų | 152 | 75.8 Ų | 75.8 | 66% | 0.661 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 173.7 | -71.1 | 171.7 | -175.8 | 173.3 | 0 | 112.3 | N1351 E1352 L1353 E1357 V1358 Q1359 | N1351-K1355 WeakPolarHBondContact O-CG 3.19Å; N1351-K1355 PolarHBondContact O-N 3.26Å; N1351-K1355 VanDerWaalsContact O-N 3.12Å; E1352-K1355 PolarHBondContact O-N 2.99Å; L1353-K1355 VanDerWaalsContact C-N 3.34Å; L1353-K1355 PolarHBondContact O-N 2.66Å; K1355-E1357 VanDerWaalsContact C-N 3.34Å; K1355-V1358 PolarHBondContact O-N 3.42Å; K1355-Q1359 PolarHBondContact O-N 3.21Å; K1355-Q1359 VanDerWaalsContact O-N 3.14Å |
| 1356 | K | 87.5 | Confident | 88.9 | Confident | 112 Ų | 112 | 73.8 Ų | 73.8 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.4 | -70.8 | 173 | -176 | 168.9 | 0 | 111.4 | E1352 L1353 Y1354 Q1359 I1360 L1525 | E1352-K1356 WeakPolarHBondContact O-CG 3.42Å; E1352-K1356 PolarHBondContact O-N 3.15Å; E1352-K1356 VanDerWaalsContact O-N 3.08Å; L1353-K1356 WeakPolarHBondContact O-CB 3.46Å; L1353-K1356 PolarHBondContact O-N 2.95Å; L1353-K1356 VanDerWaalsContact O-N 3.15Å; Y1354-K1356 PolarHBondContact O-N 3.42Å; K1356-Q1359 PolarHBondContact O-N 3.17Å; K1356-I1360 WeakPolarHBondContact O-CG1 3.49Å; K1356-I1360 PolarHBondContact O-N 2.65Å; K1356-L1525 HydrophobicContact CB-CD1 4.36Å; K1356-L1525 HydrophobicContact CB-CD2 4.06Å |
| 1357 | E | 90.1 | Very high | 88.5 | Confident | 28 Ų | 28 | 73 Ų | 73 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 176.7 | -168.9 | -165.9 | 136.3 | 0 | 0 | 110.9 | L1353 Y1354 K1355 Q1359 I1360 T1361 L1525 H1526 L1529 | L1353-E1357 PolarHBondContact O-N 3.49Å; Y1354-E1357 WeakPolarHBondContact O-CB 3.44Å; Y1354-E1357 PolarHBondContact O-N 2.87Å; K1355-E1357 VanDerWaalsContact C-N 3.34Å; E1357-Q1359 PolarHBondContact O-N 2.82Å; E1357-I1360 PolarHBondContact O-N 2.77Å; E1357-T1361 WeakPolarHBondContact O-CB 3.48Å; E1357-T1361 VanDerWaalsContact O-CG2 3.3Å; E1357-T1361 WeakPolarHBondContact O-CG2 3.41Å; E1357-T1361 PolarHBondContact O-N 3.37Å; E1357-T1361 PolarHBondContact O-OG1 2.88Å; E1357-L1525 HydrophobicContact CB-CD2 3.6Å; E1357-L1525 HydrophobicContact CG-CD2 4.25Å; E1357-L1525 VanDerWaalsContact N-CD2 3.3Å; E1357-H1526 IonicContact OE1-CE1 2.71Å; E1357-H1526 PolarHBondContact OE1-CE1 3.19Å; E1357-H1526 IonicContact OE1-ND1 2.86Å; E1357-H1526 IonicContact OE1-NE2 2.69Å; E1357-H1526 IonicContact OE2-CE1 3.34Å; E1357-H1526 IonicContact OE2-ND1 3.32Å; E1357-L1529 WeakPolarHBondContact OE2-CD1 3.33Å |
| 1358 | V | 89.1 | Confident | 88.3 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -31.9 | 176.4 | 174 | 0 | 0 | 0 | 0 | 112.2 | Y1354 K1355 T1361 K1362 | Y1354-V1358 HydrophobicContact CD1-CG2 4.49Å; Y1354-V1358 HydrophobicContact CE1-CG2 4.23Å; Y1354-V1358 WeakPolarHBondContact O-CG2 3.44Å; Y1354-V1358 PolarHBondContact O-N 3Å; Y1354-V1358 VanDerWaalsContact O-N 3.07Å; K1355-V1358 PolarHBondContact O-N 3.42Å; V1358-T1361 VanDerWaalsContact C-OG1 3.23Å; V1358-T1361 VanDerWaalsContact CA-OG1 3.24Å; V1358-T1361 WeakPolarHBondContact CA-OG1 3.35Å; V1358-T1361 PolarHBondContact O-OG1 3.49Å; V1358-K1362 HydrophobicContact CG1-CD 4.42Å; V1358-K1362 WeakPolarHBondContact O-CD 3.46Å; V1358-K1362 VanDerWaalsContact O-CG 3.27Å; V1358-K1362 WeakPolarHBondContact O-CG 3.36Å; V1358-K1362 PolarHBondContact O-N 3.41Å |
| 1359 | Q | 86.2 | Confident | 88.1 | Confident | 103 Ų | 103 | 71.5 Ų | 71.5 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -76.5 | -42.3 | 177.6 | -171.8 | 60.8 | 38.9 | 0 | 0 | 112.5 | K1355 K1356 E1357 N1363 | K1355-Q1359 PolarHBondContact O-N 3.21Å; K1355-Q1359 VanDerWaalsContact O-N 3.14Å; K1356-Q1359 PolarHBondContact O-N 3.17Å; E1357-Q1359 PolarHBondContact O-N 2.82Å; Q1359-N1363 PolarHBondContact NE2-OD1 3.38Å; Q1359-N1363 PolarHBondContact O-N 3.16Å; Q1359-N1363 VanDerWaalsContact O-N 3.1Å; Q1359-N1363 PolarHBondContact O-ND2 3.06Å; Q1359-N1363 PolarHBondContact O-OD1 3.43Å |
| 1360 | I | 87.7 | Confident | 87.9 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 179.7 | -66.8 | 173.9 | 0 | 0 | 0 | 110.4 | K1356 E1357 K1362 N1363 L1364 L1522 L1525 | K1356-I1360 WeakPolarHBondContact O-CG1 3.49Å; K1356-I1360 PolarHBondContact O-N 2.65Å; E1357-I1360 PolarHBondContact O-N 2.77Å; I1360-K1362 PolarHBondContact O-N 3.33Å; I1360-N1363 PolarHBondContact O-N 2.76Å; I1360-L1364 VanDerWaalsContact O-CB 3.32Å; I1360-L1364 WeakPolarHBondContact O-CB 3.44Å; I1360-L1364 PolarHBondContact O-N 3.42Å; I1360-L1522 HydrophobicContact CG2-CB 4.03Å; I1360-L1522 HydrophobicContact CG2-CD1 4.3Å; I1360-L1522 HydrophobicContact CG2-CG 4.25Å; I1360-L1525 HydrophobicContact CD1-CD2 4.38Å |
| 1361 | T | 87.7 | Confident | 87.5 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.8 | -49.9 | 175.8 | 45.1 | 0 | 0 | 0 | 0 | 111.8 | E1357 V1358 N1363 L1364 E1365 L1522 | E1357-T1361 WeakPolarHBondContact O-CB 3.48Å; E1357-T1361 VanDerWaalsContact O-CG2 3.3Å; E1357-T1361 WeakPolarHBondContact O-CG2 3.41Å; E1357-T1361 PolarHBondContact O-N 3.37Å; E1357-T1361 PolarHBondContact O-OG1 2.88Å; V1358-T1361 VanDerWaalsContact C-OG1 3.23Å; V1358-T1361 VanDerWaalsContact CA-OG1 3.24Å; V1358-T1361 WeakPolarHBondContact CA-OG1 3.35Å; V1358-T1361 PolarHBondContact O-OG1 3.49Å; T1361-N1363 PolarHBondContact O-N 2.89Å; T1361-L1364 WeakPolarHBondContact O-CB 3.32Å; T1361-L1364 PolarHBondContact O-N 2.86Å; T1361-L1364 VanDerWaalsContact O-N 3.11Å; T1361-E1365 WeakPolarHBondContact O-CG 3.49Å; T1361-E1365 PolarHBondContact O-N 2.96Å; T1361-L1522 HydrophobicContact CG2-CD1 3.66Å; T1361-L1522 HydrophobicContact CG2-CG 4.35Å |
| 1362 | K | 87.4 | Confident | 87.3 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58 | -45.1 | 174.5 | -73.9 | 175.3 | -178 | 179.6 | 0 | 113 | V1358 I1360 L1364 E1365 T1366 | V1358-K1362 HydrophobicContact CG1-CD 4.42Å; V1358-K1362 WeakPolarHBondContact O-CD 3.46Å; V1358-K1362 VanDerWaalsContact O-CG 3.27Å; V1358-K1362 WeakPolarHBondContact O-CG 3.36Å; V1358-K1362 PolarHBondContact O-N 3.41Å; I1360-K1362 PolarHBondContact O-N 3.33Å; K1362-L1364 PolarHBondContact O-N 2.97Å; K1362-E1365 PolarHBondContact O-N 2.92Å; K1362-T1366 WeakPolarHBondContact O-CG2 3.25Å; K1362-T1366 PolarHBondContact O-N 3.09Å; K1362-T1366 VanDerWaalsContact O-N 3.14Å |
| 1363 | N | 85.7 | Confident | 87.2 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 177.3 | -68 | -11.5 | 0 | 0 | 0 | 111.4 | Q1359 I1360 T1361 T1366 A1367 | Q1359-N1363 PolarHBondContact NE2-OD1 3.38Å; Q1359-N1363 PolarHBondContact O-N 3.16Å; Q1359-N1363 VanDerWaalsContact O-N 3.1Å; Q1359-N1363 PolarHBondContact O-ND2 3.06Å; Q1359-N1363 PolarHBondContact O-OD1 3.43Å; I1360-N1363 PolarHBondContact O-N 2.76Å; T1361-N1363 PolarHBondContact O-N 2.89Å; N1363-T1366 PolarHBondContact O-N 3.27Å; N1363-T1366 PolarHBondContact O-OG1 2.93Å; N1363-A1367 WeakPolarHBondContact O-CB 3.5Å; N1363-A1367 PolarHBondContact O-N 2.86Å |
| 1364 | L | 85.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.9 | -38.8 | -179.2 | -161 | 138.7 | 0 | 0 | 0 | 112 | I1360 T1361 K1362 A1367 K1368 R1518 D1519 L1522 | I1360-L1364 VanDerWaalsContact O-CB 3.32Å; I1360-L1364 WeakPolarHBondContact O-CB 3.44Å; I1360-L1364 PolarHBondContact O-N 3.42Å; T1361-L1364 WeakPolarHBondContact O-CB 3.32Å; T1361-L1364 PolarHBondContact O-N 2.86Å; T1361-L1364 VanDerWaalsContact O-N 3.11Å; K1362-L1364 PolarHBondContact O-N 2.97Å; L1364-A1367 PolarHBondContact O-N 3.41Å; L1364-K1368 HydrophobicContact CD2-CD 3.76Å; L1364-K1368 HydrophobicContact CD2-CG 4.34Å; L1364-K1368 WeakPolarHBondContact O-CG 3.14Å; L1364-K1368 PolarHBondContact O-N 2.77Å; L1364-R1518 HydrophobicContact CD1-CB 3.74Å; L1364-D1519 HydrophobicContact CD1-CB 4.14Å; L1364-D1519 VanDerWaalsContact CD1-CG 3.48Å; L1364-D1519 WeakPolarHBondContact CD1-OD1 3.48Å; L1364-L1522 HydrophobicContact CD1-CD1 4.36Å |
| 1365 | E | 85.9 | Confident | 86.7 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 62% | 0.621 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.9 | -46.8 | 170.5 | -71.1 | 170.9 | -179.9 | 0 | 0 | 111.4 | T1361 K1362 A1367 K1368 S1369 | T1361-E1365 WeakPolarHBondContact O-CG 3.49Å; T1361-E1365 PolarHBondContact O-N 2.96Å; K1362-E1365 PolarHBondContact O-N 2.92Å; E1365-A1367 PolarHBondContact O-N 2.82Å; E1365-K1368 PolarHBondContact O-N 3.36Å; E1365-S1369 PolarHBondContact O-N 3.07Å; E1365-S1369 VanDerWaalsContact O-N 3.17Å |
| 1366 | T | 85.3 | Confident | 86.6 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | K1362 N1363 S1369 I1370 | K1362-T1366 WeakPolarHBondContact O-CG2 3.25Å; K1362-T1366 PolarHBondContact O-N 3.09Å; K1362-T1366 VanDerWaalsContact O-N 3.14Å; N1363-T1366 PolarHBondContact O-N 3.27Å; N1363-T1366 PolarHBondContact O-OG1 2.93Å; T1366-S1369 PolarHBondContact O-N 3.45Å; T1366-I1370 WeakPolarHBondContact O-CG1 3.38Å; T1366-I1370 PolarHBondContact O-N 3.46Å |
| 1367 | A | 85.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1363 L1364 E1365 S1369 I1370 L1371 F1514 I1515 | N1363-A1367 WeakPolarHBondContact O-CB 3.5Å; N1363-A1367 PolarHBondContact O-N 2.86Å; L1364-A1367 PolarHBondContact O-N 3.41Å; E1365-A1367 PolarHBondContact O-N 2.82Å; A1367-S1369 VanDerWaalsContact C-N 3.34Å; A1367-I1370 PolarHBondContact O-N 3.41Å; A1367-L1371 PolarHBondContact O-N 3.09Å; A1367-F1514 HydrophobicContact CB-CD1 3.97Å; A1367-F1514 HydrophobicContact CB-CE1 3.86Å; A1367-I1515 HydrophobicContact CB-CD1 4.3Å; A1367-I1515 HydrophobicContact CB-CG1 3.82Å |
| 1368 | K | 87.3 | Confident | 86.2 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.3 | -77.7 | 177.6 | 174.4 | 166.6 | 0 | 111.4 | L1364 E1365 I1370 L1371 D1372 I1515 | L1364-K1368 HydrophobicContact CD2-CD 3.76Å; L1364-K1368 HydrophobicContact CD2-CG 4.34Å; L1364-K1368 WeakPolarHBondContact O-CG 3.14Å; L1364-K1368 PolarHBondContact O-N 2.77Å; E1365-K1368 PolarHBondContact O-N 3.36Å; K1368-I1370 VanDerWaalsContact C-N 3.3Å; K1368-I1370 PolarHBondContact O-N 2.93Å; K1368-L1371 WeakPolarHBondContact O-CB 3.29Å; K1368-L1371 PolarHBondContact O-N 3.39Å; K1368-L1371 VanDerWaalsContact O-N 3.15Å; K1368-D1372 PolarHBondContact O-N 2.84Å; K1368-I1515 HydrophobicContact CG-CD1 4.07Å; K1368-I1515 HydrophobicContact CG-CG2 4.35Å |
| 1369 | S | 85.6 | Confident | 86.2 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | E1365 T1366 A1367 Q1373 | E1365-S1369 PolarHBondContact O-N 3.07Å; E1365-S1369 VanDerWaalsContact O-N 3.17Å; T1366-S1369 PolarHBondContact O-N 3.45Å; A1367-S1369 VanDerWaalsContact C-N 3.34Å; S1369-Q1373 WeakPolarHBondContact O-CG 3.43Å; S1369-Q1373 PolarHBondContact O-N 3.35Å |
| 1370 | I | 85.6 | Confident | 86.3 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 28% | 0.277 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.8 | -36.1 | 176.1 | -62.3 | 166.1 | 0 | 0 | 0 | 111 | T1366 A1367 K1368 D1372 Q1373 I1374 Y1443 I1511 | T1366-I1370 WeakPolarHBondContact O-CG1 3.38Å; T1366-I1370 PolarHBondContact O-N 3.46Å; A1367-I1370 PolarHBondContact O-N 3.41Å; K1368-I1370 VanDerWaalsContact C-N 3.3Å; K1368-I1370 PolarHBondContact O-N 2.93Å; I1370-D1372 VanDerWaalsContact C-N 3.34Å; I1370-Q1373 PolarHBondContact O-N 3.47Å; I1370-I1374 HydrophobicContact CG2-CD1 3.83Å; I1370-I1374 PolarHBondContact O-N 2.82Å; I1370-I1374 VanDerWaalsContact O-N 3.09Å; I1370-Y1443 HydrophobicContact CD1-CE2 4.42Å; I1370-I1511 HydrophobicContact CG2-CD1 4.03Å |
| 1371 | L | 85.4 | Confident | 86.3 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 176.3 | 178.5 | 69.5 | 0 | 0 | 0 | 111 | A1367 K1368 Q1373 I1374 Q1375 L1508 I1511 T1512 I1515 | A1367-L1371 PolarHBondContact O-N 3.09Å; K1368-L1371 WeakPolarHBondContact O-CB 3.29Å; K1368-L1371 PolarHBondContact O-N 3.39Å; K1368-L1371 VanDerWaalsContact O-N 3.15Å; L1371-Q1373 VanDerWaalsContact C-N 3.3Å; L1371-Q1373 PolarHBondContact O-N 2.99Å; L1371-I1374 PolarHBondContact O-N 3.3Å; L1371-Q1375 WeakPolarHBondContact O-CB 3.44Å; L1371-Q1375 PolarHBondContact O-N 3.43Å; L1371-L1508 HydrophobicContact CD1-CD1 3.49Å; L1371-L1508 VanDerWaalsContact CD1-CD1 3.49Å; L1371-L1508 HydrophobicContact CD1-CG 4.35Å; L1371-L1508 HydrophobicContact CG-CD1 4.47Å; L1371-I1511 HydrophobicContact CB-CG2 3.88Å; L1371-I1511 HydrophobicContact CD1-CB 4.35Å; L1371-I1511 HydrophobicContact CD1-CG2 3.93Å; L1371-T1512 HydrophobicContact CD1-CG2 3.38Å; L1371-T1512 HydrophobicContact CD2-CG2 3.98Å; L1371-T1512 HydrophobicContact CG-CG2 4.33Å; L1371-I1515 HydrophobicContact CB-CD1 3.7Å; L1371-I1515 HydrophobicContact CD2-CD1 3.67Å; L1371-I1515 HydrophobicContact CG-CD1 4.18Å |
| 1372 | D | 85.4 | Confident | 86.2 | Confident | 91 Ų | 91 | 71.1 Ų | 71.1 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | -180 | -63.8 | -22.3 | 0 | 0 | 0 | 110.8 | K1368 I1370 I1374 Q1375 E1376 | K1368-D1372 PolarHBondContact O-N 2.84Å; I1370-D1372 VanDerWaalsContact C-N 3.34Å; D1372-I1374 PolarHBondContact O-N 3.31Å; D1372-Q1375 PolarHBondContact O-N 2.94Å; D1372-E1376 WeakPolarHBondContact O-CG 3.1Å; D1372-E1376 PolarHBondContact O-N 3.5Å |
| 1373 | Q | 85.7 | Confident | 86.2 | Confident | 110 Ų | 110 | 68 Ų | 68 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.8 | -70.7 | 175.2 | -4.1 | 0 | 0 | 112.8 | S1369 I1370 L1371 E1376 E1377 | S1369-Q1373 WeakPolarHBondContact O-CG 3.43Å; S1369-Q1373 PolarHBondContact O-N 3.35Å; I1370-Q1373 PolarHBondContact O-N 3.47Å; L1371-Q1373 VanDerWaalsContact C-N 3.3Å; L1371-Q1373 PolarHBondContact O-N 2.99Å; Q1373-E1376 PolarHBondContact O-N 3.38Å; Q1373-E1377 WeakPolarHBondContact O-CG 3.37Å; Q1373-E1377 PolarHBondContact O-N 3.09Å; Q1373-E1377 VanDerWaalsContact O-N 3.09Å |
| 1374 | I | 85.1 | Confident | 86.1 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -73.1 | -32.7 | -178.6 | -70.9 | 167.2 | 0 | 0 | 0 | 111.2 | I1370 L1371 D1372 E1377 T1378 K1507 L1508 I1511 | I1370-I1374 HydrophobicContact CG2-CD1 3.83Å; I1370-I1374 PolarHBondContact O-N 2.82Å; I1370-I1374 VanDerWaalsContact O-N 3.09Å; L1371-I1374 PolarHBondContact O-N 3.3Å; D1372-I1374 PolarHBondContact O-N 3.31Å; I1374-E1377 PolarHBondContact O-N 3.3Å; I1374-T1378 HydrophobicContact CG2-CG2 4.38Å; I1374-T1378 VanDerWaalsContact O-CG2 3.32Å; I1374-T1378 WeakPolarHBondContact O-CG2 3.46Å; I1374-T1378 PolarHBondContact O-N 3.18Å; I1374-T1378 PolarHBondContact O-OG1 3.48Å; I1374-K1507 HydrophobicContact CG2-CB 4.3Å; I1374-L1508 HydrophobicContact CB-CD1 4.48Å; I1374-L1508 HydrophobicContact CG2-CB 4.09Å; I1374-L1508 HydrophobicContact CG2-CD1 4.02Å; I1374-I1511 HydrophobicContact CD1-CD1 3.08Å |
| 1375 | Q | 86.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.2 | -167.4 | 176.9 | -28.4 | 0 | 0 | 110.4 | L1371 D1372 E1377 T1378 E1379 L1508 | L1371-Q1375 WeakPolarHBondContact O-CB 3.44Å; L1371-Q1375 PolarHBondContact O-N 3.43Å; D1372-Q1375 PolarHBondContact O-N 2.94Å; Q1375-E1377 VanDerWaalsContact C-N 3.34Å; Q1375-E1377 PolarHBondContact O-N 2.99Å; Q1375-T1378 WeakPolarHBondContact CA-OG1 3.5Å; Q1375-T1378 PolarHBondContact O-N 3.13Å; Q1375-T1378 PolarHBondContact O-OG1 2.81Å; Q1375-E1379 PolarHBondContact NE2-OE1 3.17Å; Q1375-E1379 WeakPolarHBondContact O-CG 3.38Å; Q1375-E1379 PolarHBondContact O-N 3.41Å; Q1375-L1508 HydrophobicContact CB-CD1 3.83Å; Q1375-L1508 HydrophobicContact CG-CD1 4.35Å |
| 1376 | E | 87.4 | Confident | 86.1 | Confident | 129 Ų | 129 | 69.5 Ų | 69.5 | 60% | 0.603 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.5 | -45.1 | 173.3 | -72.2 | 177.8 | -179.2 | 0 | 0 | 112.1 | D1372 Q1373 T1378 E1379 L1380 | D1372-E1376 WeakPolarHBondContact O-CG 3.1Å; D1372-E1376 PolarHBondContact O-N 3.5Å; Q1373-E1376 PolarHBondContact O-N 3.38Å; E1376-T1378 PolarHBondContact O-N 2.69Å; E1376-E1379 PolarHBondContact O-N 2.73Å; E1376-L1380 VanDerWaalsContact O-CG 3.31Å; E1376-L1380 WeakPolarHBondContact O-CG 3.26Å; E1376-L1380 PolarHBondContact O-N 3.25Å |
| 1377 | E | 84.7 | Confident | 86.1 | Confident | 109 Ų | 109 | 69.3 Ų | 69.3 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.6 | -73 | -178.5 | 175.3 | 0 | 0 | 112.7 | Q1373 I1374 Q1375 L1380 L1381 | Q1373-E1377 WeakPolarHBondContact O-CG 3.37Å; Q1373-E1377 PolarHBondContact O-N 3.09Å; Q1373-E1377 VanDerWaalsContact O-N 3.09Å; I1374-E1377 PolarHBondContact O-N 3.3Å; Q1375-E1377 VanDerWaalsContact C-N 3.34Å; Q1375-E1377 PolarHBondContact O-N 2.99Å; E1377-L1380 PolarHBondContact O-N 3.31Å; E1377-L1381 WeakPolarHBondContact O-CG 3.16Å; E1377-L1381 PolarHBondContact O-N 2.8Å |
| 1378 | T | 85.9 | Confident | 85.9 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | I1374 Q1375 E1376 L1381 S1382 A1504 L1508 | I1374-T1378 HydrophobicContact CG2-CG2 4.38Å; I1374-T1378 VanDerWaalsContact O-CG2 3.32Å; I1374-T1378 WeakPolarHBondContact O-CG2 3.46Å; I1374-T1378 PolarHBondContact O-N 3.18Å; I1374-T1378 PolarHBondContact O-OG1 3.48Å; Q1375-T1378 WeakPolarHBondContact CA-OG1 3.5Å; Q1375-T1378 PolarHBondContact O-N 3.13Å; Q1375-T1378 PolarHBondContact O-OG1 2.81Å; E1376-T1378 PolarHBondContact O-N 2.69Å; T1378-L1381 PolarHBondContact O-N 3.01Å; T1378-S1382 WeakPolarHBondContact O-CB 3.38Å; T1378-S1382 PolarHBondContact O-N 2.68Å; T1378-A1504 VanDerWaalsContact CG2-C 3.48Å; T1378-A1504 HydrophobicContact CG2-CB 3.54Å; T1378-L1508 HydrophobicContact CG2-CB 4.35Å |
| 1379 | E | 87.9 | Confident | 85.7 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 178.4 | -73 | -179.8 | -168.9 | 0 | 0 | 110.9 | Q1375 E1376 S1382 A1383 | Q1375-E1379 PolarHBondContact NE2-OE1 3.17Å; Q1375-E1379 WeakPolarHBondContact O-CG 3.38Å; Q1375-E1379 PolarHBondContact O-N 3.41Å; E1376-E1379 PolarHBondContact O-N 2.73Å; E1379-S1382 PolarHBondContact O-N 3.11Å; E1379-S1382 PolarHBondContact O-OG 3.04Å; E1379-A1383 PolarHBondContact O-N 2.87Å |
| 1380 | L | 88.2 | Confident | 85.6 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 62% | 0.618 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.9 | -48.9 | 173.8 | -74.4 | 166.1 | 0 | 0 | 0 | 112.1 | E1376 E1377 S1382 A1383 D1384 | E1376-L1380 VanDerWaalsContact O-CG 3.31Å; E1376-L1380 WeakPolarHBondContact O-CG 3.26Å; E1376-L1380 PolarHBondContact O-N 3.25Å; E1377-L1380 PolarHBondContact O-N 3.31Å; L1380-S1382 VanDerWaalsContact C-N 3.31Å; L1380-S1382 PolarHBondContact O-N 3.13Å; L1380-A1383 WeakPolarHBondContact O-CB 3.08Å; L1380-A1383 PolarHBondContact O-N 3.16Å; L1380-D1384 PolarHBondContact O-N 3.45Å; L1380-D1384 VanDerWaalsContact O-N 3.12Å |
| 1381 | L | 88.4 | Confident | 85.5 | Confident | 33 Ų | 33 | 76.5 Ų | 76.5 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 177.2 | -72.6 | 170.8 | 0 | 0 | 0 | 112.3 | E1377 T1378 A1383 D1384 D1385 K1497 I1501 A1504 | E1377-L1381 WeakPolarHBondContact O-CG 3.16Å; E1377-L1381 PolarHBondContact O-N 2.8Å; T1378-L1381 PolarHBondContact O-N 3.01Å; L1381-A1383 VanDerWaalsContact C-N 3.33Å; L1381-A1383 PolarHBondContact O-N 2.8Å; L1381-D1384 PolarHBondContact O-N 2.94Å; L1381-D1385 PolarHBondContact O-N 2.99Å; L1381-D1385 VanDerWaalsContact O-N 3.15Å; L1381-K1497 HydrophobicContact CD2-CD 4.37Å; L1381-I1501 HydrophobicContact CB-CG1 3.83Å; L1381-A1504 HydrophobicContact CD1-CB 3.76Å |
| 1382 | S | 86.3 | Confident | 85.4 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.6 | -32.5 | 177.8 | 83.8 | 0 | 0 | 0 | 0 | 113.1 | T1378 E1379 L1380 K1386 | T1378-S1382 WeakPolarHBondContact O-CB 3.38Å; T1378-S1382 PolarHBondContact O-N 2.68Å; E1379-S1382 PolarHBondContact O-N 3.11Å; E1379-S1382 PolarHBondContact O-OG 3.04Å; L1380-S1382 VanDerWaalsContact C-N 3.31Å; L1380-S1382 PolarHBondContact O-N 3.13Å; S1382-K1386 WeakPolarHBondContact O-CG 3.31Å; S1382-K1386 PolarHBondContact O-N 2.76Å |
| 1383 | A | 86 | Confident | 85.1 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | E1379 L1380 L1381 K1386 L1387 | E1379-A1383 PolarHBondContact O-N 2.87Å; L1380-A1383 WeakPolarHBondContact O-CB 3.08Å; L1380-A1383 PolarHBondContact O-N 3.16Å; L1381-A1383 VanDerWaalsContact C-N 3.33Å; L1381-A1383 PolarHBondContact O-N 2.8Å; A1383-K1386 PolarHBondContact O-N 3.25Å; A1383-L1387 WeakPolarHBondContact O-CG 3.32Å; A1383-L1387 PolarHBondContact O-N 2.86Å; A1383-L1387 VanDerWaalsContact O-N 3.13Å |
| 1384 | D | 85.1 | Confident | 84.8 | Confident | 78 Ų | 78 | 82.7 Ų | 82.7 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.6 | -81.2 | -8.9 | 0 | 0 | 0 | 112.7 | L1380 L1381 K1386 L1387 M1388 | L1380-D1384 PolarHBondContact O-N 3.45Å; L1380-D1384 VanDerWaalsContact O-N 3.12Å; L1381-D1384 PolarHBondContact O-N 2.94Å; D1384-K1386 PolarHBondContact O-N 3.36Å; D1384-L1387 WeakPolarHBondContact O-CB 3.47Å; D1384-L1387 PolarHBondContact O-N 3.32Å; D1384-L1387 VanDerWaalsContact O-N 3.11Å; D1384-M1388 WeakPolarHBondContact O-CG 3.24Å; D1384-M1388 PolarHBondContact O-N 3.07Å |
| 1385 | D | 85.3 | Confident | 84.5 | Confident | 27 Ų | 27 | 85.9 Ų | 85.9 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.7 | 178.4 | 67.8 | 0 | 0 | 0 | 112.5 | L1381 L1387 M1388 E1389 I1501 | L1381-D1385 PolarHBondContact O-N 2.99Å; L1381-D1385 VanDerWaalsContact O-N 3.15Å; D1385-L1387 VanDerWaalsContact C-N 3.27Å; D1385-L1387 PolarHBondContact O-N 2.63Å; D1385-M1388 WeakPolarHBondContact O-CB 3.15Å; D1385-M1388 PolarHBondContact O-N 2.86Å; D1385-M1388 VanDerWaalsContact O-N 3.1Å; D1385-E1389 PolarHBondContact O-N 2.77Å; D1385-I1501 HydrophobicContact CB-CD1 3.49Å; D1385-I1501 VanDerWaalsContact CB-CD1 3.49Å |
| 1386 | K | 86 | Confident | 84.4 | Confident | 134 Ų | 134 | 82.1 Ų | 82.1 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.4 | -33.7 | 174 | -70.6 | 173.4 | -177 | 168 | 0 | 112.3 | S1382 A1383 D1384 K1390 | S1382-K1386 WeakPolarHBondContact O-CG 3.31Å; S1382-K1386 PolarHBondContact O-N 2.76Å; A1383-K1386 PolarHBondContact O-N 3.25Å; D1384-K1386 PolarHBondContact O-N 3.36Å; K1386-K1390 PolarHBondContact O-N 3.03Å |
| 1387 | L | 84.7 | Confident | 83.9 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 44% | 0.44 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 173.8 | -73.4 | 168.4 | 0 | 0 | 0 | 111.6 | A1383 D1384 D1385 E1389 K1390 N1391 | A1383-L1387 WeakPolarHBondContact O-CG 3.32Å; A1383-L1387 PolarHBondContact O-N 2.86Å; A1383-L1387 VanDerWaalsContact O-N 3.13Å; D1384-L1387 WeakPolarHBondContact O-CB 3.47Å; D1384-L1387 PolarHBondContact O-N 3.32Å; D1384-L1387 VanDerWaalsContact O-N 3.11Å; D1385-L1387 VanDerWaalsContact C-N 3.27Å; D1385-L1387 PolarHBondContact O-N 2.63Å; L1387-E1389 PolarHBondContact O-N 2.69Å; L1387-K1390 PolarHBondContact O-N 3.44Å; L1387-N1391 WeakPolarHBondContact O-CB 3.18Å; L1387-N1391 VanDerWaalsContact O-CG 3.26Å; L1387-N1391 PolarHBondContact O-N 2.93Å; L1387-N1391 PolarHBondContact O-ND2 3.38Å |
| 1388 | M | 82.2 | Confident | 83.6 | Confident | 50 Ų | 50 | 79 Ų | 79 | 25% | 0.246 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.8 | -66 | -68.8 | -77.2 | 0 | 0 | 112.4 | D1384 D1385 N1391 L1392 R1493 | D1384-M1388 WeakPolarHBondContact O-CG 3.24Å; D1384-M1388 PolarHBondContact O-N 3.07Å; D1385-M1388 WeakPolarHBondContact O-CB 3.15Å; D1385-M1388 PolarHBondContact O-N 2.86Å; D1385-M1388 VanDerWaalsContact O-N 3.1Å; M1388-N1391 PolarHBondContact O-N 2.88Å; M1388-L1392 PolarHBondContact O-N 3.23Å; M1388-L1392 VanDerWaalsContact O-N 3.11Å; M1388-R1493 HydrophobicContact CE-CB 3.84Å |
| 1389 | E | 81.6 | Confident | 83.1 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 43% | 0.425 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 174.4 | -70.2 | -161.7 | 150 | 0 | 0 | 113.1 | D1385 L1387 L1392 K1494 | D1385-E1389 PolarHBondContact O-N 2.77Å; L1387-E1389 PolarHBondContact O-N 2.69Å; E1389-L1392 WeakPolarHBondContact O-CB 3.1Å; E1389-L1392 PolarHBondContact O-N 3.2Å; E1389-K1494 HydrophobicContact CG-CD 4.36Å; E1389-K1494 IonicContact OE1-NZ 3.98Å; E1389-K1494 PolarHBondContact OE1-NZ 3.21Å |
| 1390 | K | 83.3 | Confident | 82.4 | Confident | 157 Ų | 157 | 81.7 Ų | 81.7 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.4 | -39.9 | 175.3 | -69.8 | 178.1 | -178.4 | 177.4 | 0 | 111.4 | K1386 L1387 L1392 R1393 | K1386-K1390 PolarHBondContact O-N 3.03Å; L1387-K1390 PolarHBondContact O-N 3.44Å; K1390-L1392 VanDerWaalsContact C-N 3.28Å; K1390-L1392 PolarHBondContact O-N 3.22Å; K1390-R1393 PolarHBondContact O-N 3.11Å |
| 1391 | N | 83.3 | Confident | 82 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.3 | -25 | 178.3 | -74.7 | -23.1 | 0 | 0 | 0 | 112.9 | L1387 M1388 R1393 K1394 E1395 | L1387-N1391 WeakPolarHBondContact O-CB 3.18Å; L1387-N1391 VanDerWaalsContact O-CG 3.26Å; L1387-N1391 PolarHBondContact O-N 2.93Å; L1387-N1391 PolarHBondContact O-ND2 3.38Å; M1388-N1391 PolarHBondContact O-N 2.88Å; N1391-R1393 VanDerWaalsContact C-N 3.29Å; N1391-R1393 PolarHBondContact O-N 3.41Å; N1391-K1394 CarbonylContact O-C 3.53Å; N1391-K1394 WeakPolarHBondContact O-CA 3.37Å; N1391-K1394 VanDerWaalsContact O-CB 3.31Å; N1391-K1394 WeakPolarHBondContact O-CB 3.21Å; N1391-K1394 PolarHBondContact O-N 2.88Å; N1391-E1395 PolarHBondContact O-N 3.2Å |
| 1392 | L | 84 | Confident | 81.5 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55 | -43.5 | 175.5 | -174.1 | 73.9 | 0 | 0 | 0 | 112.4 | M1388 E1389 K1390 K1394 E1395 F1396 Y1411 A1490 | M1388-L1392 PolarHBondContact O-N 3.23Å; M1388-L1392 VanDerWaalsContact O-N 3.11Å; E1389-L1392 WeakPolarHBondContact O-CB 3.1Å; E1389-L1392 PolarHBondContact O-N 3.2Å; K1390-L1392 VanDerWaalsContact C-N 3.28Å; K1390-L1392 PolarHBondContact O-N 3.22Å; L1392-K1394 PolarHBondContact O-N 3.46Å; L1392-E1395 PolarHBondContact O-N 2.99Å; L1392-F1396 HydrophobicContact CD1-CD2 3.58Å; L1392-F1396 HydrophobicContact CD1-CE2 3.54Å; L1392-F1396 HydrophobicContact CG-CD2 4.18Å; L1392-F1396 WeakPolarHBondContact O-CD2 3.29Å; L1392-F1396 PolarHBondContact O-N 2.73Å; L1392-F1396 VanDerWaalsContact O-N 3.09Å; L1392-Y1411 HydrophobicContact CD1-CD1 4.39Å; L1392-Y1411 HydrophobicContact CD1-CD2 3.7Å; L1392-Y1411 HydrophobicContact CD1-CE1 4.37Å; L1392-Y1411 HydrophobicContact CD1-CE2 3.69Å; L1392-Y1411 HydrophobicContact CD1-CG 4.03Å; L1392-Y1411 HydrophobicContact CD2-CD1 3.54Å; L1392-Y1411 HydrophobicContact CD2-CD2 4.3Å; L1392-Y1411 HydrophobicContact CD2-CE1 3.82Å; L1392-Y1411 HydrophobicContact CD2-CG 3.77Å; L1392-A1490 HydrophobicContact CD1-CB 4.47Å |
| 1393 | R | 78.7 | Confident | 81 | Confident | 179 Ų | 179 | 82.5 Ų | 82.5 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.9 | -28.3 | 177.5 | -171.9 | -179.3 | -69.2 | -101.5 | 1.8 | 112.2 | K1390 N1391 S1397 | K1390-R1393 PolarHBondContact O-N 3.11Å; N1391-R1393 VanDerWaalsContact C-N 3.29Å; N1391-R1393 PolarHBondContact O-N 3.41Å; R1393-S1397 PolarHBondContact O-N 3.21Å |
| 1394 | K | 80.5 | Confident | 80.8 | Confident | 164 Ų | 164 | 81.9 Ų | 81.9 | 71% | 0.713 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -79.9 | -38.6 | 177.1 | -169 | -177.1 | 179.2 | -175.8 | 0 | 112 | N1391 L1392 S1397 | N1391-K1394 CarbonylContact O-C 3.53Å; N1391-K1394 WeakPolarHBondContact O-CA 3.37Å; N1391-K1394 VanDerWaalsContact O-CB 3.31Å; N1391-K1394 WeakPolarHBondContact O-CB 3.21Å; N1391-K1394 PolarHBondContact O-N 2.88Å; L1392-K1394 PolarHBondContact O-N 3.46Å; K1394-S1397 PolarHBondContact O-OG 2.93Å |
| 1395 | E | 78.9 | Confident | 80.6 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 40% | 0.402 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.3 | -28.6 | 178.6 | -72.4 | -172.3 | 164 | 0 | 0 | 113.3 | N1391 L1392 R1493 | N1391-E1395 PolarHBondContact O-N 3.2Å; L1392-E1395 PolarHBondContact O-N 2.99Å; E1395-R1493 IonicContact OE1-NH1 4Å |
| 1396 | F | 82.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 31.6 | -179.2 | -65 | -89.1 | 0 | 0 | 0 | 112.7 | L1392 D1398 I1399 Y1404 I1407 L1483 R1486 L1487 A1490 | L1392-F1396 HydrophobicContact CD1-CD2 3.58Å; L1392-F1396 HydrophobicContact CD1-CE2 3.54Å; L1392-F1396 HydrophobicContact CG-CD2 4.18Å; L1392-F1396 WeakPolarHBondContact O-CD2 3.29Å; L1392-F1396 PolarHBondContact O-N 2.73Å; L1392-F1396 VanDerWaalsContact O-N 3.09Å; F1396-D1398 VanDerWaalsContact C-OD1 3.24Å; F1396-D1398 WeakPolarHBondContact CA-OD1 3.39Å; F1396-D1398 PolarHBondContact O-N 3.36Å; F1396-I1399 HydrophobicContact CB-CD1 4.39Å; F1396-I1399 HydrophobicContact CD1-CD1 3.82Å; F1396-I1399 PolarHBondContact O-N 2.83Å; F1396-Y1404 HydrophobicContact CB-CE2 4.29Å; F1396-I1407 HydrophobicContact CD1-CD1 4.22Å; F1396-I1407 HydrophobicContact CD1-CG2 4.17Å; F1396-I1407 HydrophobicContact CE1-CG2 4.38Å; F1396-I1407 HydrophobicContact CG-CG2 4.29Å; F1396-L1483 HydrophobicContact CD1-CD1 4.03Å; F1396-L1483 HydrophobicContact CE1-CD1 3.93Å; F1396-R1486 HydrophobicContact CE1-CB 4.23Å; F1396-R1486 HydrophobicContact CE1-CG 4.09Å; F1396-R1486 HydrophobicContact CZ-CB 4.25Å; F1396-R1486 HydrophobicContact CZ-CG 3.91Å; F1396-L1487 HydrophobicContact CE1-CB 4.34Å; F1396-L1487 HydrophobicContact CZ-CB 4.17Å; F1396-L1487 HydrophobicContact CZ-CD1 4.48Å; F1396-A1490 HydrophobicContact CE2-CB 4.2Å |
| 1397 | S | 78.5 | Confident | 80.3 | Confident | 76 Ų | 76 | 76.6 Ų | 76.6 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.5 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 114 | R1393 K1394 I1399 H1400 | R1393-S1397 PolarHBondContact O-N 3.21Å; K1394-S1397 PolarHBondContact O-OG 2.93Å; S1397-I1399 PolarHBondContact O-N 3.37Å; S1397-H1400 PolarHBondContact O-CE1 2.82Å |
| 1398 | D | 77.5 | Confident | 80.2 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.9 | 176 | 49.9 | -18.7 | 0 | 0 | 0 | 113.7 | F1396 R1486 | F1396-D1398 VanDerWaalsContact C-OD1 3.24Å; F1396-D1398 WeakPolarHBondContact CA-OD1 3.39Å; F1396-D1398 PolarHBondContact O-N 3.36Å; D1398-R1486 IonicContact OD1-NH1 2.71Å; D1398-R1486 IonicContact OD2-CZ 3.84Å; D1398-R1486 IonicContact OD2-NH1 3.81Å; D1398-R1486 PolarHBondContact OD2-NH1 3.1Å |
| 1399 | I | 74.8 | Confident | 80.3 | Confident | 15 Ų | 15 | 79.1 Ų | 79.1 | 8% | 0.077 | 40% | 0.395 | C | S | . | . | trans | -125.4 | 132.5 | -169.4 | -56.5 | 158.2 | 0 | 0 | 0 | 110.8 | F1396 S1397 L1403 I1407 L1483 | F1396-I1399 HydrophobicContact CB-CD1 4.39Å; F1396-I1399 HydrophobicContact CD1-CD1 3.82Å; F1396-I1399 PolarHBondContact O-N 2.83Å; S1397-I1399 PolarHBondContact O-N 3.37Å; I1399-L1403 HydrophobicContact CG2-CB 3.95Å; I1399-L1403 HydrophobicContact CG2-CD2 3.81Å; I1399-L1403 HydrophobicContact CG2-CG 3.85Å; I1399-I1407 HydrophobicContact CB-CD1 4.32Å; I1399-I1407 HydrophobicContact CD1-CD1 3.38Å; I1399-I1407 HydrophobicContact CG1-CD1 4.39Å; I1399-I1407 HydrophobicContact CG2-CD1 3.85Å; I1399-L1483 HydrophobicContact CD1-CD1 3.18Å; I1399-L1483 HydrophobicContact CD1-CD2 3.88Å; I1399-L1483 HydrophobicContact CD1-CG 4.13Å; I1399-L1483 HydrophobicContact CG1-CD1 4.43Å | ||
| 1400 | H | 74.5 | Confident | 80.3 | Confident | 157 Ų | 157 | 75.2 Ų | 75.2 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | trans | -134.3 | 155 | -175.5 | -61.2 | -38 | 0 | 0 | 0 | 112.2 | S1397 | S1397-H1400 PolarHBondContact O-CE1 2.82Š| ||
