| 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 | 32.3 | Very low | 54 | Low | 167 Ų | 167 | 103.4 Ų | 103.4 | 82% | 0.823 | 51% | 0.507 | S | S | * | . | 0 | 134.1 | 0 | -64.4 | -177.4 | -178.8 | 0 | 0 | 109 | D78 | M1-D78 VanDerWaalsContact CE-O 3.26Å; M1-D78 WeakPolarHBondContact CE-O 3.5Å | |||
| 2 | D | 28.6 | Very low | 57 | Low | 129 Ų | 129 | 94.8 Ų | 94.8 | 69% | 0.69 | 47% | 0.466 | S | S | * | . | trans | -83.9 | 158.3 | 178.3 | -75.1 | -63.7 | 0 | 0 | 0 | 112.4 | S4 | D2-S4 VanDerWaalsContact CB-OG 3.3Å; D2-S4 WeakPolarHBondContact CB-OG 2.78Å; D2-S4 PolarHBondContact O-N 2.87Å | ||
| 3 | I | 40.1 | Very low | 59.6 | Low | 146 Ų | 146 | 89.4 Ų | 89.4 | 75% | 0.749 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -71.6 | -11.7 | 177.9 | -63.8 | 172.7 | 0 | 0 | 0 | 111.5 | D5 F6 | I3-D5 PolarHBondContact O-N 3.18Å; I3-F6 PolarHBondContact O-N 3.15Å |
| 4 | S | 42.6 | Very low | 61.8 | Low | 70 Ų | 70 | 83.1 Ų | 83.1 | 49% | 0.49 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -59.4 | -38.5 | -178.6 | 46.6 | 0 | 0 | 0 | 0 | 114.5 | D2 F6 N7 | D2-S4 VanDerWaalsContact CB-OG 3.3Å; D2-S4 WeakPolarHBondContact CB-OG 2.78Å; D2-S4 PolarHBondContact O-N 2.87Å; S4-F6 VanDerWaalsContact C-N 3.3Å; S4-F6 PolarHBondContact O-N 3.45Å; S4-N7 PolarHBondContact O-N 3.34Å; S4-N7 VanDerWaalsContact O-N 3.16Å |
| 5 | D | 45.6 | Very low | 63.5 | Low | 86 Ų | 86 | 79.2 Ų | 79.2 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -69.7 | -26.1 | -175.6 | -80.6 | -37.8 | 0 | 0 | 0 | 113.5 | I3 N7 R8 | I3-D5 PolarHBondContact O-N 3.18Å; D5-N7 VanDerWaalsContact C-N 3.29Å; D5-N7 PolarHBondContact O-N 3.18Å; D5-R8 PolarHBondContact O-N 3.47Å |
| 6 | F | 51.4 | Low | 64.8 | Low | 50 Ų | 50 | 76.6 Ų | 76.6 | 22% | 0.219 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -75.4 | -16.1 | 174.8 | -78.3 | -79.9 | 0 | 0 | 0 | 113.5 | I3 S4 R8 L27 K43 D80 I81 I82 | I3-F6 PolarHBondContact O-N 3.15Å; S4-F6 VanDerWaalsContact C-N 3.3Å; S4-F6 PolarHBondContact O-N 3.45Å; F6-R8 PolarHBondContact O-N 2.8Å; F6-L27 HydrophobicContact CD1-CD1 3.92Å; F6-L27 HydrophobicContact CE1-CD1 4.41Å; F6-K43 HydrophobicContact CE1-CD 4.48Å; F6-D80 WeakPolarHBondContact CZ-OD1 3.47Å; F6-I81 WeakPolarHBondContact CE2-O 3.41Å; F6-I81 WeakPolarHBondContact CZ-O 3.28Å; F6-I82 HydrophobicContact CE1-CD1 3.69Å; F6-I82 HydrophobicContact CZ-CD1 3.93Å |
| 7 | N | 52.3 | Low | 65.5 | Low | 127 Ų | 127 | 74 Ų | 74 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -78.2 | -2.5 | 173.5 | -81.7 | -19.3 | 0 | 0 | 0 | 113.8 | S4 D5 | S4-N7 PolarHBondContact O-N 3.34Å; S4-N7 VanDerWaalsContact O-N 3.16Å; D5-N7 VanDerWaalsContact C-N 3.29Å; D5-N7 PolarHBondContact O-N 3.18Å |
| 8 | R | 59.3 | Low | 66.1 | Low | 182 Ų | 182 | 79.1 Ų | 79.1 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -90.1 | -17 | 177.5 | -74.9 | -178.4 | 169.1 | 175.1 | -2.4 | 114.7 | D5 F6 | D5-R8 PolarHBondContact O-N 3.47Å; F6-R8 PolarHBondContact O-N 2.8Å |