| 1401 | G | 78.4 | Confident | 80.3 | Confident | 51 Ų | 51 | 68 Ų | 68 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -147.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1403 Y1404 D1405 | G1401-L1403 PolarHBondContact O-N 2.78Å; G1401-L1403 VanDerWaalsContact O-N 3.16Å; G1401-Y1404 WeakPolarHBondContact O-CB 3.4Å; G1401-Y1404 PolarHBondContact O-N 3.33Å; G1401-D1405 PolarHBondContact O-N 3.36Å |
| 1402 | V | 77.8 | Confident | 80.3 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 72% | 0.721 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.5 | -32.3 | -173.3 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | D1405 F1406 | V1402-D1405 PolarHBondContact O-N 2.77Å; V1402-F1406 PolarHBondContact O-N 2.76Å |
| 1403 | L | 76.3 | Confident | 80.1 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 20% | 0.199 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.2 | -169.6 | 65.5 | 0 | 0 | 0 | 111.9 | I1399 G1401 F1406 I1407 C1479 L1483 | I1399-L1403 HydrophobicContact CG2-CB 3.95Å; I1399-L1403 HydrophobicContact CG2-CD2 3.81Å; I1399-L1403 HydrophobicContact CG2-CG 3.85Å; G1401-L1403 PolarHBondContact O-N 2.78Å; G1401-L1403 VanDerWaalsContact O-N 3.16Å; L1403-F1406 WeakPolarHBondContact O-CB 3.46Å; L1403-F1406 PolarHBondContact O-N 3.38Å; L1403-I1407 VanDerWaalsContact O-CG1 3.29Å; L1403-I1407 WeakPolarHBondContact O-CG1 3.29Å; L1403-I1407 PolarHBondContact O-N 2.86Å; L1403-C1479 HydrophobicContact CD1-CB 4.34Å; L1403-L1483 HydrophobicContact CD2-CD2 4.23Å |
| 1404 | Y | 81.9 | Confident | 80.3 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 14% | 0.137 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 174.9 | -177.2 | -94.2 | 0 | 0 | 0 | 111.3 | F1396 G1401 F1406 I1407 V1408 | F1396-Y1404 HydrophobicContact CB-CE2 4.29Å; G1401-Y1404 WeakPolarHBondContact O-CB 3.4Å; G1401-Y1404 PolarHBondContact O-N 3.33Å; Y1404-F1406 VanDerWaalsContact C-N 3.28Å; Y1404-F1406 PolarHBondContact O-N 3.13Å; Y1404-I1407 WeakPolarHBondContact O-CB 3.25Å; Y1404-I1407 PolarHBondContact O-N 2.78Å; Y1404-I1407 VanDerWaalsContact O-N 3.15Å; Y1404-V1408 HydrophobicContact CD1-CG2 3.87Å; Y1404-V1408 HydrophobicContact CE1-CG2 3.4Å; Y1404-V1408 HydrophobicContact CE2-CG2 4.41Å; Y1404-V1408 WeakPolarHBondContact O-CG2 3.2Å; Y1404-V1408 PolarHBondContact O-N 3.18Å |
| 1405 | D | 81.4 | Confident | 79.9 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -36.8 | 175.4 | -71.1 | -23.4 | 0 | 0 | 0 | 111.9 | G1401 V1402 K1409 | G1401-D1405 PolarHBondContact O-N 3.36Å; V1402-D1405 PolarHBondContact O-N 2.77Å; D1405-K1409 WeakPolarHBondContact O-CB 3.45Å; D1405-K1409 VanDerWaalsContact O-CG 3.31Å; D1405-K1409 WeakPolarHBondContact O-CG 3.42Å; D1405-K1409 PolarHBondContact O-N 3.32Å |
| 1406 | F | 81.9 | Confident | 79.1 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 171 | 176.1 | -102.4 | 0 | 0 | 0 | 111.7 | V1402 L1403 Y1404 V1408 K1409 A1410 Q1476 W1484 | V1402-F1406 PolarHBondContact O-N 2.76Å; L1403-F1406 WeakPolarHBondContact O-CB 3.46Å; L1403-F1406 PolarHBondContact O-N 3.38Å; Y1404-F1406 VanDerWaalsContact C-N 3.28Å; Y1404-F1406 PolarHBondContact O-N 3.13Å; F1406-V1408 PolarHBondContact O-N 2.74Å; F1406-K1409 PolarHBondContact O-N 3.38Å; F1406-A1410 WeakPolarHBondContact O-CB 3.2Å; F1406-A1410 PolarHBondContact O-N 2.91Å; F1406-Q1476 VanDerWaalsContact CD2-NE2 3.35Å; F1406-Q1476 HydrophobicContact CE2-CG 4.41Å; F1406-Q1476 HydrophobicContact CZ-CG 4.48Å; F1406-W1484 AromaticContact CE1-CZ3 3.95Å; F1406-W1484 HydrophobicContact CE1-CZ3 3.95Å; F1406-W1484 HydrophobicContact CZ-CZ3 4.12Å |
| 1407 | I | 83.2 | Confident | 77.6 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 176.9 | -70 | 169.6 | 0 | 0 | 0 | 111.2 | F1396 I1399 L1403 Y1404 K1409 A1410 Y1411 L1483 L1487 | F1396-I1407 HydrophobicContact CD1-CD1 4.22Å; F1396-I1407 HydrophobicContact CD1-CG2 4.17Å; F1396-I1407 HydrophobicContact CE1-CG2 4.38Å; F1396-I1407 HydrophobicContact CG-CG2 4.29Å; I1399-I1407 HydrophobicContact CB-CD1 4.32Å; I1399-I1407 HydrophobicContact CD1-CD1 3.38Å; I1399-I1407 HydrophobicContact CG1-CD1 4.39Å; I1399-I1407 HydrophobicContact CG2-CD1 3.85Å; L1403-I1407 VanDerWaalsContact O-CG1 3.29Å; L1403-I1407 WeakPolarHBondContact O-CG1 3.29Å; L1403-I1407 PolarHBondContact O-N 2.86Å; Y1404-I1407 WeakPolarHBondContact O-CB 3.25Å; Y1404-I1407 PolarHBondContact O-N 2.78Å; Y1404-I1407 VanDerWaalsContact O-N 3.15Å; I1407-K1409 PolarHBondContact O-N 3.32Å; I1407-A1410 PolarHBondContact O-N 2.81Å; I1407-Y1411 VanDerWaalsContact O-CB 3.24Å; I1407-Y1411 WeakPolarHBondContact O-CB 3.48Å; I1407-Y1411 PolarHBondContact O-N 3.32Å; I1407-L1483 HydrophobicContact CD1-CD1 4.29Å; I1407-L1483 HydrophobicContact CD1-CD2 4.2Å; I1407-L1483 HydrophobicContact CD1-CG 4.48Å; I1407-L1487 HydrophobicContact CG1-CD2 4.45Å; I1407-L1487 HydrophobicContact CG2-CD1 3.7Å; I1407-L1487 HydrophobicContact CG2-CD2 4.33Å |
| 1408 | V | 82.9 | Confident | 76.1 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | Y1404 F1406 K1412 | Y1404-V1408 HydrophobicContact CD1-CG2 3.87Å; Y1404-V1408 HydrophobicContact CE1-CG2 3.4Å; Y1404-V1408 HydrophobicContact CE2-CG2 4.41Å; Y1404-V1408 WeakPolarHBondContact O-CG2 3.2Å; Y1404-V1408 PolarHBondContact O-N 3.18Å; F1406-V1408 PolarHBondContact O-N 2.74Å; V1408-K1412 HydrophobicContact CG1-CD 4.23Å; V1408-K1412 WeakPolarHBondContact O-CB 3.29Å; V1408-K1412 VanDerWaalsContact O-CG 3.31Å; V1408-K1412 WeakPolarHBondContact O-CG 3.48Å; V1408-K1412 PolarHBondContact O-N 3.45Å |
| 1409 | K | 84.1 | Confident | 74.3 | Confident | 156 Ų | 156 | 72.6 Ų | 72.6 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 175.5 | -78.6 | 176.5 | 180 | 176.1 | 0 | 111.8 | D1405 F1406 I1407 K1412 K1413 | D1405-K1409 WeakPolarHBondContact O-CB 3.45Å; D1405-K1409 VanDerWaalsContact O-CG 3.31Å; D1405-K1409 WeakPolarHBondContact O-CG 3.42Å; D1405-K1409 PolarHBondContact O-N 3.32Å; F1406-K1409 PolarHBondContact O-N 3.38Å; I1407-K1409 PolarHBondContact O-N 3.32Å; K1409-K1412 CarbonylContact O-C 3.56Å; K1409-K1412 PolarHBondContact O-N 3.1Å; K1409-K1413 PolarHBondContact O-N 3.49Å |
| 1410 | A | 80.7 | Confident | 72.4 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.5 | -37.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1406 I1407 K1412 K1413 W1484 L1487 R1491 | F1406-A1410 WeakPolarHBondContact O-CB 3.2Å; F1406-A1410 PolarHBondContact O-N 2.91Å; I1407-A1410 PolarHBondContact O-N 2.81Å; A1410-K1412 VanDerWaalsContact C-N 3.3Å; A1410-K1412 PolarHBondContact O-N 2.74Å; A1410-K1413 VanDerWaalsContact O-CB 3.28Å; A1410-K1413 WeakPolarHBondContact O-CB 3.22Å; A1410-K1413 PolarHBondContact O-N 2.8Å; A1410-K1413 VanDerWaalsContact O-N 3.15Å; A1410-W1484 HydrophobicContact CB-CZ3 4.26Å; A1410-L1487 HydrophobicContact CB-CD2 3.72Å; A1410-R1491 WeakPolarHBondContact O-CD 3.47Å |
| 1411 | Y | 83.8 | Confident | 70.4 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -37 | 171.6 | -178.2 | -103.4 | 0 | 0 | 0 | 112.5 | L1392 I1407 R1414 L1487 A1490 R1491 K1494 | L1392-Y1411 HydrophobicContact CD1-CD1 4.39Å; L1392-Y1411 HydrophobicContact CD1-CD2 3.7Å; L1392-Y1411 HydrophobicContact CD1-CE1 4.37Å; L1392-Y1411 HydrophobicContact CD1-CE2 3.69Å; L1392-Y1411 HydrophobicContact CD1-CG 4.03Å; L1392-Y1411 HydrophobicContact CD2-CD1 3.54Å; L1392-Y1411 HydrophobicContact CD2-CD2 4.3Å; L1392-Y1411 HydrophobicContact CD2-CE1 3.82Å; L1392-Y1411 HydrophobicContact CD2-CG 3.77Å; I1407-Y1411 VanDerWaalsContact O-CB 3.24Å; I1407-Y1411 WeakPolarHBondContact O-CB 3.48Å; I1407-Y1411 PolarHBondContact O-N 3.32Å; Y1411-R1414 PolarHBondContact O-NH1 3.25Å; Y1411-L1487 HydrophobicContact CD2-CD1 4.18Å; Y1411-L1487 HydrophobicContact CG-CD1 4.49Å; Y1411-A1490 HydrophobicContact CD2-CB 4.38Å; Y1411-A1490 HydrophobicContact CE2-CB 3.97Å; Y1411-R1491 HydrophobicContact CD2-CB 4.07Å; Y1411-K1494 HydrophobicContact CE1-CD 3.45Å; Y1411-K1494 VanDerWaalsContact CE1-CD 3.45Å; Y1411-K1494 HydrophobicContact CE2-CB 4.3Å; Y1411-K1494 VanDerWaalsContact CZ-CD 3.5Å; Y1411-K1494 WeakPolarHBondContact OH-CB 3.48Å; Y1411-K1494 VanDerWaalsContact OH-CD 3.26Å; Y1411-K1494 WeakPolarHBondContact OH-CD 3.5Å |
| 1412 | K | 83.4 | Confident | 68.3 | Low | 129 Ų | 129 | 76.3 Ų | 76.3 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -81.2 | -13.3 | 175.8 | -71.4 | -178.3 | 177.6 | -172.1 | 0 | 113.5 | V1408 K1409 A1410 R1414 | V1408-K1412 HydrophobicContact CG1-CD 4.23Å; V1408-K1412 WeakPolarHBondContact O-CB 3.29Å; V1408-K1412 VanDerWaalsContact O-CG 3.31Å; V1408-K1412 WeakPolarHBondContact O-CG 3.48Å; V1408-K1412 PolarHBondContact O-N 3.45Å; K1409-K1412 CarbonylContact O-C 3.56Å; K1409-K1412 PolarHBondContact O-N 3.1Å; A1410-K1412 VanDerWaalsContact C-N 3.3Å; A1410-K1412 PolarHBondContact O-N 2.74Å; K1412-R1414 PolarHBondContact O-NH1 2.74Å |
| 1413 | K | 80.7 | Confident | 66 | Low | 94 Ų | 94 | 78 Ų | 78 | 41% | 0.409 | 39% | 0.392 | S | S | . | . | trans | -66 | 135.1 | 176.5 | -159.4 | 174.7 | -178.8 | 178.9 | 0 | 109.2 | K1409 A1410 L1467 D1470 | K1409-K1413 PolarHBondContact O-N 3.49Å; A1410-K1413 VanDerWaalsContact O-CB 3.28Å; A1410-K1413 WeakPolarHBondContact O-CB 3.22Å; A1410-K1413 PolarHBondContact O-N 2.8Å; A1410-K1413 VanDerWaalsContact O-N 3.15Å; K1413-L1467 HydrophobicContact CB-CD2 4.38Å; K1413-L1467 HydrophobicContact CD-CD2 4.47Å; K1413-L1467 HydrophobicContact CG-CD2 4.12Å; K1413-D1470 IonicContact NZ-OD2 2.97Å; K1413-D1470 PolarHBondContact NZ-OD2 2.8Å | ||
| 1414 | R | 82.7 | Confident | 63.6 | Low | 50 Ų | 50 | 84.7 Ų | 84.7 | 19% | 0.189 | 42% | 0.423 | C | S | . | . | trans | -122 | 148.9 | 177.1 | -63.6 | -69.1 | 176 | -87.7 | 3 | 108.5 | Y1411 K1412 F1418 E1498 | Y1411-R1414 PolarHBondContact O-NH1 3.25Å; K1412-R1414 PolarHBondContact O-NH1 2.74Å; R1414-F1418 HydrophobicContact CB-CB 3.97Å; R1414-F1418 HydrophobicContact CB-CD1 3.72Å; R1414-F1418 HydrophobicContact CB-CE1 4.38Å; R1414-F1418 HydrophobicContact CB-CG 3.91Å; R1414-F1418 HydrophobicContact CG-CD1 3.83Å; R1414-F1418 HydrophobicContact CG-CE1 4.01Å; R1414-F1418 HydrophobicContact CG-CG 4.43Å; R1414-E1498 IonicContact CZ-OE1 2.8Å; R1414-E1498 IonicContact CZ-OE2 3.48Å; R1414-E1498 IonicContact NE-OE1 2.75Å; R1414-E1498 IonicContact NE-OE2 3.89Å; R1414-E1498 PolarHBondContact NE-OE2 3.15Å; R1414-E1498 IonicContact NH2-OE1 2.89Å; R1414-E1498 PolarHBondContact NH2-OE1 3.03Å; R1414-E1498 IonicContact NH2-OE2 2.66Å; R1414-E1498 PolarHBondContact NH2-OE2 2.94Å | ||
| 1415 | P | 72.1 | Confident | 61.1 | Low | 5 Ų | 5 | 91.7 Ų | 91.7 | 3% | 0.032 | 45% | 0.454 | C | S | . | . | trans | -51.9 | 143.9 | 173.8 | -24.5 | 31.1 | 0 | 0 | 0 | 111.8 | H1417 F1418 L1464 L1467 | P1415-H1417 PolarHBondContact O-N 3.46Å; P1415-F1418 HydrophobicContact CB-CB 4.09Å; P1415-F1418 HydrophobicContact CG-CB 4.35Å; P1415-F1418 HydrophobicContact CG-CD2 4.47Å; P1415-F1418 WeakPolarHBondContact O-CA 3.27Å; P1415-F1418 WeakPolarHBondContact O-CB 3.22Å; P1415-F1418 PolarHBondContact O-N 3.18Å; P1415-L1464 HydrophobicContact CG-CD2 4Å; P1415-L1464 HydrophobicContact CG-CG 4.39Å; P1415-L1467 HydrophobicContact CG-CD2 4.38Å | ||
| 1416 | K | 61.3 | Low | 58.3 | Low | 201 Ų | 201 | 96.4 Ų | 96.4 | 87% | 0.874 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -61.3 | -28.8 | 176.6 | -70.9 | -177 | 179.8 | 177.4 | 0 | 111.6 | F1418 | K1416-F1418 VanDerWaalsContact C-N 3.3Š|
| 1417 | H | 52 | Low | 55.7 | Low | 121 Ų | 121 | 100.8 Ų | 100.8 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -78.2 | -5.7 | 170.7 | -98.9 | -61.3 | 0 | 0 | 0 | 114.9 | P1415 L1419 L1420 | P1415-H1417 PolarHBondContact O-N 3.46Å; H1417-L1419 PolarHBondContact O-N 3.43Å; H1417-L1420 WeakPolarHBondContact ND1-CD1 3.23Å; H1417-L1420 WeakPolarHBondContact ND1-CG 3.44Å; H1417-L1420 PolarHBondContact O-N 3.11Å; H1417-L1420 VanDerWaalsContact O-N 3.12Å |
| 1418 | F | 46.4 | Very low | 52.9 | Low | 29 Ų | 29 | 107.3 Ų | 107.3 | 13% | 0.127 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -69.1 | -18.7 | 172.9 | -158.9 | -100.8 | 0 | 0 | 0 | 112.3 | R1414 P1415 K1416 L1460 I1495 | R1414-F1418 HydrophobicContact CB-CB 3.97Å; R1414-F1418 HydrophobicContact CB-CD1 3.72Å; R1414-F1418 HydrophobicContact CB-CE1 4.38Å; R1414-F1418 HydrophobicContact CB-CG 3.91Å; R1414-F1418 HydrophobicContact CG-CD1 3.83Å; R1414-F1418 HydrophobicContact CG-CE1 4.01Å; R1414-F1418 HydrophobicContact CG-CG 4.43Å; P1415-F1418 HydrophobicContact CB-CB 4.09Å; P1415-F1418 HydrophobicContact CG-CB 4.35Å; P1415-F1418 HydrophobicContact CG-CD2 4.47Å; P1415-F1418 WeakPolarHBondContact O-CA 3.27Å; P1415-F1418 WeakPolarHBondContact O-CB 3.22Å; P1415-F1418 PolarHBondContact O-N 3.18Å; K1416-F1418 VanDerWaalsContact C-N 3.3Å; F1418-L1460 HydrophobicContact CD2-CD1 3.91Å; F1418-L1460 HydrophobicContact CD2-CG 4.44Å; F1418-L1460 HydrophobicContact CE2-CD1 3.88Å; F1418-I1495 HydrophobicContact CE2-CG2 3.57Å; F1418-I1495 HydrophobicContact CZ-CG1 4.49Å; F1418-I1495 HydrophobicContact CZ-CG2 4Å |
| 1419 | L | 39.5 | Very low | 50.2 | Low | 150 Ų | 150 | 112.6 Ų | 112.6 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -102.2 | 41.7 | 169.3 | -65.6 | 173.1 | 0 | 0 | 0 | 110.7 | H1417 A1421 | H1417-L1419 PolarHBondContact O-N 3.43Å; L1419-A1421 PolarHBondContact O-N 3.31Å |
| 1420 | L | 34.7 | Very low | 47.3 | Very low | 113 Ų | 113 | 108.8 Ų | 108.8 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | trans | -62.5 | 92.3 | 155.7 | -83.2 | 169.8 | 0 | 0 | 0 | 106.8 | H1417 L1459 | H1417-L1420 WeakPolarHBondContact ND1-CD1 3.23Å; H1417-L1420 WeakPolarHBondContact ND1-CG 3.44Å; H1417-L1420 PolarHBondContact O-N 3.11Å; H1417-L1420 VanDerWaalsContact O-N 3.12Å; L1420-L1459 HydrophobicContact CD1-CD2 4.44Å | ||
| 1421 | A | 32.6 | Very low | 44.7 | Very low | 72 Ų | 72 | 111.7 Ų | 111.7 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | trans | -33.7 | 142.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1419 L1423 | L1419-A1421 PolarHBondContact O-N 3.31Å; A1421-L1423 PolarHBondContact O-N 2.99Å | ||
| 1422 | P | 35.3 | Very low | 41.9 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | trans | -47.6 | 120.5 | -174.6 | 20.1 | -30.8 | 0 | 0 | 0 | 106.7 | E1424 | P1422-E1424 PolarHBondContact O-N 3.46Š| ||
| 1423 | L | 29.1 | Very low | 39.1 | Very low | 153 Ų | 153 | 119 Ų | 119 | 80% | 0.801 | 61% | 0.613 | S | S | * | * | trans | -47 | 106.4 | 174.3 | -103.8 | 118.4 | 0 | 0 | 0 | 104.9 | A1421 K1425 | A1421-L1423 PolarHBondContact O-N 2.99Å; L1423-K1425 PolarHBondContact O-N 3.11Å | ||
| 1424 | E | 26 | Very low | 36.5 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 63% | 0.626 | S | S | * | * | trans | -52.3 | 117.3 | 179 | -76.4 | 177.4 | 155.3 | 0 | 0 | 103.3 | P1422 K1426 | P1422-E1424 PolarHBondContact O-N 3.46Å; E1424-K1426 PolarHBondContact O-N 2.77Å | ||
| 1425 | K | 28.4 | Very low | 33.8 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | trans | -58 | 92.7 | 175.1 | -67.4 | 174.1 | 177.6 | 173.2 | 0 | 104.6 | L1423 I1427 | L1423-K1425 PolarHBondContact O-N 3.11Å; K1425-I1427 HydrophobicContact CB-CD1 4.48Å; K1425-I1427 HydrophobicContact CB-CG1 3.68Å; K1425-I1427 PolarHBondContact O-N 2.8Å | ||
| 1426 | K | 23.5 | Very low | 31.6 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.835 | 68% | 0.68 | S | S | * | * | trans | -58.7 | 87.7 | 140.8 | -76.7 | -171.6 | 176.4 | -178.4 | 0 | 103.2 | E1424 D1428 | E1424-K1426 PolarHBondContact O-N 2.77Å; K1426-D1428 PolarHBondContact O-N 3.24Å | ||
| 1427 | I | 26.8 | Very low | 30.1 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 64% | 0.641 | 68% | 0.676 | S | S | * | * | trans | -63.9 | 87.7 | 170.2 | -63.6 | 170.7 | 0 | 0 | 0 | 102.9 | K1425 Q1429 | K1425-I1427 HydrophobicContact CB-CD1 4.48Å; K1425-I1427 HydrophobicContact CB-CG1 3.68Å; K1425-I1427 PolarHBondContact O-N 2.8Å; I1427-Q1429 HydrophobicContact CG2-CG 3.93Å; I1427-Q1429 PolarHBondContact O-N 3.43Å | ||
| 1428 | D | 25 | Very low | 28.8 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -63.4 | 90 | 159.8 | -83.3 | -24.7 | 0 | 0 | 0 | 105.7 | K1426 S1430 | K1426-D1428 PolarHBondContact O-N 3.24Å; D1428-S1430 PolarHBondContact O-N 3.11Å | ||
| 1429 | Q | 25.3 | Very low | 28.2 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 78 | 157.8 | -63.3 | -179.3 | -1.5 | 0 | 0 | 107.9 | E92 I1427 | E92-Q1429 PolarHBondContact OE1-NE2 3.49Å; I1427-Q1429 HydrophobicContact CG2-CG 3.93Å; I1427-Q1429 PolarHBondContact O-N 3.43Å | ||
| 1430 | S | 24.7 | Very low | 27.6 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 53% | 0.531 | 72% | 0.72 | S | S | . | * | trans | -158 | 73.1 | 163.9 | 60.7 | 0 | 0 | 0 | 0 | 111 | D1428 | D1428-S1430 PolarHBondContact O-N 3.11Š| ||
| 1431 | G | 26.1 | Very low | 27.4 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -177.2 | 34.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1432 | K | 23.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | trans | -71.4 | 140.7 | 148.9 | -80.6 | -175.6 | -178.9 | 172.9 | 0 | 108.3 | ||||
| 1433 | D | 25.9 | Very low | 27.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | 70.1 | 89.9 | 151.1 | -47.3 | -24.2 | 0 | 0 | 0 | 117.3 | ||||
| 1434 | T | 25.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | -174.8 | 107.5 | 119.9 | 9.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1435 | Q | 26.3 | Very low | 28.5 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | 164.1 | 100.6 | 119.9 | -87.7 | 171.3 | 8.2 | 0 | 0 | 110.6 | |||||
| 1436 | S | 25.8 | Very low | 29 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | 9.7 | 116 | 120.2 | 37.8 | 0 | 0 | 0 | 0 | 116.9 | K1438 | S1436-K1438 PolarHBondContact O-N 3.31Š| |||
| 1437 | S | 30.2 | Very low | 29.4 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | 47.5 | 62.5 | 126.6 | 58.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1438 | K | 25.1 | Very low | 29.6 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -131.2 | 131.6 | 134.5 | -72.3 | -173.4 | 178.8 | 172.3 | 0 | 107.9 | S1436 L1440 | S1436-K1438 PolarHBondContact O-N 3.31Å; K1438-L1440 PolarHBondContact O-N 2.83Å | ||
| 1439 | Q | 33.1 | Very low | 30.2 | Very low | 205 Ų | 205 | 123 Ų | 123 | 96% | 0.958 | 65% | 0.654 | S | S | * | * | trans | -54.1 | 83.7 | 169.9 | -70.5 | 160.6 | -44.6 | 0 | 0 | 108.7 | ||||
| 1440 | L | 27 | Very low | 30.8 | Very low | 118 Ų | 118 | 119.2 Ų | 119.2 | 62% | 0.618 | 64% | 0.643 | S | S | * | * | trans | -119.3 | 94.4 | -179.6 | -144.7 | 74 | 0 | 0 | 0 | 106.9 | K1438 P1442 | K1438-L1440 PolarHBondContact O-N 2.83Å; L1440-P1442 WeakPolarHBondContact O-CD 3.28Å; L1440-P1442 VanDerWaalsContact O-N 3.07Å | ||
| 1441 | N | 30.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | trans | -51.1 | 110.7 | 177.1 | -157.6 | 0.7 | 0 | 0 | 0 | 108.3 | Y1443 I1444 | N1441-Y1443 PolarHBondContact O-N 3.26Å; N1441-Y1443 VanDerWaalsContact OD1-CD2 3.3Å; N1441-Y1443 WeakPolarHBondContact OD1-CD2 3.43Å; N1441-I1444 PolarHBondContact O-N 3.17Å | ||
| 1442 | P | 40.7 | Very low | 32.4 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -1.1 | -168.3 | 25.9 | -34.4 | 0 | 0 | 0 | 113.9 | L1440 I1444 | L1440-P1442 WeakPolarHBondContact O-CD 3.28Å; L1440-P1442 VanDerWaalsContact O-N 3.07Å; P1442-I1444 VanDerWaalsContact C-N 3.33Å |
| 1443 | Y | 35.9 | Very low | 33.5 | Very low | 103 Ų | 103 | 118 Ų | 118 | 40% | 0.404 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -22.4 | 173 | -68.8 | -77.3 | 0 | 0 | 0 | 113.6 | I1370 N1441 I1447 I1511 | I1370-Y1443 HydrophobicContact CD1-CE2 4.42Å; N1441-Y1443 PolarHBondContact O-N 3.26Å; N1441-Y1443 VanDerWaalsContact OD1-CD2 3.3Å; N1441-Y1443 WeakPolarHBondContact OD1-CD2 3.43Å; Y1443-I1447 WeakPolarHBondContact O-CD1 3.26Å; Y1443-I1447 VanDerWaalsContact O-CG1 3.31Å; Y1443-I1447 WeakPolarHBondContact O-CG1 3.27Å; Y1443-I1511 HydrophobicContact CE1-CD1 4.38Å; Y1443-I1511 WeakPolarHBondContact OH-CD1 3.27Å |
| 1444 | I | 35.7 | Very low | 34.7 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -38.7 | -175.1 | -58.9 | 178.5 | 0 | 0 | 0 | 112.4 | N1441 P1442 | N1441-I1444 PolarHBondContact O-N 3.17Å; P1442-I1444 VanDerWaalsContact C-N 3.33Å |
| 1445 | E | 32.8 | Very low | 36 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -27.6 | -174.7 | -79.4 | -172.1 | 156.4 | 0 | 0 | 114.8 | I1447 C1448 | E1445-I1447 PolarHBondContact O-N 3.12Å; E1445-C1448 WeakPolarHBondContact O-CB 3.46Å; E1445-C1448 PolarHBondContact O-N 3.38Å; E1445-C1448 VanDerWaalsContact O-N 3.07Å |
| 1446 | K | 39.6 | Very low | 37.3 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -64.7 | -20.2 | 174.2 | -88.9 | -171.5 | 171.3 | -174.9 | 0 | 112.5 | C1448 Q1449 D1510 | K1446-C1448 PolarHBondContact O-N 3.37Å; K1446-Q1449 PolarHBondContact O-N 3.43Å; K1446-D1510 IonicContact NZ-OD2 3.24Å; K1446-D1510 PolarHBondContact NZ-OD2 3.4Å |
| 1447 | I | 32.4 | Very low | 39 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -66.7 | -23.4 | 174.7 | -63.5 | 169.7 | 0 | 0 | 0 | 111.6 | Y1443 E1445 Q1449 S1450 | Y1443-I1447 WeakPolarHBondContact O-CD1 3.26Å; Y1443-I1447 VanDerWaalsContact O-CG1 3.31Å; Y1443-I1447 WeakPolarHBondContact O-CG1 3.27Å; E1445-I1447 PolarHBondContact O-N 3.12Å; I1447-Q1449 VanDerWaalsContact C-N 3.29Å; I1447-Q1449 PolarHBondContact O-N 2.95Å; I1447-S1450 WeakPolarHBondContact O-CB 3.5Å; I1447-S1450 PolarHBondContact O-N 3.29Å; I1447-S1450 PolarHBondContact O-OG 3.29Å |
| 1448 | C | 30.8 | Very low | 40.7 | Very low | 93 Ų | 93 | 112.3 Ų | 112.3 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -77.7 | -7.1 | 178.8 | -71.6 | 0 | 0 | 0 | 0 | 114.5 | E1445 K1446 S1450 | E1445-C1448 WeakPolarHBondContact O-CB 3.46Å; E1445-C1448 PolarHBondContact O-N 3.38Å; E1445-C1448 VanDerWaalsContact O-N 3.07Å; K1446-C1448 PolarHBondContact O-N 3.37Å; C1448-S1450 PolarHBondContact O-N 2.73Å |
| 1449 | Q | 37 | Very low | 42.8 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -76.6 | 4 | 168.4 | -67.3 | -174.5 | -5.2 | 0 | 0 | 113.2 | K1446 I1447 T1451 Q1452 S1453 | K1446-Q1449 PolarHBondContact O-N 3.43Å; I1447-Q1449 VanDerWaalsContact C-N 3.29Å; I1447-Q1449 PolarHBondContact O-N 2.95Å; Q1449-T1451 PolarHBondContact O-N 3.02Å; Q1449-T1451 VanDerWaalsContact O-N 3.08Å; Q1449-Q1452 PolarHBondContact O-N 3.27Å; Q1449-S1453 PolarHBondContact O-N 3.43Å |
| 1450 | S | 38.8 | Very low | 44.6 | Very low | 62 Ų | 62 | 99.4 Ų | 99.4 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -51.9 | -27.6 | 168.5 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | I1447 C1448 Q1452 S1453 T1454 | I1447-S1450 WeakPolarHBondContact O-CB 3.5Å; I1447-S1450 PolarHBondContact O-N 3.29Å; I1447-S1450 PolarHBondContact O-OG 3.29Å; C1448-S1450 PolarHBondContact O-N 2.73Å; S1450-Q1452 VanDerWaalsContact C-N 3.32Å; S1450-Q1452 PolarHBondContact O-N 2.94Å; S1450-S1453 PolarHBondContact O-N 3.48Å; S1450-S1453 PolarHBondContact O-OG 2.83Å; S1450-T1454 PolarHBondContact O-N 2.76Å; S1450-T1454 VanDerWaalsContact O-N 3.08Å; S1450-T1454 PolarHBondContact O-OG1 3.36Å |
| 1451 | T | 40.9 | Very low | 46.9 | Very low | 98 Ų | 98 | 99 Ų | 99 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -28.3 | 174.4 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | Q1449 | Q1449-T1451 PolarHBondContact O-N 3.02Å; Q1449-T1451 VanDerWaalsContact O-N 3.08Å |
| 1452 | Q | 42.3 | Very low | 48.9 | Very low | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -84.3 | -34.1 | 174.7 | -71.9 | -174.1 | -9.2 | 0 | 0 | 112.1 | Q1449 S1450 T1454 K1455 Q1456 | Q1449-Q1452 PolarHBondContact O-N 3.27Å; S1450-Q1452 VanDerWaalsContact C-N 3.32Å; S1450-Q1452 PolarHBondContact O-N 2.94Å; Q1452-T1454 PolarHBondContact O-N 2.88Å; Q1452-K1455 PolarHBondContact O-N 3.11Å; Q1452-Q1456 PolarHBondContact O-N 3.1Å |
| 1453 | S | 48 | Very low | 50.6 | Low | 43 Ų | 43 | 96.3 Ų | 96.3 | 30% | 0.301 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -35.2 | 172.3 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | Q1449 S1450 K1455 Q1456 T1457 | Q1449-S1453 PolarHBondContact O-N 3.43Å; S1450-S1453 PolarHBondContact O-N 3.48Å; S1450-S1453 PolarHBondContact O-OG 2.83Å; S1453-K1455 VanDerWaalsContact C-N 3.3Å; S1453-K1455 PolarHBondContact O-N 3.32Å; S1453-Q1456 PolarHBondContact O-N 2.82Å; S1453-T1457 WeakPolarHBondContact O-CG2 3.42Å; S1453-T1457 PolarHBondContact O-N 2.94Å; S1453-T1457 PolarHBondContact O-OG1 3.48Å; S1453-T1457 VanDerWaalsContact O-OG1 3.11Å |
| 1454 | T | 50.4 | Low | 52.6 | Low | 85 Ų | 85 | 91.8 Ų | 91.8 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 178.9 | -39.2 | 0 | 0 | 0 | 0 | 112 | S1450 Q1452 T1457 S1458 | S1450-T1454 PolarHBondContact O-N 2.76Å; S1450-T1454 VanDerWaalsContact O-N 3.08Å; S1450-T1454 PolarHBondContact O-OG1 3.36Å; Q1452-T1454 PolarHBondContact O-N 2.88Å; T1454-T1457 VanDerWaalsContact CA-OG1 3.25Å; T1454-T1457 WeakPolarHBondContact CA-OG1 3.45Å; T1454-T1457 PolarHBondContact O-OG1 3.19Å; T1454-S1458 VanDerWaalsContact O-CB 3.29Å; T1454-S1458 WeakPolarHBondContact O-CB 3.43Å; T1454-S1458 PolarHBondContact O-N 2.73Å |
| 1455 | K | 52.7 | Low | 54.6 | Low | 162 Ų | 162 | 89 Ų | 89 | 70% | 0.704 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.9 | -38.9 | 175.1 | -73.3 | -174.6 | 177 | -177.2 | 0 | 112 | Q1452 S1453 S1458 L1459 | Q1452-K1455 PolarHBondContact O-N 3.11Å; S1453-K1455 VanDerWaalsContact C-N 3.3Å; S1453-K1455 PolarHBondContact O-N 3.32Å; K1455-S1458 PolarHBondContact O-N 3.33Å; K1455-L1459 WeakPolarHBondContact O-CB 3.39Å; K1455-L1459 PolarHBondContact O-N 2.81Å |
| 1456 | Q | 53.2 | Low | 56.6 | Low | 122 Ų | 122 | 89.4 Ų | 89.4 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 173.9 | -80.2 | -177.5 | -17.4 | 0 | 0 | 111.6 | Q1452 S1453 L1459 L1460 | Q1452-Q1456 PolarHBondContact O-N 3.1Å; S1453-Q1456 PolarHBondContact O-N 2.82Å; Q1456-L1459 PolarHBondContact O-N 2.94Å; Q1456-L1460 WeakPolarHBondContact O-CB 3.42Å; Q1456-L1460 PolarHBondContact O-N 3.15Å |
| 1457 | T | 61.7 | Low | 58.3 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 175 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | S1453 T1454 L1460 E1461 | S1453-T1457 WeakPolarHBondContact O-CG2 3.42Å; S1453-T1457 PolarHBondContact O-N 2.94Å; S1453-T1457 PolarHBondContact O-OG1 3.48Å; S1453-T1457 VanDerWaalsContact O-OG1 3.11Å; T1454-T1457 VanDerWaalsContact CA-OG1 3.25Å; T1454-T1457 WeakPolarHBondContact CA-OG1 3.45Å; T1454-T1457 PolarHBondContact O-OG1 3.19Å; T1457-L1460 PolarHBondContact O-N 2.97Å; T1457-E1461 VanDerWaalsContact O-CB 3.24Å; T1457-E1461 WeakPolarHBondContact O-CB 3.09Å; T1457-E1461 PolarHBondContact O-N 3.5Å |
| 1458 | S | 66.2 | Low | 60.5 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 174.8 | 149.4 | 0 | 0 | 0 | 0 | 112.7 | T1454 K1455 L1460 E1461 E1462 | T1454-S1458 VanDerWaalsContact O-CB 3.29Å; T1454-S1458 WeakPolarHBondContact O-CB 3.43Å; T1454-S1458 PolarHBondContact O-N 2.73Å; K1455-S1458 PolarHBondContact O-N 3.33Å; S1458-L1460 VanDerWaalsContact C-N 3.3Å; S1458-L1460 PolarHBondContact O-N 3.19Å; S1458-E1461 PolarHBondContact O-N 2.84Å; S1458-E1462 PolarHBondContact O-N 3.1Å |
| 1459 | L | 70 | Confident | 62.6 | Low | 88 Ų | 88 | 81.2 Ų | 81.2 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 178.3 | -155.8 | 88.8 | 0 | 0 | 0 | 111.7 | L1420 K1455 Q1456 E1461 S1463 | L1420-L1459 HydrophobicContact CD1-CD2 4.44Å; K1455-L1459 WeakPolarHBondContact O-CB 3.39Å; K1455-L1459 PolarHBondContact O-N 2.81Å; Q1456-L1459 PolarHBondContact O-N 2.94Å; L1459-E1461 VanDerWaalsContact C-N 3.34Å; L1459-S1463 WeakPolarHBondContact O-CB 3.21Å; L1459-S1463 PolarHBondContact O-N 3.42Å; L1459-S1463 PolarHBondContact O-OG 3.32Å |
| 1460 | L | 70.5 | Confident | 64.4 | Low | 30 Ų | 30 | 77.1 Ų | 77.1 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69 | -35.5 | 174.8 | -162.2 | 140.6 | 0 | 0 | 0 | 110.8 | F1418 Q1456 T1457 S1458 S1463 L1464 I1495 L1499 | F1418-L1460 HydrophobicContact CD2-CD1 3.91Å; F1418-L1460 HydrophobicContact CD2-CG 4.44Å; F1418-L1460 HydrophobicContact CE2-CD1 3.88Å; Q1456-L1460 WeakPolarHBondContact O-CB 3.42Å; Q1456-L1460 PolarHBondContact O-N 3.15Å; T1457-L1460 PolarHBondContact O-N 2.97Å; S1458-L1460 VanDerWaalsContact C-N 3.3Å; S1458-L1460 PolarHBondContact O-N 3.19Å; L1460-S1463 WeakPolarHBondContact CA-OG 3.24Å; L1460-S1463 PolarHBondContact O-OG 3.25Å; L1460-S1463 VanDerWaalsContact O-OG 3.08Å; L1460-L1464 HydrophobicContact CD2-CD1 3.57Å; L1460-L1464 HydrophobicContact CD2-CG 4.12Å; L1460-L1464 WeakPolarHBondContact O-CB 3.3Å; L1460-L1464 WeakPolarHBondContact O-CG 3.28Å; L1460-L1464 PolarHBondContact O-N 2.98Å; L1460-I1495 HydrophobicContact CD2-CG2 4.03Å; L1460-L1499 HydrophobicContact CD1-CD1 4.08Å; L1460-L1499 HydrophobicContact CD1-CD2 4.29Å; L1460-L1499 HydrophobicContact CD2-CD1 4.18Å |
| 1461 | E | 74.2 | Confident | 65.7 | Low | 111 Ų | 111 | 78.4 Ų | 78.4 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 176.6 | -161 | 159.7 | -152.7 | 0 | 0 | 112 | T1457 S1458 L1459 L1464 V1465 | T1457-E1461 VanDerWaalsContact O-CB 3.24Å; T1457-E1461 WeakPolarHBondContact O-CB 3.09Å; T1457-E1461 PolarHBondContact O-N 3.5Å; S1458-E1461 PolarHBondContact O-N 2.84Å; L1459-E1461 VanDerWaalsContact C-N 3.34Å; E1461-L1464 PolarHBondContact O-N 3.38Å; E1461-V1465 WeakPolarHBondContact O-CG2 3.23Å; E1461-V1465 PolarHBondContact O-N 3.33Å |
| 1462 | E | 74.1 | Confident | 67.1 | Low | 122 Ų | 122 | 75.5 Ų | 75.5 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.5 | -47.6 | 171.1 | -76.1 | 177.3 | 177 | 0 | 0 | 111.7 | S1458 L1464 V1465 E1466 | S1458-E1462 PolarHBondContact O-N 3.1Å; E1462-L1464 VanDerWaalsContact C-N 3.31Å; E1462-L1464 PolarHBondContact O-N 3.18Å; E1462-V1465 WeakPolarHBondContact O-CB 3.34Å; E1462-V1465 PolarHBondContact O-N 3.2Å; E1462-E1466 PolarHBondContact O-N 3.39Å |
| 1463 | S | 75.5 | Confident | 68.1 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.5 | -23.1 | 179.1 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | L1459 L1460 L1467 | L1459-S1463 WeakPolarHBondContact O-CB 3.21Å; L1459-S1463 PolarHBondContact O-N 3.42Å; L1459-S1463 PolarHBondContact O-OG 3.32Å; L1460-S1463 WeakPolarHBondContact CA-OG 3.24Å; L1460-S1463 PolarHBondContact O-OG 3.25Å; L1460-S1463 VanDerWaalsContact O-OG 3.08Å; S1463-L1467 PolarHBondContact O-N 2.75Å |
| 1464 | L | 77.3 | Confident | 68.9 | Low | 7 Ų | 7 | 75.6 Ų | 75.6 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -72 | -39.6 | 168.2 | -77.6 | 171.5 | 0 | 0 | 0 | 111.7 | P1415 L1460 E1461 E1462 E1466 L1467 D1468 R1492 I1495 | P1415-L1464 HydrophobicContact CG-CD2 4Å; P1415-L1464 HydrophobicContact CG-CG 4.39Å; L1460-L1464 HydrophobicContact CD2-CD1 3.57Å; L1460-L1464 HydrophobicContact CD2-CG 4.12Å; L1460-L1464 WeakPolarHBondContact O-CB 3.3Å; L1460-L1464 WeakPolarHBondContact O-CG 3.28Å; L1460-L1464 PolarHBondContact O-N 2.98Å; E1461-L1464 PolarHBondContact O-N 3.38Å; E1462-L1464 VanDerWaalsContact C-N 3.31Å; E1462-L1464 PolarHBondContact O-N 3.18Å; L1464-E1466 VanDerWaalsContact C-N 3.32Å; L1464-E1466 PolarHBondContact O-N 3.38Å; L1464-L1467 PolarHBondContact O-N 3.41Å; L1464-L1467 VanDerWaalsContact O-N 3.17Å; L1464-D1468 WeakPolarHBondContact O-CB 3.26Å; L1464-D1468 PolarHBondContact O-N 2.93Å; L1464-R1492 HydrophobicContact CD1-CG 4.36Å; L1464-I1495 HydrophobicContact CD2-CD1 3.67Å |
| 1465 | V | 78 | Confident | 69.5 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 40% | 0.4 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | E1461 E1462 L1467 D1468 N1469 | E1461-V1465 WeakPolarHBondContact O-CG2 3.23Å; E1461-V1465 PolarHBondContact O-N 3.33Å; E1462-V1465 WeakPolarHBondContact O-CB 3.34Å; E1462-V1465 PolarHBondContact O-N 3.2Å; V1465-L1467 VanDerWaalsContact C-N 3.34Å; V1465-L1467 PolarHBondContact O-N 2.93Å; V1465-D1468 PolarHBondContact O-N 3.23Å; V1465-N1469 PolarHBondContact O-N 2.78Å; V1465-N1469 VanDerWaalsContact O-N 3.12Å; V1465-N1469 PolarHBondContact O-ND2 2.82Å |
| 1466 | E | 74.3 | Confident | 69.9 | Low | 150 Ų | 150 | 74.5 Ų | 74.5 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 172.2 | -72.2 | -174.7 | 166 | 0 | 0 | 112.6 | E1462 L1464 D1468 N1469 | E1462-E1466 PolarHBondContact O-N 3.39Å; L1464-E1466 VanDerWaalsContact C-N 3.32Å; L1464-E1466 PolarHBondContact O-N 3.38Å; E1466-D1468 VanDerWaalsContact C-N 3.3Å; E1466-D1468 PolarHBondContact O-N 3.47Å; E1466-N1469 PolarHBondContact O-N 2.79Å |
| 1467 | L | 75.9 | Confident | 70.2 | Confident | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.126 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.2 | -28 | 178.7 | -136.3 | 80.6 | 0 | 0 | 0 | 112.7 | K1413 P1415 S1463 L1464 V1465 | K1413-L1467 HydrophobicContact CB-CD2 4.38Å; K1413-L1467 HydrophobicContact CD-CD2 4.47Å; K1413-L1467 HydrophobicContact CG-CD2 4.12Å; P1415-L1467 HydrophobicContact CG-CD2 4.38Å; S1463-L1467 PolarHBondContact O-N 2.75Å; L1464-L1467 PolarHBondContact O-N 3.41Å; L1464-L1467 VanDerWaalsContact O-N 3.17Å; V1465-L1467 VanDerWaalsContact C-N 3.34Å; V1465-L1467 PolarHBondContact O-N 2.93Å |
| 1468 | D | 79.1 | Confident | 70.5 | Confident | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -75.1 | -28.4 | 176.9 | -68.8 | -10.6 | 0 | 0 | 0 | 111.5 | L1464 V1465 E1466 D1470 W1484 R1491 R1492 | L1464-D1468 WeakPolarHBondContact O-CB 3.26Å; L1464-D1468 PolarHBondContact O-N 2.93Å; V1465-D1468 PolarHBondContact O-N 3.23Å; E1466-D1468 VanDerWaalsContact C-N 3.3Å; E1466-D1468 PolarHBondContact O-N 3.47Å; D1468-D1470 VanDerWaalsContact C-N 3.28Å; D1468-D1470 PolarHBondContact O-N 2.77Å; D1468-W1484 PolarHBondContact O-NE1 3.13Å; D1468-R1491 IonicContact OD1-CZ 3.6Å; D1468-R1491 VanDerWaalsContact OD1-CZ 3.29Å; D1468-R1491 IonicContact OD1-NH1 3.72Å; D1468-R1491 PolarHBondContact OD1-NH1 3Å; D1468-R1491 IonicContact OD1-NH2 2.72Å; D1468-R1491 PolarHBondContact OD1-NH2 3.42Å; D1468-R1492 IonicContact OD2-CZ 2.64Å; D1468-R1492 IonicContact OD2-NE 2.59Å; D1468-R1492 PolarHBondContact OD2-NE 2.74Å; D1468-R1492 IonicContact OD2-NH2 3.33Å; D1468-R1492 PolarHBondContact OD2-NH2 2.85Å |
| 1469 | N | 75.5 | Confident | 70.6 | Confident | 123 Ų | 123 | 73.1 Ų | 73.1 | 66% | 0.658 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 18.4 | 176.5 | -72.1 | -23.3 | 0 | 0 | 0 | 113.9 | V1465 E1466 P1471 | V1465-N1469 PolarHBondContact O-N 2.78Å; V1465-N1469 VanDerWaalsContact O-N 3.12Å; V1465-N1469 PolarHBondContact O-ND2 2.82Å; E1466-N1469 PolarHBondContact O-N 2.79Å; N1469-P1471 WeakPolarHBondContact O-CD 3.32Å |
| 1470 | D | 73 | Confident | 70.8 | Confident | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.203 | 41% | 0.405 | C | S | . | . | trans | -64.7 | 117.1 | -178.1 | -167.3 | -30.8 | 0 | 0 | 0 | 111.1 | K1413 D1468 S1472 H1473 | K1413-D1470 IonicContact NZ-OD2 2.97Å; K1413-D1470 PolarHBondContact NZ-OD2 2.8Å; D1468-D1470 VanDerWaalsContact C-N 3.28Å; D1468-D1470 PolarHBondContact O-N 2.77Å; D1470-S1472 PolarHBondContact O-N 3.48Å; D1470-S1472 WeakPolarHBondContact OD1-CB 3.38Å; D1470-S1472 PolarHBondContact OD1-N 3.43Å; D1470-S1472 VanDerWaalsContact OD1-N 3.13Å; D1470-S1472 PolarHBondContact OD1-OG 3.28Å; D1470-S1472 PolarHBondContact OD2-OG 3.34Å; D1470-H1473 PolarHBondContact O-N 2.92Å | ||
| 1471 | P | 67.7 | Low | 71.1 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -66 | -10 | -175.7 | 25.8 | -33.9 | 0 | 0 | 0 | 113.6 | N1469 H1473 E1474 | N1469-P1471 WeakPolarHBondContact O-CD 3.32Å; P1471-H1473 PolarHBondContact O-N 3.49Å; P1471-E1474 PolarHBondContact O-N 3.33Å |
| 1472 | S | 68.7 | Low | 71.4 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -62.2 | -21.2 | 176.1 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | D1470 Q1475 | D1470-S1472 PolarHBondContact O-N 3.48Å; D1470-S1472 WeakPolarHBondContact OD1-CB 3.38Å; D1470-S1472 PolarHBondContact OD1-N 3.43Å; D1470-S1472 VanDerWaalsContact OD1-N 3.13Å; D1470-S1472 PolarHBondContact OD1-OG 3.28Å; D1470-S1472 PolarHBondContact OD2-OG 3.34Å; S1472-Q1475 PolarHBondContact O-N 3.37Å |
| 1473 | H | 64.1 | Low | 71.7 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.065 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -61.3 | -42.2 | 174.5 | 152.7 | -88 | 0 | 0 | 0 | 112.6 | D1470 P1471 Q1475 Q1476 C1479 N1481 W1484 | D1470-H1473 PolarHBondContact O-N 2.92Å; P1471-H1473 PolarHBondContact O-N 3.49Å; H1473-Q1475 PolarHBondContact O-N 2.85Å; H1473-Q1476 PolarHBondContact O-N 3.16Å; H1473-C1479 PolarHBondContact CD2-SG 3.36Å; H1473-C1479 PolarHBondContact NE2-O 3.47Å; H1473-N1481 PolarHBondContact CE1-OD1 3.45Å; H1473-W1484 HydrophobicContact CB-CD2 4.09Å; H1473-W1484 HydrophobicContact CB-CE3 4.19Å; H1473-W1484 HydrophobicContact CB-CZ2 4.46Å; H1473-W1484 HydrophobicContact CB-CZ3 4.42Å; H1473-W1484 AromaticContact CD2-CD2 3.85Å; H1473-W1484 AromaticContact CD2-CG 3.64Å |
| 1474 | E | 65.7 | Low | 72 | Confident | 162 Ų | 162 | 70.7 Ų | 70.7 | 76% | 0.757 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.4 | -175.3 | -63.3 | -178.1 | 170.3 | 0 | 0 | 113 | P1471 | P1471-E1474 PolarHBondContact O-N 3.33Š|
| 1475 | Q | 63 | Low | 72.2 | Confident | 165 Ų | 165 | 74 Ų | 74 | 77% | 0.771 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.8 | -177.7 | -62.2 | -177.2 | -4.2 | 0 | 0 | 113.2 | S1472 H1473 | S1472-Q1475 PolarHBondContact O-N 3.37Å; H1473-Q1475 PolarHBondContact O-N 2.85Å |
| 1476 | Q | 60.6 | Low | 72.5 | Confident | 59 Ų | 59 | 76 Ų | 76 | 28% | 0.276 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -97 | 117.9 | 178.7 | -72.9 | -137.4 | -26.4 | 0 | 0 | 112.1 | F1406 H1473 G1478 C1479 | F1406-Q1476 VanDerWaalsContact CD2-NE2 3.35Å; F1406-Q1476 HydrophobicContact CE2-CG 4.41Å; F1406-Q1476 HydrophobicContact CZ-CG 4.48Å; H1473-Q1476 PolarHBondContact O-N 3.16Å; Q1476-G1478 PolarHBondContact O-N 3.41Å; Q1476-G1478 VanDerWaalsContact O-N 3.17Å; Q1476-C1479 HydrophobicContact CB-CB 4.42Å; Q1476-C1479 PolarHBondContact O-N 2.99Å |
| 1477 | P | 58.8 | Low | 73 | Confident | 132 Ų | 132 | 69 Ų | 69 | 86% | 0.857 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 119.5 | 175 | -18.5 | 29.9 | 0 | 0 | 0 | 111.2 | ||
| 1478 | G | 67.6 | Low | 73.4 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | -0.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q1476 D1480 | Q1476-G1478 PolarHBondContact O-N 3.41Å; Q1476-G1478 VanDerWaalsContact O-N 3.17Å; G1478-D1480 PolarHBondContact O-N 3.2Å |
| 1479 | C | 68.5 | Low | 73.7 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | trans | -88.7 | 102.3 | 172.6 | -152.8 | 0 | 0 | 0 | 0 | 110.2 | L1403 H1473 Q1476 | L1403-C1479 HydrophobicContact CD1-CB 4.34Å; H1473-C1479 PolarHBondContact CD2-SG 3.36Å; H1473-C1479 PolarHBondContact NE2-O 3.47Å; Q1476-C1479 HydrophobicContact CB-CB 4.42Å; Q1476-C1479 PolarHBondContact O-N 2.99Å | ||
| 1480 | D | 74.2 | Confident | 74.1 | Confident | 105 Ų | 105 | 63.6 Ų | 63.6 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | trans | -83.9 | 153.5 | 174.4 | -175.4 | 23.8 | 0 | 0 | 0 | 111.2 | G1478 A1482 L1483 W1484 | G1478-D1480 PolarHBondContact O-N 3.2Å; D1480-A1482 PolarHBondContact O-N 3.05Å; D1480-A1482 VanDerWaalsContact O-N 3.16Å; D1480-L1483 WeakPolarHBondContact O-CA 3.49Å; D1480-L1483 WeakPolarHBondContact O-CB 3.46Å; D1480-L1483 PolarHBondContact O-N 3.23Å; D1480-W1484 PolarHBondContact O-N 2.71Å | ||
| 1481 | N | 77.7 | Confident | 74.8 | Confident | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.4 | -33.7 | 178.9 | -80.2 | -21.4 | 0 | 0 | 0 | 112.5 | H1473 S1485 | H1473-N1481 PolarHBondContact CE1-OD1 3.45Å; N1481-S1485 WeakPolarHBondContact O-CB 3.36Å; N1481-S1485 PolarHBondContact O-N 3.49Å; N1481-S1485 PolarHBondContact O-OG 2.9Å |
| 1482 | A | 79.1 | Confident | 75.7 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1480 R1486 | D1480-A1482 PolarHBondContact O-N 3.05Å; D1480-A1482 VanDerWaalsContact O-N 3.16Å; A1482-R1486 PolarHBondContact O-N 2.98Å |
| 1483 | L | 80.5 | Confident | 76.4 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 177 | 177.3 | 63 | 0 | 0 | 0 | 111.2 | F1396 I1399 L1403 I1407 D1480 S1485 R1486 L1487 | F1396-L1483 HydrophobicContact CD1-CD1 4.03Å; F1396-L1483 HydrophobicContact CE1-CD1 3.93Å; I1399-L1483 HydrophobicContact CD1-CD1 3.18Å; I1399-L1483 HydrophobicContact CD1-CD2 3.88Å; I1399-L1483 HydrophobicContact CD1-CG 4.13Å; I1399-L1483 HydrophobicContact CG1-CD1 4.43Å; L1403-L1483 HydrophobicContact CD2-CD2 4.23Å; I1407-L1483 HydrophobicContact CD1-CD1 4.29Å; I1407-L1483 HydrophobicContact CD1-CD2 4.2Å; I1407-L1483 HydrophobicContact CD1-CG 4.48Å; D1480-L1483 WeakPolarHBondContact O-CA 3.49Å; D1480-L1483 WeakPolarHBondContact O-CB 3.46Å; D1480-L1483 PolarHBondContact O-N 3.23Å; L1483-S1485 VanDerWaalsContact C-N 3.34Å; L1483-S1485 PolarHBondContact O-N 3.31Å; L1483-R1486 WeakPolarHBondContact O-CB 3.27Å; L1483-R1486 PolarHBondContact O-N 3.06Å; L1483-L1487 PolarHBondContact O-N 3.33Å; L1483-L1487 VanDerWaalsContact O-N 3.09Å |
| 1484 | W | 82.1 | Confident | 77.5 | Confident | 26 Ų | 26 | 66 Ų | 66 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 175.1 | -173.4 | -115.2 | 0 | 0 | 0 | 111.8 | F1406 A1410 D1468 H1473 D1480 R1486 L1487 C1488 | F1406-W1484 AromaticContact CE1-CZ3 3.95Å; F1406-W1484 HydrophobicContact CE1-CZ3 3.95Å; F1406-W1484 HydrophobicContact CZ-CZ3 4.12Å; A1410-W1484 HydrophobicContact CB-CZ3 4.26Å; D1468-W1484 PolarHBondContact O-NE1 3.13Å; H1473-W1484 HydrophobicContact CB-CD2 4.09Å; H1473-W1484 HydrophobicContact CB-CE3 4.19Å; H1473-W1484 HydrophobicContact CB-CZ2 4.46Å; H1473-W1484 HydrophobicContact CB-CZ3 4.42Å; H1473-W1484 AromaticContact CD2-CD2 3.85Å; H1473-W1484 AromaticContact CD2-CG 3.64Å; D1480-W1484 PolarHBondContact O-N 2.71Å; W1484-R1486 VanDerWaalsContact C-N 3.34Å; W1484-R1486 PolarHBondContact O-N 3.37Å; W1484-L1487 HydrophobicContact CE3-CD2 4.01Å; W1484-L1487 HydrophobicContact CZ3-CD2 3.94Å; W1484-L1487 WeakPolarHBondContact O-CB 3.42Å; W1484-L1487 PolarHBondContact O-N 3.24Å; W1484-C1488 PolarHBondContact O-N 3.21Å; W1484-C1488 PolarHBondContact O-SG 3.12Å |
| 1485 | S | 81.8 | Confident | 78.4 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | N1481 L1483 C1488 A1489 | N1481-S1485 WeakPolarHBondContact O-CB 3.36Å; N1481-S1485 PolarHBondContact O-N 3.49Å; N1481-S1485 PolarHBondContact O-OG 2.9Å; L1483-S1485 VanDerWaalsContact C-N 3.34Å; L1483-S1485 PolarHBondContact O-N 3.31Å; S1485-C1488 PolarHBondContact O-N 2.78Å; S1485-A1489 WeakPolarHBondContact O-CB 3.33Å; S1485-A1489 PolarHBondContact O-N 2.91Å |
| 1486 | R | 84.1 | Confident | 79.4 | Confident | 108 Ų | 108 | 54.5 Ų | 54.5 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.3 | -165.2 | -173.4 | -55.3 | 165.4 | 5.9 | 111.4 | F1396 D1398 A1482 L1483 W1484 A1489 A1490 | F1396-R1486 HydrophobicContact CE1-CB 4.23Å; F1396-R1486 HydrophobicContact CE1-CG 4.09Å; F1396-R1486 HydrophobicContact CZ-CB 4.25Å; F1396-R1486 HydrophobicContact CZ-CG 3.91Å; D1398-R1486 IonicContact OD1-NH1 2.71Å; D1398-R1486 IonicContact OD2-CZ 3.84Å; D1398-R1486 IonicContact OD2-NH1 3.81Å; D1398-R1486 PolarHBondContact OD2-NH1 3.1Å; A1482-R1486 PolarHBondContact O-N 2.98Å; L1483-R1486 WeakPolarHBondContact O-CB 3.27Å; L1483-R1486 PolarHBondContact O-N 3.06Å; W1484-R1486 VanDerWaalsContact C-N 3.34Å; W1484-R1486 PolarHBondContact O-N 3.37Å; R1486-A1489 PolarHBondContact O-N 3.33Å; R1486-A1490 PolarHBondContact O-N 2.72Å |
| 1487 | L | 84.9 | Confident | 80.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 176.3 | 174.7 | 60.8 | 0 | 0 | 0 | 112.4 | F1396 I1407 A1410 Y1411 L1483 W1484 A1489 A1490 R1491 | F1396-L1487 HydrophobicContact CE1-CB 4.34Å; F1396-L1487 HydrophobicContact CZ-CB 4.17Å; F1396-L1487 HydrophobicContact CZ-CD1 4.48Å; I1407-L1487 HydrophobicContact CG1-CD2 4.45Å; I1407-L1487 HydrophobicContact CG2-CD1 3.7Å; I1407-L1487 HydrophobicContact CG2-CD2 4.33Å; A1410-L1487 HydrophobicContact CB-CD2 3.72Å; Y1411-L1487 HydrophobicContact CD2-CD1 4.18Å; Y1411-L1487 HydrophobicContact CG-CD1 4.49Å; L1483-L1487 PolarHBondContact O-N 3.33Å; L1483-L1487 VanDerWaalsContact O-N 3.09Å; W1484-L1487 HydrophobicContact CE3-CD2 4.01Å; W1484-L1487 HydrophobicContact CZ3-CD2 3.94Å; W1484-L1487 WeakPolarHBondContact O-CB 3.42Å; W1484-L1487 PolarHBondContact O-N 3.24Å; L1487-A1489 VanDerWaalsContact C-N 3.32Å; L1487-A1489 PolarHBondContact O-N 3.46Å; L1487-A1490 PolarHBondContact O-N 2.78Å; L1487-R1491 VanDerWaalsContact O-CB 3.31Å; L1487-R1491 WeakPolarHBondContact O-CB 3.39Å; L1487-R1491 PolarHBondContact O-N 3.03Å |
| 1488 | C | 84.6 | Confident | 81.9 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.2 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | W1484 S1485 R1491 R1492 | W1484-C1488 PolarHBondContact O-N 3.21Å; W1484-C1488 PolarHBondContact O-SG 3.12Å; S1485-C1488 PolarHBondContact O-N 2.78Å; C1488-R1491 PolarHBondContact O-N 2.94Å; C1488-R1491 PolarHBondContact SG-NH2 2.83Å; C1488-R1492 WeakPolarHBondContact O-CB 3.35Å; C1488-R1492 WeakPolarHBondContact O-CG 3.44Å; C1488-R1492 PolarHBondContact O-N 3.15Å |
| 1489 | A | 85 | Confident | 82.6 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 37% | 0.372 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1485 R1486 L1487 R1491 R1492 R1493 | S1485-A1489 WeakPolarHBondContact O-CB 3.33Å; S1485-A1489 PolarHBondContact O-N 2.91Å; R1486-A1489 PolarHBondContact O-N 3.33Å; L1487-A1489 VanDerWaalsContact C-N 3.32Å; L1487-A1489 PolarHBondContact O-N 3.46Å; A1489-R1491 PolarHBondContact O-N 2.88Å; A1489-R1492 PolarHBondContact O-N 3.44Å; A1489-R1493 WeakPolarHBondContact O-CG 3.35Å; A1489-R1493 PolarHBondContact O-N 2.89Å |
| 1490 | A | 85.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1392 F1396 Y1411 R1486 L1487 R1493 K1494 | L1392-A1490 HydrophobicContact CD1-CB 4.47Å; F1396-A1490 HydrophobicContact CE2-CB 4.2Å; Y1411-A1490 HydrophobicContact CD2-CB 4.38Å; Y1411-A1490 HydrophobicContact CE2-CB 3.97Å; R1486-A1490 PolarHBondContact O-N 2.72Å; L1487-A1490 PolarHBondContact O-N 2.78Å; A1490-R1493 PolarHBondContact O-N 3.38Å; A1490-K1494 PolarHBondContact O-N 2.83Å; A1490-K1494 VanDerWaalsContact O-N 3.09Å |
| 1491 | R | 87.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.5 | 173 | 170.7 | 45 | 124.8 | -0.1 | 111.8 | A1410 Y1411 D1468 L1487 C1488 A1489 R1493 K1494 I1495 | A1410-R1491 WeakPolarHBondContact O-CD 3.47Å; Y1411-R1491 HydrophobicContact CD2-CB 4.07Å; D1468-R1491 IonicContact OD1-CZ 3.6Å; D1468-R1491 VanDerWaalsContact OD1-CZ 3.29Å; D1468-R1491 IonicContact OD1-NH1 3.72Å; D1468-R1491 PolarHBondContact OD1-NH1 3Å; D1468-R1491 IonicContact OD1-NH2 2.72Å; D1468-R1491 PolarHBondContact OD1-NH2 3.42Å; L1487-R1491 VanDerWaalsContact O-CB 3.31Å; L1487-R1491 WeakPolarHBondContact O-CB 3.39Å; L1487-R1491 PolarHBondContact O-N 3.03Å; C1488-R1491 PolarHBondContact O-N 2.94Å; C1488-R1491 PolarHBondContact SG-NH2 2.83Å; A1489-R1491 PolarHBondContact O-N 2.88Å; R1491-R1493 PolarHBondContact O-N 3.12Å; R1491-K1494 PolarHBondContact O-N 3.48Å; R1491-I1495 HydrophobicContact CG-CD1 3.74Å; R1491-I1495 HydrophobicContact CG-CG1 4.46Å; R1491-I1495 WeakPolarHBondContact O-CB 3.48Å; R1491-I1495 VanDerWaalsContact O-CG1 3.3Å; R1491-I1495 WeakPolarHBondContact O-CG1 3.48Å; R1491-I1495 PolarHBondContact O-N 3.01Å |
| 1492 | R | 85 | Confident | 84.2 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 28% | 0.275 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.6 | -74.9 | -179.8 | -179.3 | -135.8 | 4.5 | 111.6 | L1464 D1468 C1488 A1489 K1494 I1495 N1496 | L1464-R1492 HydrophobicContact CD1-CG 4.36Å; D1468-R1492 IonicContact OD2-CZ 2.64Å; D1468-R1492 IonicContact OD2-NE 2.59Å; D1468-R1492 PolarHBondContact OD2-NE 2.74Å; D1468-R1492 IonicContact OD2-NH2 3.33Å; D1468-R1492 PolarHBondContact OD2-NH2 2.85Å; C1488-R1492 WeakPolarHBondContact O-CB 3.35Å; C1488-R1492 WeakPolarHBondContact O-CG 3.44Å; C1488-R1492 PolarHBondContact O-N 3.15Å; A1489-R1492 PolarHBondContact O-N 3.44Å; R1492-K1494 PolarHBondContact O-N 3.49Å; R1492-I1495 PolarHBondContact O-N 3.42Å; R1492-N1496 VanDerWaalsContact O-CG 3.29Å; R1492-N1496 PolarHBondContact O-N 3.33Å |
| 1493 | R | 84.8 | Confident | 84.4 | Confident | 143 Ų | 143 | 49.6 Ų | 49.6 | 54% | 0.54 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 175.9 | -73.1 | -179.8 | -172.7 | 158.3 | 1.6 | 112.5 | M1388 E1395 A1489 A1490 R1491 N1496 K1497 | M1388-R1493 HydrophobicContact CE-CB 3.84Å; E1395-R1493 IonicContact OE1-NH1 4Å; A1489-R1493 WeakPolarHBondContact O-CG 3.35Å; A1489-R1493 PolarHBondContact O-N 2.89Å; A1490-R1493 PolarHBondContact O-N 3.38Å; R1491-R1493 PolarHBondContact O-N 3.12Å; R1493-N1496 PolarHBondContact O-N 2.81Å; R1493-K1497 PolarHBondContact O-N 3.34Å; R1493-K1497 VanDerWaalsContact O-N 3.17Å |
| 1494 | K | 87 | Confident | 84.6 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 177.7 | -172.4 | 178 | -178.5 | -154.2 | 0 | 111.8 | E1389 Y1411 A1490 R1491 R1492 N1496 K1497 E1498 | E1389-K1494 HydrophobicContact CG-CD 4.36Å; E1389-K1494 IonicContact OE1-NZ 3.98Å; E1389-K1494 PolarHBondContact OE1-NZ 3.21Å; Y1411-K1494 HydrophobicContact CE1-CD 3.45Å; Y1411-K1494 VanDerWaalsContact CE1-CD 3.45Å; Y1411-K1494 HydrophobicContact CE2-CB 4.3Å; Y1411-K1494 VanDerWaalsContact CZ-CD 3.5Å; Y1411-K1494 WeakPolarHBondContact OH-CB 3.48Å; Y1411-K1494 VanDerWaalsContact OH-CD 3.26Å; Y1411-K1494 WeakPolarHBondContact OH-CD 3.5Å; A1490-K1494 PolarHBondContact O-N 2.83Å; A1490-K1494 VanDerWaalsContact O-N 3.09Å; R1491-K1494 PolarHBondContact O-N 3.48Å; R1492-K1494 PolarHBondContact O-N 3.49Å; K1494-N1496 VanDerWaalsContact C-N 3.26Å; K1494-N1496 PolarHBondContact O-N 3.46Å; K1494-K1497 PolarHBondContact O-N 3.13Å; K1494-K1497 VanDerWaalsContact O-N 3.14Å; K1494-E1498 WeakPolarHBondContact CE-OE1 3.28Å; K1494-E1498 HydrophobicContact CG-CG 4.35Å; K1494-E1498 IonicContact NZ-OE1 3.87Å; K1494-E1498 PolarHBondContact NZ-OE1 2.78Å; K1494-E1498 WeakPolarHBondContact O-CG 3.4Å; K1494-E1498 PolarHBondContact O-N 2.82Å |
| 1495 | I | 84.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 178.1 | -72.3 | 172.1 | 0 | 0 | 0 | 111.3 | F1418 L1460 L1464 R1491 R1492 E1498 L1499 | F1418-I1495 HydrophobicContact CE2-CG2 3.57Å; F1418-I1495 HydrophobicContact CZ-CG1 4.49Å; F1418-I1495 HydrophobicContact CZ-CG2 4Å; L1460-I1495 HydrophobicContact CD2-CG2 4.03Å; L1464-I1495 HydrophobicContact CD2-CD1 3.67Å; R1491-I1495 HydrophobicContact CG-CD1 3.74Å; R1491-I1495 HydrophobicContact CG-CG1 4.46Å; R1491-I1495 WeakPolarHBondContact O-CB 3.48Å; R1491-I1495 VanDerWaalsContact O-CG1 3.3Å; R1491-I1495 WeakPolarHBondContact O-CG1 3.48Å; R1491-I1495 PolarHBondContact O-N 3.01Å; R1492-I1495 PolarHBondContact O-N 3.42Å; I1495-E1498 PolarHBondContact O-N 2.74Å; I1495-L1499 HydrophobicContact CG2-CD1 4.29Å; I1495-L1499 WeakPolarHBondContact O-CG 3.05Å; I1495-L1499 PolarHBondContact O-N 2.75Å |
| 1496 | N | 83.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 176 | -70.6 | -10.4 | 0 | 0 | 0 | 112.5 | R1492 R1493 K1494 L1499 E1500 | R1492-N1496 VanDerWaalsContact O-CG 3.29Å; R1492-N1496 PolarHBondContact O-N 3.33Å; R1493-N1496 PolarHBondContact O-N 2.81Å; K1494-N1496 VanDerWaalsContact C-N 3.26Å; K1494-N1496 PolarHBondContact O-N 3.46Å; N1496-L1499 WeakPolarHBondContact O-CB 3.09Å; N1496-L1499 PolarHBondContact O-N 2.78Å; N1496-E1500 PolarHBondContact O-N 3.36Å |
| 1497 | K | 85.6 | Confident | 84.8 | Confident | 52 Ų | 52 | 53 Ų | 53 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68 | -38.1 | 174.3 | -87.7 | -54.2 | -168.6 | -172.8 | 0 | 113.4 | L1381 R1493 K1494 L1499 E1500 I1501 | L1381-K1497 HydrophobicContact CD2-CD 4.37Å; R1493-K1497 PolarHBondContact O-N 3.34Å; R1493-K1497 VanDerWaalsContact O-N 3.17Å; K1494-K1497 PolarHBondContact O-N 3.13Å; K1494-K1497 VanDerWaalsContact O-N 3.14Å; K1497-L1499 PolarHBondContact O-N 3.42Å; K1497-E1500 HydrophobicContact CD-CB 4.43Å; K1497-E1500 VanDerWaalsContact CD-OE2 3.28Å; K1497-E1500 WeakPolarHBondContact CD-OE2 3.31Å; K1497-E1500 WeakPolarHBondContact CE-OE2 2.99Å; K1497-E1500 IonicContact NZ-OE2 2.9Å; K1497-E1500 PolarHBondContact NZ-OE2 2.81Å; K1497-E1500 PolarHBondContact O-N 3Å; K1497-I1501 WeakPolarHBondContact O-CG1 3.37Å; K1497-I1501 PolarHBondContact O-N 3Å |
| 1498 | E | 85.6 | Confident | 84.8 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 171.2 | -72.6 | 174.4 | -174.1 | 0 | 0 | 111 | R1414 K1494 I1495 K1502 | R1414-E1498 IonicContact CZ-OE1 2.8Å; R1414-E1498 IonicContact CZ-OE2 3.48Å; R1414-E1498 IonicContact NE-OE1 2.75Å; R1414-E1498 IonicContact NE-OE2 3.89Å; R1414-E1498 PolarHBondContact NE-OE2 3.15Å; R1414-E1498 IonicContact NH2-OE1 2.89Å; R1414-E1498 PolarHBondContact NH2-OE1 3.03Å; R1414-E1498 IonicContact NH2-OE2 2.66Å; R1414-E1498 PolarHBondContact NH2-OE2 2.94Å; K1494-E1498 WeakPolarHBondContact CE-OE1 3.28Å; K1494-E1498 HydrophobicContact CG-CG 4.35Å; K1494-E1498 IonicContact NZ-OE1 3.87Å; K1494-E1498 PolarHBondContact NZ-OE1 2.78Å; K1494-E1498 WeakPolarHBondContact O-CG 3.4Å; K1494-E1498 PolarHBondContact O-N 2.82Å; I1495-E1498 PolarHBondContact O-N 2.74Å; E1498-K1502 WeakPolarHBondContact O-CB 3.14Å; E1498-K1502 VanDerWaalsContact O-CG 3.28Å; E1498-K1502 WeakPolarHBondContact O-CG 3.22Å; E1498-K1502 PolarHBondContact O-N 3.45Å |
| 1499 | L | 83.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 174.2 | -72 | 170 | 0 | 0 | 0 | 112.4 | L1460 I1495 N1496 K1497 K1502 F1503 | L1460-L1499 HydrophobicContact CD1-CD1 4.08Å; L1460-L1499 HydrophobicContact CD1-CD2 4.29Å; L1460-L1499 HydrophobicContact CD2-CD1 4.18Å; I1495-L1499 HydrophobicContact CG2-CD1 4.29Å; I1495-L1499 WeakPolarHBondContact O-CG 3.05Å; I1495-L1499 PolarHBondContact O-N 2.75Å; N1496-L1499 WeakPolarHBondContact O-CB 3.09Å; N1496-L1499 PolarHBondContact O-N 2.78Å; K1497-L1499 PolarHBondContact O-N 3.42Å; L1499-K1502 WeakPolarHBondContact O-CB 3.45Å; L1499-K1502 PolarHBondContact O-N 3.44Å; L1499-F1503 HydrophobicContact CB-CE2 4.4Å; L1499-F1503 WeakPolarHBondContact O-CD2 3.47Å; L1499-F1503 PolarHBondContact O-N 3.46Å |
| 1500 | E | 84.1 | Confident | 84.6 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.6 | -74.8 | 178.7 | -160.1 | 0 | 0 | 112.3 | N1496 K1497 K1502 F1503 A1504 | N1496-E1500 PolarHBondContact O-N 3.36Å; K1497-E1500 HydrophobicContact CD-CB 4.43Å; K1497-E1500 VanDerWaalsContact CD-OE2 3.28Å; K1497-E1500 WeakPolarHBondContact CD-OE2 3.31Å; K1497-E1500 WeakPolarHBondContact CE-OE2 2.99Å; K1497-E1500 IonicContact NZ-OE2 2.9Å; K1497-E1500 PolarHBondContact NZ-OE2 2.81Å; K1497-E1500 PolarHBondContact O-N 3Å; E1500-K1502 VanDerWaalsContact C-N 3.34Å; E1500-K1502 PolarHBondContact O-N 3.09Å; E1500-F1503 PolarHBondContact O-N 3.42Å; E1500-A1504 WeakPolarHBondContact O-CB 2.87Å; E1500-A1504 PolarHBondContact O-N 3.27Å |
| 1501 | I | 85.4 | Confident | 84.7 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 173.5 | -69.3 | 165.7 | 0 | 0 | 0 | 109.8 | L1381 D1385 K1497 F1503 A1504 T1505 | L1381-I1501 HydrophobicContact CB-CG1 3.83Å; D1385-I1501 HydrophobicContact CB-CD1 3.49Å; D1385-I1501 VanDerWaalsContact CB-CD1 3.49Å; K1497-I1501 WeakPolarHBondContact O-CG1 3.37Å; K1497-I1501 PolarHBondContact O-N 3Å; I1501-F1503 VanDerWaalsContact C-N 3.3Å; I1501-F1503 PolarHBondContact O-N 2.96Å; I1501-A1504 PolarHBondContact O-N 2.9Å; I1501-A1504 VanDerWaalsContact O-N 3.16Å; I1501-T1505 HydrophobicContact CG2-CG2 4.11Å; I1501-T1505 WeakPolarHBondContact O-CG2 3.3Å; I1501-T1505 PolarHBondContact O-N 3.18Å; I1501-T1505 PolarHBondContact O-OG1 3.06Å |
| 1502 | K | 83.8 | Confident | 84.6 | Confident | 109 Ų | 109 | 61 Ų | 61 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 177.1 | -79.2 | 177.2 | -179.2 | -176.7 | 0 | 112.1 | E1498 L1499 E1500 T1505 Q1506 | E1498-K1502 WeakPolarHBondContact O-CB 3.14Å; E1498-K1502 VanDerWaalsContact O-CG 3.28Å; E1498-K1502 WeakPolarHBondContact O-CG 3.22Å; E1498-K1502 PolarHBondContact O-N 3.45Å; L1499-K1502 WeakPolarHBondContact O-CB 3.45Å; L1499-K1502 PolarHBondContact O-N 3.44Å; E1500-K1502 VanDerWaalsContact C-N 3.34Å; E1500-K1502 PolarHBondContact O-N 3.09Å; K1502-T1505 VanDerWaalsContact CA-OG1 3.3Å; K1502-T1505 WeakPolarHBondContact CA-OG1 3.23Å; K1502-T1505 PolarHBondContact O-OG1 2.8Å; K1502-Q1506 VanDerWaalsContact O-CB 3.3Å; K1502-Q1506 WeakPolarHBondContact O-CB 3.5Å; K1502-Q1506 PolarHBondContact O-N 3.34Å |
| 1503 | F | 82.5 | Confident | 84.5 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 176.6 | -72.1 | -55.5 | 0 | 0 | 0 | 112.4 | L1499 E1500 I1501 Q1506 K1507 | L1499-F1503 HydrophobicContact CB-CE2 4.4Å; L1499-F1503 WeakPolarHBondContact O-CD2 3.47Å; L1499-F1503 PolarHBondContact O-N 3.46Å; E1500-F1503 PolarHBondContact O-N 3.42Å; I1501-F1503 VanDerWaalsContact C-N 3.3Å; I1501-F1503 PolarHBondContact O-N 2.96Å; F1503-Q1506 PolarHBondContact O-N 3.3Å; F1503-K1507 WeakPolarHBondContact O-CG 3.22Å; F1503-K1507 PolarHBondContact O-N 3.43Å |
| 1504 | A | 84.6 | Confident | 84.6 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1378 L1381 E1500 I1501 Q1506 K1507 L1508 | T1378-A1504 VanDerWaalsContact CG2-C 3.48Å; T1378-A1504 HydrophobicContact CG2-CB 3.54Å; L1381-A1504 HydrophobicContact CD1-CB 3.76Å; E1500-A1504 WeakPolarHBondContact O-CB 2.87Å; E1500-A1504 PolarHBondContact O-N 3.27Å; I1501-A1504 PolarHBondContact O-N 2.9Å; I1501-A1504 VanDerWaalsContact O-N 3.16Å; A1504-Q1506 VanDerWaalsContact C-N 3.28Å; A1504-Q1506 PolarHBondContact O-N 2.89Å; A1504-K1507 WeakPolarHBondContact O-CB 3.38Å; A1504-K1507 PolarHBondContact O-N 3.19Å; A1504-K1507 VanDerWaalsContact O-N 3.14Å; A1504-L1508 PolarHBondContact O-N 3.11Å |
| 1505 | T | 86.2 | Confident | 84.6 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 172.8 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | I1501 K1502 L1508 D1509 | I1501-T1505 HydrophobicContact CG2-CG2 4.11Å; I1501-T1505 WeakPolarHBondContact O-CG2 3.3Å; I1501-T1505 PolarHBondContact O-N 3.18Å; I1501-T1505 PolarHBondContact O-OG1 3.06Å; K1502-T1505 VanDerWaalsContact CA-OG1 3.3Å; K1502-T1505 WeakPolarHBondContact CA-OG1 3.23Å; K1502-T1505 PolarHBondContact O-OG1 2.8Å; T1505-L1508 WeakPolarHBondContact O-CB 3.28Å; T1505-L1508 PolarHBondContact O-N 3.42Å; T1505-D1509 WeakPolarHBondContact O-CB 3.16Å; T1505-D1509 PolarHBondContact O-N 3.22Å |
| 1506 | Q | 84 | Confident | 84.6 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.1 | -174.6 | -178.8 | 1.7 | 0 | 0 | 111.8 | K1502 F1503 A1504 D1509 D1510 | K1502-Q1506 VanDerWaalsContact O-CB 3.3Å; K1502-Q1506 WeakPolarHBondContact O-CB 3.5Å; K1502-Q1506 PolarHBondContact O-N 3.34Å; F1503-Q1506 PolarHBondContact O-N 3.3Å; A1504-Q1506 VanDerWaalsContact C-N 3.28Å; A1504-Q1506 PolarHBondContact O-N 2.89Å; Q1506-D1509 PolarHBondContact O-N 3.06Å; Q1506-D1510 WeakPolarHBondContact O-CB 3.5Å; Q1506-D1510 PolarHBondContact O-N 2.64Å |
| 1507 | K | 82.6 | Confident | 84.8 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 172.9 | -71.6 | 176.9 | -179.6 | 179.4 | 0 | 111.8 | I1374 F1503 A1504 D1510 I1511 | I1374-K1507 HydrophobicContact CG2-CB 4.3Å; F1503-K1507 WeakPolarHBondContact O-CG 3.22Å; F1503-K1507 PolarHBondContact O-N 3.43Å; A1504-K1507 WeakPolarHBondContact O-CB 3.38Å; A1504-K1507 PolarHBondContact O-N 3.19Å; A1504-K1507 VanDerWaalsContact O-N 3.14Å; K1507-D1510 PolarHBondContact O-N 3.47Å; K1507-I1511 PolarHBondContact O-N 3.1Å; K1507-I1511 VanDerWaalsContact O-N 3.08Å |
| 1508 | L | 84.2 | Confident | 84.8 | Confident | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 176.3 | -171 | 72.9 | 0 | 0 | 0 | 111.3 | L1371 I1374 Q1375 T1378 A1504 T1505 D1510 I1511 T1512 | L1371-L1508 HydrophobicContact CD1-CD1 3.49Å; L1371-L1508 VanDerWaalsContact CD1-CD1 3.49Å; L1371-L1508 HydrophobicContact CD1-CG 4.35Å; L1371-L1508 HydrophobicContact CG-CD1 4.47Å; I1374-L1508 HydrophobicContact CB-CD1 4.48Å; I1374-L1508 HydrophobicContact CG2-CB 4.09Å; I1374-L1508 HydrophobicContact CG2-CD1 4.02Å; Q1375-L1508 HydrophobicContact CB-CD1 3.83Å; Q1375-L1508 HydrophobicContact CG-CD1 4.35Å; T1378-L1508 HydrophobicContact CG2-CB 4.35Å; A1504-L1508 PolarHBondContact O-N 3.11Å; T1505-L1508 WeakPolarHBondContact O-CB 3.28Å; T1505-L1508 PolarHBondContact O-N 3.42Å; L1508-D1510 VanDerWaalsContact C-N 3.35Å; L1508-D1510 PolarHBondContact O-N 3.05Å; L1508-I1511 PolarHBondContact O-N 3.45Å; L1508-T1512 WeakPolarHBondContact O-CB 3.42Å; L1508-T1512 WeakPolarHBondContact O-CG2 3.4Å; L1508-T1512 PolarHBondContact O-N 3.08Å; L1508-T1512 PolarHBondContact O-OG1 3.29Å |
| 1509 | D | 83.1 | Confident | 84.9 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.8 | -75.4 | -18.2 | 0 | 0 | 0 | 111.4 | T1505 Q1506 I1511 T1512 N1513 | T1505-D1509 WeakPolarHBondContact O-CB 3.16Å; T1505-D1509 PolarHBondContact O-N 3.22Å; Q1506-D1509 PolarHBondContact O-N 3.06Å; D1509-I1511 PolarHBondContact O-N 3.37Å; D1509-T1512 VanDerWaalsContact CA-OG1 3.31Å; D1509-T1512 WeakPolarHBondContact CA-OG1 3.43Å; D1509-T1512 PolarHBondContact O-OG1 2.85Å; D1509-T1512 VanDerWaalsContact O-OG1 3.04Å; D1509-N1513 WeakPolarHBondContact O-CB 3.42Å; D1509-N1513 PolarHBondContact O-N 3.26Å; D1509-N1513 PolarHBondContact O-ND2 2.89Å |
| 1510 | D | 83.9 | Confident | 85 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.5 | -90.2 | 9 | 0 | 0 | 0 | 112 | K1446 Q1506 K1507 L1508 F1514 | K1446-D1510 IonicContact NZ-OD2 3.24Å; K1446-D1510 PolarHBondContact NZ-OD2 3.4Å; Q1506-D1510 WeakPolarHBondContact O-CB 3.5Å; Q1506-D1510 PolarHBondContact O-N 2.64Å; K1507-D1510 PolarHBondContact O-N 3.47Å; L1508-D1510 VanDerWaalsContact C-N 3.35Å; L1508-D1510 PolarHBondContact O-N 3.05Å; D1510-F1514 PolarHBondContact O-N 3.45Å |