| 9 | Y | 71.4 | Confident | 67 | Low | 84 Ų | 84 | 77.7 Ų | 77.7 | 33% | 0.329 | 39% | 0.387 | S | S | . | . | trans | -140.3 | 106.8 | -171.7 | -58.4 | -84.1 | 0 | 0 | 0 | 111 | W11 K41 K43 | Y9-W11 PolarHBondContact O-N 3.16Å; Y9-K41 HydrophobicContact CD1-CB 4.11Å; Y9-K41 HydrophobicContact CE1-CB 4.17Å; Y9-K43 HydrophobicContact CD2-CB 4.37Å; Y9-K43 HydrophobicContact CG-CB 4.14Å | ||
| 10 | D | 80.7 | Confident | 67.7 | Low | 60 Ų | 60 | 78.1 Ų | 78.1 | 32% | 0.321 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -70.3 | -26.5 | 176.6 | -72.9 | 15 | 0 | 0 | 0 | 111.7 | N26 L27 K28 | D10-N26 CarbonylContact O-C 3.55Å; D10-N26 VanDerWaalsContact O-CA 3.25Å; D10-N26 WeakPolarHBondContact O-CA 3.3Å; D10-N26 PolarHBondContact O-OD1 3.37Å; D10-L27 PolarHBondContact O-N 3.47Å; D10-K28 VanDerWaalsContact CG-CE 3.49Å; D10-K28 WeakPolarHBondContact OD1-CE 3.3Å; D10-K28 IonicContact OD1-NZ 2.67Å; D10-K28 PolarHBondContact OD1-NZ 3.27Å; D10-K28 WeakPolarHBondContact OD2-CD 3.43Å; D10-K28 WeakPolarHBondContact OD2-CE 3.47Å; D10-K28 IonicContact OD2-NZ 2.79Å; D10-K28 PolarHBondContact OD2-NZ 3.09Å |
| 11 | W | 89.3 | Confident | 68.5 | Low | 36 Ų | 36 | 79.3 Ų | 79.3 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.5 | 177.6 | -69.9 | 92 | 0 | 0 | 0 | 111.9 | Y9 I25 N26 E31 P37 Y42 K43 | Y9-W11 PolarHBondContact O-N 3.16Å; W11-I25 CarbonylContact C-O 3.56Å; W11-I25 WeakPolarHBondContact CA-O 3.33Å; W11-I25 VanDerWaalsContact CE3-C 3.48Å; W11-N26 HydrophobicContact CD2-CB 3.82Å; W11-N26 HydrophobicContact CE3-CB 3.86Å; W11-N26 HydrophobicContact CH2-CB 3.94Å; W11-N26 HydrophobicContact CZ2-CB 3.91Å; W11-N26 HydrophobicContact CZ3-CB 3.92Å; W11-N26 PolarHBondContact NE1-ND2 2.81Å; W11-E31 HydrophobicContact CH2-CB 4.14Å; W11-P37 HydrophobicContact CB-CG 4.2Å; W11-P37 HydrophobicContact CD2-CB 3.96Å; W11-P37 HydrophobicContact CD2-CG 3.62Å; W11-P37 HydrophobicContact CE3-CB 4.34Å; W11-P37 HydrophobicContact CE3-CG 3.92Å; W11-P37 HydrophobicContact CG-CB 4.38Å; W11-P37 HydrophobicContact CG-CG 3.75Å; W11-P37 HydrophobicContact CH2-CB 4.45Å; W11-P37 HydrophobicContact CZ2-CB 4.06Å; W11-Y42 CarbonylContact O-C 3.57Å; W11-Y42 WeakPolarHBondContact O-CA 3.42Å; W11-Y42 WeakPolarHBondContact O-CB 3.47Å; W11-K43 PolarHBondContact O-N 3.45Å |
| 12 | V | 90.9 | Very high | 71 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.6 | 173.7 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | L14 Y24 I25 L27 K43 I82 | V12-L14 HydrophobicContact CG1-CD2 3.67Å; V12-L14 HydrophobicContact CG1-CG 4.27Å; V12-Y24 WeakPolarHBondContact O-CA 3.26Å; V12-I25 PolarHBondContact N-O 3.13Å; V12-I25 PolarHBondContact O-N 2.61Å; V12-L27 HydrophobicContact CG2-CD1 3.66Å; V12-L27 HydrophobicContact CG2-CD2 4.42Å; V12-L27 HydrophobicContact CG2-CG 3.91Å; V12-K43 HydrophobicContact CG1-CB 4.4Å; V12-K43 HydrophobicContact CG2-CB 4.12Å; V12-I82 HydrophobicContact CG1-CD1 3.86Å; V12-I82 HydrophobicContact CG1-CG1 4.25Å; V12-I82 HydrophobicContact CG1-CG2 4.3Å |