| 1511 | I | 86.1 | Confident | 85.2 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -80.9 | -39.3 | -177.3 | -69.9 | 163.6 | 0 | 0 | 0 | 112.3 | I1370 L1371 I1374 Y1443 K1507 L1508 D1509 N1513 F1514 I1515 | I1370-I1511 HydrophobicContact CG2-CD1 4.03Å; L1371-I1511 HydrophobicContact CB-CG2 3.88Å; L1371-I1511 HydrophobicContact CD1-CB 4.35Å; L1371-I1511 HydrophobicContact CD1-CG2 3.93Å; I1374-I1511 HydrophobicContact CD1-CD1 3.08Å; Y1443-I1511 HydrophobicContact CE1-CD1 4.38Å; Y1443-I1511 WeakPolarHBondContact OH-CD1 3.27Å; K1507-I1511 PolarHBondContact O-N 3.1Å; K1507-I1511 VanDerWaalsContact O-N 3.08Å; L1508-I1511 PolarHBondContact O-N 3.45Å; D1509-I1511 PolarHBondContact O-N 3.37Å; I1511-N1513 VanDerWaalsContact C-N 3.28Å; I1511-N1513 PolarHBondContact O-N 2.92Å; I1511-F1514 WeakPolarHBondContact O-CA 3.28Å; I1511-F1514 WeakPolarHBondContact O-CB 3.46Å; I1511-F1514 PolarHBondContact O-N 2.91Å; I1511-F1514 VanDerWaalsContact O-N 3.1Å; I1511-I1515 HydrophobicContact CG2-CD1 4.06Å; I1511-I1515 PolarHBondContact O-N 3.24Å |
| 1512 | T | 85.5 | Confident | 85.4 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 171.2 | 48 | 0 | 0 | 0 | 0 | 111.1 | L1371 L1508 D1509 F1514 I1515 R1516 | L1371-T1512 HydrophobicContact CD1-CG2 3.38Å; L1371-T1512 HydrophobicContact CD2-CG2 3.98Å; L1371-T1512 HydrophobicContact CG-CG2 4.33Å; L1508-T1512 WeakPolarHBondContact O-CB 3.42Å; L1508-T1512 WeakPolarHBondContact O-CG2 3.4Å; L1508-T1512 PolarHBondContact O-N 3.08Å; L1508-T1512 PolarHBondContact O-OG1 3.29Å; D1509-T1512 VanDerWaalsContact CA-OG1 3.31Å; D1509-T1512 WeakPolarHBondContact CA-OG1 3.43Å; D1509-T1512 PolarHBondContact O-OG1 2.85Å; D1509-T1512 VanDerWaalsContact O-OG1 3.04Å; T1512-F1514 VanDerWaalsContact C-N 3.34Å; T1512-I1515 PolarHBondContact O-N 3.49Å; T1512-R1516 WeakPolarHBondContact O-CB 3.34Å; T1512-R1516 WeakPolarHBondContact O-CG 3.34Å; T1512-R1516 PolarHBondContact O-N 3.36Å |
| 1513 | N | 84.2 | Confident | 85.5 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 173.7 | -72.6 | -35.1 | 0 | 0 | 0 | 112.2 | D1509 I1511 K1517 | D1509-N1513 WeakPolarHBondContact O-CB 3.42Å; D1509-N1513 PolarHBondContact O-N 3.26Å; D1509-N1513 PolarHBondContact O-ND2 2.89Å; I1511-N1513 VanDerWaalsContact C-N 3.28Å; I1511-N1513 PolarHBondContact O-N 2.92Å; N1513-K1517 WeakPolarHBondContact O-CB 3.48Å; N1513-K1517 PolarHBondContact O-N 3.49Å |
| 1514 | F | 85.7 | Confident | 85.7 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 37% | 0.368 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 173.5 | 178.6 | -94.3 | 0 | 0 | 0 | 112.1 | A1367 D1510 I1511 T1512 K1517 R1518 | A1367-F1514 HydrophobicContact CB-CD1 3.97Å; A1367-F1514 HydrophobicContact CB-CE1 3.86Å; D1510-F1514 PolarHBondContact O-N 3.45Å; I1511-F1514 WeakPolarHBondContact O-CA 3.28Å; I1511-F1514 WeakPolarHBondContact O-CB 3.46Å; I1511-F1514 PolarHBondContact O-N 2.91Å; I1511-F1514 VanDerWaalsContact O-N 3.1Å; T1512-F1514 VanDerWaalsContact C-N 3.34Å; F1514-K1517 PolarHBondContact O-N 2.99Å; F1514-R1518 HydrophobicContact CD1-CG 4.12Å; F1514-R1518 HydrophobicContact CE1-CG 3.71Å; F1514-R1518 HydrophobicContact CE2-CG 4.23Å; F1514-R1518 HydrophobicContact CZ-CG 3.78Å; F1514-R1518 WeakPolarHBondContact O-CG 3.49Å; F1514-R1518 PolarHBondContact O-N 3.46Å |
| 1515 | I | 87 | Confident | 86 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -49 | 178.4 | -69.5 | 161.9 | 0 | 0 | 0 | 110.6 | A1367 K1368 L1371 I1511 T1512 K1517 R1518 D1519 | A1367-I1515 HydrophobicContact CB-CD1 4.3Å; A1367-I1515 HydrophobicContact CB-CG1 3.82Å; K1368-I1515 HydrophobicContact CG-CD1 4.07Å; K1368-I1515 HydrophobicContact CG-CG2 4.35Å; L1371-I1515 HydrophobicContact CB-CD1 3.7Å; L1371-I1515 HydrophobicContact CD2-CD1 3.67Å; L1371-I1515 HydrophobicContact CG-CD1 4.18Å; I1511-I1515 HydrophobicContact CG2-CD1 4.06Å; I1511-I1515 PolarHBondContact O-N 3.24Å; T1512-I1515 PolarHBondContact O-N 3.49Å; I1515-K1517 PolarHBondContact O-N 3.21Å; I1515-R1518 CarbonylContact O-C 3.58Å; I1515-R1518 PolarHBondContact O-N 3.44Å; I1515-D1519 WeakPolarHBondContact CG2-OD2 3.41Å; I1515-D1519 PolarHBondContact O-N 3.01Å |
| 1516 | R | 85.9 | Confident | 86.1 | Confident | 177 Ų | 177 | 70.2 Ų | 70.2 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54.9 | -41.3 | 176.2 | -74.9 | 177.1 | -177.7 | 163.3 | 1.3 | 112 | T1512 G1520 | T1512-R1516 WeakPolarHBondContact O-CB 3.34Å; T1512-R1516 WeakPolarHBondContact O-CG 3.34Å; T1512-R1516 PolarHBondContact O-N 3.36Å; R1516-G1520 PolarHBondContact O-N 3.47Å |
| 1517 | K | 87 | Confident | 86.3 | Confident | 131 Ų | 131 | 71 Ų | 71 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 175.9 | -173.4 | 177.7 | 178.8 | 179.7 | 0 | 111.8 | N1513 F1514 I1515 G1520 D1521 | N1513-K1517 WeakPolarHBondContact O-CB 3.48Å; N1513-K1517 PolarHBondContact O-N 3.49Å; F1514-K1517 PolarHBondContact O-N 2.99Å; I1515-K1517 PolarHBondContact O-N 3.21Å; K1517-G1520 PolarHBondContact O-N 3.48Å; K1517-D1521 PolarHBondContact O-N 3.46Å |
| 1518 | R | 86.7 | Confident | 86.7 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 178.4 | -70.7 | -65.8 | 97.2 | 104.3 | -8.5 | 113.1 | L1364 F1514 I1515 G1520 D1521 L1522 | L1364-R1518 HydrophobicContact CD1-CB 3.74Å; F1514-R1518 HydrophobicContact CD1-CG 4.12Å; F1514-R1518 HydrophobicContact CE1-CG 3.71Å; F1514-R1518 HydrophobicContact CE2-CG 4.23Å; F1514-R1518 HydrophobicContact CZ-CG 3.78Å; F1514-R1518 WeakPolarHBondContact O-CG 3.49Å; F1514-R1518 PolarHBondContact O-N 3.46Å; I1515-R1518 CarbonylContact O-C 3.58Å; I1515-R1518 PolarHBondContact O-N 3.44Å; R1518-G1520 VanDerWaalsContact C-N 3.33Å; R1518-D1521 IonicContact CZ-OD2 2.73Å; R1518-D1521 VanDerWaalsContact CZ-OD2 3.25Å; R1518-D1521 IonicContact NE-OD2 3.4Å; R1518-D1521 PolarHBondContact NE-OD2 3.09Å; R1518-D1521 IonicContact NH2-OD2 3.77Å; R1518-D1521 PolarHBondContact NH2-OD2 2.85Å; R1518-D1521 PolarHBondContact O-N 2.81Å; R1518-L1522 WeakPolarHBondContact O-CB 3.46Å; R1518-L1522 PolarHBondContact O-N 2.92Å |
| 1519 | D | 87.2 | Confident | 86.9 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173 | -86.3 | -42.7 | 0 | 0 | 0 | 110.5 | L1364 I1515 L1522 Q1523 | L1364-D1519 HydrophobicContact CD1-CB 4.14Å; L1364-D1519 VanDerWaalsContact CD1-CG 3.48Å; L1364-D1519 WeakPolarHBondContact CD1-OD1 3.48Å; I1515-D1519 WeakPolarHBondContact CG2-OD2 3.41Å; I1515-D1519 PolarHBondContact O-N 3.01Å; D1519-L1522 PolarHBondContact O-N 3.41Å; D1519-Q1523 WeakPolarHBondContact O-CG 3.5Å; D1519-Q1523 PolarHBondContact O-N 2.94Å |
| 1520 | G | 85.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1516 K1517 R1518 L1522 Q1523 S1524 | R1516-G1520 PolarHBondContact O-N 3.47Å; K1517-G1520 PolarHBondContact O-N 3.48Å; R1518-G1520 VanDerWaalsContact C-N 3.33Å; G1520-L1522 VanDerWaalsContact C-N 3.3Å; G1520-L1522 PolarHBondContact O-N 3.31Å; G1520-Q1523 PolarHBondContact O-N 3.08Å; G1520-S1524 PolarHBondContact O-N 3.48Å |
| 1521 | D | 87.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 174 | -65.9 | -23.2 | 0 | 0 | 0 | 110.4 | K1517 R1518 S1524 L1525 | K1517-D1521 PolarHBondContact O-N 3.46Å; R1518-D1521 IonicContact CZ-OD2 2.73Å; R1518-D1521 VanDerWaalsContact CZ-OD2 3.25Å; R1518-D1521 IonicContact NE-OD2 3.4Å; R1518-D1521 PolarHBondContact NE-OD2 3.09Å; R1518-D1521 IonicContact NH2-OD2 3.77Å; R1518-D1521 PolarHBondContact NH2-OD2 2.85Å; R1518-D1521 PolarHBondContact O-N 2.81Å; D1521-S1524 PolarHBondContact O-N 2.88Å; D1521-S1524 PolarHBondContact O-OG 3.42Å; D1521-L1525 WeakPolarHBondContact O-CB 3.38Å; D1521-L1525 PolarHBondContact O-N 3.23Å |
| 1522 | L | 89.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 179.3 | -161.7 | 172.9 | 0 | 0 | 0 | 112 | I1360 T1361 L1364 R1518 D1519 G1520 S1524 L1525 H1526 | I1360-L1522 HydrophobicContact CG2-CB 4.03Å; I1360-L1522 HydrophobicContact CG2-CD1 4.3Å; I1360-L1522 HydrophobicContact CG2-CG 4.25Å; T1361-L1522 HydrophobicContact CG2-CD1 3.66Å; T1361-L1522 HydrophobicContact CG2-CG 4.35Å; L1364-L1522 HydrophobicContact CD1-CD1 4.36Å; R1518-L1522 WeakPolarHBondContact O-CB 3.46Å; R1518-L1522 PolarHBondContact O-N 2.92Å; D1519-L1522 PolarHBondContact O-N 3.41Å; G1520-L1522 VanDerWaalsContact C-N 3.3Å; G1520-L1522 PolarHBondContact O-N 3.31Å; L1522-S1524 VanDerWaalsContact C-N 3.31Å; L1522-S1524 PolarHBondContact O-N 3.14Å; L1522-L1525 WeakPolarHBondContact O-CB 3.49Å; L1522-L1525 PolarHBondContact O-N 3.34Å; L1522-L1525 VanDerWaalsContact O-N 3.14Å; L1522-H1526 WeakPolarHBondContact CD2-CD2 3.25Å; L1522-H1526 VanDerWaalsContact CD2-NE2 3.33Å; L1522-H1526 WeakPolarHBondContact CD2-NE2 3.28Å; L1522-H1526 PolarHBondContact O-N 3.47Å |
| 1523 | Q | 86.9 | Confident | 88 | Confident | 140 Ų | 140 | 75.1 Ų | 75.1 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 175.1 | -72.1 | 175.7 | 8.1 | 0 | 0 | 112 | D1519 G1520 L1525 H1526 K1527 | D1519-Q1523 WeakPolarHBondContact O-CG 3.5Å; D1519-Q1523 PolarHBondContact O-N 2.94Å; G1520-Q1523 PolarHBondContact O-N 3.08Å; Q1523-L1525 VanDerWaalsContact C-N 3.31Å; Q1523-L1525 PolarHBondContact O-N 3.05Å; Q1523-H1526 PolarHBondContact O-N 3.05Å; Q1523-K1527 PolarHBondContact O-N 3.46Å; Q1523-K1527 VanDerWaalsContact O-N 3.07Å |
| 1524 | S | 87.4 | Confident | 88.2 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 176 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | G1520 D1521 L1522 L1528 | G1520-S1524 PolarHBondContact O-N 3.48Å; D1521-S1524 PolarHBondContact O-N 2.88Å; D1521-S1524 PolarHBondContact O-OG 3.42Å; L1522-S1524 VanDerWaalsContact C-N 3.31Å; L1522-S1524 PolarHBondContact O-N 3.14Å; S1524-L1528 WeakPolarHBondContact O-CG 3.36Å; S1524-L1528 PolarHBondContact O-N 3.32Å; S1524-L1528 VanDerWaalsContact O-N 3.11Å |
| 1525 | L | 89.3 | Confident | 88.4 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68 | -42.7 | 176.7 | -165.5 | 84.6 | 0 | 0 | 0 | 112.1 | L1353 K1356 E1357 I1360 D1521 L1522 Q1523 L1528 L1529 | L1353-L1525 HydrophobicContact CD2-CD1 3.71Å; K1356-L1525 HydrophobicContact CB-CD1 4.36Å; K1356-L1525 HydrophobicContact CB-CD2 4.06Å; E1357-L1525 HydrophobicContact CB-CD2 3.6Å; E1357-L1525 HydrophobicContact CG-CD2 4.25Å; E1357-L1525 VanDerWaalsContact N-CD2 3.3Å; I1360-L1525 HydrophobicContact CD1-CD2 4.38Å; D1521-L1525 WeakPolarHBondContact O-CB 3.38Å; D1521-L1525 PolarHBondContact O-N 3.23Å; L1522-L1525 WeakPolarHBondContact O-CB 3.49Å; L1522-L1525 PolarHBondContact O-N 3.34Å; L1522-L1525 VanDerWaalsContact O-N 3.14Å; Q1523-L1525 VanDerWaalsContact C-N 3.31Å; Q1523-L1525 PolarHBondContact O-N 3.05Å; L1525-L1528 WeakPolarHBondContact O-CB 3.5Å; L1525-L1528 PolarHBondContact O-N 3.41Å; L1525-L1529 WeakPolarHBondContact O-CB 3.44Å; L1525-L1529 PolarHBondContact O-N 3.06Å |
| 1526 | H | 89.2 | Confident | 88.7 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 35% | 0.347 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.2 | -89.4 | -53.6 | 0 | 0 | 0 | 112.3 | E1357 L1522 Q1523 L1528 L1529 E1530 | E1357-H1526 IonicContact OE1-CE1 2.71Å; E1357-H1526 PolarHBondContact OE1-CE1 3.19Å; E1357-H1526 IonicContact OE1-ND1 2.86Å; E1357-H1526 IonicContact OE1-NE2 2.69Å; E1357-H1526 IonicContact OE2-CE1 3.34Å; E1357-H1526 IonicContact OE2-ND1 3.32Å; L1522-H1526 WeakPolarHBondContact CD2-CD2 3.25Å; L1522-H1526 VanDerWaalsContact CD2-NE2 3.33Å; L1522-H1526 WeakPolarHBondContact CD2-NE2 3.28Å; L1522-H1526 PolarHBondContact O-N 3.47Å; Q1523-H1526 PolarHBondContact O-N 3.05Å; H1526-L1528 VanDerWaalsContact C-N 3.31Å; H1526-L1528 PolarHBondContact O-N 3.13Å; H1526-L1529 WeakPolarHBondContact O-CB 3.46Å; H1526-L1529 PolarHBondContact O-N 3.42Å; H1526-E1530 PolarHBondContact O-N 3.17Å |
| 1527 | K | 88 | Confident | 88.9 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.5 | -171 | -179.8 | 178.8 | -178.6 | 0 | 111.3 | Q1523 L1529 E1530 E1531 | Q1523-K1527 PolarHBondContact O-N 3.46Å; Q1523-K1527 VanDerWaalsContact O-N 3.07Å; K1527-L1529 VanDerWaalsContact C-N 3.3Å; K1527-L1529 PolarHBondContact O-N 2.93Å; K1527-E1530 PolarHBondContact O-N 2.81Å; K1527-E1531 WeakPolarHBondContact CE-OE1 3.44Å; K1527-E1531 WeakPolarHBondContact O-CB 3.48Å; K1527-E1531 VanDerWaalsContact O-CG 3.26Å; K1527-E1531 WeakPolarHBondContact O-CG 3.12Å; K1527-E1531 PolarHBondContact O-N 2.98Å |
| 1528 | L | 90 | Very high | 89 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 41% | 0.408 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 174.1 | -73 | 169.2 | 0 | 0 | 0 | 112.2 | S1524 L1525 H1526 E1531 R1532 | S1524-L1528 WeakPolarHBondContact O-CG 3.36Å; S1524-L1528 PolarHBondContact O-N 3.32Å; S1524-L1528 VanDerWaalsContact O-N 3.11Å; L1525-L1528 WeakPolarHBondContact O-CB 3.5Å; L1525-L1528 PolarHBondContact O-N 3.41Å; H1526-L1528 VanDerWaalsContact C-N 3.31Å; H1526-L1528 PolarHBondContact O-N 3.13Å; L1528-E1531 PolarHBondContact O-N 3.18Å; L1528-R1532 WeakPolarHBondContact O-CG 3.39Å; L1528-R1532 PolarHBondContact O-N 3.47Å |
| 1529 | L | 90 | Very high | 89.2 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 179.4 | -164.8 | 151.3 | 0 | 0 | 0 | 111.9 | L1353 Y1354 E1357 L1525 H1526 K1527 R1532 K1533 | L1353-L1529 HydrophobicContact CB-CD1 4.19Å; Y1354-L1529 HydrophobicContact CD2-CD1 4.38Å; E1357-L1529 WeakPolarHBondContact OE2-CD1 3.33Å; L1525-L1529 WeakPolarHBondContact O-CB 3.44Å; L1525-L1529 PolarHBondContact O-N 3.06Å; H1526-L1529 WeakPolarHBondContact O-CB 3.46Å; H1526-L1529 PolarHBondContact O-N 3.42Å; K1527-L1529 VanDerWaalsContact C-N 3.3Å; K1527-L1529 PolarHBondContact O-N 2.93Å; L1529-R1532 PolarHBondContact O-N 2.94Å; L1529-K1533 HydrophobicContact CD2-CD 3.78Å; L1529-K1533 HydrophobicContact CD2-CG 4.35Å; L1529-K1533 VanDerWaalsContact CD2-NZ 3.35Å; L1529-K1533 WeakPolarHBondContact O-CG 3.33Å; L1529-K1533 PolarHBondContact O-N 3.46Å |
| 1530 | E | 89.3 | Confident | 89.3 | Confident | 137 Ų | 137 | 65.2 Ų | 65.2 | 64% | 0.64 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 172.7 | -72.9 | -176.1 | 161.2 | 0 | 0 | 112.2 | H1526 K1527 K1533 C1534 | H1526-E1530 PolarHBondContact O-N 3.17Å; K1527-E1530 PolarHBondContact O-N 2.81Å; E1530-K1533 PolarHBondContact O-N 3.39Å; E1530-C1534 WeakPolarHBondContact O-CB 3.46Å; E1530-C1534 PolarHBondContact O-N 3.08Å |
| 1531 | E | 88.7 | Confident | 89.4 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.4 | -73.9 | 173.8 | -174.7 | 0 | 0 | 111.8 | K100 K1527 L1528 K1533 C1534 Q1535 | K100-E1531 WeakPolarHBondContact CD-OE2 3.31Å; K100-E1531 WeakPolarHBondContact CE-OE1 3.22Å; K100-E1531 VanDerWaalsContact NZ-CD 3.28Å; K100-E1531 IonicContact NZ-OE1 3.51Å; K100-E1531 PolarHBondContact NZ-OE1 3.46Å; K100-E1531 IonicContact NZ-OE2 2.72Å; K100-E1531 PolarHBondContact NZ-OE2 3.13Å; K1527-E1531 WeakPolarHBondContact CE-OE1 3.44Å; K1527-E1531 WeakPolarHBondContact O-CB 3.48Å; K1527-E1531 VanDerWaalsContact O-CG 3.26Å; K1527-E1531 WeakPolarHBondContact O-CG 3.12Å; K1527-E1531 PolarHBondContact O-N 2.98Å; L1528-E1531 PolarHBondContact O-N 3.18Å; E1531-K1533 PolarHBondContact O-N 2.93Å; E1531-C1534 WeakPolarHBondContact O-CB 3.46Å; E1531-C1534 PolarHBondContact O-N 2.9Å; E1531-Q1535 WeakPolarHBondContact O-CG 3.32Å; E1531-Q1535 PolarHBondContact O-N 3.15Å |
| 1532 | R | 90.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 30% | 0.302 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.2 | -67.5 | -57 | -176.7 | -177.7 | 3.4 | 112.7 | I1350 L1353 L1528 L1529 Q1535 L1536 | I1350-R1532 HydrophobicContact CD1-CB 4.22Å; I1350-R1532 HydrophobicContact CG1-CB 3.7Å; L1353-R1532 HydrophobicContact CD1-CG 4.13Å; L1528-R1532 WeakPolarHBondContact O-CG 3.39Å; L1528-R1532 PolarHBondContact O-N 3.47Å; L1529-R1532 PolarHBondContact O-N 2.94Å; R1532-Q1535 PolarHBondContact O-N 2.73Å; R1532-L1536 PolarHBondContact O-N 3.29Å |
| 1533 | K | 91.2 | Very high | 89.4 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 172.9 | -78.1 | 177.4 | 174.7 | 169.9 | 0 | 112.3 | I1350 L1529 E1530 E1531 L1536 N1537 | I1350-K1533 HydrophobicContact CD1-CG 4.06Å; L1529-K1533 HydrophobicContact CD2-CD 3.78Å; L1529-K1533 HydrophobicContact CD2-CG 4.35Å; L1529-K1533 VanDerWaalsContact CD2-NZ 3.35Å; L1529-K1533 WeakPolarHBondContact O-CG 3.33Å; L1529-K1533 PolarHBondContact O-N 3.46Å; E1530-K1533 PolarHBondContact O-N 3.39Å; E1531-K1533 PolarHBondContact O-N 2.93Å; K1533-L1536 PolarHBondContact O-N 3.32Å; K1533-N1537 PolarHBondContact O-N 3.22Å; K1533-N1537 PolarHBondContact O-ND2 3.45Å |
| 1534 | C | 89.2 | Confident | 89.4 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 175.8 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | E1530 E1531 L1536 N1537 N1538 | E1530-C1534 WeakPolarHBondContact O-CB 3.46Å; E1530-C1534 PolarHBondContact O-N 3.08Å; E1531-C1534 WeakPolarHBondContact O-CB 3.46Å; E1531-C1534 PolarHBondContact O-N 2.9Å; C1534-L1536 VanDerWaalsContact C-N 3.34Å; C1534-L1536 PolarHBondContact O-N 2.92Å; C1534-N1537 PolarHBondContact O-N 3.1Å; C1534-N1538 PolarHBondContact O-N 3.13Å |
| 1535 | Q | 89.6 | Confident | 89.2 | Confident | 60 Ų | 60 | 74 Ų | 74 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 173.8 | -72.8 | 176.1 | -4.9 | 0 | 0 | 112.2 | L1346 E1531 R1532 N1537 N1538 L1539 | L1346-Q1535 HydrophobicContact CD1-CB 4.34Å; L1346-Q1535 HydrophobicContact CD2-CB 4.46Å; E1531-Q1535 WeakPolarHBondContact O-CG 3.32Å; E1531-Q1535 PolarHBondContact O-N 3.15Å; R1532-Q1535 PolarHBondContact O-N 2.73Å; Q1535-N1537 PolarHBondContact O-N 3.46Å; Q1535-N1538 PolarHBondContact O-N 3.24Å; Q1535-L1539 WeakPolarHBondContact O-CB 3.24Å; Q1535-L1539 PolarHBondContact O-N 3.49Å |
| 1536 | L | 92.8 | Very high | 88.9 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.3 | -179.7 | 64.4 | 0 | 0 | 0 | 111.7 | E1343 L1346 K1347 I1350 R1532 K1533 C1534 L1539 I1540 | E1343-L1536 HydrophobicContact CB-CD1 4.46Å; E1343-L1536 HydrophobicContact CG-CD1 3.58Å; L1346-L1536 HydrophobicContact CB-CD1 4.19Å; L1346-L1536 HydrophobicContact CD1-CB 4.44Å; K1347-L1536 HydrophobicContact CG-CD1 4.25Å; K1347-L1536 HydrophobicContact CG-CD2 3.94Å; I1350-L1536 HydrophobicContact CD1-CB 4.36Å; I1350-L1536 HydrophobicContact CD1-CD2 3.92Å; R1532-L1536 PolarHBondContact O-N 3.29Å; K1533-L1536 PolarHBondContact O-N 3.32Å; C1534-L1536 VanDerWaalsContact C-N 3.34Å; C1534-L1536 PolarHBondContact O-N 2.92Å; L1536-L1539 PolarHBondContact O-N 2.88Å; L1536-I1540 HydrophobicContact CD1-CD1 4.28Å; L1536-I1540 HydrophobicContact CG-CD1 4.07Å; L1536-I1540 VanDerWaalsContact O-CG1 3.27Å; L1536-I1540 WeakPolarHBondContact O-CG1 3.37Å; L1536-I1540 PolarHBondContact O-N 3.48Å |
| 1537 | N | 89.9 | Confident | 88.6 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 178.8 | -73.3 | -19.8 | 0 | 0 | 0 | 112.8 | K1533 C1534 Q1535 I1540 K1541 | K1533-N1537 PolarHBondContact O-N 3.22Å; K1533-N1537 PolarHBondContact O-ND2 3.45Å; C1534-N1537 PolarHBondContact O-N 3.1Å; Q1535-N1537 PolarHBondContact O-N 3.46Å; N1537-I1540 PolarHBondContact O-N 3.39Å; N1537-K1541 WeakPolarHBondContact O-CG 3.31Å; N1537-K1541 PolarHBondContact O-N 2.9Å; N1537-K1541 VanDerWaalsContact O-N 3.11Å |
| 1538 | N | 90.6 | Very high | 88.2 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 175.5 | -70.7 | -10.3 | 0 | 0 | 0 | 110.9 | C1534 Q1535 I1540 K1541 D1542 | C1534-N1538 PolarHBondContact O-N 3.13Å; Q1535-N1538 PolarHBondContact O-N 3.24Å; N1538-I1540 VanDerWaalsContact C-N 3.27Å; N1538-I1540 PolarHBondContact O-N 3.23Å; N1538-K1541 WeakPolarHBondContact O-CA 3.45Å; N1538-K1541 WeakPolarHBondContact O-CB 3.45Å; N1538-K1541 PolarHBondContact O-N 3.07Å; N1538-D1542 VanDerWaalsContact O-CG 3.31Å; N1538-D1542 PolarHBondContact O-N 2.83Å |
| 1539 | L | 90.9 | Very high | 87.9 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 12% | 0.12 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 175.5 | -172.2 | 116.2 | 0 | 0 | 0 | 112.2 | F1339 K1342 E1343 Q1535 L1536 D1542 Y1543 | F1339-L1539 HydrophobicContact CD1-CD1 4.16Å; F1339-L1539 HydrophobicContact CD1-CG 4.11Å; K1342-L1539 HydrophobicContact CB-CD1 3.67Å; K1342-L1539 HydrophobicContact CB-CD2 4.32Å; K1342-L1539 HydrophobicContact CD-CD1 3.98Å; K1342-L1539 HydrophobicContact CG-CD1 4.46Å; E1343-L1539 HydrophobicContact CB-CD2 3.72Å; E1343-L1539 HydrophobicContact CG-CD2 4.27Å; Q1535-L1539 WeakPolarHBondContact O-CB 3.24Å; Q1535-L1539 PolarHBondContact O-N 3.49Å; L1536-L1539 PolarHBondContact O-N 2.88Å; L1539-D1542 PolarHBondContact O-N 3.39Å; L1539-Y1543 VanDerWaalsContact O-CB 3.28Å; L1539-Y1543 WeakPolarHBondContact O-CB 3.15Å; L1539-Y1543 PolarHBondContact O-N 3.23Å |
| 1540 | I | 89.3 | Confident | 87.3 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -38 | 175 | -68.3 | 164.7 | 0 | 0 | 0 | 111.6 | L1536 N1537 N1538 N1544 | L1536-I1540 HydrophobicContact CD1-CD1 4.28Å; L1536-I1540 HydrophobicContact CG-CD1 4.07Å; L1536-I1540 VanDerWaalsContact O-CG1 3.27Å; L1536-I1540 WeakPolarHBondContact O-CG1 3.37Å; L1536-I1540 PolarHBondContact O-N 3.48Å; N1537-I1540 PolarHBondContact O-N 3.39Å; N1538-I1540 VanDerWaalsContact C-N 3.27Å; N1538-I1540 PolarHBondContact O-N 3.23Å; I1540-N1544 WeakPolarHBondContact O-CB 3.26Å; I1540-N1544 PolarHBondContact O-N 3.45Å; I1540-N1544 PolarHBondContact O-ND2 3.38Å; I1540-N1544 VanDerWaalsContact O-ND2 3.1Å |
| 1541 | K | 86.9 | Confident | 86.9 | Confident | 138 Ų | 138 | 74 Ų | 74 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 174.4 | -71 | 173.5 | -178.1 | 177.4 | 0 | 111.5 | N1537 N1538 Y1543 N1544 R1545 | N1537-K1541 WeakPolarHBondContact O-CG 3.31Å; N1537-K1541 PolarHBondContact O-N 2.9Å; N1537-K1541 VanDerWaalsContact O-N 3.11Å; N1538-K1541 WeakPolarHBondContact O-CA 3.45Å; N1538-K1541 WeakPolarHBondContact O-CB 3.45Å; N1538-K1541 PolarHBondContact O-N 3.07Å; K1541-Y1543 VanDerWaalsContact C-N 3.35Å; K1541-N1544 PolarHBondContact O-N 3.21Å; K1541-R1545 WeakPolarHBondContact O-CB 3.39Å; K1541-R1545 PolarHBondContact O-N 3.05Å |
| 1542 | D | 87 | Confident | 86.2 | Confident | 80 Ų | 80 | 75 Ų | 75 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 178 | -64.4 | -21.5 | 0 | 0 | 0 | 111.1 | F1339 N1538 L1539 R1545 N1546 | F1339-D1542 HydrophobicContact CE1-CB 4.28Å; N1538-D1542 VanDerWaalsContact O-CG 3.31Å; N1538-D1542 PolarHBondContact O-N 2.83Å; L1539-D1542 PolarHBondContact O-N 3.39Å; D1542-R1545 PolarHBondContact O-N 3.06Å; D1542-N1546 WeakPolarHBondContact O-CB 3.18Å; D1542-N1546 PolarHBondContact O-N 3.21Å |
| 1543 | Y | 89.7 | Confident | 85.8 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 170.9 | 174.1 | -92.8 | 0 | 0 | 0 | 111.4 | E1336 F1339 L1539 K1541 R1545 N1546 Q1547 | E1336-Y1543 HydrophobicContact CG-CD2 4.4Å; E1336-Y1543 HydrophobicContact CG-CE2 3.46Å; E1336-Y1543 VanDerWaalsContact CG-CE2 3.46Å; E1336-Y1543 PolarHBondContact OE1-OH 2.89Å; F1339-Y1543 HydrophobicContact CB-CD2 3.72Å; F1339-Y1543 HydrophobicContact CD2-CD2 4.39Å; F1339-Y1543 HydrophobicContact CG-CD2 4.21Å; L1539-Y1543 VanDerWaalsContact O-CB 3.28Å; L1539-Y1543 WeakPolarHBondContact O-CB 3.15Å; L1539-Y1543 PolarHBondContact O-N 3.23Å; K1541-Y1543 VanDerWaalsContact C-N 3.35Å; Y1543-R1545 PolarHBondContact O-N 3.38Å; Y1543-N1546 PolarHBondContact O-N 3.1Å; Y1543-Q1547 WeakPolarHBondContact O-CB 3.22Å; Y1543-Q1547 PolarHBondContact O-N 3.34Å |
| 1544 | N | 86.6 | Confident | 85.1 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 179.1 | -69.8 | -31.1 | 0 | 0 | 0 | 112.2 | I1540 K1541 Q1547 T1548 | I1540-N1544 WeakPolarHBondContact O-CB 3.26Å; I1540-N1544 PolarHBondContact O-N 3.45Å; I1540-N1544 PolarHBondContact O-ND2 3.38Å; I1540-N1544 VanDerWaalsContact O-ND2 3.1Å; K1541-N1544 PolarHBondContact O-N 3.21Å; N1544-Q1547 WeakPolarHBondContact O-CB 3.5Å; N1544-Q1547 PolarHBondContact O-N 3.27Å; N1544-T1548 PolarHBondContact O-N 2.93Å; N1544-T1548 VanDerWaalsContact O-N 3.14Å; N1544-T1548 PolarHBondContact O-OG1 3.22Å |
| 1545 | R | 83.2 | Confident | 84.3 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | 176.1 | -179 | -178.3 | 172 | -172.5 | -1.4 | 111 | K1541 D1542 Y1543 Q1547 T1548 D1549 | K1541-R1545 WeakPolarHBondContact O-CB 3.39Å; K1541-R1545 PolarHBondContact O-N 3.05Å; D1542-R1545 PolarHBondContact O-N 3.06Å; Y1543-R1545 PolarHBondContact O-N 3.38Å; R1545-Q1547 PolarHBondContact O-N 3.16Å; R1545-T1548 CarbonylContact O-C 3.58Å; R1545-T1548 PolarHBondContact O-N 3.5Å; R1545-T1548 PolarHBondContact O-OG1 3.2Å; R1545-D1549 WeakPolarHBondContact O-CB 3.5Å; R1545-D1549 PolarHBondContact O-N 3.02Å |
| 1546 | N | 84.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -23.9 | 177.4 | -75.1 | -10.8 | 0 | 0 | 0 | 112.9 | F1339 D1542 Y1543 | F1339-N1546 HydrophobicContact CE2-CB 4.38Å; F1339-N1546 WeakPolarHBondContact CE2-ND2 3.41Å; F1339-N1546 WeakPolarHBondContact CZ-ND2 3.35Å; D1542-N1546 WeakPolarHBondContact O-CB 3.18Å; D1542-N1546 PolarHBondContact O-N 3.21Å; Y1543-N1546 PolarHBondContact O-N 3.1Å |
| 1547 | Q | 82 | Confident | 82 | Confident | 42 Ų | 42 | 77 Ų | 77 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.1 | -36.2 | 172.5 | -161.4 | -177.2 | -15.8 | 0 | 0 | 111.8 | Y1095 Y1543 N1544 R1545 | Y1095-Q1547 WeakPolarHBondContact CD1-O 3.44Å; Y1095-Q1547 WeakPolarHBondContact O-CG 3.47Å; Y1095-Q1547 PolarHBondContact O-NE2 2.93Å; Y1543-Q1547 WeakPolarHBondContact O-CB 3.22Å; Y1543-Q1547 PolarHBondContact O-N 3.34Å; N1544-Q1547 WeakPolarHBondContact O-CB 3.5Å; N1544-Q1547 PolarHBondContact O-N 3.27Å; R1545-Q1547 PolarHBondContact O-N 3.16Å |
| 1548 | T | 80.7 | Confident | 80.4 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 58% | 0.577 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -85.9 | -26.8 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | N1544 R1545 L1550 | N1544-T1548 PolarHBondContact O-N 2.93Å; N1544-T1548 VanDerWaalsContact O-N 3.14Å; N1544-T1548 PolarHBondContact O-OG1 3.22Å; R1545-T1548 CarbonylContact O-C 3.58Å; R1545-T1548 PolarHBondContact O-N 3.5Å; R1545-T1548 PolarHBondContact O-OG1 3.2Å; T1548-L1550 PolarHBondContact O-N 2.78Å |
| 1549 | D | 83.1 | Confident | 78.7 | Confident | 99 Ų | 99 | 82 Ų | 82 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | trans | -85.2 | 89.4 | -179 | -163.3 | 8.3 | 0 | 0 | 0 | 110.1 | R1545 | R1545-D1549 WeakPolarHBondContact O-CB 3.5Å; R1545-D1549 PolarHBondContact O-N 3.02Å | ||
| 1550 | L | 78.8 | Confident | 77.2 | Confident | 26 Ų | 26 | 88.5 Ų | 88.5 | 14% | 0.136 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 132.5 | -174.1 | -58.8 | 177 | 0 | 0 | 0 | 111.3 | M1092 L1094 Y1095 M1332 T1548 L1552 | M1092-L1550 VanDerWaalsContact O-CD1 3.27Å; M1092-L1550 WeakPolarHBondContact O-CD1 3.44Å; L1094-L1550 HydrophobicContact CB-CD1 4.31Å; L1094-L1550 WeakPolarHBondContact O-CD2 3.49Å; Y1095-L1550 HydrophobicContact CD1-CD1 3.98Å; Y1095-L1550 HydrophobicContact CD1-CD2 4.47Å; Y1095-L1550 HydrophobicContact CD1-CG 4.33Å; Y1095-L1550 HydrophobicContact CE1-CD1 3.78Å; Y1095-L1550 HydrophobicContact CE1-CG 4.29Å; M1332-L1550 HydrophobicContact CE-CD2 3.67Å; T1548-L1550 PolarHBondContact O-N 2.78Å; L1550-L1552 PolarHBondContact O-N 2.8Å |
| 1551 | E | 78.8 | Confident | 75.7 | Confident | 110 Ų | 110 | 88.2 Ų | 88.2 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 116.6 | 169.9 | -72.6 | -176.7 | -173 | 0 | 0 | 111.4 | ||
| 1552 | L | 76 | Confident | 74.3 | Confident | 63 Ų | 63 | 90.8 Ų | 90.8 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 144.3 | -179.3 | -58 | 168.7 | 0 | 0 | 0 | 111.5 | Q1091 M1092 R1328 L1550 | Q1091-L1552 HydrophobicContact CB-CD2 3.71Å; M1092-L1552 HydrophobicContact CE-CD1 3.3Å; M1092-L1552 HydrophobicContact CE-CD2 4.08Å; M1092-L1552 HydrophobicContact CE-CG 4.31Å; M1092-L1552 HydrophobicContact CG-CD2 4.48Å; M1092-L1552 HydrophobicContact SD-CD1 3.45Å; M1092-L1552 WeakPolarHBondContact SD-CD1 3.34Å; M1092-L1552 HydrophobicContact SD-CD2 3.49Å; M1092-L1552 WeakPolarHBondContact SD-CD2 3.39Å; M1092-L1552 HydrophobicContact SD-CG 4.08Å; R1328-L1552 PolarHBondContact NH1-O 3.26Å; R1328-L1552 VanDerWaalsContact NH1-O 3.15Å; L1550-L1552 PolarHBondContact O-N 2.8Å |
| 1553 | Q | 81.4 | Confident | 72.9 | Confident | 22 Ų | 22 | 88.4 Ų | 88.4 | 10% | 0.103 | 44% | 0.444 | C | S | . | . | trans | -105.4 | 117.5 | 169.5 | -174.2 | 173.5 | -1 | 0 | 0 | 108.2 | G1075 Q1091 Q1321 | G1075-Q1553 WeakPolarHBondContact CA-O 3.34Å; Q1091-Q1553 PolarHBondContact NE2-O 3.21Å; Q1091-Q1553 PolarHBondContact OE1-O 3.5Å; Q1321-Q1553 PolarHBondContact O-OE1 3.07Å | ||
| 1554 | L | 76.8 | Confident | 71.3 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | trans | -110.4 | 130 | 176.9 | -59.2 | 174.8 | 0 | 0 | 0 | 108.9 | I1072 I1556 L1579 | I1072-L1554 HydrophobicContact CG2-CD2 4.29Å; L1554-I1556 HydrophobicContact CB-CD1 4.05Å; L1554-I1556 HydrophobicContact CB-CG1 4.17Å; L1554-L1579 HydrophobicContact CD1-CD1 3.77Å | ||
| 1555 | L | 72.8 | Confident | 69.4 | Low | 46 Ų | 46 | 93 Ų | 93 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | trans | -98 | 109.9 | 175.2 | -175.6 | 75 | 0 | 0 | 0 | 109.3 | R1071 T1077 Q1321 | R1071-L1555 HydrophobicContact CG-CD2 4.46Å; T1077-L1555 HydrophobicContact CG2-CD2 3.26Å; Q1321-L1555 VanDerWaalsContact NE2-CD1 3.31Å | ||
| 1556 | I | 69.9 | Low | 68 | Low | 74 Ų | 74 | 91.4 Ų | 91.4 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | trans | -126.3 | 142.7 | -174 | -54.6 | 172.1 | 0 | 0 | 0 | 108.5 | L1554 F1560 V1561 | L1554-I1556 HydrophobicContact CB-CD1 4.05Å; L1554-I1556 HydrophobicContact CB-CG1 4.17Å; I1556-F1560 HydrophobicContact CG2-CB 3.37Å; I1556-F1560 HydrophobicContact CG2-CG 4.31Å; I1556-V1561 HydrophobicContact CB-CG2 4.03Å; I1556-V1561 HydrophobicContact CD1-CG2 3.55Å; I1556-V1561 HydrophobicContact CG1-CG2 4.39Å; I1556-V1561 HydrophobicContact CG2-CG2 3.7Å | ||
| 1557 | K | 63.1 | Low | 66.1 | Low | 166 Ų | 166 | 97.7 Ų | 97.7 | 72% | 0.722 | 50% | 0.501 | S | S | * | . | trans | -71.2 | 146.7 | 175 | -73.1 | -178.1 | 179.3 | -179.2 | 0 | 110.1 | G1559 F1560 | K1557-G1559 PolarHBondContact O-N 3.26Å; K1557-F1560 HydrophobicContact CB-CD2 3.66Å; K1557-F1560 HydrophobicContact CB-CE2 3.82Å; K1557-F1560 HydrophobicContact CD-CE2 4.23Å; K1557-F1560 PolarHBondContact O-N 3.4Å | ||
| 1558 | Q | 56.4 | Low | 64.4 | Low | 204 Ų | 204 | 101.2 Ų | 101.2 | 95% | 0.953 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 126.3 | 174.5 | -172.3 | 176.9 | 0.8 | 0 | 0 | 109.8 | ||
| 1559 | G | 55.9 | Low | 62.5 | Low | 65 Ų | 65 | 101.5 Ų | 101.5 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.7 | -12.5 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1557 | K1557-G1559 PolarHBondContact O-N 3.26Š|
| 1560 | F | 59.3 | Low | 60.9 | Low | 161 Ų | 161 | 103.1 Ų | 103.1 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -91.9 | -13.7 | 175.1 | -76.6 | -89.9 | 0 | 0 | 0 | 114.1 | I1556 K1557 | I1556-F1560 HydrophobicContact CG2-CB 3.37Å; I1556-F1560 HydrophobicContact CG2-CG 4.31Å; K1557-F1560 HydrophobicContact CB-CD2 3.66Å; K1557-F1560 HydrophobicContact CB-CE2 3.82Å; K1557-F1560 HydrophobicContact CD-CE2 4.23Å; K1557-F1560 PolarHBondContact O-N 3.4Å |
| 1561 | V | 57.9 | Low | 59.6 | Low | 50 Ų | 50 | 105 Ų | 105 | 30% | 0.303 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -105.8 | 106.2 | 169.7 | -165.7 | 0 | 0 | 0 | 0 | 106.4 | I1556 V1563 A1577 | I1556-V1561 HydrophobicContact CB-CG2 4.03Å; I1556-V1561 HydrophobicContact CD1-CG2 3.55Å; I1556-V1561 HydrophobicContact CG1-CG2 4.39Å; I1556-V1561 HydrophobicContact CG2-CG2 3.7Å; V1561-V1563 VanDerWaalsContact C-N 3.31Å; V1561-V1563 HydrophobicContact CB-CG2 4.19Å; V1561-V1563 HydrophobicContact CG1-CG2 3.33Å; V1561-V1563 PolarHBondContact O-N 2.96Å; V1561-V1563 VanDerWaalsContact O-N 3.09Å; V1561-A1577 HydrophobicContact CG1-CB 4.32Å |
| 1562 | E | 57 | Low | 58.4 | Low | 192 Ų | 192 | 107.1 Ų | 107.1 | 90% | 0.897 | 56% | 0.559 | S | S | * | * | trans | -77 | 89.1 | 169 | -65.2 | -176.2 | -178.3 | 0 | 0 | 107.4 | ||||
| 1563 | V | 57.5 | Low | 57.3 | Low | 31 Ų | 31 | 108.7 Ų | 108.7 | 19% | 0.188 | 57% | 0.568 | C | S | . | * | trans | -105.1 | 130.6 | 165.7 | -160.3 | 0 | 0 | 0 | 0 | 106.7 | V1561 I1565 L1571 Y1574 | V1561-V1563 VanDerWaalsContact C-N 3.31Å; V1561-V1563 HydrophobicContact CB-CG2 4.19Å; V1561-V1563 HydrophobicContact CG1-CG2 3.33Å; V1561-V1563 PolarHBondContact O-N 2.96Å; V1561-V1563 VanDerWaalsContact O-N 3.09Å; V1563-I1565 WeakPolarHBondContact O-CG1 3.49Å; V1563-I1565 PolarHBondContact O-N 3.24Å; V1563-L1571 HydrophobicContact CB-CD2 3.81Å; V1563-L1571 HydrophobicContact CG1-CD2 3.36Å; V1563-Y1574 HydrophobicContact CG2-CD1 4.15Å; V1563-Y1574 HydrophobicContact CG2-CE1 4.31Å | ||
| 1564 | N | 55.5 | Low | 56.3 | Low | 96 Ų | 96 | 114.2 Ų | 114.2 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | trans | -57.2 | 109.3 | 178.9 | -77.4 | -28 | 0 | 0 | 0 | 109.9 | H215 N1566 | H215-N1564 PolarHBondContact CE1-OD1 3.12Å; H215-N1564 VanDerWaalsContact CE1-OD1 3.31Å; H215-N1564 PolarHBondContact ND1-ND2 3.5Å; N1564-N1566 PolarHBondContact O-N 2.87Å | ||
| 1565 | I | 48.5 | Very low | 55.5 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 64% | 0.641 | 60% | 0.6 | S | S | * | * | trans | -81.4 | 103.5 | -177.6 | -52.3 | 175.4 | 0 | 0 | 0 | 108.3 | V1563 Q1567 L1571 | V1563-I1565 WeakPolarHBondContact O-CG1 3.49Å; V1563-I1565 PolarHBondContact O-N 3.24Å; I1565-Q1567 PolarHBondContact O-N 2.88Å; I1565-L1571 HydrophobicContact CG1-CD1 4.13Å; I1565-L1571 HydrophobicContact CG2-CD1 4.5Å | ||
| 1566 | N | 52.8 | Low | 54.9 | Low | 123 Ų | 123 | 118 Ų | 118 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | trans | -72.6 | 112 | 161 | -68.8 | -15.6 | 0 | 0 | 0 | 107.3 | N1564 S1568 T1569 | N1564-N1566 PolarHBondContact O-N 2.87Å; N1566-S1568 PolarHBondContact O-N 3.23Å; N1566-T1569 PolarHBondContact O-N 3.34Å | ||
| 1567 | Q | 44.3 | Very low | 54.5 | Low | 198 Ų | 198 | 116.1 Ų | 116.1 | 93% | 0.925 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 4.9 | -165.4 | -79.7 | 179.5 | -14.6 | 0 | 0 | 118 | I1565 | I1565-Q1567 PolarHBondContact O-N 2.88Š|
| 1568 | S | 46.4 | Very low | 54.4 | Low | 115 Ų | 115 | 112.3 Ų | 112.3 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | -0.7 | -178.4 | 58 | 0 | 0 | 0 | 0 | 115.9 | N1566 | N1566-S1568 PolarHBondContact O-N 3.23Š|
| 1569 | T | 41.6 | Very low | 54.8 | Low | 100 Ų | 100 | 108.4 Ų | 108.4 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -118 | 133.3 | -175.7 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | N1566 L1571 | N1566-T1569 PolarHBondContact O-N 3.34Å; T1569-L1571 PolarHBondContact O-N 3.04Å |
| 1570 | L | 48.9 | Very low | 55.3 | Low | 133 Ų | 133 | 110.4 Ų | 110.4 | 70% | 0.696 | 57% | 0.572 | S | S | * | * | trans | -64.9 | 114.3 | 169 | -159.8 | 77.9 | 0 | 0 | 0 | 108.1 | H1572 | L1570-H1572 PolarHBondContact O-CD2 2.68Å; L1570-H1572 VanDerWaalsContact O-CD2 3.29Å; L1570-H1572 PolarHBondContact O-N 3.32Å | ||
| 1571 | L | 50.8 | Low | 55.5 | Low | 65 Ų | 65 | 107.6 Ų | 107.6 | 34% | 0.34 | 56% | 0.561 | S | S | . | * | trans | -62.1 | 103.1 | -177.8 | -89.7 | 139.3 | 0 | 0 | 0 | 111.1 | V1563 I1565 T1569 | V1563-L1571 HydrophobicContact CB-CD2 3.81Å; V1563-L1571 HydrophobicContact CG1-CD2 3.36Å; I1565-L1571 HydrophobicContact CG1-CD1 4.13Å; I1565-L1571 HydrophobicContact CG2-CD1 4.5Å; T1569-L1571 PolarHBondContact O-N 3.04Å | ||
| 1572 | H | 53.3 | Low | 55.8 | Low | 155 Ų | 155 | 113.6 Ų | 113.6 | 72% | 0.718 | 58% | 0.578 | S | S | * | * | trans | -100.1 | -20.9 | 175.5 | -73 | -61.6 | 0 | 0 | 0 | 113.7 | L1570 | L1570-H1572 PolarHBondContact O-CD2 2.68Å; L1570-H1572 VanDerWaalsContact O-CD2 3.29Å; L1570-H1572 PolarHBondContact O-N 3.32Å | ||
| 1573 | D | 54.2 | Low | 56.3 | Low | 97 Ų | 97 | 110.8 Ų | 110.8 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | trans | -107 | 124.7 | -175.8 | -161.3 | -11.9 | 0 | 0 | 0 | 111.8 | N1575 | D1573-N1575 VanDerWaalsContact OD1-CB 3.24Å; D1573-N1575 WeakPolarHBondContact OD1-CB 3.38Å; D1573-N1575 PolarHBondContact OD1-N 2.82Å; D1573-N1575 PolarHBondContact OD1-ND2 3.1Å; D1573-N1575 PolarHBondContact OD2-ND2 2.8Å; D1573-N1575 VanDerWaalsContact OD2-ND2 3.15Å | ||
| 1574 | Y | 59.4 | Low | 57 | Low | 137 Ų | 137 | 114.9 Ų | 114.9 | 54% | 0.537 | 58% | 0.582 | S | S | . | * | trans | -118.3 | 16 | 178 | -63.4 | -82.7 | 0 | 0 | 0 | 112 | V1563 D1576 A1577 | V1563-Y1574 HydrophobicContact CG2-CD1 4.15Å; V1563-Y1574 HydrophobicContact CG2-CE1 4.31Å; Y1574-D1576 PolarHBondContact O-N 3.26Å; Y1574-A1577 WeakPolarHBondContact O-CB 3.43Å; Y1574-A1577 PolarHBondContact O-N 3.3Å | ||
| 1575 | N | 60.4 | Low | 57.8 | Low | 106 Ų | 106 | 113.3 Ų | 113.3 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -24.8 | 178.4 | -71.8 | -26.9 | 0 | 0 | 0 | 112.7 | R218 K245 D1573 | R218-N1575 PolarHBondContact NH1-O 2.71Å; K245-N1575 PolarHBondContact NZ-O 2.68Å; K245-N1575 VanDerWaalsContact NZ-O 3.13Å; D1573-N1575 VanDerWaalsContact OD1-CB 3.24Å; D1573-N1575 WeakPolarHBondContact OD1-CB 3.38Å; D1573-N1575 PolarHBondContact OD1-N 2.82Å; D1573-N1575 PolarHBondContact OD1-ND2 3.1Å; D1573-N1575 PolarHBondContact OD2-ND2 2.8Å; D1573-N1575 VanDerWaalsContact OD2-ND2 3.15Å |
| 1576 | D | 59.8 | Low | 59.1 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -14.1 | 178 | -67.6 | 0.3 | 0 | 0 | 0 | 115.3 | K245 Y1574 L1578 | K245-D1576 WeakPolarHBondContact CD-OD1 3.41Å; K245-D1576 WeakPolarHBondContact CE-OD1 3.37Å; K245-D1576 VanDerWaalsContact NZ-CA 3.3Å; K245-D1576 IonicContact NZ-OD1 2.76Å; K245-D1576 PolarHBondContact NZ-OD1 2.78Å; Y1574-D1576 PolarHBondContact O-N 3.26Å; D1576-L1578 PolarHBondContact O-N 3.48Å |
| 1577 | A | 61.5 | Low | 60.1 | Low | 35 Ų | 35 | 109.5 Ų | 109.5 | 29% | 0.289 | 55% | 0.551 | S | S | . | * | trans | -73.2 | 119.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | R218 V1561 Y1574 | R218-A1577 PolarHBondContact NH1-O 3.08Å; V1561-A1577 HydrophobicContact CG1-CB 4.32Å; Y1574-A1577 WeakPolarHBondContact O-CB 3.43Å; Y1574-A1577 PolarHBondContact O-N 3.3Å | ||
| 1578 | L | 62.1 | Low | 61.6 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 45% | 0.45 | 53% | 0.532 | S | S | . | . | trans | -88.2 | 134.3 | 170.9 | -92.1 | 160.3 | 0 | 0 | 0 | 110.7 | R218 D1576 I1580 | R218-L1578 HydrophobicContact CB-CD1 4.26Å; R218-L1578 HydrophobicContact CB-CD2 3.98Å; R218-L1578 HydrophobicContact CB-CG 3.81Å; R218-L1578 HydrophobicContact CG-CD2 3.47Å; R218-L1578 VanDerWaalsContact CG-CD2 3.47Å; R218-L1578 HydrophobicContact CG-CG 3.66Å; R218-L1578 WeakPolarHBondContact O-CD2 3.34Å; D1576-L1578 PolarHBondContact O-N 3.48Å; L1578-I1580 HydrophobicContact CB-CG1 4.33Å | ||
| 1579 | L | 63.3 | Low | 63 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | trans | -93.7 | 103.7 | 168.6 | -166.9 | 97.3 | 0 | 0 | 0 | 109.2 | L1554 | L1554-L1579 HydrophobicContact CD1-CD1 3.77Š| ||
| 1580 | I | 66.9 | Low | 64.6 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 54% | 0.544 | 51% | 0.51 | S | S | . | . | trans | -98.3 | 135.3 | 178.1 | -53.9 | 174.3 | 0 | 0 | 0 | 109.5 | L1578 R1582 V1585 | L1578-I1580 HydrophobicContact CB-CG1 4.33Å; I1580-R1582 PolarHBondContact O-N 2.72Å; I1580-V1585 HydrophobicContact CG2-CG2 3.62Å | ||
| 1581 | Q | 63.7 | Low | 65.6 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | trans | -70.7 | 124.6 | 176.5 | -170.8 | -178.9 | 7.2 | 0 | 0 | 110.3 | E1583 Q1584 V1585 | Q1581-E1583 VanDerWaalsContact C-N 3.25Å; Q1581-E1583 HydrophobicContact CG-CB 4.23Å; Q1581-E1583 PolarHBondContact NE2-OE2 3.17Å; Q1581-E1583 PolarHBondContact O-N 2.66Å; Q1581-Q1584 HydrophobicContact CB-CG 4.24Å; Q1581-Q1584 WeakPolarHBondContact O-CB 3.34Å; Q1581-Q1584 PolarHBondContact O-N 2.7Å; Q1581-V1585 PolarHBondContact O-N 3.48Å | ||
| 1582 | R | 64.7 | Low | 66.5 | Low | 176 Ų | 176 | 104 Ų | 104 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.8 | -39.3 | 180 | -177.9 | 176.6 | 173.1 | -173.2 | -6.3 | 113.3 | I1580 Q1584 V1585 E1586 | I1580-R1582 PolarHBondContact O-N 2.72Å; R1582-Q1584 VanDerWaalsContact C-N 3.26Å; R1582-Q1584 PolarHBondContact O-N 2.68Å; R1582-V1585 PolarHBondContact O-N 3.21Å; R1582-V1585 VanDerWaalsContact O-N 3.13Å; R1582-E1586 HydrophobicContact CG-CG 4.18Å; R1582-E1586 IonicContact CZ-OE1 2.99Å; R1582-E1586 IonicContact NE-OE1 3.88Å; R1582-E1586 PolarHBondContact NE-OE1 3.45Å; R1582-E1586 IonicContact NH2-OE1 3.54Å; R1582-E1586 PolarHBondContact NH2-OE1 2.66Å; R1582-E1586 PolarHBondContact O-N 2.82Å |
| 1583 | E | 66.3 | Low | 67.4 | Low | 134 Ų | 134 | 101.6 Ų | 101.6 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.5 | -37 | 177.8 | -68.1 | 177.7 | 179.1 | 0 | 0 | 112.7 | Q1581 E1587 | Q1581-E1583 VanDerWaalsContact C-N 3.25Å; Q1581-E1583 HydrophobicContact CG-CB 4.23Å; Q1581-E1583 PolarHBondContact NE2-OE2 3.17Å; Q1581-E1583 PolarHBondContact O-N 2.66Å; E1583-E1587 VanDerWaalsContact O-CB 3.25Å; E1583-E1587 WeakPolarHBondContact O-CB 3.37Å; E1583-E1587 PolarHBondContact O-N 3.23Å |
| 1584 | Q | 72.2 | Confident | 68.2 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 177.1 | -68.3 | -176.9 | -9 | 0 | 0 | 111 | Q1581 R1582 L1588 | Q1581-Q1584 HydrophobicContact CB-CG 4.24Å; Q1581-Q1584 WeakPolarHBondContact O-CB 3.34Å; Q1581-Q1584 PolarHBondContact O-N 2.7Å; R1582-Q1584 VanDerWaalsContact C-N 3.26Å; R1582-Q1584 PolarHBondContact O-N 2.68Å; Q1584-L1588 WeakPolarHBondContact O-CB 3.32Å; Q1584-L1588 PolarHBondContact O-N 3.38Å |
| 1585 | V | 72.2 | Confident | 68.8 | Low | 62 Ų | 62 | 101.4 Ų | 101.4 | 38% | 0.376 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | I1580 Q1581 R1582 L1588 N1589 | I1580-V1585 HydrophobicContact CG2-CG2 3.62Å; Q1581-V1585 PolarHBondContact O-N 3.48Å; R1582-V1585 PolarHBondContact O-N 3.21Å; R1582-V1585 VanDerWaalsContact O-N 3.13Å; V1585-L1588 PolarHBondContact O-N 3.45Å; V1585-N1589 WeakPolarHBondContact O-CB 3.25Å; V1585-N1589 PolarHBondContact O-N 2.66Å; V1585-N1589 PolarHBondContact O-ND2 3.31Å |
| 1586 | E | 75.8 | Confident | 68.5 | Low | 71 Ų | 71 | 97.5 Ų | 97.5 | 33% | 0.332 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 177.4 | -73.6 | -176.9 | 170.5 | 0 | 0 | 112.7 | R1582 N1589 K1590 | R1582-E1586 HydrophobicContact CG-CG 4.18Å; R1582-E1586 IonicContact CZ-OE1 2.99Å; R1582-E1586 IonicContact NE-OE1 3.88Å; R1582-E1586 PolarHBondContact NE-OE1 3.45Å; R1582-E1586 IonicContact NH2-OE1 3.54Å; R1582-E1586 PolarHBondContact NH2-OE1 2.66Å; R1582-E1586 PolarHBondContact O-N 2.82Å; E1586-N1589 PolarHBondContact O-N 2.7Å; E1586-K1590 WeakPolarHBondContact O-CB 3.19Å; E1586-K1590 VanDerWaalsContact O-CG 3.31Å; E1586-K1590 WeakPolarHBondContact O-CG 2.97Å; E1586-K1590 PolarHBondContact O-N 2.59Å |
| 1587 | E | 75 | Confident | 68.3 | Low | 98 Ų | 98 | 100.1 Ų | 100.1 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 172.2 | -176.2 | 58.4 | -149.4 | 0 | 0 | 111.1 | E1583 K1590 Q1591 | E1583-E1587 VanDerWaalsContact O-CB 3.25Å; E1583-E1587 WeakPolarHBondContact O-CB 3.37Å; E1583-E1587 PolarHBondContact O-N 3.23Å; E1587-K1590 PolarHBondContact O-N 3.42Å; E1587-Q1591 WeakPolarHBondContact O-CG 3.27Å; E1587-Q1591 PolarHBondContact O-N 3.41Å; E1587-Q1591 PolarHBondContact OE1-NE2 2.63Å |
| 1588 | L | 74.8 | Confident | 68.1 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 173 | -125.3 | 137.1 | 0 | 0 | 0 | 111.2 | Q1584 V1585 Q1591 I1592 | Q1584-L1588 WeakPolarHBondContact O-CB 3.32Å; Q1584-L1588 PolarHBondContact O-N 3.38Å; V1585-L1588 PolarHBondContact O-N 3.45Å; L1588-Q1591 PolarHBondContact O-N 2.97Å; L1588-I1592 HydrophobicContact CD2-CD1 3.76Å; L1588-I1592 HydrophobicContact CD2-CG1 4.34Å; L1588-I1592 WeakPolarHBondContact O-CB 3.35Å; L1588-I1592 WeakPolarHBondContact O-CD1 3.44Å; L1588-I1592 WeakPolarHBondContact O-CG1 3.45Å; L1588-I1592 PolarHBondContact O-N 2.64Å |
| 1589 | N | 76.6 | Confident | 67.7 | Low | 77 Ų | 77 | 103.1 Ų | 103.1 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 177 | -76.1 | -18.2 | 0 | 0 | 0 | 112.1 | V1585 E1586 I1592 I1593 | V1585-N1589 WeakPolarHBondContact O-CB 3.25Å; V1585-N1589 PolarHBondContact O-N 2.66Å; V1585-N1589 PolarHBondContact O-ND2 3.31Å; E1586-N1589 PolarHBondContact O-N 2.7Å; N1589-I1592 PolarHBondContact O-N 3.35Å; N1589-I1593 WeakPolarHBondContact O-CB 3.41Å; N1589-I1593 WeakPolarHBondContact O-CD1 3.21Å; N1589-I1593 WeakPolarHBondContact O-CG1 3.45Å; N1589-I1593 PolarHBondContact O-N 2.64Å |
| 1590 | K | 73.8 | Confident | 66.6 | Low | 124 Ų | 124 | 101.3 Ų | 101.3 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 172.6 | -75.3 | 173.2 | -174.4 | 174.5 | 0 | 111.2 | E1586 E1587 I1593 I1594 | E1586-K1590 WeakPolarHBondContact O-CB 3.19Å; E1586-K1590 VanDerWaalsContact O-CG 3.31Å; E1586-K1590 WeakPolarHBondContact O-CG 2.97Å; E1586-K1590 PolarHBondContact O-N 2.59Å; E1587-K1590 PolarHBondContact O-N 3.42Å; K1590-I1593 PolarHBondContact O-N 2.93Å; K1590-I1594 VanDerWaalsContact O-CG1 3.29Å; K1590-I1594 WeakPolarHBondContact O-CG1 2.9Å; K1590-I1594 PolarHBondContact O-N 3.22Å |
| 1591 | Q | 70.7 | Confident | 65.6 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 174.9 | -71 | 178.9 | 15.4 | 0 | 0 | 112.4 | E1587 L1588 I1594 L1595 | E1587-Q1591 WeakPolarHBondContact O-CG 3.27Å; E1587-Q1591 PolarHBondContact O-N 3.41Å; E1587-Q1591 PolarHBondContact OE1-NE2 2.63Å; L1588-Q1591 PolarHBondContact O-N 2.97Å; Q1591-I1594 PolarHBondContact O-N 3.39Å; Q1591-L1595 WeakPolarHBondContact O-CB 3.36Å; Q1591-L1595 WeakPolarHBondContact O-CG 3.31Å; Q1591-L1595 PolarHBondContact O-N 3.34Å |
| 1592 | I | 69.6 | Low | 64.9 | Low | 91 Ų | 91 | 103.5 Ų | 103.5 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 175.1 | -70.3 | 163.8 | 0 | 0 | 0 | 110.9 | L1588 N1589 L1595 G1596 | L1588-I1592 HydrophobicContact CD2-CD1 3.76Å; L1588-I1592 HydrophobicContact CD2-CG1 4.34Å; L1588-I1592 WeakPolarHBondContact O-CB 3.35Å; L1588-I1592 WeakPolarHBondContact O-CD1 3.44Å; L1588-I1592 WeakPolarHBondContact O-CG1 3.45Å; L1588-I1592 PolarHBondContact O-N 2.64Å; N1589-I1592 PolarHBondContact O-N 3.35Å; I1592-L1595 PolarHBondContact O-N 3.09Å; I1592-G1596 WeakPolarHBondContact O-CA 3.29Å; I1592-G1596 PolarHBondContact O-N 3.09Å |
| 1593 | I | 72.3 | Confident | 64 | Low | 103 Ų | 103 | 99.6 Ų | 99.6 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 176.4 | -70.2 | 162.3 | 0 | 0 | 0 | 110.5 | N1589 K1590 L1595 G1596 E1597 | N1589-I1593 WeakPolarHBondContact O-CB 3.41Å; N1589-I1593 WeakPolarHBondContact O-CD1 3.21Å; N1589-I1593 WeakPolarHBondContact O-CG1 3.45Å; N1589-I1593 PolarHBondContact O-N 2.64Å; K1590-I1593 PolarHBondContact O-N 2.93Å; I1593-L1595 VanDerWaalsContact C-N 3.33Å; I1593-L1595 PolarHBondContact O-N 2.66Å; I1593-G1596 CarbonylContact O-C 3.55Å; I1593-G1596 WeakPolarHBondContact O-CA 3.09Å; I1593-G1596 PolarHBondContact O-N 3.37Å; I1593-G1596 VanDerWaalsContact O-N 3.11Å; I1593-E1597 PolarHBondContact O-N 3.29Å |
| 1594 | I | 72.1 | Confident | 63 | Low | 122 Ų | 122 | 98.3 Ų | 98.3 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 176.5 | -67.1 | 164.3 | 0 | 0 | 0 | 110.9 | K1590 Q1591 | K1590-I1594 VanDerWaalsContact O-CG1 3.29Å; K1590-I1594 WeakPolarHBondContact O-CG1 2.9Å; K1590-I1594 PolarHBondContact O-N 3.22Å; Q1591-I1594 PolarHBondContact O-N 3.39Å |
| 1595 | L | 70.9 | Confident | 62 | Low | 109 Ų | 109 | 100.7 Ų | 100.7 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -38.8 | 174.4 | -73.9 | 165.9 | 0 | 0 | 0 | 111.6 | Q1591 I1592 I1593 S1598 I1599 | Q1591-L1595 WeakPolarHBondContact O-CB 3.36Å; Q1591-L1595 WeakPolarHBondContact O-CG 3.31Å; Q1591-L1595 PolarHBondContact O-N 3.34Å; I1592-L1595 PolarHBondContact O-N 3.09Å; I1593-L1595 VanDerWaalsContact C-N 3.33Å; I1593-L1595 PolarHBondContact O-N 2.66Å; L1595-S1598 PolarHBondContact O-N 3.25Å; L1595-S1598 PolarHBondContact O-OG 3.41Å; L1595-I1599 WeakPolarHBondContact O-CD1 3.29Å; L1595-I1599 WeakPolarHBondContact O-CG1 3.39Å; L1595-I1599 PolarHBondContact O-N 3.48Å |
| 1596 | G | 54.2 | Low | 60.9 | Low | 23 Ų | 23 | 104.5 Ų | 104.5 | 24% | 0.237 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1592 I1593 S1598 I1599 N1600 | I1592-G1596 WeakPolarHBondContact O-CA 3.29Å; I1592-G1596 PolarHBondContact O-N 3.09Å; I1593-G1596 CarbonylContact O-C 3.55Å; I1593-G1596 WeakPolarHBondContact O-CA 3.09Å; I1593-G1596 PolarHBondContact O-N 3.37Å; I1593-G1596 VanDerWaalsContact O-N 3.11Å; G1596-S1598 VanDerWaalsContact C-N 3.25Å; G1596-S1598 PolarHBondContact O-N 3.18Å; G1596-I1599 CarbonylContact O-C 3.45Å; G1596-I1599 WeakPolarHBondContact O-CA 3.49Å; G1596-I1599 PolarHBondContact O-N 3.11Å; G1596-N1600 PolarHBondContact O-N 3.4Å; G1596-N1600 PolarHBondContact O-OD1 3.08Å; G1596-N1600 VanDerWaalsContact O-OD1 3.05Å |
| 1597 | E | 56.5 | Low | 59.6 | Low | 139 Ų | 139 | 106.4 Ų | 106.4 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.2 | -35.1 | 176.5 | -76.3 | -173.6 | 167.5 | 0 | 0 | 112.8 | I1593 I1599 | I1593-E1597 PolarHBondContact O-N 3.29Å; E1597-I1599 VanDerWaalsContact C-N 3.28Å; E1597-I1599 PolarHBondContact O-N 3.22Å |
| 1598 | S | 55.9 | Low | 58.9 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.9 | -22.9 | 175.3 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | L1595 G1596 | L1595-S1598 PolarHBondContact O-N 3.25Å; L1595-S1598 PolarHBondContact O-OG 3.41Å; G1596-S1598 VanDerWaalsContact C-N 3.25Å; G1596-S1598 PolarHBondContact O-N 3.18Å |
| 1599 | I | 54.9 | Low | 58.4 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -98.8 | -16.8 | -175.2 | -62.1 | 169 | 0 | 0 | 0 | 111.1 | L1595 G1596 E1597 G1601 F1602 M1603 | L1595-I1599 WeakPolarHBondContact O-CD1 3.29Å; L1595-I1599 WeakPolarHBondContact O-CG1 3.39Å; L1595-I1599 PolarHBondContact O-N 3.48Å; G1596-I1599 CarbonylContact O-C 3.45Å; G1596-I1599 WeakPolarHBondContact O-CA 3.49Å; G1596-I1599 PolarHBondContact O-N 3.11Å; E1597-I1599 VanDerWaalsContact C-N 3.28Å; E1597-I1599 PolarHBondContact O-N 3.22Å; I1599-G1601 PolarHBondContact O-N 2.69Å; I1599-F1602 PolarHBondContact O-N 2.64Å; I1599-M1603 HydrophobicContact CG2-CB 4.42Å; I1599-M1603 HydrophobicContact CG2-CG 3.49Å; I1599-M1603 VanDerWaalsContact CG2-CG 3.49Å; I1599-M1603 PolarHBondContact O-N 3.23Å |
| 1600 | N | 40.6 | Very low | 57.9 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -53.4 | -24.8 | -170.6 | -87.5 | -12.4 | 0 | 0 | 0 | 115.4 | G1596 F1602 | G1596-N1600 PolarHBondContact O-N 3.4Å; G1596-N1600 PolarHBondContact O-OD1 3.08Å; G1596-N1600 VanDerWaalsContact O-OD1 3.05Å; N1600-F1602 VanDerWaalsContact C-N 3.32Å; N1600-F1602 PolarHBondContact O-N 3.48Å |
| 1601 | G | 44.3 | Very low | 57.7 | Low | 74 Ų | 74 | 105 Ų | 105 | 76% | 0.763 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -29.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1599 | I1599-G1601 PolarHBondContact O-N 2.69Å |
| 1602 | F | 48.7 | Very low | 57.6 | Low | 181 Ų | 181 | 106.2 Ų | 106.2 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -101.4 | -30.8 | -175 | -135.2 | -88.1 | 0 | 0 | 0 | 112.8 | I1599 N1600 | I1599-F1602 PolarHBondContact O-N 2.64Å; N1600-F1602 VanDerWaalsContact C-N 3.32Å; N1600-F1602 PolarHBondContact O-N 3.48Å |
| 1603 | M | 47.1 | Very low | 57.8 | Low | 94 Ų | 94 | 106.4 Ų | 106.4 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -77.8 | -29.6 | -177.8 | -78.4 | -77.9 | -109.3 | 0 | 0 | 113.7 | I1599 K1605 K1606 L1607 | I1599-M1603 HydrophobicContact CG2-CB 4.42Å; I1599-M1603 HydrophobicContact CG2-CG 3.49Å; I1599-M1603 VanDerWaalsContact CG2-CG 3.49Å; I1599-M1603 PolarHBondContact O-N 3.23Å; M1603-K1605 VanDerWaalsContact C-N 3.3Å; M1603-K1605 PolarHBondContact O-N 2.66Å; M1603-K1606 CarbonylContact O-C 3.56Å; M1603-K1606 PolarHBondContact O-N 2.77Å; M1603-L1607 PolarHBondContact O-N 3.32Å |
| 1604 | L | 44.1 | Very low | 57.9 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.4 | -40.8 | -178.4 | -140.3 | 99.2 | 0 | 0 | 0 | 112.1 | K1606 L1607 E1608 | L1604-K1606 VanDerWaalsContact C-N 3.34Å; L1604-K1606 PolarHBondContact O-N 2.66Å; L1604-L1607 PolarHBondContact O-N 3.46Å; L1604-E1608 WeakPolarHBondContact O-CG 3.06Å; L1604-E1608 PolarHBondContact O-N 3.35Å |
| 1605 | K | 51.9 | Low | 58.1 | Low | 166 Ų | 166 | 108 Ų | 108 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.4 | -29.4 | 175.3 | -78.9 | -176.7 | 175.2 | 178.3 | 0 | 113.6 | M1603 L1609 | M1603-K1605 VanDerWaalsContact C-N 3.3Å; M1603-K1605 PolarHBondContact O-N 2.66Å; K1605-L1609 WeakPolarHBondContact O-CB 3.39Å; K1605-L1609 PolarHBondContact O-N 2.64Å |
| 1606 | K | 49.5 | Very low | 58.6 | Low | 143 Ų | 143 | 109.2 Ų | 109.2 | 62% | 0.622 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.2 | -37.2 | 176.7 | -111.6 | -171.8 | 175.3 | -171 | 0 | 111.3 | M1603 L1604 L1609 S1610 | M1603-K1606 CarbonylContact O-C 3.56Å; M1603-K1606 PolarHBondContact O-N 2.77Å; L1604-K1606 VanDerWaalsContact C-N 3.34Å; L1604-K1606 PolarHBondContact O-N 2.66Å; K1606-L1609 PolarHBondContact O-N 3.05Å; K1606-S1610 VanDerWaalsContact O-CB 3.24Å; K1606-S1610 WeakPolarHBondContact O-CB 3.07Å; K1606-S1610 PolarHBondContact O-N 3.33Å |
| 1607 | L | 47.9 | Very low | 59.6 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.2 | -42.3 | 174.4 | -85.2 | 156.5 | 0 | 0 | 0 | 111.6 | M1603 L1604 L1609 S1610 E1611 | M1603-L1607 PolarHBondContact O-N 3.32Å; L1604-L1607 PolarHBondContact O-N 3.46Å; L1607-L1609 VanDerWaalsContact C-N 3.35Å; L1607-L1609 PolarHBondContact O-N 3.33Å; L1607-S1610 PolarHBondContact O-N 3.34Å; L1607-E1611 VanDerWaalsContact O-CB 3.31Å; L1607-E1611 WeakPolarHBondContact O-CB 2.87Å; L1607-E1611 PolarHBondContact O-N 3.39Å |
| 1608 | E | 59.8 | Low | 60.7 | Low | 115 Ų | 115 | 112 Ų | 112 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.3 | -42.2 | 172.5 | -75.5 | 178.4 | 168.2 | 0 | 0 | 111.9 | L1604 M1612 | L1604-E1608 WeakPolarHBondContact O-CG 3.06Å; L1604-E1608 PolarHBondContact O-N 3.35Å; E1608-M1612 WeakPolarHBondContact O-CB 3.43Å; E1608-M1612 WeakPolarHBondContact O-CG 3.38Å; E1608-M1612 PolarHBondContact O-N 2.94Å |
| 1609 | L | 65.3 | Low | 61.9 | Low | 108 Ų | 108 | 112.6 Ų | 112.6 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -39.9 | 176.3 | -174.1 | 66 | 0 | 0 | 0 | 111.8 | K1605 K1606 L1607 M1612 L1613 | K1605-L1609 WeakPolarHBondContact O-CB 3.39Å; K1605-L1609 PolarHBondContact O-N 2.64Å; K1606-L1609 PolarHBondContact O-N 3.05Å; L1607-L1609 VanDerWaalsContact C-N 3.35Å; L1607-L1609 PolarHBondContact O-N 3.33Å; L1609-M1612 PolarHBondContact O-N 2.66Å; L1609-L1613 HydrophobicContact CG-CD1 4.2Å; L1609-L1613 WeakPolarHBondContact O-CB 3.23Å; L1609-L1613 VanDerWaalsContact O-CG 3.25Å; L1609-L1613 WeakPolarHBondContact O-CG 3.4Å; L1609-L1613 PolarHBondContact O-N 2.67Å |
| 1610 | S | 65.8 | Low | 62.8 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 37% | 0.371 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.7 | -36.2 | 178.7 | -163.4 | 0 | 0 | 0 | 0 | 112.2 | K1606 L1607 L1613 M1614 | K1606-S1610 VanDerWaalsContact O-CB 3.24Å; K1606-S1610 WeakPolarHBondContact O-CB 3.07Å; K1606-S1610 PolarHBondContact O-N 3.33Å; L1607-S1610 PolarHBondContact O-N 3.34Å; S1610-L1613 PolarHBondContact O-N 2.91Å; S1610-M1614 WeakPolarHBondContact O-CB 2.94Å; S1610-M1614 PolarHBondContact O-N 3.11Å |
| 1611 | E | 69.2 | Low | 64.4 | Low | 94 Ų | 94 | 113.2 Ų | 113.2 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | 172 | -170.5 | -169.8 | 162.5 | 0 | 0 | 110.2 | L1607 L1613 M1614 R1615 | L1607-E1611 VanDerWaalsContact O-CB 3.31Å; L1607-E1611 WeakPolarHBondContact O-CB 2.87Å; L1607-E1611 PolarHBondContact O-N 3.39Å; E1611-L1613 VanDerWaalsContact C-N 3.32Å; E1611-L1613 PolarHBondContact O-N 3.41Å; E1611-M1614 PolarHBondContact O-N 3.3Å; E1611-R1615 WeakPolarHBondContact O-CB 2.93Å; E1611-R1615 VanDerWaalsContact O-CG 3.3Å; E1611-R1615 WeakPolarHBondContact O-CG 3.45Å; E1611-R1615 PolarHBondContact O-N 3.39Å; E1611-R1615 IonicContact OE1-CZ 3.3Å; E1611-R1615 IonicContact OE1-NE 2.81Å; E1611-R1615 PolarHBondContact OE1-NE 3.15Å; E1611-R1615 IonicContact OE1-NH2 3.8Å; E1611-R1615 PolarHBondContact OE1-NH2 3.39Å |
| 1612 | M | 70 | Confident | 65.9 | Low | 129 Ų | 129 | 115.4 Ų | 115.4 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.9 | -36.6 | 174.2 | -74 | -73.6 | -79.6 | 0 | 0 | 112.1 | E1608 L1609 Y1616 | E1608-M1612 WeakPolarHBondContact O-CB 3.43Å; E1608-M1612 WeakPolarHBondContact O-CG 3.38Å; E1608-M1612 PolarHBondContact O-N 2.94Å; L1609-M1612 PolarHBondContact O-N 2.66Å; M1612-Y1616 WeakPolarHBondContact O-CB 3.26Å; M1612-Y1616 PolarHBondContact O-N 3.24Å |
| 1613 | L | 73.7 | Confident | 67.2 | Low | 94 Ų | 94 | 110.8 Ų | 110.8 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.3 | -43.7 | 174.3 | -75.1 | 167.5 | 0 | 0 | 0 | 112 | L1609 S1610 E1611 R1615 Y1616 E1617 | L1609-L1613 HydrophobicContact CG-CD1 4.2Å; L1609-L1613 WeakPolarHBondContact O-CB 3.23Å; L1609-L1613 VanDerWaalsContact O-CG 3.25Å; L1609-L1613 WeakPolarHBondContact O-CG 3.4Å; L1609-L1613 PolarHBondContact O-N 2.67Å; S1610-L1613 PolarHBondContact O-N 2.91Å; E1611-L1613 VanDerWaalsContact C-N 3.32Å; E1611-L1613 PolarHBondContact O-N 3.41Å; L1613-R1615 PolarHBondContact O-N 3.15Å; L1613-Y1616 CarbonylContact O-C 3.51Å; L1613-Y1616 WeakPolarHBondContact O-CA 3.06Å; L1613-Y1616 WeakPolarHBondContact O-CB 3.15Å; L1613-Y1616 PolarHBondContact O-N 3.48Å; L1613-Y1616 VanDerWaalsContact O-N 3.14Å; L1613-E1617 PolarHBondContact O-N 3.44Å |
| 1614 | M | 74.6 | Confident | 68.3 | Low | 113 Ų | 113 | 107.2 Ų | 107.2 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 173.1 | -92.8 | -175.5 | -103.4 | 0 | 0 | 111.5 | S1610 E1611 Y1616 E1617 D1618 | S1610-M1614 WeakPolarHBondContact O-CB 2.94Å; S1610-M1614 PolarHBondContact O-N 3.11Å; E1611-M1614 PolarHBondContact O-N 3.3Å; M1614-Y1616 VanDerWaalsContact C-N 3.29Å; M1614-Y1616 PolarHBondContact O-N 3.26Å; M1614-E1617 PolarHBondContact O-N 2.63Å; M1614-D1618 WeakPolarHBondContact O-CB 3.29Å; M1614-D1618 PolarHBondContact O-N 2.67Å |
| 1615 | R | 75.2 | Confident | 69.7 | Low | 145 Ų | 145 | 105.9 Ų | 105.9 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 173.9 | -74.6 | -177.8 | -177 | -167.1 | 1.6 | 111.9 | E1611 L1613 L1619 | E1611-R1615 WeakPolarHBondContact O-CB 2.93Å; E1611-R1615 VanDerWaalsContact O-CG 3.3Å; E1611-R1615 WeakPolarHBondContact O-CG 3.45Å; E1611-R1615 PolarHBondContact O-N 3.39Å; E1611-R1615 IonicContact OE1-CZ 3.3Å; E1611-R1615 IonicContact OE1-NE 2.81Å; E1611-R1615 PolarHBondContact OE1-NE 3.15Å; E1611-R1615 IonicContact OE1-NH2 3.8Å; E1611-R1615 PolarHBondContact OE1-NH2 3.39Å; L1613-R1615 PolarHBondContact O-N 3.15Å; R1615-L1619 VanDerWaalsContact O-CB 3.25Å; R1615-L1619 WeakPolarHBondContact O-CB 3.03Å; R1615-L1619 WeakPolarHBondContact O-CD1 3.26Å; R1615-L1619 WeakPolarHBondContact O-CG 3.29Å; R1615-L1619 PolarHBondContact O-N 2.69Å |
| 1616 | Y | 81.3 | Confident | 70.5 | Confident | 135 Ų | 135 | 103.9 Ų | 103.9 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 174.8 | 178 | -94.7 | 0 | 0 | 0 | 111.8 | M1612 L1613 M1614 L1619 Q1620 | M1612-Y1616 WeakPolarHBondContact O-CB 3.26Å; M1612-Y1616 PolarHBondContact O-N 3.24Å; L1613-Y1616 CarbonylContact O-C 3.51Å; L1613-Y1616 WeakPolarHBondContact O-CA 3.06Å; L1613-Y1616 WeakPolarHBondContact O-CB 3.15Å; L1613-Y1616 PolarHBondContact O-N 3.48Å; L1613-Y1616 VanDerWaalsContact O-N 3.14Å; M1614-Y1616 VanDerWaalsContact C-N 3.29Å; M1614-Y1616 PolarHBondContact O-N 3.26Å; Y1616-L1619 CarbonylContact O-C 3.56Å; Y1616-L1619 PolarHBondContact O-N 3.29Å; Y1616-Q1620 HydrophobicContact CD1-CG 4.21Å; Y1616-Q1620 HydrophobicContact CE1-CG 3.76Å; Y1616-Q1620 VanDerWaalsContact CE1-NE2 3.29Å; Y1616-Q1620 VanDerWaalsContact CZ-NE2 3.33Å; Y1616-Q1620 WeakPolarHBondContact O-CB 3.16Å; Y1616-Q1620 WeakPolarHBondContact O-CG 2.97Å; Y1616-Q1620 PolarHBondContact O-N 3.22Å; Y1616-Q1620 PolarHBondContact OH-NE2 3.19Å |
| 1617 | E | 74.9 | Confident | 71.4 | Confident | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 174.6 | -78.4 | -179 | 161 | 0 | 0 | 111.4 | L1613 M1614 L1619 Q1620 T1621 | L1613-E1617 PolarHBondContact O-N 3.44Å; M1614-E1617 PolarHBondContact O-N 2.63Å; E1617-L1619 VanDerWaalsContact C-N 3.31Å; E1617-L1619 PolarHBondContact O-N 2.69Å; E1617-Q1620 CarbonylContact O-C 3.57Å; E1617-Q1620 PolarHBondContact O-N 3.27Å; E1617-Q1620 VanDerWaalsContact O-N 3.16Å; E1617-T1621 WeakPolarHBondContact O-CB 3.36Å; E1617-T1621 PolarHBondContact O-N 2.64Å; E1617-T1621 PolarHBondContact O-OG1 3.49Å |
| 1618 | D | 79.6 | Confident | 72.6 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 172.4 | -99.8 | 2.8 | 0 | 0 | 0 | 111.2 | M1614 T1621 K1622 | M1614-D1618 WeakPolarHBondContact O-CB 3.29Å; M1614-D1618 PolarHBondContact O-N 2.67Å; D1618-T1621 PolarHBondContact O-N 3.23Å; D1618-K1622 VanDerWaalsContact O-CB 3.32Å; D1618-K1622 WeakPolarHBondContact O-CB 3.35Å; D1618-K1622 VanDerWaalsContact O-CG 3.31Å; D1618-K1622 WeakPolarHBondContact O-CG 2.98Å; D1618-K1622 PolarHBondContact O-N 3.4Å |
| 1619 | L | 81 | Confident | 73 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69 | -35.6 | 176.1 | -76.6 | 169.3 | 0 | 0 | 0 | 111.8 | R1615 Y1616 E1617 L1623 | R1615-L1619 VanDerWaalsContact O-CB 3.25Å; R1615-L1619 WeakPolarHBondContact O-CB 3.03Å; R1615-L1619 WeakPolarHBondContact O-CD1 3.26Å; R1615-L1619 WeakPolarHBondContact O-CG 3.29Å; R1615-L1619 PolarHBondContact O-N 2.69Å; Y1616-L1619 CarbonylContact O-C 3.56Å; Y1616-L1619 PolarHBondContact O-N 3.29Å; E1617-L1619 VanDerWaalsContact C-N 3.31Å; E1617-L1619 PolarHBondContact O-N 2.69Å; L1619-L1623 WeakPolarHBondContact O-CB 3.36Å; L1619-L1623 PolarHBondContact O-N 3.09Å |