| 13 | Q | 90.2 | Very high | 74 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 11% | 0.112 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.1 | 171.2 | -166.9 | -169.8 | 46.9 | 0 | 0 | 109.6 | L22 M23 Y24 Y42 K43 V45 Q49 | Q13-L22 HydrophobicContact CG-CD2 4.06Å; Q13-M23 CarbonylContact C-O 3.15Å; Q13-M23 WeakPolarHBondContact CA-O 3.44Å; Q13-Y24 HydrophobicContact CB-CD1 4.01Å; Q13-Y24 HydrophobicContact CB-CE1 3.89Å; Q13-Y24 HydrophobicContact CG-CD1 4.03Å; Q13-Y24 HydrophobicContact CG-CE1 3.55Å; Q13-Y24 PolarHBondContact NE2-OH 2.84Å; Q13-Y42 HydrophobicContact CB-CD2 4.01Å; Q13-Y42 HydrophobicContact CB-CE2 4.37Å; Q13-K43 VanDerWaalsContact CB-O 3.3Å; Q13-K43 WeakPolarHBondContact CB-O 3.3Å; Q13-K43 PolarHBondContact N-O 2.77Å; Q13-V45 HydrophobicContact CB-CG2 4.16Å; Q13-V45 HydrophobicContact CG-CG2 3.86Å; Q13-V45 WeakPolarHBondContact O-CG2 3.09Å; Q13-Q49 PolarHBondContact O-NE2 3.07Å |
| 14 | L | 90.5 | Very high | 76.4 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159.6 | -174.5 | -56.9 | 177.6 | 0 | 0 | 0 | 109.8 | V12 L22 M23 I25 Q49 W51 I82 L84 | V12-L14 HydrophobicContact CG1-CD2 3.67Å; V12-L14 HydrophobicContact CG1-CG 4.27Å; L14-L22 WeakPolarHBondContact O-CA 3.24Å; L14-M23 HydrophobicContact CB-CG 3.93Å; L14-M23 PolarHBondContact N-O 3.13Å; L14-M23 PolarHBondContact O-N 3.36Å; L14-I25 HydrophobicContact CD1-CB 4.18Å; L14-I25 HydrophobicContact CD1-CD1 3.54Å; L14-I25 HydrophobicContact CD1-CG1 3.83Å; L14-Q49 VanDerWaalsContact CD2-OE1 3.29Å; L14-W51 HydrophobicContact CB-CH2 4.36Å; L14-W51 HydrophobicContact CB-CZ2 3.75Å; L14-W51 HydrophobicContact CD1-CZ2 4.37Å; L14-W51 HydrophobicContact CD2-CZ2 4.33Å; L14-W51 HydrophobicContact CG-CZ2 4.38Å; L14-I82 HydrophobicContact CD2-CG1 4.16Å; L14-I82 HydrophobicContact CD2-CG2 4.36Å; L14-L84 HydrophobicContact CD1-CD1 4.04Å; L14-L84 HydrophobicContact CD1-CD2 4.29Å |
| 15 | V | 87.4 | Confident | 78.7 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.7 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | P17 L22 V45 W51 | V15-P17 WeakPolarHBondContact O-CD 3.46Å; V15-L22 HydrophobicContact CG2-CD2 4.02Å; V15-V45 HydrophobicContact CG2-CG1 4Å; V15-V45 HydrophobicContact CG2-CG2 4.01Å; V15-W51 VanDerWaalsContact O-CH2 3.22Å; V15-W51 WeakPolarHBondContact O-CH2 3.23Å; V15-W51 WeakPolarHBondContact O-CZ2 3.32Å |
| 16 | D | 83.8 | Confident | 80.7 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | trans | -63.8 | 120.8 | 177 | 167.6 | 26.2 | 0 | 0 | 0 | 111.2 | K18 S19 Q20 Q21 M23 | D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 VanDerWaalsContact O-N 3.08Å; D16-K18 WeakPolarHBondContact OD1-CB 3.43Å; D16-K18 PolarHBondContact OD1-N 2.96Å; D16-S19 VanDerWaalsContact OD2-CB 3.22Å; D16-S19 WeakPolarHBondContact OD2-CB 3.28Å; D16-S19 PolarHBondContact OD2-N 3.25Å; D16-S19 PolarHBondContact OD2-OG 3.24Å; D16-Q20 WeakPolarHBondContact O-CA 3.43Å; D16-Q20 PolarHBondContact O-N 3.34Å; D16-Q20 PolarHBondContact O-NE2 3.16Å; D16-Q21 PolarHBondContact N-O 3.25Å; D16-M23 HydrophobicContact CB-SD 4.31Å | ||