| 1620 | Q | 73.4 | Confident | 72.9 | Confident | 108 Ų | 108 | 114 Ų | 114 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 172.6 | -82.8 | -149.3 | -7.6 | 0 | 0 | 111.7 | Y1616 E1617 L1623 G1624 | Y1616-Q1620 HydrophobicContact CD1-CG 4.21Å; Y1616-Q1620 HydrophobicContact CE1-CG 3.76Å; Y1616-Q1620 VanDerWaalsContact CE1-NE2 3.29Å; Y1616-Q1620 VanDerWaalsContact CZ-NE2 3.33Å; Y1616-Q1620 WeakPolarHBondContact O-CB 3.16Å; Y1616-Q1620 WeakPolarHBondContact O-CG 2.97Å; Y1616-Q1620 PolarHBondContact O-N 3.22Å; Y1616-Q1620 PolarHBondContact OH-NE2 3.19Å; E1617-Q1620 CarbonylContact O-C 3.57Å; E1617-Q1620 PolarHBondContact O-N 3.27Å; E1617-Q1620 VanDerWaalsContact O-N 3.16Å; Q1620-L1623 CarbonylContact O-C 3.53Å; Q1620-L1623 PolarHBondContact O-N 2.88Å; Q1620-G1624 PolarHBondContact O-N 3.39Å |
| 1621 | T | 74.9 | Confident | 72.7 | Confident | 74 Ų | 74 | 115.8 Ų | 115.8 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.3 | -47.8 | 176.9 | -45.1 | 0 | 0 | 0 | 0 | 109.6 | E1617 D1618 L1623 G1624 D1625 | E1617-T1621 WeakPolarHBondContact O-CB 3.36Å; E1617-T1621 PolarHBondContact O-N 2.64Å; E1617-T1621 PolarHBondContact O-OG1 3.49Å; D1618-T1621 PolarHBondContact O-N 3.23Å; T1621-L1623 VanDerWaalsContact C-N 3.32Å; T1621-L1623 PolarHBondContact O-N 3.26Å; T1621-G1624 CarbonylContact O-C 3.54Å; T1621-G1624 WeakPolarHBondContact O-CA 3.16Å; T1621-G1624 PolarHBondContact O-N 3.38Å; T1621-G1624 VanDerWaalsContact O-N 3.13Å; T1621-D1625 WeakPolarHBondContact O-CB 3.49Å; T1621-D1625 PolarHBondContact O-N 2.68Å |
| 1622 | K | 75.1 | Confident | 72.7 | Confident | 121 Ų | 121 | 114.2 Ų | 114.2 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 171 | -76.6 | 176.3 | -178 | 171.1 | 0 | 112.5 | D1618 D1625 I1626 | D1618-K1622 VanDerWaalsContact O-CB 3.32Å; D1618-K1622 WeakPolarHBondContact O-CB 3.35Å; D1618-K1622 VanDerWaalsContact O-CG 3.31Å; D1618-K1622 WeakPolarHBondContact O-CG 2.98Å; D1618-K1622 PolarHBondContact O-N 3.4Å; K1622-D1625 PolarHBondContact O-N 3.23Å; K1622-I1626 WeakPolarHBondContact O-CB 2.99Å; K1622-I1626 WeakPolarHBondContact O-CD1 3.26Å; K1622-I1626 WeakPolarHBondContact O-CG1 3.36Å; K1622-I1626 PolarHBondContact O-N 2.66Å |
| 1623 | L | 76.7 | Confident | 72.9 | Confident | 83 Ų | 83 | 112 Ų | 112 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.2 | -34.1 | 176.9 | -166.4 | 146.6 | 0 | 0 | 0 | 111.3 | L1619 Q1620 T1621 R1627 | L1619-L1623 WeakPolarHBondContact O-CB 3.36Å; L1619-L1623 PolarHBondContact O-N 3.09Å; Q1620-L1623 CarbonylContact O-C 3.53Å; Q1620-L1623 PolarHBondContact O-N 2.88Å; T1621-L1623 VanDerWaalsContact C-N 3.32Å; T1621-L1623 PolarHBondContact O-N 3.26Å; L1623-R1627 HydrophobicContact CD2-CG 4.17Å; L1623-R1627 VanDerWaalsContact CD2-CZ 3.42Å; L1623-R1627 VanDerWaalsContact O-CB 3.28Å; L1623-R1627 WeakPolarHBondContact O-CB 2.96Å; L1623-R1627 VanDerWaalsContact O-CG 3.23Å; L1623-R1627 WeakPolarHBondContact O-CG 3.35Å; L1623-R1627 PolarHBondContact O-N 3.24Å |
| 1624 | G | 70.5 | Confident | 72.2 | Confident | 19 Ų | 19 | 113.7 Ų | 113.7 | 20% | 0.196 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1620 T1621 R1627 R1628 | Q1620-G1624 PolarHBondContact O-N 3.39Å; T1621-G1624 CarbonylContact O-C 3.54Å; T1621-G1624 WeakPolarHBondContact O-CA 3.16Å; T1621-G1624 PolarHBondContact O-N 3.38Å; T1621-G1624 VanDerWaalsContact O-N 3.13Å; G1624-R1627 PolarHBondContact O-N 2.87Å; G1624-R1628 VanDerWaalsContact O-CB 3.29Å; G1624-R1628 WeakPolarHBondContact O-CB 3.5Å; G1624-R1628 VanDerWaalsContact O-CG 3.25Å; G1624-R1628 WeakPolarHBondContact O-CG 3.47Å; G1624-R1628 PolarHBondContact O-N 3.21Å; G1624-R1628 PolarHBondContact O-NE 3.42Å |
| 1625 | D | 73.5 | Confident | 72 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 43% | 0.428 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 177.1 | -63.8 | -18.2 | 0 | 0 | 0 | 111.6 | T1621 K1622 R1628 F1629 | T1621-D1625 WeakPolarHBondContact O-CB 3.49Å; T1621-D1625 PolarHBondContact O-N 2.68Å; K1622-D1625 PolarHBondContact O-N 3.23Å; D1625-R1628 CarbonylContact O-C 3.59Å; D1625-R1628 PolarHBondContact O-N 3.41Å; D1625-R1628 IonicContact OD1-CZ 3.72Å; D1625-R1628 IonicContact OD1-NE 3.48Å; D1625-R1628 IonicContact OD1-NH2 3.7Å; D1625-R1628 PolarHBondContact OD1-NH2 3.5Å; D1625-F1629 WeakPolarHBondContact O-CA 3.13Å; D1625-F1629 VanDerWaalsContact O-CB 3.27Å; D1625-F1629 WeakPolarHBondContact O-CB 3.26Å; D1625-F1629 PolarHBondContact O-N 2.77Å |
| 1626 | I | 69 | Low | 71.7 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.9 | -38.6 | 172.2 | -68.4 | 163.1 | 0 | 0 | 0 | 111 | K1622 F1629 | K1622-I1626 WeakPolarHBondContact O-CB 2.99Å; K1622-I1626 WeakPolarHBondContact O-CD1 3.26Å; K1622-I1626 WeakPolarHBondContact O-CG1 3.36Å; K1622-I1626 PolarHBondContact O-N 2.66Å; I1626-F1629 VanDerWaalsContact O-CB 3.22Å; I1626-F1629 WeakPolarHBondContact O-CB 3.31Å; I1626-F1629 PolarHBondContact O-N 3.07Å |
| 1627 | R | 67.3 | Low | 71.1 | Confident | 209 Ų | 209 | 108.9 Ų | 108.9 | 79% | 0.789 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.1 | -36.3 | 174.2 | -78.8 | 179 | 179.1 | 175.8 | 5.1 | 111.9 | L1623 G1624 F1629 | L1623-R1627 HydrophobicContact CD2-CG 4.17Å; L1623-R1627 VanDerWaalsContact CD2-CZ 3.42Å; L1623-R1627 VanDerWaalsContact O-CB 3.28Å; L1623-R1627 WeakPolarHBondContact O-CB 2.96Å; L1623-R1627 VanDerWaalsContact O-CG 3.23Å; L1623-R1627 WeakPolarHBondContact O-CG 3.35Å; L1623-R1627 PolarHBondContact O-N 3.24Å; G1624-R1627 PolarHBondContact O-N 2.87Å; R1627-F1629 VanDerWaalsContact C-N 3.27Å |
| 1628 | R | 74.9 | Confident | 70.9 | Confident | 177 Ų | 177 | 109.8 Ų | 109.8 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.8 | -15.7 | 171.8 | -73.3 | -176.6 | -76.8 | -126.6 | 4.3 | 112.5 | G1624 D1625 K1630 | G1624-R1628 VanDerWaalsContact O-CB 3.29Å; G1624-R1628 WeakPolarHBondContact O-CB 3.5Å; G1624-R1628 VanDerWaalsContact O-CG 3.25Å; G1624-R1628 WeakPolarHBondContact O-CG 3.47Å; G1624-R1628 PolarHBondContact O-N 3.21Å; G1624-R1628 PolarHBondContact O-NE 3.42Å; D1625-R1628 CarbonylContact O-C 3.59Å; D1625-R1628 PolarHBondContact O-N 3.41Å; D1625-R1628 IonicContact OD1-CZ 3.72Å; D1625-R1628 IonicContact OD1-NE 3.48Å; D1625-R1628 IonicContact OD1-NH2 3.7Å; D1625-R1628 PolarHBondContact OD1-NH2 3.5Å; R1628-K1630 VanDerWaalsContact C-N 3.31Å; R1628-K1630 PolarHBondContact O-N 2.64Å |
| 1629 | F | 68 | Low | 70.7 | Confident | 121 Ų | 121 | 111 Ų | 111 | 53% | 0.531 | 52% | 0.524 | S | S | . | . | trans | -69.5 | 89.5 | 178.7 | -163.6 | -100 | 0 | 0 | 0 | 109.6 | D1625 I1626 R1627 I1631 I1635 | D1625-F1629 WeakPolarHBondContact O-CA 3.13Å; D1625-F1629 VanDerWaalsContact O-CB 3.27Å; D1625-F1629 WeakPolarHBondContact O-CB 3.26Å; D1625-F1629 PolarHBondContact O-N 2.77Å; I1626-F1629 VanDerWaalsContact O-CB 3.22Å; I1626-F1629 WeakPolarHBondContact O-CB 3.31Å; I1626-F1629 PolarHBondContact O-N 3.07Å; R1627-F1629 VanDerWaalsContact C-N 3.27Å; F1629-I1631 PolarHBondContact O-N 3.4Å; F1629-I1631 VanDerWaalsContact O-N 3.12Å; F1629-I1635 HydrophobicContact CE1-CD1 3.5Å; F1629-I1635 VanDerWaalsContact CE1-CD1 3.5Å; F1629-I1635 HydrophobicContact CZ-CD1 3.38Å | ||
| 1630 | K | 61.5 | Low | 70.1 | Confident | 182 Ų | 182 | 112.9 Ų | 112.9 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | trans | -66.2 | 111 | 176 | -161.5 | 176.6 | -174.4 | 179 | 0 | 107.7 | R1628 T1632 | R1628-K1630 VanDerWaalsContact C-N 3.31Å; R1628-K1630 PolarHBondContact O-N 2.64Å; K1630-T1632 PolarHBondContact O-N 3.44Å | ||
| 1631 | I | 62.4 | Low | 69.4 | Low | 91 Ų | 91 | 109.5 Ų | 109.5 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | trans | -60.4 | 100.2 | 175.4 | -59.9 | 173.1 | 0 | 0 | 0 | 108 | F1629 I1635 R1636 | F1629-I1631 PolarHBondContact O-N 3.4Å; F1629-I1631 VanDerWaalsContact O-N 3.12Å; I1631-I1635 HydrophobicContact CG2-CB 4.46Å; I1631-I1635 HydrophobicContact CG2-CG2 4.33Å; I1631-R1636 HydrophobicContact CG2-CB 4.14Å | ||
| 1632 | T | 69 | Low | 69.1 | Low | 62 Ų | 62 | 113.9 Ų | 113.9 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | trans | -68 | 158.1 | 177 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | K1630 E1634 I1635 R1636 | K1630-T1632 PolarHBondContact O-N 3.44Å; T1632-E1634 PolarHBondContact O-N 2.96Å; T1632-I1635 PolarHBondContact O-N 3.48Å; T1632-I1635 WeakPolarHBondContact OG1-CD1 3.09Å; T1632-I1635 WeakPolarHBondContact OG1-CG1 3.46Å; T1632-R1636 PolarHBondContact O-N 2.8Å | ||
| 1633 | S | 74.1 | Confident | 68.8 | Low | 82 Ų | 82 | 114 Ų | 114 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.4 | -29.2 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | K1637 | S1633-K1637 WeakPolarHBondContact O-CG 3.14Å; S1633-K1637 PolarHBondContact O-N 2.91Å |
| 1634 | E | 58.9 | Low | 68.4 | Low | 129 Ų | 129 | 112.6 Ų | 112.6 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69 | -45.2 | 176.2 | -72.4 | 162.8 | 176.8 | 0 | 0 | 112.3 | T1632 R1636 K1637 Y1638 | T1632-E1634 PolarHBondContact O-N 2.96Å; E1634-R1636 VanDerWaalsContact C-N 3.32Å; E1634-R1636 PolarHBondContact O-N 3.24Å; E1634-K1637 WeakPolarHBondContact O-CB 3.15Å; E1634-K1637 PolarHBondContact O-N 3.28Å; E1634-Y1638 PolarHBondContact O-N 2.71Å |
| 1635 | I | 71.6 | Confident | 68.6 | Low | 53 Ų | 53 | 117.3 Ų | 117.3 | 27% | 0.272 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -36.1 | 176.2 | -63.1 | 172.7 | 0 | 0 | 0 | 110.5 | F1629 I1631 T1632 K1637 Y1638 L1639 | F1629-I1635 HydrophobicContact CE1-CD1 3.5Å; F1629-I1635 VanDerWaalsContact CE1-CD1 3.5Å; F1629-I1635 HydrophobicContact CZ-CD1 3.38Å; I1631-I1635 HydrophobicContact CG2-CB 4.46Å; I1631-I1635 HydrophobicContact CG2-CG2 4.33Å; T1632-I1635 PolarHBondContact O-N 3.48Å; T1632-I1635 WeakPolarHBondContact OG1-CD1 3.09Å; T1632-I1635 WeakPolarHBondContact OG1-CG1 3.46Å; I1635-K1637 VanDerWaalsContact C-N 3.34Å; I1635-K1637 PolarHBondContact O-N 2.7Å; I1635-Y1638 WeakPolarHBondContact O-CB 3.47Å; I1635-Y1638 PolarHBondContact O-N 3.11Å; I1635-L1639 HydrophobicContact CG2-CD1 3.89Å; I1635-L1639 WeakPolarHBondContact O-CB 3.36Å; I1635-L1639 WeakPolarHBondContact O-CD1 3.49Å; I1635-L1639 WeakPolarHBondContact O-CG 3.49Å; I1635-L1639 PolarHBondContact O-N 2.75Å |
| 1636 | R | 69 | Low | 68.6 | Low | 140 Ų | 140 | 116.8 Ų | 116.8 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -38.6 | 172.7 | -168.5 | 179.5 | -62.9 | 168.4 | 2 | 112.3 | I1631 T1632 E1634 Q1640 | I1631-R1636 HydrophobicContact CG2-CB 4.14Å; T1632-R1636 PolarHBondContact O-N 2.8Å; E1634-R1636 VanDerWaalsContact C-N 3.32Å; E1634-R1636 PolarHBondContact O-N 3.24Å; R1636-Q1640 WeakPolarHBondContact O-CB 2.97Å; R1636-Q1640 WeakPolarHBondContact O-CG 3.28Å; R1636-Q1640 PolarHBondContact O-N 3.06Å; R1636-Q1640 VanDerWaalsContact O-N 3.16Å |
| 1637 | K | 67.6 | Low | 68.8 | Low | 100 Ų | 100 | 114 Ų | 114 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 174.1 | -77 | 175.2 | 179.6 | -179.3 | 0 | 111.5 | S1633 E1634 I1635 L1639 Q1640 S1641 Y1644 | S1633-K1637 WeakPolarHBondContact O-CG 3.14Å; S1633-K1637 PolarHBondContact O-N 2.91Å; E1634-K1637 WeakPolarHBondContact O-CB 3.15Å; E1634-K1637 PolarHBondContact O-N 3.28Å; I1635-K1637 VanDerWaalsContact C-N 3.34Å; I1635-K1637 PolarHBondContact O-N 2.7Å; K1637-L1639 VanDerWaalsContact C-N 3.29Å; K1637-L1639 PolarHBondContact O-N 2.96Å; K1637-Q1640 PolarHBondContact O-N 3.24Å; K1637-S1641 PolarHBondContact O-N 2.95Å; K1637-S1641 PolarHBondContact O-OG 2.91Å; K1637-S1641 VanDerWaalsContact O-OG 3.05Å; K1637-Y1644 HydrophobicContact CB-CE2 4.45Å |
| 1638 | Y | 70.6 | Confident | 69.2 | Low | 141 Ų | 141 | 106.3 Ų | 106.3 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.6 | -43.9 | 173.5 | -175.4 | -96.4 | 0 | 0 | 0 | 112.5 | E1634 I1635 Y1644 | E1634-Y1638 PolarHBondContact O-N 2.71Å; I1635-Y1638 WeakPolarHBondContact O-CB 3.47Å; I1635-Y1638 PolarHBondContact O-N 3.11Å; Y1638-Y1644 VanDerWaalsContact CA-CD2 3.42Å; Y1638-Y1644 AromaticContact CD2-CD1 3.27Å; Y1638-Y1644 HydrophobicContact CD2-CD1 3.27Å; Y1638-Y1644 AromaticContact CD2-CD2 3.91Å; Y1638-Y1644 HydrophobicContact CD2-CD2 3.91Å; Y1638-Y1644 AromaticContact CD2-CE1 3.47Å; Y1638-Y1644 HydrophobicContact CD2-CE1 3.47Å; Y1638-Y1644 VanDerWaalsContact CD2-CE1 3.47Å; Y1638-Y1644 HydrophobicContact CD2-CE2 4.12Å; Y1638-Y1644 AromaticContact CD2-CG 3.46Å; Y1638-Y1644 HydrophobicContact CD2-CG 3.46Å; Y1638-Y1644 VanDerWaalsContact CD2-CG 3.46Å; Y1638-Y1644 AromaticContact CD2-CZ 3.91Å; Y1638-Y1644 AromaticContact CE2-CD1 3.69Å; Y1638-Y1644 HydrophobicContact CE2-CD1 3.69Å; Y1638-Y1644 HydrophobicContact CE2-CE1 4.13Å; Y1638-Y1644 HydrophobicContact CE2-CG 4.09Å; Y1638-Y1644 HydrophobicContact CG-CD1 4.43Å; Y1638-Y1644 HydrophobicContact CG-CD2 4.42Å; Y1638-Y1644 HydrophobicContact CG-CE1 4.48Å; Y1638-Y1644 HydrophobicContact CG-CG 4.35Å |
| 1639 | L | 75 | Confident | 69.2 | Low | 125 Ų | 125 | 102.4 Ų | 102.4 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -77 | -21.7 | -179.1 | -71 | 162.7 | 0 | 0 | 0 | 114.3 | I1635 K1637 | I1635-L1639 HydrophobicContact CG2-CD1 3.89Å; I1635-L1639 WeakPolarHBondContact O-CB 3.36Å; I1635-L1639 WeakPolarHBondContact O-CD1 3.49Å; I1635-L1639 WeakPolarHBondContact O-CG 3.49Å; I1635-L1639 PolarHBondContact O-N 2.75Å; K1637-L1639 VanDerWaalsContact C-N 3.29Å; K1637-L1639 PolarHBondContact O-N 2.96Å |
| 1640 | Q | 69.7 | Low | 69.6 | Low | 151 Ų | 151 | 100.1 Ų | 100.1 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -93 | -26.9 | -176.3 | -82.2 | -176.2 | -18.1 | 0 | 0 | 114.3 | R1636 K1637 | R1636-Q1640 WeakPolarHBondContact O-CB 2.97Å; R1636-Q1640 WeakPolarHBondContact O-CG 3.28Å; R1636-Q1640 PolarHBondContact O-N 3.06Å; R1636-Q1640 VanDerWaalsContact O-N 3.16Å; K1637-Q1640 PolarHBondContact O-N 3.24Å |
| 1641 | S | 57.8 | Low | 70.3 | Confident | 36 Ų | 36 | 95.4 Ų | 95.4 | 25% | 0.252 | 49% | 0.487 | S | S | . | . | trans | -106.6 | 122.3 | -177.1 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | K1637 D1643 | K1637-S1641 PolarHBondContact O-N 2.95Å; K1637-S1641 PolarHBondContact O-OG 2.91Å; K1637-S1641 VanDerWaalsContact O-OG 3.05Å; S1641-D1643 VanDerWaalsContact C-N 3.25Å; S1641-D1643 PolarHBondContact O-N 2.68Å | ||
| 1642 | N | 70 | Confident | 70.9 | Confident | 167 Ų | 167 | 94.4 Ų | 94.4 | 89% | 0.893 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.7 | -179.4 | -68.9 | -6.1 | 0 | 0 | 0 | 113.7 | ||
| 1643 | D | 68.6 | Low | 71.2 | Confident | 124 Ų | 124 | 94 Ų | 94 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | 67 | 179.9 | -71.2 | -27.7 | 0 | 0 | 0 | 111.5 | S1641 D1645 S1646 L1647 | S1641-D1643 VanDerWaalsContact C-N 3.25Å; S1641-D1643 PolarHBondContact O-N 2.68Å; D1643-D1645 VanDerWaalsContact C-N 3.31Å; D1643-D1645 PolarHBondContact O-N 2.89Å; D1643-S1646 PolarHBondContact O-N 2.83Å; D1643-S1646 PolarHBondContact O-OG 3.46Å; D1643-L1647 PolarHBondContact O-N 2.63Å |
| 1644 | Y | 68.4 | Low | 71.4 | Confident | 52 Ų | 52 | 94 Ų | 94 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | -179.5 | -175.5 | -106.4 | 0 | 0 | 0 | 113.2 | K1637 Y1638 S1646 L1647 I1648 | K1637-Y1644 HydrophobicContact CB-CE2 4.45Å; Y1638-Y1644 VanDerWaalsContact CA-CD2 3.42Å; Y1638-Y1644 AromaticContact CD2-CD1 3.27Å; Y1638-Y1644 HydrophobicContact CD2-CD1 3.27Å; Y1638-Y1644 AromaticContact CD2-CD2 3.91Å; Y1638-Y1644 HydrophobicContact CD2-CD2 3.91Å; Y1638-Y1644 AromaticContact CD2-CE1 3.47Å; Y1638-Y1644 HydrophobicContact CD2-CE1 3.47Å; Y1638-Y1644 VanDerWaalsContact CD2-CE1 3.47Å; Y1638-Y1644 HydrophobicContact CD2-CE2 4.12Å; Y1638-Y1644 AromaticContact CD2-CG 3.46Å; Y1638-Y1644 HydrophobicContact CD2-CG 3.46Å; Y1638-Y1644 VanDerWaalsContact CD2-CG 3.46Å; Y1638-Y1644 AromaticContact CD2-CZ 3.91Å; Y1638-Y1644 AromaticContact CE2-CD1 3.69Å; Y1638-Y1644 HydrophobicContact CE2-CD1 3.69Å; Y1638-Y1644 HydrophobicContact CE2-CE1 4.13Å; Y1638-Y1644 HydrophobicContact CE2-CG 4.09Å; Y1638-Y1644 HydrophobicContact CG-CD1 4.43Å; Y1638-Y1644 HydrophobicContact CG-CD2 4.42Å; Y1638-Y1644 HydrophobicContact CG-CE1 4.48Å; Y1638-Y1644 HydrophobicContact CG-CG 4.35Å; Y1644-S1646 VanDerWaalsContact C-N 3.31Å; Y1644-S1646 PolarHBondContact O-N 3.33Å; Y1644-L1647 CarbonylContact O-C 3.57Å; Y1644-L1647 WeakPolarHBondContact O-CB 3.24Å; Y1644-L1647 PolarHBondContact O-N 3.49Å; Y1644-L1647 VanDerWaalsContact O-N 3.1Å; Y1644-I1648 HydrophobicContact CD1-CD1 3.27Å; Y1644-I1648 HydrophobicContact CD1-CG1 3.74Å; Y1644-I1648 HydrophobicContact CE1-CD1 3Å; Y1644-I1648 HydrophobicContact CE1-CG1 3.49Å; Y1644-I1648 VanDerWaalsContact CE1-CG1 3.49Å; Y1644-I1648 HydrophobicContact CE2-CG1 4.39Å; Y1644-I1648 HydrophobicContact CG-CD1 4.3Å; Y1644-I1648 HydrophobicContact CG-CG1 4.34Å; Y1644-I1648 WeakPolarHBondContact O-CG1 3.2Å; Y1644-I1648 PolarHBondContact O-N 3.22Å |
| 1645 | D | 74.1 | Confident | 72.3 | Confident | 118 Ų | 118 | 91.1 Ų | 91.1 | 63% | 0.631 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.6 | -33.3 | -179.9 | -66.9 | -21.2 | 0 | 0 | 0 | 112.6 | D1643 N1649 | D1643-D1645 VanDerWaalsContact C-N 3.31Å; D1643-D1645 PolarHBondContact O-N 2.89Å; D1645-N1649 WeakPolarHBondContact O-CB 3.35Å; D1645-N1649 VanDerWaalsContact O-CG 3.23Å; D1645-N1649 PolarHBondContact O-N 3.16Å; D1645-N1649 PolarHBondContact O-ND2 2.81Å |
| 1646 | S | 73.6 | Confident | 72.6 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.4 | -34.6 | 174.4 | 89.9 | 0 | 0 | 0 | 0 | 111.7 | D1643 Y1644 N1649 T1650 | D1643-S1646 PolarHBondContact O-N 2.83Å; D1643-S1646 PolarHBondContact O-OG 3.46Å; Y1644-S1646 VanDerWaalsContact C-N 3.31Å; Y1644-S1646 PolarHBondContact O-N 3.33Å; S1646-N1649 PolarHBondContact O-N 2.97Å; S1646-T1650 WeakPolarHBondContact O-CB 3.1Å; S1646-T1650 WeakPolarHBondContact O-CG2 3.21Å; S1646-T1650 PolarHBondContact O-N 2.94Å; S1646-T1650 PolarHBondContact O-OG1 3.43Å |
| 1647 | L | 73.1 | Confident | 73 | Confident | 65 Ų | 65 | 94.4 Ų | 94.4 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 173.7 | -165.9 | 93.3 | 0 | 0 | 0 | 110.5 | D1643 Y1644 T1650 Q1651 | D1643-L1647 PolarHBondContact O-N 2.63Å; Y1644-L1647 CarbonylContact O-C 3.57Å; Y1644-L1647 WeakPolarHBondContact O-CB 3.24Å; Y1644-L1647 PolarHBondContact O-N 3.49Å; Y1644-L1647 VanDerWaalsContact O-N 3.1Å; L1647-T1650 WeakPolarHBondContact CA-OG1 3.2Å; L1647-T1650 PolarHBondContact O-N 2.78Å; L1647-T1650 PolarHBondContact O-OG1 2.86Å; L1647-Q1651 WeakPolarHBondContact O-CB 3.24Å; L1647-Q1651 WeakPolarHBondContact O-CG 3.25Å; L1647-Q1651 PolarHBondContact O-N 2.78Å |
| 1648 | I | 75.3 | Confident | 73.3 | Confident | 47 Ų | 47 | 93 Ų | 93 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 172.2 | -66.4 | 170.4 | 0 | 0 | 0 | 109.2 | Y1644 T1650 Q1651 I1652 | Y1644-I1648 HydrophobicContact CD1-CD1 3.27Å; Y1644-I1648 HydrophobicContact CD1-CG1 3.74Å; Y1644-I1648 HydrophobicContact CE1-CD1 3Å; Y1644-I1648 HydrophobicContact CE1-CG1 3.49Å; Y1644-I1648 VanDerWaalsContact CE1-CG1 3.49Å; Y1644-I1648 HydrophobicContact CE2-CG1 4.39Å; Y1644-I1648 HydrophobicContact CG-CD1 4.3Å; Y1644-I1648 HydrophobicContact CG-CG1 4.34Å; Y1644-I1648 WeakPolarHBondContact O-CG1 3.2Å; Y1644-I1648 PolarHBondContact O-N 3.22Å; I1648-T1650 VanDerWaalsContact C-N 3.28Å; I1648-T1650 PolarHBondContact O-N 3.3Å; I1648-Q1651 CarbonylContact O-C 3.36Å; I1648-Q1651 WeakPolarHBondContact O-CA 3.47Å; I1648-Q1651 WeakPolarHBondContact O-CB 3.49Å; I1648-Q1651 PolarHBondContact O-N 3.32Å; I1648-I1652 HydrophobicContact CG2-CD1 3.44Å; I1648-I1652 VanDerWaalsContact CG2-CD1 3.44Å; I1648-I1652 HydrophobicContact CG2-CG1 3.71Å; I1648-I1652 WeakPolarHBondContact O-CB 3.46Å; I1648-I1652 WeakPolarHBondContact O-CG1 3.33Å; I1648-I1652 PolarHBondContact O-N 3.16Å |
| 1649 | N | 75.6 | Confident | 73.7 | Confident | 96 Ų | 96 | 90.3 Ų | 90.3 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -34.5 | -177.5 | -75.8 | -26.8 | 0 | 0 | 0 | 112.4 | D1645 S1646 I1652 T1653 | D1645-N1649 WeakPolarHBondContact O-CB 3.35Å; D1645-N1649 VanDerWaalsContact O-CG 3.23Å; D1645-N1649 PolarHBondContact O-N 3.16Å; D1645-N1649 PolarHBondContact O-ND2 2.81Å; S1646-N1649 PolarHBondContact O-N 2.97Å; N1649-I1652 PolarHBondContact O-N 3.29Å; N1649-T1653 WeakPolarHBondContact O-CB 3.31Å; N1649-T1653 WeakPolarHBondContact O-CG2 2.96Å; N1649-T1653 PolarHBondContact O-N 3.17Å; N1649-T1653 PolarHBondContact O-OG1 3.04Å |
| 1650 | T | 76.8 | Confident | 73.8 | Confident | 72 Ų | 72 | 90.2 Ų | 90.2 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71 | -33.6 | 170.9 | 49 | 0 | 0 | 0 | 0 | 112.3 | S1646 L1647 I1648 T1653 N1654 | S1646-T1650 WeakPolarHBondContact O-CB 3.1Å; S1646-T1650 WeakPolarHBondContact O-CG2 3.21Å; S1646-T1650 PolarHBondContact O-N 2.94Å; S1646-T1650 PolarHBondContact O-OG1 3.43Å; L1647-T1650 WeakPolarHBondContact CA-OG1 3.2Å; L1647-T1650 PolarHBondContact O-N 2.78Å; L1647-T1650 PolarHBondContact O-OG1 2.86Å; I1648-T1650 VanDerWaalsContact C-N 3.28Å; I1648-T1650 PolarHBondContact O-N 3.3Å; T1650-T1653 WeakPolarHBondContact CA-OG1 3.33Å; T1650-T1653 PolarHBondContact O-OG1 3.46Å; T1650-N1654 WeakPolarHBondContact O-CB 3.4Å; T1650-N1654 PolarHBondContact O-N 2.62Å; T1650-N1654 PolarHBondContact O-ND2 2.88Å |
| 1651 | Q | 75.6 | Confident | 74.1 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 169.4 | -79.5 | -175.5 | -67.7 | 0 | 0 | 112.5 | L1647 I1648 N1654 T1655 | L1647-Q1651 WeakPolarHBondContact O-CB 3.24Å; L1647-Q1651 WeakPolarHBondContact O-CG 3.25Å; L1647-Q1651 PolarHBondContact O-N 2.78Å; I1648-Q1651 CarbonylContact O-C 3.36Å; I1648-Q1651 WeakPolarHBondContact O-CA 3.47Å; I1648-Q1651 WeakPolarHBondContact O-CB 3.49Å; I1648-Q1651 PolarHBondContact O-N 3.32Å; Q1651-N1654 PolarHBondContact O-N 3.27Å; Q1651-T1655 WeakPolarHBondContact O-CA 3.47Å; Q1651-T1655 WeakPolarHBondContact O-CB 3.24Å; Q1651-T1655 WeakPolarHBondContact O-CG2 3.43Å; Q1651-T1655 PolarHBondContact O-N 3.3Å; Q1651-T1655 PolarHBondContact O-OG1 2.81Å |
| 1652 | I | 74.2 | Confident | 75 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -51.9 | 175.3 | -70.3 | 176.2 | 0 | 0 | 0 | 107.9 | I1648 N1649 N1654 T1655 E1656 | I1648-I1652 HydrophobicContact CG2-CD1 3.44Å; I1648-I1652 VanDerWaalsContact CG2-CD1 3.44Å; I1648-I1652 HydrophobicContact CG2-CG1 3.71Å; I1648-I1652 WeakPolarHBondContact O-CB 3.46Å; I1648-I1652 WeakPolarHBondContact O-CG1 3.33Å; I1648-I1652 PolarHBondContact O-N 3.16Å; N1649-I1652 PolarHBondContact O-N 3.29Å; I1652-N1654 VanDerWaalsContact C-N 3.32Å; I1652-N1654 PolarHBondContact O-N 3.35Å; I1652-T1655 WeakPolarHBondContact CA-OG1 3.29Å; I1652-T1655 CarbonylContact O-C 3.52Å; I1652-T1655 PolarHBondContact O-N 2.71Å; I1652-T1655 PolarHBondContact O-OG1 3.32Å; I1652-E1656 HydrophobicContact CG2-CG 4.18Å; I1652-E1656 VanDerWaalsContact O-CB 3.32Å; I1652-E1656 WeakPolarHBondContact O-CB 3.44Å; I1652-E1656 VanDerWaalsContact O-CG 3.29Å; I1652-E1656 WeakPolarHBondContact O-CG 3.47Å; I1652-E1656 PolarHBondContact O-N 2.89Å |
| 1653 | T | 76.7 | Confident | 75.4 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.5 | -34.9 | 177.3 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | N1649 T1650 R1657 | N1649-T1653 WeakPolarHBondContact O-CB 3.31Å; N1649-T1653 WeakPolarHBondContact O-CG2 2.96Å; N1649-T1653 PolarHBondContact O-N 3.17Å; N1649-T1653 PolarHBondContact O-OG1 3.04Å; T1650-T1653 WeakPolarHBondContact CA-OG1 3.33Å; T1650-T1653 PolarHBondContact O-OG1 3.46Å; T1653-R1657 WeakPolarHBondContact O-CB 3.4Å; T1653-R1657 WeakPolarHBondContact O-CG 3.32Å; T1653-R1657 PolarHBondContact O-N 2.84Å |
| 1654 | N | 77.1 | Confident | 76 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 171.4 | -74.8 | -18.5 | 0 | 0 | 0 | 111.8 | T1650 Q1651 I1652 R1657 T1658 | T1650-N1654 WeakPolarHBondContact O-CB 3.4Å; T1650-N1654 PolarHBondContact O-N 2.62Å; T1650-N1654 PolarHBondContact O-ND2 2.88Å; Q1651-N1654 PolarHBondContact O-N 3.27Å; I1652-N1654 VanDerWaalsContact C-N 3.32Å; I1652-N1654 PolarHBondContact O-N 3.35Å; N1654-R1657 PolarHBondContact O-N 3.31Å; N1654-R1657 PolarHBondContact OD1-NH1 3.46Å; N1654-T1658 WeakPolarHBondContact O-CG2 3.16Å; N1654-T1658 PolarHBondContact O-N 2.93Å; N1654-T1658 PolarHBondContact O-OG1 3.21Å |
| 1655 | T | 77.8 | Confident | 76.5 | Confident | 68 Ų | 68 | 88.7 Ų | 88.7 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.5 | -41.2 | 178.2 | 47.5 | 0 | 0 | 0 | 0 | 111 | Q1651 I1652 T1658 I1659 | Q1651-T1655 WeakPolarHBondContact O-CA 3.47Å; Q1651-T1655 WeakPolarHBondContact O-CB 3.24Å; Q1651-T1655 WeakPolarHBondContact O-CG2 3.43Å; Q1651-T1655 PolarHBondContact O-N 3.3Å; Q1651-T1655 PolarHBondContact O-OG1 2.81Å; I1652-T1655 WeakPolarHBondContact CA-OG1 3.29Å; I1652-T1655 CarbonylContact O-C 3.52Å; I1652-T1655 PolarHBondContact O-N 2.71Å; I1652-T1655 PolarHBondContact O-OG1 3.32Å; T1655-T1658 WeakPolarHBondContact CA-OG1 3.33Å; T1655-T1658 CarbonylContact O-C 3.42Å; T1655-T1658 PolarHBondContact O-N 3.25Å; T1655-T1658 VanDerWaalsContact O-N 3.11Å; T1655-T1658 PolarHBondContact O-OG1 2.94Å; T1655-I1659 WeakPolarHBondContact O-CB 3.13Å; T1655-I1659 WeakPolarHBondContact O-CG1 3.32Å; T1655-I1659 PolarHBondContact O-N 3.49Å |
| 1656 | E | 78.7 | Confident | 76.6 | Confident | 109 Ų | 109 | 88.2 Ų | 88.2 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 168.8 | -75.1 | 175.7 | 165.3 | 0 | 0 | 111.1 | I1652 T1658 I1659 Q1660 | I1652-E1656 HydrophobicContact CG2-CG 4.18Å; I1652-E1656 VanDerWaalsContact O-CB 3.32Å; I1652-E1656 WeakPolarHBondContact O-CB 3.44Å; I1652-E1656 VanDerWaalsContact O-CG 3.29Å; I1652-E1656 WeakPolarHBondContact O-CG 3.47Å; I1652-E1656 PolarHBondContact O-N 2.89Å; E1656-T1658 VanDerWaalsContact C-N 3.35Å; E1656-T1658 PolarHBondContact O-N 3.43Å; E1656-I1659 PolarHBondContact O-N 3.45Å; E1656-Q1660 WeakPolarHBondContact O-CB 3.44Å; E1656-Q1660 PolarHBondContact O-N 3.17Å |
| 1657 | R | 77.6 | Confident | 76.8 | Confident | 153 Ų | 153 | 91.4 Ų | 91.4 | 58% | 0.577 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 172.1 | -78.4 | -170.8 | -136.6 | 121.3 | 7.4 | 112 | T1653 N1654 M1661 | T1653-R1657 WeakPolarHBondContact O-CB 3.4Å; T1653-R1657 WeakPolarHBondContact O-CG 3.32Å; T1653-R1657 PolarHBondContact O-N 2.84Å; N1654-R1657 PolarHBondContact O-N 3.31Å; N1654-R1657 PolarHBondContact OD1-NH1 3.46Å; R1657-M1661 VanDerWaalsContact O-CB 3.24Å; R1657-M1661 WeakPolarHBondContact O-CB 3.29Å; R1657-M1661 PolarHBondContact O-N 2.61Å |
| 1658 | T | 74 | Confident | 77.1 | Confident | 70 Ų | 70 | 94 Ų | 94 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.8 | -29.7 | 174.9 | 55 | 0 | 0 | 0 | 0 | 112.8 | N1654 T1655 E1656 M1661 L1662 | N1654-T1658 WeakPolarHBondContact O-CG2 3.16Å; N1654-T1658 PolarHBondContact O-N 2.93Å; N1654-T1658 PolarHBondContact O-OG1 3.21Å; T1655-T1658 WeakPolarHBondContact CA-OG1 3.33Å; T1655-T1658 CarbonylContact O-C 3.42Å; T1655-T1658 PolarHBondContact O-N 3.25Å; T1655-T1658 VanDerWaalsContact O-N 3.11Å; T1655-T1658 PolarHBondContact O-OG1 2.94Å; E1656-T1658 VanDerWaalsContact C-N 3.35Å; E1656-T1658 PolarHBondContact O-N 3.43Å; T1658-M1661 CarbonylContact O-C 3.55Å; T1658-M1661 PolarHBondContact O-N 2.77Å; T1658-L1662 WeakPolarHBondContact O-CA 3.21Å; T1658-L1662 WeakPolarHBondContact O-CB 3.34Å; T1658-L1662 WeakPolarHBondContact O-CG 3.18Å; T1658-L1662 PolarHBondContact O-N 3.12Å |
| 1659 | I | 77.6 | Confident | 77.2 | Confident | 84 Ų | 84 | 94.7 Ų | 94.7 | 43% | 0.431 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.6 | -44.8 | 175.3 | -73.3 | 163.4 | 0 | 0 | 0 | 108.2 | T1655 E1656 M1661 L1662 Q1663 | T1655-I1659 WeakPolarHBondContact O-CB 3.13Å; T1655-I1659 WeakPolarHBondContact O-CG1 3.32Å; T1655-I1659 PolarHBondContact O-N 3.49Å; E1656-I1659 PolarHBondContact O-N 3.45Å; I1659-M1661 VanDerWaalsContact C-N 3.34Å; I1659-M1661 PolarHBondContact O-N 2.96Å; I1659-L1662 CarbonylContact O-C 3.53Å; I1659-L1662 PolarHBondContact O-N 2.67Å; I1659-Q1663 HydrophobicContact CG2-CG 4.33Å; I1659-Q1663 VanDerWaalsContact O-CB 3.29Å; I1659-Q1663 WeakPolarHBondContact O-CB 3.43Å; I1659-Q1663 VanDerWaalsContact O-CG 3.24Å; I1659-Q1663 WeakPolarHBondContact O-CG 3.18Å; I1659-Q1663 PolarHBondContact O-N 2.62Å |
| 1660 | Q | 77.3 | Confident | 77.1 | Confident | 123 Ų | 123 | 94.3 Ų | 94.3 | 58% | 0.575 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 169.4 | -87.9 | -176.7 | -13.9 | 0 | 0 | 111.1 | E1656 L1662 Q1663 E1664 | E1656-Q1660 WeakPolarHBondContact O-CB 3.44Å; E1656-Q1660 PolarHBondContact O-N 3.17Å; Q1660-L1662 VanDerWaalsContact C-N 3.3Å; Q1660-L1662 PolarHBondContact O-N 3.36Å; Q1660-Q1663 CarbonylContact O-C 3.46Å; Q1660-Q1663 PolarHBondContact O-N 2.65Å; Q1660-E1664 WeakPolarHBondContact O-CB 3.38Å; Q1660-E1664 WeakPolarHBondContact O-CG 3.48Å; Q1660-E1664 PolarHBondContact O-N 3.42Å |
| 1661 | M | 76.8 | Confident | 77.2 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -31.6 | 176.7 | -156.2 | -171.6 | 105.1 | 0 | 0 | 112.1 | R1657 T1658 I1659 N1665 | R1657-M1661 VanDerWaalsContact O-CB 3.24Å; R1657-M1661 WeakPolarHBondContact O-CB 3.29Å; R1657-M1661 PolarHBondContact O-N 2.61Å; T1658-M1661 CarbonylContact O-C 3.55Å; T1658-M1661 PolarHBondContact O-N 2.77Å; I1659-M1661 VanDerWaalsContact C-N 3.34Å; I1659-M1661 PolarHBondContact O-N 2.96Å; M1661-N1665 WeakPolarHBondContact O-CA 3.39Å; M1661-N1665 WeakPolarHBondContact O-CB 3.32Å; M1661-N1665 PolarHBondContact O-N 3.14Å; M1661-N1665 PolarHBondContact O-ND2 2.63Å |
| 1662 | L | 76.1 | Confident | 77.2 | Confident | 110 Ų | 110 | 95.1 Ų | 95.1 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -75.4 | -33.1 | 173.3 | -83.6 | 167.3 | 0 | 0 | 0 | 111.4 | T1658 I1659 Q1660 N1665 H1666 | T1658-L1662 WeakPolarHBondContact O-CA 3.21Å; T1658-L1662 WeakPolarHBondContact O-CB 3.34Å; T1658-L1662 WeakPolarHBondContact O-CG 3.18Å; T1658-L1662 PolarHBondContact O-N 3.12Å; I1659-L1662 CarbonylContact O-C 3.53Å; I1659-L1662 PolarHBondContact O-N 2.67Å; Q1660-L1662 VanDerWaalsContact C-N 3.3Å; Q1660-L1662 PolarHBondContact O-N 3.36Å; L1662-N1665 CarbonylContact O-C 3.57Å; L1662-H1666 WeakPolarHBondContact O-CA 3.32Å; L1662-H1666 WeakPolarHBondContact O-CB 3.42Å; L1662-H1666 PolarHBondContact O-N 3.21Å |
| 1663 | Q | 77.8 | Confident | 77.3 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -46.7 | 172.6 | -78.9 | 174.1 | -16.2 | 0 | 0 | 109.3 | I1659 Q1660 N1665 H1666 E1667 | I1659-Q1663 HydrophobicContact CG2-CG 4.33Å; I1659-Q1663 VanDerWaalsContact O-CB 3.29Å; I1659-Q1663 WeakPolarHBondContact O-CB 3.43Å; I1659-Q1663 VanDerWaalsContact O-CG 3.24Å; I1659-Q1663 WeakPolarHBondContact O-CG 3.18Å; I1659-Q1663 PolarHBondContact O-N 2.62Å; Q1660-Q1663 CarbonylContact O-C 3.46Å; Q1660-Q1663 PolarHBondContact O-N 2.65Å; Q1663-N1665 PolarHBondContact O-N 2.65Å; Q1663-H1666 CarbonylContact O-C 3.6Å; Q1663-H1666 PolarHBondContact O-N 3.3Å; Q1663-E1667 VanDerWaalsContact O-CB 3.31Å; Q1663-E1667 WeakPolarHBondContact O-CB 3.2Å; Q1663-E1667 WeakPolarHBondContact O-CG 3.18Å; Q1663-E1667 PolarHBondContact O-N 3.06Å |
| 1664 | E | 81.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 99.3 Ų | 99.3 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 171.7 | -74.3 | -175.5 | -174.5 | 0 | 0 | 111.6 | Q1660 K1668 | Q1660-E1664 WeakPolarHBondContact O-CB 3.38Å; Q1660-E1664 WeakPolarHBondContact O-CG 3.48Å; Q1660-E1664 PolarHBondContact O-N 3.42Å; E1664-K1668 VanDerWaalsContact O-CB 3.26Å; E1664-K1668 WeakPolarHBondContact O-CB 3.35Å; E1664-K1668 VanDerWaalsContact O-CG 3.22Å; E1664-K1668 WeakPolarHBondContact O-CG 3.13Å; E1664-K1668 PolarHBondContact O-N 3.4Å |
| 1665 | N | 78.8 | Confident | 77.4 | Confident | 65 Ų | 65 | 98 Ų | 98 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 173.4 | -84.7 | -15.3 | 0 | 0 | 0 | 111.1 | M1661 L1662 Q1663 K1668 T1669 | M1661-N1665 WeakPolarHBondContact O-CA 3.39Å; M1661-N1665 WeakPolarHBondContact O-CB 3.32Å; M1661-N1665 PolarHBondContact O-N 3.14Å; M1661-N1665 PolarHBondContact O-ND2 2.63Å; L1662-N1665 CarbonylContact O-C 3.57Å; Q1663-N1665 PolarHBondContact O-N 2.65Å; N1665-K1668 CarbonylContact O-C 3.56Å; N1665-K1668 PolarHBondContact O-N 2.65Å; N1665-T1669 WeakPolarHBondContact O-CA 3.33Å; N1665-T1669 WeakPolarHBondContact O-CB 3.33Å; N1665-T1669 PolarHBondContact O-N 2.6Å; N1665-T1669 PolarHBondContact O-OG1 3.4Å |
| 1666 | H | 76.4 | Confident | 77.3 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.5 | -40 | 177.1 | -179.5 | 80.6 | 0 | 0 | 0 | 109.9 | L1662 Q1663 T1669 M1670 | L1662-H1666 WeakPolarHBondContact O-CA 3.32Å; L1662-H1666 WeakPolarHBondContact O-CB 3.42Å; L1662-H1666 PolarHBondContact O-N 3.21Å; Q1663-H1666 CarbonylContact O-C 3.6Å; Q1663-H1666 PolarHBondContact O-N 3.3Å; H1666-T1669 CarbonylContact O-C 3.52Å; H1666-T1669 PolarHBondContact O-N 3.22Å; H1666-M1670 WeakPolarHBondContact NE2-CG 3.15Å; H1666-M1670 WeakPolarHBondContact O-CA 3.4Å; H1666-M1670 WeakPolarHBondContact O-CB 3.37Å; H1666-M1670 WeakPolarHBondContact O-CG 3.34Å; H1666-M1670 PolarHBondContact O-N 3.19Å |
| 1667 | E | 77.3 | Confident | 77.3 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 170.9 | -78.2 | -176.9 | 174.2 | 0 | 0 | 110.9 | Q1663 A1671 | Q1663-E1667 VanDerWaalsContact O-CB 3.31Å; Q1663-E1667 WeakPolarHBondContact O-CB 3.2Å; Q1663-E1667 WeakPolarHBondContact O-CG 3.18Å; Q1663-E1667 PolarHBondContact O-N 3.06Å; E1667-A1671 WeakPolarHBondContact O-CA 2.98Å; E1667-A1671 WeakPolarHBondContact O-CB 3.1Å; E1667-A1671 PolarHBondContact O-N 3.29Å |
| 1668 | K | 79.7 | Confident | 77.2 | Confident | 120 Ų | 120 | 102.1 Ų | 102.1 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 171.5 | -78.1 | 171.1 | -175.3 | 162.5 | 0 | 112 | E1664 N1665 A1671 Q1672 | E1664-K1668 VanDerWaalsContact O-CB 3.26Å; E1664-K1668 WeakPolarHBondContact O-CB 3.35Å; E1664-K1668 VanDerWaalsContact O-CG 3.22Å; E1664-K1668 WeakPolarHBondContact O-CG 3.13Å; E1664-K1668 PolarHBondContact O-N 3.4Å; N1665-K1668 CarbonylContact O-C 3.56Å; N1665-K1668 PolarHBondContact O-N 2.65Å; K1668-A1671 PolarHBondContact O-N 3.14Å; K1668-Q1672 VanDerWaalsContact O-CB 3.24Å; K1668-Q1672 WeakPolarHBondContact O-CB 3.41Å; K1668-Q1672 WeakPolarHBondContact O-CG 3.35Å; K1668-Q1672 PolarHBondContact O-N 3.05Å |
| 1669 | T | 76.9 | Confident | 77.3 | Confident | 61 Ų | 61 | 104.5 Ų | 104.5 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | N1665 H1666 Q1672 K1673 | N1665-T1669 WeakPolarHBondContact O-CA 3.33Å; N1665-T1669 WeakPolarHBondContact O-CB 3.33Å; N1665-T1669 PolarHBondContact O-N 2.6Å; N1665-T1669 PolarHBondContact O-OG1 3.4Å; H1666-T1669 CarbonylContact O-C 3.52Å; H1666-T1669 PolarHBondContact O-N 3.22Å; T1669-Q1672 CarbonylContact O-C 3.49Å; T1669-Q1672 PolarHBondContact O-N 3.34Å; T1669-K1673 HydrophobicContact CG2-CD 4.48Å; T1669-K1673 HydrophobicContact CG2-CG 4.45Å; T1669-K1673 WeakPolarHBondContact O-CA 3.46Å; T1669-K1673 WeakPolarHBondContact O-CB 3.21Å; T1669-K1673 WeakPolarHBondContact O-CG 3.02Å; T1669-K1673 PolarHBondContact O-N 2.72Å |
| 1670 | M | 75.3 | Confident | 77.3 | Confident | 87 Ų | 87 | 107.1 Ų | 107.1 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 172.2 | -80.3 | -64.3 | -134.4 | 0 | 0 | 109.8 | H1666 Q1672 K1673 L1674 | H1666-M1670 WeakPolarHBondContact NE2-CG 3.15Å; H1666-M1670 WeakPolarHBondContact O-CA 3.4Å; H1666-M1670 WeakPolarHBondContact O-CB 3.37Å; H1666-M1670 WeakPolarHBondContact O-CG 3.34Å; H1666-M1670 PolarHBondContact O-N 3.19Å; M1670-Q1672 VanDerWaalsContact C-N 3.34Å; M1670-K1673 CarbonylContact O-C 3.53Å; M1670-K1673 PolarHBondContact O-N 3.2Å; M1670-L1674 WeakPolarHBondContact O-CA 3.36Å; M1670-L1674 WeakPolarHBondContact O-CB 3.41Å; M1670-L1674 WeakPolarHBondContact O-CG 3.46Å; M1670-L1674 PolarHBondContact O-N 2.65Å |
| 1671 | A | 78.9 | Confident | 77.1 | Confident | 55 Ų | 55 | 106.3 Ų | 106.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1667 K1668 A1675 | E1667-A1671 WeakPolarHBondContact O-CA 2.98Å; E1667-A1671 WeakPolarHBondContact O-CB 3.1Å; E1667-A1671 PolarHBondContact O-N 3.29Å; K1668-A1671 PolarHBondContact O-N 3.14Å; A1671-A1675 WeakPolarHBondContact O-CA 3.28Å; A1671-A1675 WeakPolarHBondContact O-CB 3.45Å; A1671-A1675 PolarHBondContact O-N 2.68Å |
| 1672 | Q | 74.6 | Confident | 77.3 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 172 | -79.3 | 176.1 | 8.3 | 0 | 0 | 112.1 | K1668 T1669 M1670 A1675 R1676 | K1668-Q1672 VanDerWaalsContact O-CB 3.24Å; K1668-Q1672 WeakPolarHBondContact O-CB 3.41Å; K1668-Q1672 WeakPolarHBondContact O-CG 3.35Å; K1668-Q1672 PolarHBondContact O-N 3.05Å; T1669-Q1672 CarbonylContact O-C 3.49Å; T1669-Q1672 PolarHBondContact O-N 3.34Å; M1670-Q1672 VanDerWaalsContact C-N 3.34Å; Q1672-A1675 CarbonylContact O-C 3.6Å; Q1672-R1676 WeakPolarHBondContact O-CA 3.38Å; Q1672-R1676 WeakPolarHBondContact O-CB 3.44Å; Q1672-R1676 VanDerWaalsContact O-CG 3.25Å; Q1672-R1676 WeakPolarHBondContact O-CG 3.31Å; Q1672-R1676 PolarHBondContact O-N 3.26Å |
| 1673 | K | 77.5 | Confident | 77.4 | Confident | 117 Ų | 117 | 106 Ų | 106 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.1 | -38.3 | 176 | -81.3 | -177 | 178.8 | -171.2 | 0 | 110.8 | T1669 M1670 R1676 L1677 | T1669-K1673 HydrophobicContact CG2-CD 4.48Å; T1669-K1673 HydrophobicContact CG2-CG 4.45Å; T1669-K1673 WeakPolarHBondContact O-CA 3.46Å; T1669-K1673 WeakPolarHBondContact O-CB 3.21Å; T1669-K1673 WeakPolarHBondContact O-CG 3.02Å; T1669-K1673 PolarHBondContact O-N 2.72Å; M1670-K1673 CarbonylContact O-C 3.53Å; M1670-K1673 PolarHBondContact O-N 3.2Å; K1673-R1676 CarbonylContact O-C 3.51Å; K1673-R1676 PolarHBondContact O-N 2.68Å; K1673-L1677 WeakPolarHBondContact O-CA 3.26Å; K1673-L1677 VanDerWaalsContact O-CB 3.24Å; K1673-L1677 WeakPolarHBondContact O-CB 2.88Å; K1673-L1677 VanDerWaalsContact O-CG 3.24Å; K1673-L1677 WeakPolarHBondContact O-CG 3.19Å; K1673-L1677 PolarHBondContact O-N 2.63Å |
| 1674 | L | 76.7 | Confident | 77.1 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 172.1 | -74.8 | 168.9 | 0 | 0 | 0 | 110.4 | M1670 R1678 | M1670-L1674 WeakPolarHBondContact O-CA 3.36Å; M1670-L1674 WeakPolarHBondContact O-CB 3.41Å; M1670-L1674 WeakPolarHBondContact O-CG 3.46Å; M1670-L1674 PolarHBondContact O-N 2.65Å; L1674-R1678 VanDerWaalsContact O-CB 3.25Å; L1674-R1678 WeakPolarHBondContact O-CB 2.93Å; L1674-R1678 VanDerWaalsContact O-CG 3.3Å; L1674-R1678 WeakPolarHBondContact O-CG 3.05Å; L1674-R1678 PolarHBondContact O-N 2.69Å |
| 1675 | A | 78.8 | Confident | 76.8 | Confident | 56 Ų | 56 | 106.9 Ų | 106.9 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -36 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1671 Q1672 H1679 | A1671-A1675 WeakPolarHBondContact O-CA 3.28Å; A1671-A1675 WeakPolarHBondContact O-CB 3.45Å; A1671-A1675 PolarHBondContact O-N 2.68Å; Q1672-A1675 CarbonylContact O-C 3.6Å; A1675-H1679 WeakPolarHBondContact O-CA 3.36Å; A1675-H1679 WeakPolarHBondContact O-CB 3.1Å; A1675-H1679 PolarHBondContact O-N 2.69Å |
| 1676 | R | 75.8 | Confident | 76.9 | Confident | 155 Ų | 155 | 108.2 Ų | 108.2 | 59% | 0.585 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.5 | -40.6 | 172.3 | -84.3 | -179.1 | -176 | 174.2 | 3 | 111.6 | Q1672 K1673 H1679 Y1680 | Q1672-R1676 WeakPolarHBondContact O-CA 3.38Å; Q1672-R1676 WeakPolarHBondContact O-CB 3.44Å; Q1672-R1676 VanDerWaalsContact O-CG 3.25Å; Q1672-R1676 WeakPolarHBondContact O-CG 3.31Å; Q1672-R1676 PolarHBondContact O-N 3.26Å; K1673-R1676 CarbonylContact O-C 3.51Å; K1673-R1676 PolarHBondContact O-N 2.68Å; R1676-H1679 CarbonylContact O-C 3.43Å; R1676-H1679 PolarHBondContact O-N 2.67Å; R1676-Y1680 HydrophobicContact CB-CD2 4.24Å; R1676-Y1680 HydrophobicContact CB-CE2 4.14Å; R1676-Y1680 VanDerWaalsContact O-CB 3.28Å; R1676-Y1680 WeakPolarHBondContact O-CB 3.38Å; R1676-Y1680 WeakPolarHBondContact O-CD2 3.48Å; R1676-Y1680 VanDerWaalsContact O-CG 3.28Å; R1676-Y1680 PolarHBondContact O-N 2.69Å |
| 1677 | L | 77.4 | Confident | 76.9 | Confident | 94 Ų | 94 | 107.9 Ų | 107.9 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 174.9 | -81.2 | 167.1 | 0 | 0 | 0 | 109 | K1673 H1679 Y1680 E1681 | K1673-L1677 WeakPolarHBondContact O-CA 3.26Å; K1673-L1677 VanDerWaalsContact O-CB 3.24Å; K1673-L1677 WeakPolarHBondContact O-CB 2.88Å; K1673-L1677 VanDerWaalsContact O-CG 3.24Å; K1673-L1677 WeakPolarHBondContact O-CG 3.19Å; K1673-L1677 PolarHBondContact O-N 2.63Å; L1677-H1679 VanDerWaalsContact C-N 3.27Å; L1677-H1679 PolarHBondContact O-N 3.3Å; L1677-Y1680 CarbonylContact O-C 3.52Å; L1677-Y1680 WeakPolarHBondContact O-CA 3.34Å; L1677-Y1680 PolarHBondContact O-N 2.7Å; L1677-E1681 VanDerWaalsContact O-CB 3.31Å; L1677-E1681 WeakPolarHBondContact O-CB 3.1Å; L1677-E1681 VanDerWaalsContact O-CG 3.26Å; L1677-E1681 WeakPolarHBondContact O-CG 3.06Å; L1677-E1681 PolarHBondContact O-N 2.65Å |
| 1678 | R | 75.5 | Confident | 77 | Confident | 167 Ų | 167 | 105.8 Ų | 105.8 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.4 | -38.6 | 169.5 | -76.4 | -174.1 | -160.3 | 166.8 | 6 | 112.1 | L1674 Y1680 I1682 | L1674-R1678 VanDerWaalsContact O-CB 3.25Å; L1674-R1678 WeakPolarHBondContact O-CB 2.93Å; L1674-R1678 VanDerWaalsContact O-CG 3.3Å; L1674-R1678 WeakPolarHBondContact O-CG 3.05Å; L1674-R1678 PolarHBondContact O-N 2.69Å; R1678-Y1680 VanDerWaalsContact C-N 3.34Å; R1678-I1682 WeakPolarHBondContact O-CB 3.36Å; R1678-I1682 WeakPolarHBondContact O-CD1 3.41Å; R1678-I1682 WeakPolarHBondContact O-CG1 3.45Å; R1678-I1682 PolarHBondContact O-N 2.73Å |
| 1679 | H | 76.2 | Confident | 76.9 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.3 | -34 | 176 | -171.4 | 69.9 | 0 | 0 | 0 | 111.3 | A1675 R1676 L1677 Y1683 | A1675-H1679 WeakPolarHBondContact O-CA 3.36Å; A1675-H1679 WeakPolarHBondContact O-CB 3.1Å; A1675-H1679 PolarHBondContact O-N 2.69Å; R1676-H1679 CarbonylContact O-C 3.43Å; R1676-H1679 PolarHBondContact O-N 2.67Å; L1677-H1679 VanDerWaalsContact C-N 3.27Å; L1677-H1679 PolarHBondContact O-N 3.3Å; H1679-Y1683 WeakPolarHBondContact O-CA 3.13Å; H1679-Y1683 WeakPolarHBondContact O-CB 3.11Å; H1679-Y1683 PolarHBondContact O-N 2.71Å |
| 1680 | Y | 77.9 | Confident | 77 | Confident | 138 Ų | 138 | 109.8 Ų | 109.8 | 54% | 0.541 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.6 | -29.3 | 175.6 | -76.4 | -54.7 | 0 | 0 | 0 | 112.2 | R1676 L1677 R1678 Y1683 Q1684 | R1676-Y1680 HydrophobicContact CB-CD2 4.24Å; R1676-Y1680 HydrophobicContact CB-CE2 4.14Å; R1676-Y1680 VanDerWaalsContact O-CB 3.28Å; R1676-Y1680 WeakPolarHBondContact O-CB 3.38Å; R1676-Y1680 WeakPolarHBondContact O-CD2 3.48Å; R1676-Y1680 VanDerWaalsContact O-CG 3.28Å; R1676-Y1680 PolarHBondContact O-N 2.69Å; L1677-Y1680 CarbonylContact O-C 3.52Å; L1677-Y1680 WeakPolarHBondContact O-CA 3.34Å; L1677-Y1680 PolarHBondContact O-N 2.7Å; R1678-Y1680 VanDerWaalsContact C-N 3.34Å; Y1680-Y1683 CarbonylContact O-C 3.59Å; Y1680-Q1684 WeakPolarHBondContact O-CA 3.09Å; Y1680-Q1684 WeakPolarHBondContact O-CB 3.21Å; Y1680-Q1684 WeakPolarHBondContact O-CG 3.37Å; Y1680-Q1684 PolarHBondContact O-N 2.76Å |
| 1681 | E | 73.5 | Confident | 76.9 | Confident | 107 Ų | 107 | 109.9 Ų | 109.9 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.2 | -49.1 | 171.2 | -77.3 | 168.8 | 178.2 | 0 | 0 | 108.7 | L1677 Y1683 Q1684 D1685 | L1677-E1681 VanDerWaalsContact O-CB 3.31Å; L1677-E1681 WeakPolarHBondContact O-CB 3.1Å; L1677-E1681 VanDerWaalsContact O-CG 3.26Å; L1677-E1681 WeakPolarHBondContact O-CG 3.06Å; L1677-E1681 PolarHBondContact O-N 2.65Å; E1681-Y1683 VanDerWaalsContact C-N 3.31Å; E1681-Y1683 PolarHBondContact O-N 3.21Å; E1681-Q1684 PolarHBondContact O-N 2.72Å; E1681-D1685 WeakPolarHBondContact O-CA 3.42Å; E1681-D1685 WeakPolarHBondContact O-CB 3.08Å; E1681-D1685 VanDerWaalsContact O-CG 3.27Å; E1681-D1685 PolarHBondContact O-N 2.73Å |
| 1682 | I | 80.9 | Confident | 76.7 | Confident | 91 Ų | 91 | 111.4 Ų | 111.4 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 172 | -66.8 | 165.1 | 0 | 0 | 0 | 110 | R1678 E1686 | R1678-I1682 WeakPolarHBondContact O-CB 3.36Å; R1678-I1682 WeakPolarHBondContact O-CD1 3.41Å; R1678-I1682 WeakPolarHBondContact O-CG1 3.45Å; R1678-I1682 PolarHBondContact O-N 2.73Å; I1682-E1686 HydrophobicContact CG2-CG 4.28Å; I1682-E1686 WeakPolarHBondContact O-CA 3.15Å; I1682-E1686 WeakPolarHBondContact O-CB 3.48Å; I1682-E1686 WeakPolarHBondContact O-CG 3.17Å; I1682-E1686 PolarHBondContact O-N 3.18Å |
| 1683 | Y | 77.3 | Confident | 76.9 | Confident | 121 Ų | 121 | 111.2 Ų | 111.2 | 48% | 0.475 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.9 | -34.5 | 177.3 | -179.8 | -91 | 0 | 0 | 0 | 111.8 | H1679 Y1680 E1681 K1687 | H1679-Y1683 WeakPolarHBondContact O-CA 3.13Å; H1679-Y1683 WeakPolarHBondContact O-CB 3.11Å; H1679-Y1683 PolarHBondContact O-N 2.71Å; Y1680-Y1683 CarbonylContact O-C 3.59Å; E1681-Y1683 VanDerWaalsContact C-N 3.31Å; E1681-Y1683 PolarHBondContact O-N 3.21Å; Y1683-K1687 HydrophobicContact CD1-CB 4.49Å; Y1683-K1687 HydrophobicContact CE1-CB 4.39Å; Y1683-K1687 HydrophobicContact CE1-CD 4.22Å; Y1683-K1687 WeakPolarHBondContact O-CA 3.05Å; Y1683-K1687 WeakPolarHBondContact O-CB 3.38Å; Y1683-K1687 PolarHBondContact O-N 2.79Å |
| 1684 | Q | 72 | Confident | 76.7 | Confident | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -46.4 | 170.5 | -97.6 | -171.4 | -9.2 | 0 | 0 | 108.9 | Y1680 E1681 E1686 K1687 L1688 | Y1680-Q1684 WeakPolarHBondContact O-CA 3.09Å; Y1680-Q1684 WeakPolarHBondContact O-CB 3.21Å; Y1680-Q1684 WeakPolarHBondContact O-CG 3.37Å; Y1680-Q1684 PolarHBondContact O-N 2.76Å; E1681-Q1684 PolarHBondContact O-N 2.72Å; Q1684-E1686 VanDerWaalsContact C-N 3.28Å; Q1684-E1686 PolarHBondContact O-N 2.7Å; Q1684-K1687 CarbonylContact O-C 3.59Å; Q1684-K1687 PolarHBondContact O-N 3.48Å; Q1684-L1688 WeakPolarHBondContact O-CA 3.1Å; Q1684-L1688 WeakPolarHBondContact O-CB 3.37Å; Q1684-L1688 PolarHBondContact O-N 3.41Å |
| 1685 | D | 75.1 | Confident | 76.7 | Confident | 95 Ų | 95 | 109 Ų | 109 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 175.2 | -80.3 | -9.5 | 0 | 0 | 0 | 110.9 | E1681 K1689 | E1681-D1685 WeakPolarHBondContact O-CA 3.42Å; E1681-D1685 WeakPolarHBondContact O-CB 3.08Å; E1681-D1685 VanDerWaalsContact O-CG 3.27Å; E1681-D1685 PolarHBondContact O-N 2.73Å; D1685-K1689 WeakPolarHBondContact O-CA 3.13Å; D1685-K1689 WeakPolarHBondContact O-CB 3.05Å; D1685-K1689 WeakPolarHBondContact O-CD 3.47Å; D1685-K1689 WeakPolarHBondContact O-CG 3.12Å; D1685-K1689 PolarHBondContact O-N 2.58Å |
| 1686 | E | 80.4 | Confident | 76.7 | Confident | 93 Ų | 93 | 112.7 Ų | 112.7 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.6 | -36.9 | 174.5 | -82.3 | -174.5 | -172 | 0 | 0 | 112 | I1682 Q1684 K1690 | I1682-E1686 HydrophobicContact CG2-CG 4.28Å; I1682-E1686 WeakPolarHBondContact O-CA 3.15Å; I1682-E1686 WeakPolarHBondContact O-CB 3.48Å; I1682-E1686 WeakPolarHBondContact O-CG 3.17Å; I1682-E1686 PolarHBondContact O-N 3.18Å; Q1684-E1686 VanDerWaalsContact C-N 3.28Å; Q1684-E1686 PolarHBondContact O-N 2.7Å; E1686-K1690 WeakPolarHBondContact O-CA 3.44Å; E1686-K1690 WeakPolarHBondContact O-CB 3.22Å; E1686-K1690 WeakPolarHBondContact O-CG 3.1Å; E1686-K1690 PolarHBondContact O-N 2.67Å |
| 1687 | K | 77.9 | Confident | 76.7 | Confident | 100 Ų | 100 | 111.1 Ų | 111.1 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.6 | -41.8 | 177 | -175 | -171.2 | -179.1 | -150.5 | 0 | 109.6 | Y1683 Q1684 K1690 E1691 | Y1683-K1687 HydrophobicContact CD1-CB 4.49Å; Y1683-K1687 HydrophobicContact CE1-CB 4.39Å; Y1683-K1687 HydrophobicContact CE1-CD 4.22Å; Y1683-K1687 WeakPolarHBondContact O-CA 3.05Å; Y1683-K1687 WeakPolarHBondContact O-CB 3.38Å; Y1683-K1687 PolarHBondContact O-N 2.79Å; Q1684-K1687 CarbonylContact O-C 3.59Å; Q1684-K1687 PolarHBondContact O-N 3.48Å; K1687-K1690 CarbonylContact O-C 3.45Å; K1687-K1690 PolarHBondContact O-N 3.18Å; K1687-E1691 WeakPolarHBondContact CE-OE1 3.4Å; K1687-E1691 HydrophobicContact CG-CG 4.49Å; K1687-E1691 IonicContact NZ-OE1 3.44Å; K1687-E1691 PolarHBondContact NZ-OE1 3.02Å; K1687-E1691 WeakPolarHBondContact O-CA 3.4Å; K1687-E1691 WeakPolarHBondContact O-CB 3.18Å; K1687-E1691 VanDerWaalsContact O-CG 3.26Å; K1687-E1691 WeakPolarHBondContact O-CG 3.15Å; K1687-E1691 PolarHBondContact O-N 3.1Å |
| 1688 | L | 79 | Confident | 76.5 | Confident | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -34.2 | 174.5 | -158.8 | 102.9 | 0 | 0 | 0 | 110.1 | Q1684 N1692 | Q1684-L1688 WeakPolarHBondContact O-CA 3.1Å; Q1684-L1688 WeakPolarHBondContact O-CB 3.37Å; Q1684-L1688 PolarHBondContact O-N 3.41Å; L1688-N1692 WeakPolarHBondContact O-CA 3.38Å; L1688-N1692 WeakPolarHBondContact O-CB 3.49Å; L1688-N1692 PolarHBondContact O-N 3.25Å; L1688-N1692 PolarHBondContact O-ND2 2.76Å; L1688-N1692 VanDerWaalsContact O-ND2 3.09Å |
| 1689 | K | 78.4 | Confident | 76.5 | Confident | 138 Ų | 138 | 108 Ų | 108 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.5 | -39.2 | 166.8 | -83.5 | 171.1 | -179.1 | 171.5 | 0 | 110.9 | D1685 N1692 E1693 | D1685-K1689 WeakPolarHBondContact O-CA 3.13Å; D1685-K1689 WeakPolarHBondContact O-CB 3.05Å; D1685-K1689 WeakPolarHBondContact O-CD 3.47Å; D1685-K1689 WeakPolarHBondContact O-CG 3.12Å; D1685-K1689 PolarHBondContact O-N 2.58Å; K1689-N1692 CarbonylContact O-C 3.55Å; K1689-N1692 PolarHBondContact O-N 2.76Å; K1689-E1693 WeakPolarHBondContact O-CA 3.06Å; K1689-E1693 WeakPolarHBondContact O-CB 2.99Å; K1689-E1693 WeakPolarHBondContact O-CG 3.12Å; K1689-E1693 PolarHBondContact O-N 3.5Å |
| 1690 | K | 77 | Confident | 76.5 | Confident | 126 Ų | 126 | 107.9 Ų | 107.9 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.4 | -34.3 | 174.5 | -80.8 | 169.2 | -176.8 | 163.1 | 0 | 111.9 | E1686 K1687 K1694 | E1686-K1690 WeakPolarHBondContact O-CA 3.44Å; E1686-K1690 WeakPolarHBondContact O-CB 3.22Å; E1686-K1690 WeakPolarHBondContact O-CG 3.1Å; E1686-K1690 PolarHBondContact O-N 2.67Å; K1687-K1690 CarbonylContact O-C 3.45Å; K1687-K1690 PolarHBondContact O-N 3.18Å; K1690-K1694 WeakPolarHBondContact O-CA 3.46Å; K1690-K1694 WeakPolarHBondContact O-CB 3.35Å; K1690-K1694 PolarHBondContact O-N 2.97Å |
| 1691 | E | 74.3 | Confident | 76.2 | Confident | 90 Ų | 90 | 107.4 Ų | 107.4 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.7 | -32.7 | 174.5 | -81.8 | 175.7 | -178 | 0 | 0 | 110.4 | K1687 K1694 A1695 | K1687-E1691 WeakPolarHBondContact CE-OE1 3.4Å; K1687-E1691 HydrophobicContact CG-CG 4.49Å; K1687-E1691 IonicContact NZ-OE1 3.44Å; K1687-E1691 PolarHBondContact NZ-OE1 3.02Å; K1687-E1691 WeakPolarHBondContact O-CA 3.4Å; K1687-E1691 WeakPolarHBondContact O-CB 3.18Å; K1687-E1691 VanDerWaalsContact O-CG 3.26Å; K1687-E1691 WeakPolarHBondContact O-CG 3.15Å; K1687-E1691 PolarHBondContact O-N 3.1Å; E1691-K1694 CarbonylContact O-C 3.52Å; E1691-A1695 WeakPolarHBondContact O-CA 3.45Å; E1691-A1695 WeakPolarHBondContact O-CB 3.17Å; E1691-A1695 PolarHBondContact O-N 3.26Å |
| 1692 | N | 74.6 | Confident | 76.1 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.1 | -29.3 | 170.9 | -76.4 | -29.7 | 0 | 0 | 0 | 111.2 | L1688 K1689 K1696 | L1688-N1692 WeakPolarHBondContact O-CA 3.38Å; L1688-N1692 WeakPolarHBondContact O-CB 3.49Å; L1688-N1692 PolarHBondContact O-N 3.25Å; L1688-N1692 PolarHBondContact O-ND2 2.76Å; L1688-N1692 VanDerWaalsContact O-ND2 3.09Å; K1689-N1692 CarbonylContact O-C 3.55Å; K1689-N1692 PolarHBondContact O-N 2.76Å; N1692-K1696 WeakPolarHBondContact O-CA 2.97Å; N1692-K1696 WeakPolarHBondContact O-CB 3.36Å; N1692-K1696 WeakPolarHBondContact O-CG 3.13Å; N1692-K1696 PolarHBondContact O-N 3.29Å |
| 1693 | E | 78.7 | Confident | 75.6 | Confident | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76.4 | -34.7 | 168.4 | -82.5 | -176.3 | 176.8 | 0 | 0 | 110 | K1689 K1697 | K1689-E1693 WeakPolarHBondContact O-CA 3.06Å; K1689-E1693 WeakPolarHBondContact O-CB 2.99Å; K1689-E1693 WeakPolarHBondContact O-CG 3.12Å; K1689-E1693 PolarHBondContact O-N 3.5Å; E1693-K1697 WeakPolarHBondContact O-CA 3.4Å; E1693-K1697 WeakPolarHBondContact O-CB 3.1Å; E1693-K1697 WeakPolarHBondContact O-CG 3.33Å; E1693-K1697 PolarHBondContact O-N 2.96Å |
| 1694 | K | 74.3 | Confident | 75.4 | Confident | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.3 | -43.5 | 170.4 | -117.9 | -174.5 | 171.8 | -167.8 | 0 | 110 | K1690 E1691 K1697 E1698 | K1690-K1694 WeakPolarHBondContact O-CA 3.46Å; K1690-K1694 WeakPolarHBondContact O-CB 3.35Å; K1690-K1694 PolarHBondContact O-N 2.97Å; E1691-K1694 CarbonylContact O-C 3.52Å; K1694-K1697 CarbonylContact O-C 3.45Å; K1694-K1697 PolarHBondContact O-N 3.23Å; K1694-E1698 WeakPolarHBondContact O-CA 3.3Å; K1694-E1698 WeakPolarHBondContact O-CB 3.25Å; K1694-E1698 WeakPolarHBondContact O-CG 3.43Å; K1694-E1698 PolarHBondContact O-N 3.29Å |
| 1695 | A | 75.3 | Confident | 75.1 | Confident | 32 Ų | 32 | 101.9 Ų | 101.9 | 26% | 0.264 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.8 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | E1691 E1698 I1699 | E1691-A1695 WeakPolarHBondContact O-CA 3.45Å; E1691-A1695 WeakPolarHBondContact O-CB 3.17Å; E1691-A1695 PolarHBondContact O-N 3.26Å; A1695-E1698 CarbonylContact O-C 3.59Å; A1695-E1698 PolarHBondContact O-N 3.43Å; A1695-I1699 WeakPolarHBondContact O-CA 3.04Å; A1695-I1699 WeakPolarHBondContact O-CB 3.21Å; A1695-I1699 WeakPolarHBondContact O-CD1 3.45Å; A1695-I1699 WeakPolarHBondContact O-CG1 3.49Å; A1695-I1699 PolarHBondContact O-N 3.47Å |
| 1696 | K | 79.2 | Confident | 74.7 | Confident | 135 Ų | 135 | 101.1 Ų | 101.1 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 169.2 | -86.6 | -179.6 | 176.3 | -176 | 0 | 110.9 | N1692 I1699 E1700 | N1692-K1696 WeakPolarHBondContact O-CA 2.97Å; N1692-K1696 WeakPolarHBondContact O-CB 3.36Å; N1692-K1696 WeakPolarHBondContact O-CG 3.13Å; N1692-K1696 PolarHBondContact O-N 3.29Å; K1696-I1699 CarbonylContact O-C 3.55Å; K1696-I1699 PolarHBondContact O-N 2.9Å; K1696-E1700 WeakPolarHBondContact O-CA 3.25Å; K1696-E1700 WeakPolarHBondContact O-CB 3.06Å; K1696-E1700 WeakPolarHBondContact O-CG 3.46Å; K1696-E1700 PolarHBondContact O-N 2.81Å |
| 1697 | K | 76.8 | Confident | 73.6 | Confident | 122 Ų | 122 | 103 Ų | 103 | 53% | 0.53 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 173.4 | -79.1 | 175.6 | -178.6 | 176.6 | 0 | 112 | E1693 K1694 E1700 E1701 | E1693-K1697 WeakPolarHBondContact O-CA 3.4Å; E1693-K1697 WeakPolarHBondContact O-CB 3.1Å; E1693-K1697 WeakPolarHBondContact O-CG 3.33Å; E1693-K1697 PolarHBondContact O-N 2.96Å; K1694-K1697 CarbonylContact O-C 3.45Å; K1694-K1697 PolarHBondContact O-N 3.23Å; K1697-E1700 CarbonylContact O-C 3.6Å; K1697-E1701 WeakPolarHBondContact O-CA 3.18Å; K1697-E1701 WeakPolarHBondContact O-CB 3.19Å; K1697-E1701 WeakPolarHBondContact O-CG 2.88Å; K1697-E1701 PolarHBondContact O-N 2.94Å |
| 1698 | E | 72.6 | Confident | 72.4 | Confident | 100 Ų | 100 | 103.5 Ų | 103.5 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.7 | -28.6 | 177.2 | -81.8 | 174.1 | -169.4 | 0 | 0 | 110.1 | K1694 A1695 L1702 | K1694-E1698 WeakPolarHBondContact O-CA 3.3Å; K1694-E1698 WeakPolarHBondContact O-CB 3.25Å; K1694-E1698 WeakPolarHBondContact O-CG 3.43Å; K1694-E1698 PolarHBondContact O-N 3.29Å; A1695-E1698 CarbonylContact O-C 3.59Å; A1695-E1698 PolarHBondContact O-N 3.43Å; E1698-L1702 VanDerWaalsContact O-CA 3.26Å; E1698-L1702 WeakPolarHBondContact O-CA 3.24Å; E1698-L1702 WeakPolarHBondContact O-CB 3.33Å; E1698-L1702 VanDerWaalsContact O-CD1 3.29Å; E1698-L1702 WeakPolarHBondContact O-CD1 3.44Å; E1698-L1702 WeakPolarHBondContact O-CG 3.07Å; E1698-L1702 PolarHBondContact O-N 3.43Å |
| 1699 | I | 75.5 | Confident | 71.2 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80.7 | -33 | 171.5 | -72.2 | 165.4 | 0 | 0 | 0 | 109.4 | A1695 K1696 N1703 | A1695-I1699 WeakPolarHBondContact O-CA 3.04Å; A1695-I1699 WeakPolarHBondContact O-CB 3.21Å; A1695-I1699 WeakPolarHBondContact O-CD1 3.45Å; A1695-I1699 WeakPolarHBondContact O-CG1 3.49Å; A1695-I1699 PolarHBondContact O-N 3.47Å; K1696-I1699 CarbonylContact O-C 3.55Å; K1696-I1699 PolarHBondContact O-N 2.9Å; I1699-N1703 VanDerWaalsContact O-CA 3.29Å; I1699-N1703 WeakPolarHBondContact O-CA 3.22Å; I1699-N1703 WeakPolarHBondContact O-CB 3.26Å; I1699-N1703 PolarHBondContact O-N 2.92Å; I1699-N1703 PolarHBondContact O-ND2 2.86Å |
| 1700 | E | 75.6 | Confident | 70.1 | Confident | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.3 | -41.4 | 170.4 | -79.2 | 170.1 | -170.5 | 0 | 0 | 109.4 | K1696 K1697 N1703 V1704 | K1696-E1700 WeakPolarHBondContact O-CA 3.25Å; K1696-E1700 WeakPolarHBondContact O-CB 3.06Å; K1696-E1700 WeakPolarHBondContact O-CG 3.46Å; K1696-E1700 PolarHBondContact O-N 2.81Å; K1697-E1700 CarbonylContact O-C 3.6Å; E1700-N1703 CarbonylContact O-C 3.53Å; E1700-N1703 PolarHBondContact O-N 3.43Å; E1700-V1704 WeakPolarHBondContact O-CA 3.44Å; E1700-V1704 WeakPolarHBondContact O-CB 3.06Å; E1700-V1704 WeakPolarHBondContact O-CG2 3.39Å; E1700-V1704 PolarHBondContact O-N 2.83Å |
| 1701 | E | 71.7 | Confident | 68.6 | Low | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.2 | -40.7 | 172.4 | -79.9 | 176.5 | -175.8 | 0 | 0 | 110.4 | K1697 N1703 V1704 V1705 | K1697-E1701 WeakPolarHBondContact O-CA 3.18Å; K1697-E1701 WeakPolarHBondContact O-CB 3.19Å; K1697-E1701 WeakPolarHBondContact O-CG 2.88Å; K1697-E1701 PolarHBondContact O-N 2.94Å; E1701-N1703 VanDerWaalsContact C-N 3.34Å; E1701-V1704 CarbonylContact O-C 3.52Å; E1701-V1704 PolarHBondContact O-N 2.86Å; E1701-V1705 WeakPolarHBondContact O-CA 3.46Å; E1701-V1705 WeakPolarHBondContact O-CB 3.4Å; E1701-V1705 WeakPolarHBondContact O-CG2 3.43Å; E1701-V1705 PolarHBondContact O-N 3.42Å |
| 1702 | L | 71.4 | Confident | 66.9 | Low | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.2 | -33.8 | 171.8 | -87.8 | 154.6 | 0 | 0 | 0 | 109.8 | E1698 V1705 L1706 | E1698-L1702 VanDerWaalsContact O-CA 3.26Å; E1698-L1702 WeakPolarHBondContact O-CA 3.24Å; E1698-L1702 WeakPolarHBondContact O-CB 3.33Å; E1698-L1702 VanDerWaalsContact O-CD1 3.29Å; E1698-L1702 WeakPolarHBondContact O-CD1 3.44Å; E1698-L1702 WeakPolarHBondContact O-CG 3.07Å; E1698-L1702 PolarHBondContact O-N 3.43Å; L1702-V1705 CarbonylContact O-C 3.47Å; L1702-V1705 PolarHBondContact O-N 3.45Å; L1702-L1706 VanDerWaalsContact O-CA 3.26Å; L1702-L1706 WeakPolarHBondContact O-CA 3.24Å; L1702-L1706 WeakPolarHBondContact O-CB 3.37Å; L1702-L1706 PolarHBondContact O-N 3.4Å |
| 1703 | N | 69.7 | Low | 65.4 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.4 | -32.4 | 174.5 | -85.8 | -27.7 | 0 | 0 | 0 | 110.4 | I1699 E1700 E1701 H1707 | I1699-N1703 VanDerWaalsContact O-CA 3.29Å; I1699-N1703 WeakPolarHBondContact O-CA 3.22Å; I1699-N1703 WeakPolarHBondContact O-CB 3.26Å; I1699-N1703 PolarHBondContact O-N 2.92Å; I1699-N1703 PolarHBondContact O-ND2 2.86Å; E1700-N1703 CarbonylContact O-C 3.53Å; E1700-N1703 PolarHBondContact O-N 3.43Å; E1701-N1703 VanDerWaalsContact C-N 3.34Å; N1703-H1707 WeakPolarHBondContact O-CA 3.3Å; N1703-H1707 WeakPolarHBondContact O-CB 3.08Å; N1703-H1707 PolarHBondContact O-N 2.81Å |
| 1704 | V | 72.6 | Confident | 63.7 | Low | 79 Ų | 79 | 101.8 Ų | 101.8 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.3 | -38 | 171.3 | 167.6 | 0 | 0 | 0 | 0 | 109.3 | E1700 E1701 H1707 E1708 | E1700-V1704 WeakPolarHBondContact O-CA 3.44Å; E1700-V1704 WeakPolarHBondContact O-CB 3.06Å; E1700-V1704 WeakPolarHBondContact O-CG2 3.39Å; E1700-V1704 PolarHBondContact O-N 2.83Å; E1701-V1704 CarbonylContact O-C 3.52Å; E1701-V1704 PolarHBondContact O-N 2.86Å; V1704-H1707 CarbonylContact O-C 3.56Å; V1704-E1708 HydrophobicContact CG1-CG 4.33Å; V1704-E1708 WeakPolarHBondContact O-CA 3.4Å; V1704-E1708 WeakPolarHBondContact O-CB 3.33Å; V1704-E1708 WeakPolarHBondContact O-CG 3.35Å; V1704-E1708 PolarHBondContact O-N 2.96Å |
| 1705 | V | 66 | Low | 62 | Low | 69 Ų | 69 | 99.2 Ų | 99.2 | 42% | 0.418 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75 | -28.6 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | E1701 L1702 T1709 | E1701-V1705 WeakPolarHBondContact O-CA 3.46Å; E1701-V1705 WeakPolarHBondContact O-CB 3.4Å; E1701-V1705 WeakPolarHBondContact O-CG2 3.43Å; E1701-V1705 PolarHBondContact O-N 3.42Å; L1702-V1705 CarbonylContact O-C 3.47Å; L1702-V1705 PolarHBondContact O-N 3.45Å; V1705-T1709 HydrophobicContact CG1-CG2 4.2Å; V1705-T1709 WeakPolarHBondContact O-CA 3.38Å; V1705-T1709 WeakPolarHBondContact O-CB 3.09Å; V1705-T1709 WeakPolarHBondContact O-CG2 3.4Å; V1705-T1709 PolarHBondContact O-N 3.21Å; V1705-T1709 PolarHBondContact O-OG1 3.21Å |
| 1706 | L | 67.7 | Low | 60.5 | Low | 80 Ų | 80 | 101.6 Ų | 101.6 | 42% | 0.419 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83.6 | -34.7 | 176.5 | -161.5 | 154 | 0 | 0 | 0 | 109.3 | L1702 T1709 K1710 | L1702-L1706 VanDerWaalsContact O-CA 3.26Å; L1702-L1706 WeakPolarHBondContact O-CA 3.24Å; L1702-L1706 WeakPolarHBondContact O-CB 3.37Å; L1702-L1706 PolarHBondContact O-N 3.4Å; L1706-T1709 VanDerWaalsContact CA-OG1 3.23Å; L1706-T1709 WeakPolarHBondContact CA-OG1 3.31Å; L1706-T1709 PolarHBondContact O-OG1 3.46Å; L1706-K1710 HydrophobicContact CD2-CD 3.86Å; L1706-K1710 HydrophobicContact CD2-CG 4.05Å; L1706-K1710 WeakPolarHBondContact O-CA 3.47Å; L1706-K1710 WeakPolarHBondContact O-CB 3.46Å; L1706-K1710 VanDerWaalsContact O-CG 3.29Å; L1706-K1710 WeakPolarHBondContact O-CG 3.5Å; L1706-K1710 PolarHBondContact O-N 3.37Å |
| 1707 | H | 57.5 | Low | 58.7 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 164.3 | -109.3 | -81.2 | 0 | 0 | 0 | 110.6 | N1703 V1704 F1711 | N1703-H1707 WeakPolarHBondContact O-CA 3.3Å; N1703-H1707 WeakPolarHBondContact O-CB 3.08Å; N1703-H1707 PolarHBondContact O-N 2.81Å; V1704-H1707 CarbonylContact O-C 3.56Å; H1707-F1711 WeakPolarHBondContact O-CA 3.48Å; H1707-F1711 WeakPolarHBondContact O-CB 3.48Å; H1707-F1711 PolarHBondContact O-N 2.66Å |
| 1708 | E | 51.5 | Low | 56.7 | Low | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | 177.1 | -82 | 179 | 176.3 | 0 | 0 | 109.2 | V1704 F1711 I1712 | V1704-E1708 HydrophobicContact CG1-CG 4.33Å; V1704-E1708 WeakPolarHBondContact O-CA 3.4Å; V1704-E1708 WeakPolarHBondContact O-CB 3.33Å; V1704-E1708 WeakPolarHBondContact O-CG 3.35Å; V1704-E1708 PolarHBondContact O-N 2.96Å; E1708-F1711 CarbonylContact O-C 3.51Å; E1708-F1711 PolarHBondContact O-N 3.17Å; E1708-I1712 HydrophobicContact CB-CD1 4.44Å; E1708-I1712 WeakPolarHBondContact O-CA 3.39Å; E1708-I1712 WeakPolarHBondContact O-CB 3.37Å; E1708-I1712 WeakPolarHBondContact O-CD1 3.47Å; E1708-I1712 WeakPolarHBondContact O-CG1 3.4Å; E1708-I1712 PolarHBondContact O-N 3.12Å |
| 1709 | T | 54 | Low | 55 | Low | 73 Ų | 73 | 101 Ų | 101 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.2 | -34.5 | 175.9 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | V1705 L1706 I1712 H1713 | V1705-T1709 HydrophobicContact CG1-CG2 4.2Å; V1705-T1709 WeakPolarHBondContact O-CA 3.38Å; V1705-T1709 WeakPolarHBondContact O-CB 3.09Å; V1705-T1709 WeakPolarHBondContact O-CG2 3.4Å; V1705-T1709 PolarHBondContact O-N 3.21Å; V1705-T1709 PolarHBondContact O-OG1 3.21Å; L1706-T1709 VanDerWaalsContact CA-OG1 3.23Å; L1706-T1709 WeakPolarHBondContact CA-OG1 3.31Å; L1706-T1709 PolarHBondContact O-OG1 3.46Å; T1709-I1712 CarbonylContact O-C 3.54Å; T1709-H1713 WeakPolarHBondContact O-CA 3.42Å; T1709-H1713 WeakPolarHBondContact O-CB 3.4Å; T1709-H1713 PolarHBondContact O-N 3.07Å |
| 1710 | K | 55 | Low | 53.4 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 166.9 | -86.7 | -175.6 | 172.8 | 179.2 | 0 | 110.6 | L1706 H1713 E1714 | L1706-K1710 HydrophobicContact CD2-CD 3.86Å; L1706-K1710 HydrophobicContact CD2-CG 4.05Å; L1706-K1710 WeakPolarHBondContact O-CA 3.47Å; L1706-K1710 WeakPolarHBondContact O-CB 3.46Å; L1706-K1710 VanDerWaalsContact O-CG 3.29Å; L1706-K1710 WeakPolarHBondContact O-CG 3.5Å; L1706-K1710 PolarHBondContact O-N 3.37Å; K1710-H1713 CarbonylContact O-C 3.51Å; K1710-H1713 WeakPolarHBondContact O-CB 3.48Å; K1710-H1713 PolarHBondContact O-N 3.41Å; K1710-H1713 VanDerWaalsContact O-N 3.17Å; K1710-E1714 WeakPolarHBondContact O-CB 3.21Å; K1710-E1714 WeakPolarHBondContact O-CG 3.35Å; K1710-E1714 PolarHBondContact O-N 2.9Å |
| 1711 | F | 47.4 | Very low | 52 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.9 | -31.1 | 177.8 | -166.5 | -94.8 | 0 | 0 | 0 | 111 | H1707 E1708 Q1715 | H1707-F1711 WeakPolarHBondContact O-CA 3.48Å; H1707-F1711 WeakPolarHBondContact O-CB 3.48Å; H1707-F1711 PolarHBondContact O-N 2.66Å; E1708-F1711 CarbonylContact O-C 3.51Å; E1708-F1711 PolarHBondContact O-N 3.17Å; F1711-Q1715 HydrophobicContact CD1-CG 3.95Å; F1711-Q1715 HydrophobicContact CE1-CG 3.79Å; F1711-Q1715 HydrophobicContact CZ-CG 4.29Å; F1711-Q1715 WeakPolarHBondContact O-CA 3.15Å; F1711-Q1715 WeakPolarHBondContact O-CB 3.13Å; F1711-Q1715 WeakPolarHBondContact O-CG 3.33Å; F1711-Q1715 PolarHBondContact O-N 3.47Å |
| 1712 | I | 38.4 | Very low | 50.2 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.2 | -34 | 168.9 | -73.1 | 158.5 | 0 | 0 | 0 | 108.9 | E1708 T1709 N1716 | E1708-I1712 HydrophobicContact CB-CD1 4.44Å; E1708-I1712 WeakPolarHBondContact O-CA 3.39Å; E1708-I1712 WeakPolarHBondContact O-CB 3.37Å; E1708-I1712 WeakPolarHBondContact O-CD1 3.47Å; E1708-I1712 WeakPolarHBondContact O-CG1 3.4Å; E1708-I1712 PolarHBondContact O-N 3.12Å; T1709-I1712 CarbonylContact O-C 3.54Å; I1712-N1716 WeakPolarHBondContact CG2-ND2 3.25Å; I1712-N1716 WeakPolarHBondContact O-CA 3.5Å; I1712-N1716 WeakPolarHBondContact O-CB 3.2Å; I1712-N1716 PolarHBondContact O-N 3.18Å; I1712-N1716 PolarHBondContact O-ND2 3.49Å; I1712-N1716 VanDerWaalsContact O-ND2 3.1Å |
| 1713 | H | 42.2 | Very low | 48.4 | Very low | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.1 | -46.1 | 176.7 | -170.5 | 75 | 0 | 0 | 0 | 110.5 | T1709 K1710 N1716 H1717 | T1709-H1713 WeakPolarHBondContact O-CA 3.42Å; T1709-H1713 WeakPolarHBondContact O-CB 3.4Å; T1709-H1713 PolarHBondContact O-N 3.07Å; K1710-H1713 CarbonylContact O-C 3.51Å; K1710-H1713 WeakPolarHBondContact O-CB 3.48Å; K1710-H1713 PolarHBondContact O-N 3.41Å; K1710-H1713 VanDerWaalsContact O-N 3.17Å; H1713-N1716 PolarHBondContact O-N 3.44Å; H1713-H1717 WeakPolarHBondContact O-CB 3.44Å; H1713-H1717 PolarHBondContact O-N 3.29Å |
| 1714 | E | 42.4 | Very low | 47.1 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -43.9 | 174 | -75.7 | 172.3 | 176.1 | 0 | 0 | 110.8 | K1710 H1717 M1718 | K1710-E1714 WeakPolarHBondContact O-CB 3.21Å; K1710-E1714 WeakPolarHBondContact O-CG 3.35Å; K1710-E1714 PolarHBondContact O-N 2.9Å; E1714-H1717 WeakPolarHBondContact O-CB 3.49Å; E1714-H1717 PolarHBondContact O-N 2.74Å; E1714-M1718 WeakPolarHBondContact O-CG 3.23Å; E1714-M1718 PolarHBondContact O-N 3.23Å |
| 1715 | Q | 40.1 | Very low | 45.9 | Very low | 78 Ų | 78 | 113.1 Ų | 113.1 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.8 | -40.1 | 171.3 | -76.6 | -160.2 | -18.4 | 0 | 0 | 111.2 | F1711 H1717 M1718 I1719 | F1711-Q1715 HydrophobicContact CD1-CG 3.95Å; F1711-Q1715 HydrophobicContact CE1-CG 3.79Å; F1711-Q1715 HydrophobicContact CZ-CG 4.29Å; F1711-Q1715 WeakPolarHBondContact O-CA 3.15Å; F1711-Q1715 WeakPolarHBondContact O-CB 3.13Å; F1711-Q1715 WeakPolarHBondContact O-CG 3.33Å; F1711-Q1715 PolarHBondContact O-N 3.47Å; Q1715-H1717 PolarHBondContact O-N 3.3Å; Q1715-M1718 CarbonylContact O-C 3.39Å; Q1715-M1718 WeakPolarHBondContact O-CA 3.32Å; Q1715-M1718 PolarHBondContact O-N 3.44Å; Q1715-I1719 HydrophobicContact CB-CD1 3.81Å; Q1715-I1719 HydrophobicContact CB-CG1 4.33Å; Q1715-I1719 WeakPolarHBondContact O-CA 3.41Å; Q1715-I1719 WeakPolarHBondContact O-CB 3.41Å; Q1715-I1719 VanDerWaalsContact O-CD1 3.31Å; Q1715-I1719 WeakPolarHBondContact O-CD1 3.5Å; Q1715-I1719 WeakPolarHBondContact O-CG1 3.49Å; Q1715-I1719 PolarHBondContact O-N 3.09Å |
| 1716 | N | 42.7 | Very low | 45.2 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.8 | -33.1 | 174.1 | -79.7 | -23.2 | 0 | 0 | 0 | 110.9 | I1712 H1713 | I1712-N1716 WeakPolarHBondContact CG2-ND2 3.25Å; I1712-N1716 WeakPolarHBondContact O-CA 3.5Å; I1712-N1716 WeakPolarHBondContact O-CB 3.2Å; I1712-N1716 PolarHBondContact O-N 3.18Å; I1712-N1716 PolarHBondContact O-ND2 3.49Å; I1712-N1716 VanDerWaalsContact O-ND2 3.1Å; H1713-N1716 PolarHBondContact O-N 3.44Å |
| 1717 | H | 41 | Very low | 44.4 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -35.3 | 171.1 | -130.3 | -79.1 | 0 | 0 | 0 | 112.4 | H1713 E1714 Q1715 | H1713-H1717 WeakPolarHBondContact O-CB 3.44Å; H1713-H1717 PolarHBondContact O-N 3.29Å; E1714-H1717 WeakPolarHBondContact O-CB 3.49Å; E1714-H1717 PolarHBondContact O-N 2.74Å; Q1715-H1717 PolarHBondContact O-N 3.3Å |
| 1718 | M | 36.4 | Very low | 43.9 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -84.5 | -26.1 | 177.1 | -64.5 | -96.9 | 98.5 | 0 | 0 | 113.8 | E1714 Q1715 N1720 N1721 | E1714-M1718 WeakPolarHBondContact O-CG 3.23Å; E1714-M1718 PolarHBondContact O-N 3.23Å; Q1715-M1718 CarbonylContact O-C 3.39Å; Q1715-M1718 WeakPolarHBondContact O-CA 3.32Å; Q1715-M1718 PolarHBondContact O-N 3.44Å; M1718-N1720 VanDerWaalsContact C-N 3.34Å; M1718-N1720 PolarHBondContact O-N 3.35Å; M1718-N1721 PolarHBondContact O-N 2.74Å |
| 1719 | I | 36.2 | Very low | 43.9 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 37% | 0.374 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75.1 | -24.1 | -173.7 | -79.1 | 163.2 | 0 | 0 | 0 | 111 | Q1715 N1721 | Q1715-I1719 HydrophobicContact CB-CD1 3.81Å; Q1715-I1719 HydrophobicContact CB-CG1 4.33Å; Q1715-I1719 WeakPolarHBondContact O-CA 3.41Å; Q1715-I1719 WeakPolarHBondContact O-CB 3.41Å; Q1715-I1719 VanDerWaalsContact O-CD1 3.31Å; Q1715-I1719 WeakPolarHBondContact O-CD1 3.5Å; Q1715-I1719 WeakPolarHBondContact O-CG1 3.49Å; Q1715-I1719 PolarHBondContact O-N 3.09Å; I1719-N1721 PolarHBondContact O-N 3.5Å; I1719-N1721 VanDerWaalsContact O-N 3.17Å |
| 1720 | N | 42.1 | Very low | 44.2 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -16 | 167.2 | -85.9 | -14.2 | 0 | 0 | 0 | 112.9 | M1718 | M1718-N1720 VanDerWaalsContact C-N 3.34Å; M1718-N1720 PolarHBondContact O-N 3.35Å |
| 1721 | N | 45.7 | Very low | 44.5 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -16.6 | -176.7 | -74.3 | -13.1 | 0 | 0 | 0 | 115.8 | M1718 I1719 | M1718-N1721 PolarHBondContact O-N 2.74Å; I1719-N1721 PolarHBondContact O-N 3.5Å; I1719-N1721 VanDerWaalsContact O-N 3.17Å |
| 1722 | Q | 33.4 | Very low | 45 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | trans | -144.1 | 83.8 | -173.5 | -65.8 | -172.1 | -9.2 | 0 | 0 | 113.9 | ||||
| 1723 | L | 34.3 | Very low | 46.4 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | trans | -87.5 | 118.8 | 171.5 | -76.2 | 158.4 | 0 | 0 | 0 | 110.5 | ||||
| 1724 | N | 41.8 | Very low | 47.7 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 88% | 0.882 | 61% | 0.613 | S | S | * | * | trans | 178.3 | 38.9 | 146 | -93.3 | -18.7 | 0 | 0 | 0 | 115.6 | ||||
| 1725 | N | 48.9 | Very low | 48.6 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | trans | -126.2 | 112.1 | 173.9 | -149.8 | -24 | 0 | 0 | 0 | 114.2 | Q1727 | N1725-Q1727 PolarHBondContact O-N 3.46Š| ||
| 1726 | P | 49.9 | Very low | 49.7 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.5 | -22.1 | -168.5 | 23.8 | -34.1 | 0 | 0 | 0 | 116.1 | R1729 H1730 | P1726-R1729 PolarHBondContact O-N 3.19Å; P1726-H1730 PolarHBondContact O-N 3.21Å |
| 1727 | Q | 51.4 | Low | 50.9 | Low | 158 Ų | 158 | 127.6 Ų | 127.6 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.5 | -36.4 | -179.8 | -71.3 | -179.3 | -13.4 | 0 | 0 | 112.7 | N1725 R1729 H1730 K1731 | N1725-Q1727 PolarHBondContact O-N 3.46Å; Q1727-R1729 VanDerWaalsContact C-N 3.32Å; Q1727-R1729 PolarHBondContact O-N 3.47Å; Q1727-H1730 PolarHBondContact O-N 3.22Å; Q1727-K1731 PolarHBondContact O-N 3.44Å |
| 1728 | L | 48.3 | Very low | 52.4 | Low | 101 Ų | 101 | 125.4 Ų | 125.4 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.7 | -38 | 176.6 | -85.2 | 153.8 | 0 | 0 | 0 | 111.7 | H1730 K1731 L1732 | L1728-H1730 VanDerWaalsContact C-N 3.32Å; L1728-H1730 PolarHBondContact O-N 3.26Å; L1728-K1731 PolarHBondContact O-N 3.17Å; L1728-L1732 WeakPolarHBondContact O-CG 3.5Å; L1728-L1732 PolarHBondContact O-N 3.1Å |
| 1729 | R | 50.4 | Low | 54 | Low | 192 Ų | 192 | 123.9 Ų | 123.9 | 73% | 0.725 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -35.4 | 178.4 | -165.5 | 176.1 | 179 | 176 | 0.3 | 112.4 | P1726 Q1727 L1733 | P1726-R1729 PolarHBondContact O-N 3.19Å; Q1727-R1729 VanDerWaalsContact C-N 3.32Å; Q1727-R1729 PolarHBondContact O-N 3.47Å; R1729-L1733 PolarHBondContact O-N 3.48Å |
| 1730 | H | 60.3 | Low | 55.6 | Low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.597 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.6 | -41.4 | 179.2 | -169.1 | 56.8 | 0 | 0 | 0 | 112.4 | P1726 Q1727 L1728 L1732 L1733 I1734 | P1726-H1730 PolarHBondContact O-N 3.21Å; Q1727-H1730 PolarHBondContact O-N 3.22Å; L1728-H1730 VanDerWaalsContact C-N 3.32Å; L1728-H1730 PolarHBondContact O-N 3.26Å; H1730-L1732 PolarHBondContact O-N 2.83Å; H1730-L1733 PolarHBondContact O-N 2.87Å; H1730-I1734 WeakPolarHBondContact O-CG1 3.41Å; H1730-I1734 PolarHBondContact O-N 3.44Å |
| 1731 | K | 61.5 | Low | 57.3 | Low | 153 Ų | 153 | 125.2 Ų | 125.2 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.5 | -43.1 | 175 | -92.4 | -174 | 172.7 | -176.1 | 0 | 112.4 | Q1727 L1728 L1733 I1734 Q1735 | Q1727-K1731 PolarHBondContact O-N 3.44Å; L1728-K1731 PolarHBondContact O-N 3.17Å; K1731-L1733 VanDerWaalsContact C-N 3.32Å; K1731-L1733 PolarHBondContact O-N 3.16Å; K1731-I1734 PolarHBondContact O-N 3.28Å; K1731-Q1735 PolarHBondContact O-N 3.26Å |
| 1732 | L | 58.3 | Low | 58.7 | Low | 97 Ų | 97 | 126.1 Ų | 126.1 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.4 | -36.2 | 178.7 | -73 | 167.5 | 0 | 0 | 0 | 112.4 | L1728 H1730 I1734 Q1735 H1736 | L1728-L1732 WeakPolarHBondContact O-CG 3.5Å; L1728-L1732 PolarHBondContact O-N 3.1Å; H1730-L1732 PolarHBondContact O-N 2.83Å; L1732-I1734 VanDerWaalsContact C-N 3.33Å; L1732-I1734 PolarHBondContact O-N 3.29Å; L1732-Q1735 PolarHBondContact O-N 3Å; L1732-H1736 PolarHBondContact O-N 3.41Å; L1732-H1736 VanDerWaalsContact O-N 3.09Å |
| 1733 | L | 67.2 | Low | 60.8 | Low | 106 Ų | 106 | 121.5 Ų | 121.5 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66 | -35.6 | 178.4 | -141.3 | 109.8 | 0 | 0 | 0 | 112.4 | R1729 H1730 K1731 Q1737 | R1729-L1733 PolarHBondContact O-N 3.48Å; H1730-L1733 PolarHBondContact O-N 2.87Å; K1731-L1733 VanDerWaalsContact C-N 3.32Å; K1731-L1733 PolarHBondContact O-N 3.16Å; L1733-Q1737 PolarHBondContact O-N 3.38Å |
| 1734 | I | 69 | Low | 62.9 | Low | 75 Ų | 75 | 121.5 Ų | 121.5 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69 | -42.5 | 176.3 | -63.8 | 169 | 0 | 0 | 0 | 110.6 | H1730 K1731 L1732 H1736 Q1737 N1738 | H1730-I1734 WeakPolarHBondContact O-CG1 3.41Å; H1730-I1734 PolarHBondContact O-N 3.44Å; K1731-I1734 PolarHBondContact O-N 3.28Å; L1732-I1734 VanDerWaalsContact C-N 3.33Å; L1732-I1734 PolarHBondContact O-N 3.29Å; I1734-H1736 VanDerWaalsContact C-N 3.33Å; I1734-H1736 PolarHBondContact O-N 3.41Å; I1734-Q1737 PolarHBondContact O-N 3.46Å; I1734-N1738 PolarHBondContact O-N 3.32Å; I1734-N1738 VanDerWaalsContact O-N 3.1Å |
| 1735 | Q | 60.9 | Low | 64.8 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 49% | 0.486 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.3 | -40.7 | 178 | -74.1 | 179.3 | -18.3 | 0 | 0 | 111.7 | K1731 L1732 Q1737 N1738 I1739 | K1731-Q1735 PolarHBondContact O-N 3.26Å; L1732-Q1735 PolarHBondContact O-N 3Å; Q1735-Q1737 PolarHBondContact O-N 3.4Å; Q1735-N1738 PolarHBondContact O-N 2.9Å; Q1735-I1739 WeakPolarHBondContact O-CG1 3.44Å; Q1735-I1739 PolarHBondContact O-N 3.5Å; Q1735-I1739 VanDerWaalsContact O-N 3.17Å |
| 1736 | H | 63.8 | Low | 66.1 | Low | 126 Ų | 126 | 120.7 Ų | 120.7 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.6 | -37.3 | 175.7 | -166.4 | -115.2 | 0 | 0 | 0 | 112.6 | L1732 I1734 M1740 | L1732-H1736 PolarHBondContact O-N 3.41Å; L1732-H1736 VanDerWaalsContact O-N 3.09Å; I1734-H1736 VanDerWaalsContact C-N 3.33Å; I1734-H1736 PolarHBondContact O-N 3.41Å; H1736-M1740 WeakPolarHBondContact O-CG 3.44Å; H1736-M1740 PolarHBondContact O-N 3.04Å; H1736-M1740 VanDerWaalsContact O-N 3.12Å |
| 1737 | Q | 69.3 | Low | 67.6 | Low | 127 Ų | 127 | 120.4 Ų | 120.4 | 59% | 0.593 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -37.3 | 174.2 | -86.9 | -174.1 | -19.1 | 0 | 0 | 113.2 | L1733 I1734 Q1735 M1740 K1741 | L1733-Q1737 PolarHBondContact O-N 3.38Å; I1734-Q1737 PolarHBondContact O-N 3.46Å; Q1735-Q1737 PolarHBondContact O-N 3.4Å; Q1737-M1740 PolarHBondContact O-N 2.76Å; Q1737-K1741 PolarHBondContact O-N 3.17Å |
| 1738 | N | 71.5 | Confident | 69 | Low | 91 Ų | 91 | 119.7 Ų | 119.7 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69 | -39.1 | 178.8 | -75.7 | -15.3 | 0 | 0 | 0 | 112.3 | I1734 Q1735 M1740 K1741 K1742 | I1734-N1738 PolarHBondContact O-N 3.32Å; I1734-N1738 VanDerWaalsContact O-N 3.1Å; Q1735-N1738 PolarHBondContact O-N 2.9Å; N1738-M1740 VanDerWaalsContact C-N 3.35Å; N1738-K1741 WeakPolarHBondContact O-CB 3.26Å; N1738-K1741 PolarHBondContact O-N 2.91Å; N1738-K1742 PolarHBondContact O-N 3.39Å |
| 1739 | I | 69.8 | Low | 70.5 | Confident | 101 Ų | 101 | 121.1 Ų | 121.1 | 52% | 0.518 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -44.1 | 174.2 | -65.5 | 168.4 | 0 | 0 | 0 | 110.1 | Q1735 K1741 K1742 I1743 | Q1735-I1739 WeakPolarHBondContact O-CG1 3.44Å; Q1735-I1739 PolarHBondContact O-N 3.5Å; Q1735-I1739 VanDerWaalsContact O-N 3.17Å; I1739-K1741 VanDerWaalsContact C-N 3.26Å; I1739-K1741 PolarHBondContact O-N 3.32Å; I1739-K1742 PolarHBondContact O-N 3.47Å; I1739-I1743 HydrophobicContact CG2-CD1 4.01Å; I1739-I1743 WeakPolarHBondContact O-CG1 3.46Å; I1739-I1743 PolarHBondContact O-N 3.33Å; I1739-I1743 VanDerWaalsContact O-N 3.14Å |
| 1740 | M | 71 | Confident | 71.8 | Confident | 98 Ų | 98 | 117 Ų | 117 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -26.9 | 176.4 | -74.1 | -69.6 | -90.4 | 0 | 0 | 113.6 | H1736 Q1737 N1738 K1744 | H1736-M1740 WeakPolarHBondContact O-CG 3.44Å; H1736-M1740 PolarHBondContact O-N 3.04Å; H1736-M1740 VanDerWaalsContact O-N 3.12Å; Q1737-M1740 PolarHBondContact O-N 2.76Å; N1738-M1740 VanDerWaalsContact C-N 3.35Å; M1740-K1744 WeakPolarHBondContact O-CG 3.48Å; M1740-K1744 PolarHBondContact O-N 2.85Å |
| 1741 | K | 77.4 | Confident | 72.9 | Confident | 143 Ų | 143 | 117.9 Ų | 117.9 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.6 | -46.9 | 171.4 | -87.9 | -176.5 | 176.5 | 178.2 | 0 | 112.1 | Q1737 N1738 I1739 I1743 K1744 E1745 | Q1737-K1741 PolarHBondContact O-N 3.17Å; N1738-K1741 WeakPolarHBondContact O-CB 3.26Å; N1738-K1741 PolarHBondContact O-N 2.91Å; I1739-K1741 VanDerWaalsContact C-N 3.26Å; I1739-K1741 PolarHBondContact O-N 3.32Å; K1741-I1743 VanDerWaalsContact C-N 3.32Å; K1741-I1743 PolarHBondContact O-N 2.91Å; K1741-K1744 WeakPolarHBondContact O-CB 3.05Å; K1741-K1744 PolarHBondContact O-N 3.18Å; K1741-E1745 PolarHBondContact O-N 2.9Å; K1741-E1745 VanDerWaalsContact O-N 3.14Å |
| 1742 | K | 75.4 | Confident | 74 | Confident | 151 Ų | 151 | 115.6 Ų | 115.6 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.2 | -42.4 | 178.2 | -83.5 | -173.8 | 172.7 | -176 | 0 | 112.3 | N1738 I1739 K1744 E1745 Q1746 | N1738-K1742 PolarHBondContact O-N 3.39Å; I1739-K1742 PolarHBondContact O-N 3.47Å; K1742-K1744 PolarHBondContact O-N 3.44Å; K1742-E1745 PolarHBondContact O-N 3.25Å; K1742-Q1746 PolarHBondContact O-N 3.45Å |
| 1743 | I | 75.8 | Confident | 75.1 | Confident | 80 Ų | 80 | 116.1 Ų | 116.1 | 41% | 0.41 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -31.4 | 176.8 | -65.6 | 169.9 | 0 | 0 | 0 | 111.7 | I1739 K1741 N1747 | I1739-I1743 HydrophobicContact CG2-CD1 4.01Å; I1739-I1743 WeakPolarHBondContact O-CG1 3.46Å; I1739-I1743 PolarHBondContact O-N 3.33Å; I1739-I1743 VanDerWaalsContact O-N 3.14Å; K1741-I1743 VanDerWaalsContact C-N 3.32Å; K1741-I1743 PolarHBondContact O-N 2.91Å; I1743-N1747 PolarHBondContact O-N 2.86Å; I1743-N1747 PolarHBondContact O-ND2 3.44Å |
| 1744 | K | 78.3 | Confident | 75.7 | Confident | 147 Ų | 147 | 117.3 Ų | 117.3 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75 | -33.4 | 176.3 | -80 | -178.5 | 177.3 | -178.8 | 0 | 113.4 | M1740 K1741 K1742 K1748 | M1740-K1744 WeakPolarHBondContact O-CG 3.48Å; M1740-K1744 PolarHBondContact O-N 2.85Å; K1741-K1744 WeakPolarHBondContact O-CB 3.05Å; K1741-K1744 PolarHBondContact O-N 3.18Å; K1742-K1744 PolarHBondContact O-N 3.44Å; K1744-K1748 PolarHBondContact O-N 3.48Å |
| 1745 | E | 81.7 | Confident | 76.2 | Confident | 130 Ų | 130 | 118 Ų | 118 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -46.8 | 175.7 | -85.6 | 171.2 | 164.2 | 0 | 0 | 111.6 | K1741 K1742 N1747 K1748 E1749 | K1741-E1745 PolarHBondContact O-N 2.9Å; K1741-E1745 VanDerWaalsContact O-N 3.14Å; K1742-E1745 PolarHBondContact O-N 3.25Å; E1745-N1747 VanDerWaalsContact C-N 3.28Å; E1745-N1747 PolarHBondContact O-N 2.89Å; E1745-K1748 WeakPolarHBondContact O-CB 3.43Å; E1745-K1748 PolarHBondContact O-N 2.87Å; E1745-E1749 PolarHBondContact O-N 3.34Å |
| 1746 | Q | 77.4 | Confident | 77.1 | Confident | 125 Ų | 125 | 118.7 Ų | 118.7 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.4 | -38.2 | 177 | -70.2 | 179.2 | -30.1 | 0 | 0 | 112.5 | K1742 K1748 E1749 L1750 | K1742-Q1746 PolarHBondContact O-N 3.45Å; Q1746-K1748 VanDerWaalsContact C-N 3.27Å; Q1746-K1748 PolarHBondContact O-N 3.3Å; Q1746-E1749 PolarHBondContact O-N 3.33Å; Q1746-L1750 PolarHBondContact O-N 3.18Å |
| 1747 | N | 80.3 | Confident | 77.8 | Confident | 94 Ų | 94 | 117 Ų | 117 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.8 | -21.2 | 174.7 | -87.1 | -54.2 | 0 | 0 | 0 | 114.1 | I1743 E1745 | I1743-N1747 PolarHBondContact O-N 2.86Å; I1743-N1747 PolarHBondContact O-ND2 3.44Å; E1745-N1747 VanDerWaalsContact C-N 3.28Å; E1745-N1747 PolarHBondContact O-N 2.89Å |
| 1748 | K | 80.9 | Confident | 78.1 | Confident | 144 Ų | 144 | 115.4 Ų | 115.4 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.8 | -42.5 | 173.7 | -73.7 | 179.1 | -180 | -179.5 | 0 | 111.4 | K1744 E1745 Q1746 K1751 I1752 | K1744-K1748 PolarHBondContact O-N 3.48Å; E1745-K1748 WeakPolarHBondContact O-CB 3.43Å; E1745-K1748 PolarHBondContact O-N 2.87Å; Q1746-K1748 VanDerWaalsContact C-N 3.27Å; Q1746-K1748 PolarHBondContact O-N 3.3Å; K1748-K1751 PolarHBondContact O-N 3.46Å; K1748-I1752 WeakPolarHBondContact O-CG1 3.09Å; K1748-I1752 PolarHBondContact O-N 3.44Å |
| 1749 | E | 80.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 118 Ų | 118 | 61% | 0.612 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.1 | -45 | 177.6 | -74.5 | -179.6 | 154.8 | 0 | 0 | 111.9 | E1745 Q1746 K1751 I1752 L1753 | E1745-E1749 PolarHBondContact O-N 3.34Å; Q1746-E1749 PolarHBondContact O-N 3.33Å; E1749-K1751 PolarHBondContact O-N 3.02Å; E1749-I1752 PolarHBondContact O-N 3.39Å; E1749-I1752 VanDerWaalsContact O-N 3.08Å; E1749-L1753 PolarHBondContact O-N 2.92Å; E1749-L1753 VanDerWaalsContact O-N 3.09Å |
| 1750 | L | 78.3 | Confident | 78.7 | Confident | 105 Ų | 105 | 118.2 Ų | 118.2 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.4 | -35.6 | 176.2 | -86 | 163.2 | 0 | 0 | 0 | 113.1 | Q1746 Q1754 | Q1746-L1750 PolarHBondContact O-N 3.18Å; L1750-Q1754 PolarHBondContact O-N 2.95Å; L1750-Q1754 VanDerWaalsContact O-N 3.14Å |
| 1751 | K | 83.9 | Confident | 78.9 | Confident | 148 Ų | 148 | 121.6 Ų | 121.6 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.7 | -37.7 | 176 | -80.4 | -176.2 | 176.6 | -176 | 0 | 112.7 | K1748 E1749 Q1754 T1755 | K1748-K1751 PolarHBondContact O-N 3.46Å; E1749-K1751 PolarHBondContact O-N 3.02Å; K1751-Q1754 PolarHBondContact O-N 3.43Å; K1751-T1755 PolarHBondContact O-N 2.99Å; K1751-T1755 VanDerWaalsContact O-N 3.11Å; K1751-T1755 PolarHBondContact O-OG1 3.28Å |
| 1752 | I | 83.4 | Confident | 78.4 | Confident | 105 Ų | 105 | 120.7 Ų | 120.7 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -47.7 | 177.8 | -65.4 | 167 | 0 | 0 | 0 | 109.7 | K1748 E1749 Q1754 T1755 E1756 | K1748-I1752 WeakPolarHBondContact O-CG1 3.09Å; K1748-I1752 PolarHBondContact O-N 3.44Å; E1749-I1752 PolarHBondContact O-N 3.39Å; E1749-I1752 VanDerWaalsContact O-N 3.08Å; I1752-Q1754 VanDerWaalsContact C-N 3.31Å; I1752-Q1754 PolarHBondContact O-N 2.93Å; I1752-T1755 WeakPolarHBondContact CA-OG1 3.34Å; I1752-T1755 PolarHBondContact O-N 3.43Å; I1752-T1755 PolarHBondContact O-OG1 3.3Å; I1752-E1756 PolarHBondContact O-N 3.26Å |
| 1753 | L | 81.5 | Confident | 78.2 | Confident | 107 Ų | 107 | 118 Ų | 118 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.2 | -39.3 | 177.5 | -72.8 | 163.5 | 0 | 0 | 0 | 112.4 | E1749 T1755 E1756 L1757 | E1749-L1753 PolarHBondContact O-N 2.92Å; E1749-L1753 VanDerWaalsContact O-N 3.09Å; L1753-T1755 VanDerWaalsContact C-N 3.35Å; L1753-T1755 PolarHBondContact O-N 2.83Å; L1753-E1756 PolarHBondContact O-N 3.44Å; L1753-L1757 WeakPolarHBondContact O-CB 3.38Å; L1753-L1757 PolarHBondContact O-N 2.72Å |
| 1754 | Q | 79.3 | Confident | 77.8 | Confident | 131 Ų | 131 | 121.2 Ų | 121.2 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -36.3 | 174.1 | -83 | -177.2 | -16.9 | 0 | 0 | 113.2 | L1750 K1751 I1752 N1758 | L1750-Q1754 PolarHBondContact O-N 2.95Å; L1750-Q1754 VanDerWaalsContact O-N 3.14Å; K1751-Q1754 PolarHBondContact O-N 3.43Å; I1752-Q1754 VanDerWaalsContact C-N 3.31Å; I1752-Q1754 PolarHBondContact O-N 2.93Å; Q1754-N1758 PolarHBondContact O-N 3.36Å; Q1754-N1758 VanDerWaalsContact O-N 3.13Å; Q1754-N1758 PolarHBondContact O-ND2 3.5Å |
| 1755 | T | 80.1 | Confident | 77 | Confident | 91 Ų | 91 | 116.7 Ų | 116.7 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.4 | -39 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | K1751 I1752 L1753 N1758 Y1759 | K1751-T1755 PolarHBondContact O-N 2.99Å; K1751-T1755 VanDerWaalsContact O-N 3.11Å; K1751-T1755 PolarHBondContact O-OG1 3.28Å; I1752-T1755 WeakPolarHBondContact CA-OG1 3.34Å; I1752-T1755 PolarHBondContact O-N 3.43Å; I1752-T1755 PolarHBondContact O-OG1 3.3Å; L1753-T1755 VanDerWaalsContact C-N 3.35Å; L1753-T1755 PolarHBondContact O-N 2.83Å; T1755-N1758 PolarHBondContact O-N 3.5Å; T1755-Y1759 PolarHBondContact O-N 3.21Å |
| 1756 | E | 78.8 | Confident | 75.6 | Confident | 118 Ų | 118 | 115.8 Ų | 115.8 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -42.5 | 176.8 | -127 | 168 | -171.5 | 0 | 0 | 111.6 | I1752 L1753 N1758 Y1759 L1760 | I1752-E1756 PolarHBondContact O-N 3.26Å; L1753-E1756 PolarHBondContact O-N 3.44Å; E1756-N1758 VanDerWaalsContact C-N 3.32Å; E1756-N1758 PolarHBondContact O-N 2.88Å; E1756-Y1759 WeakPolarHBondContact O-CB 3.47Å; E1756-Y1759 PolarHBondContact O-N 2.99Å; E1756-L1760 PolarHBondContact O-N 3.07Å |
| 1757 | L | 79.6 | Confident | 74.9 | Confident | 90 Ų | 90 | 116.9 Ų | 116.9 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -36.5 | 176.9 | -163.2 | 141.2 | 0 | 0 | 0 | 112.1 | L1753 R1761 | L1753-L1757 WeakPolarHBondContact O-CB 3.38Å; L1753-L1757 PolarHBondContact O-N 2.72Å; L1757-R1761 WeakPolarHBondContact O-CG 3.46Å; L1757-R1761 PolarHBondContact O-N 3.12Å; L1757-R1761 VanDerWaalsContact O-N 3.09Å |
| 1758 | N | 76.3 | Confident | 73 | Confident | 93 Ų | 93 | 120.9 Ų | 120.9 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.1 | -37.4 | 173 | -78.9 | -22.7 | 0 | 0 | 0 | 112.6 | Q1754 T1755 E1756 R1761 Q1762 | Q1754-N1758 PolarHBondContact O-N 3.36Å; Q1754-N1758 VanDerWaalsContact O-N 3.13Å; Q1754-N1758 PolarHBondContact O-ND2 3.5Å; T1755-N1758 PolarHBondContact O-N 3.5Å; E1756-N1758 VanDerWaalsContact C-N 3.32Å; E1756-N1758 PolarHBondContact O-N 2.88Å; N1758-R1761 PolarHBondContact O-N 3Å; N1758-Q1762 PolarHBondContact O-N 3.45Å |
| 1759 | Y | 76.8 | Confident | 70.8 | Confident | 145 Ų | 145 | 123.2 Ų | 123.2 | 57% | 0.569 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.3 | -46.1 | 174.8 | -177.7 | -96.6 | 0 | 0 | 0 | 111.5 | T1755 E1756 R1761 Q1762 Q1763 | T1755-Y1759 PolarHBondContact O-N 3.21Å; E1756-Y1759 WeakPolarHBondContact O-CB 3.47Å; E1756-Y1759 PolarHBondContact O-N 2.99Å; Y1759-R1761 VanDerWaalsContact C-N 3.32Å; Y1759-R1761 PolarHBondContact O-N 3.44Å; Y1759-Q1762 PolarHBondContact O-N 3.44Å; Y1759-Q1762 VanDerWaalsContact O-N 3.15Å; Y1759-Q1763 PolarHBondContact O-N 2.9Å |
| 1760 | L | 76.4 | Confident | 70.4 | Confident | 107 Ų | 107 | 122.9 Ų | 122.9 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.6 | -38.9 | 174.9 | -74.4 | 166.4 | 0 | 0 | 0 | 112.3 | E1756 Q1763 K1764 | E1756-L1760 PolarHBondContact O-N 3.07Å; L1760-Q1763 PolarHBondContact O-N 3.21Å; L1760-K1764 WeakPolarHBondContact O-CB 3.49Å; L1760-K1764 PolarHBondContact O-N 3.27Å |
| 1761 | R | 74.5 | Confident | 69.9 | Low | 168 Ų | 168 | 123.8 Ų | 123.8 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.7 | -38.9 | 173.7 | -77.6 | 178.2 | 177 | -170.5 | -0.1 | 112.4 | L1757 N1758 Y1759 K1764 S1765 | L1757-R1761 WeakPolarHBondContact O-CG 3.46Å; L1757-R1761 PolarHBondContact O-N 3.12Å; L1757-R1761 VanDerWaalsContact O-N 3.09Å; N1758-R1761 PolarHBondContact O-N 3Å; Y1759-R1761 VanDerWaalsContact C-N 3.32Å; Y1759-R1761 PolarHBondContact O-N 3.44Å; R1761-K1764 PolarHBondContact O-N 2.89Å; R1761-S1765 PolarHBondContact O-N 3.37Å |
| 1762 | Q | 68.2 | Low | 69.2 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.3 | -39 | 176.8 | -119.5 | -180 | -0.8 | 0 | 0 | 112.4 | N1758 Y1759 K1764 S1765 N1766 | N1758-Q1762 PolarHBondContact O-N 3.45Å; Y1759-Q1762 PolarHBondContact O-N 3.44Å; Y1759-Q1762 VanDerWaalsContact O-N 3.15Å; Q1762-K1764 VanDerWaalsContact C-N 3.29Å; Q1762-K1764 PolarHBondContact O-N 3.27Å; Q1762-S1765 WeakPolarHBondContact CA-OG 3.27Å; Q1762-S1765 PolarHBondContact O-N 3.16Å; Q1762-S1765 PolarHBondContact O-OG 2.97Å; Q1762-N1766 WeakPolarHBondContact O-CB 3.43Å; Q1762-N1766 PolarHBondContact O-N 3.35Å |
| 1763 | Q | 70.9 | Confident | 68.3 | Low | 95 Ų | 95 | 123.5 Ų | 123.5 | 44% | 0.444 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.9 | -43.7 | 172.2 | -119.5 | -176.3 | 3 | 0 | 0 | 110.7 | Y1759 L1760 S1765 N1766 L1767 | Y1759-Q1763 PolarHBondContact O-N 2.9Å; L1760-Q1763 PolarHBondContact O-N 3.21Å; Q1763-S1765 VanDerWaalsContact C-N 3.32Å; Q1763-S1765 PolarHBondContact O-N 3.05Å; Q1763-N1766 PolarHBondContact O-N 3.08Å; Q1763-L1767 WeakPolarHBondContact O-CB 3.35Å; Q1763-L1767 PolarHBondContact O-N 2.67Å |
| 1764 | K | 66.6 | Low | 67.5 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.4 | -32 | 176.5 | -163 | 174.2 | -173.9 | 172.5 | 0 | 113 | L1760 R1761 Q1762 K1768 | L1760-K1764 WeakPolarHBondContact O-CB 3.49Å; L1760-K1764 PolarHBondContact O-N 3.27Å; R1761-K1764 PolarHBondContact O-N 2.89Å; Q1762-K1764 VanDerWaalsContact C-N 3.29Å; Q1762-K1764 PolarHBondContact O-N 3.27Å; K1764-K1768 WeakPolarHBondContact O-CG 3.39Å; K1764-K1768 PolarHBondContact O-N 3.28Å |
| 1765 | S | 61.7 | Low | 66.7 | Low | 53 Ų | 53 | 124.1 Ų | 124.1 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -75.9 | -36.6 | 173.7 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | R1761 Q1762 Q1763 L1767 K1768 L1769 | R1761-S1765 PolarHBondContact O-N 3.37Å; Q1762-S1765 WeakPolarHBondContact CA-OG 3.27Å; Q1762-S1765 PolarHBondContact O-N 3.16Å; Q1762-S1765 PolarHBondContact O-OG 2.97Å; Q1763-S1765 VanDerWaalsContact C-N 3.32Å; Q1763-S1765 PolarHBondContact O-N 3.05Å; S1765-L1767 VanDerWaalsContact C-N 3.33Å; S1765-K1768 PolarHBondContact O-N 2.99Å; S1765-L1769 PolarHBondContact O-N 2.92Å |
| 1766 | N | 52.2 | Low | 65.8 | Low | 111 Ų | 111 | 126.4 Ų | 126.4 | 59% | 0.594 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.8 | -23.8 | 176.5 | -78.3 | -8.6 | 0 | 0 | 0 | 113.3 | Q1762 Q1763 K1768 | Q1762-N1766 WeakPolarHBondContact O-CB 3.43Å; Q1762-N1766 PolarHBondContact O-N 3.35Å; Q1763-N1766 PolarHBondContact O-N 3.08Å; N1766-K1768 VanDerWaalsContact C-N 3.31Å |
| 1767 | L | 62.2 | Low | 64.8 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -17.8 | 169.7 | -93.4 | 148.8 | 0 | 0 | 0 | 112.9 | Q1763 S1765 | Q1763-L1767 WeakPolarHBondContact O-CB 3.35Å; Q1763-L1767 PolarHBondContact O-N 2.67Å; S1765-L1767 VanDerWaalsContact C-N 3.33Å |
| 1768 | K | 40.9 | Very low | 63.5 | Low | 178 Ų | 178 | 130.2 Ų | 130.2 | 77% | 0.774 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -20.1 | 177.2 | -85.2 | -173.6 | 171.3 | -168.4 | 0 | 113.4 | K1764 S1765 N1766 | K1764-K1768 WeakPolarHBondContact O-CG 3.39Å; K1764-K1768 PolarHBondContact O-N 3.28Å; S1765-K1768 PolarHBondContact O-N 2.99Å; N1766-K1768 VanDerWaalsContact C-N 3.31Å |
| 1769 | L | 35.6 | Very low | 62.4 | Low | 194 Ų | 194 | 133.5 Ų | 133.5 | 100% | 1.016 | 63% | 0.632 | S | S | * | * | trans | -89 | 0 | 168.2 | -87.3 | 154.6 | 0 | 0 | 0 | 108.7 | S1765 | S1765-L1769 PolarHBondContact O-N 2.92Š|
Retrieved 1,769 of 1,769 residues in 2820.7 ms
(Link to these results)