| 17 | P | 77.6 | Confident | 82.3 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 0.5 | 178.7 | 30.6 | -37.7 | 0 | 0 | 0 | 114.2 | V15 W51 Y64 R683 | V15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-W51 HydrophobicContact CG-CH2 4.38Å; P17-W51 HydrophobicContact CG-CZ3 4.27Å; P17-Y64 HydrophobicContact CB-CE1 3.89Å; P17-Y64 WeakPolarHBondContact CB-OH 3.27Å; P17-Y64 HydrophobicContact CG-CE1 4.24Å; P17-R683 PolarHBondContact O-NH1 3.37Å |
| 18 | K | 75.5 | Confident | 83.7 | Confident | 165 Ų | 165 | 59.3 Ų | 59.3 | 72% | 0.717 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -58.3 | 168.6 | -71.5 | 178.5 | 177.9 | 177 | 0 | 112.7 | D16 | D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 VanDerWaalsContact O-N 3.08Å; D16-K18 WeakPolarHBondContact OD1-CB 3.43Å; D16-K18 PolarHBondContact OD1-N 2.96Å |
| 19 | S | 83.1 | Confident | 84.8 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -14.5 | -174.9 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | D16 Q21 | D16-S19 VanDerWaalsContact OD2-CB 3.22Å; D16-S19 WeakPolarHBondContact OD2-CB 3.28Å; D16-S19 PolarHBondContact OD2-N 3.25Å; D16-S19 PolarHBondContact OD2-OG 3.24Å; S19-Q21 PolarHBondContact O-N 3.2Å; S19-Q21 VanDerWaalsContact O-N 3.16Å; S19-Q21 WeakPolarHBondContact OG-CB 3.32Å; S19-Q21 PolarHBondContact OG-N 3.13Å |
| 20 | Q | 82.1 | Confident | 85.3 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | trans | 57.4 | 17.1 | -169 | -53 | -73.7 | -112.6 | 0 | 0 | 113.9 | D16 | D16-Q20 WeakPolarHBondContact O-CA 3.43Å; D16-Q20 PolarHBondContact O-N 3.34Å; D16-Q20 PolarHBondContact O-NE2 3.16Å | ||
| 21 | Q | 83.6 | Confident | 85.4 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | trans | -83.4 | 151.3 | 172.4 | -63.4 | -176.1 | -24.7 | 0 | 0 | 110.7 | D16 S19 | D16-Q21 PolarHBondContact N-O 3.25Å; S19-Q21 PolarHBondContact O-N 3.2Å; S19-Q21 VanDerWaalsContact O-N 3.16Å; S19-Q21 WeakPolarHBondContact OG-CB 3.32Å; S19-Q21 PolarHBondContact OG-N 3.13Å | ||
| 22 | L | 86.1 | Confident | 85.3 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.6 | 171 | -67 | 166.2 | 0 | 0 | 0 | 110.1 | Q13 L14 V15 V45 | Q13-L22 HydrophobicContact CG-CD2 4.06Å; L14-L22 WeakPolarHBondContact O-CA 3.24Å; V15-L22 HydrophobicContact CG2-CD2 4.02Å; L22-V45 HydrophobicContact CD2-CG2 3.86Å |
| 23 | M | 90.1 | Very high | 85 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.5 | 171.9 | 67.1 | -178.3 | -59.7 | 0 | 0 | 110.1 | Q13 L14 D16 I25 C32 S33 | Q13-M23 CarbonylContact C-O 3.15Å; Q13-M23 WeakPolarHBondContact CA-O 3.44Å; L14-M23 HydrophobicContact CB-CG 3.93Å; L14-M23 PolarHBondContact N-O 3.13Å; L14-M23 PolarHBondContact O-N 3.36Å; D16-M23 HydrophobicContact CB-SD 4.31Å; M23-I25 HydrophobicContact CE-CD1 3.79Å; M23-I25 HydrophobicContact CE-CG1 3.86Å; M23-C32 HydrophobicContact CE-CB 4.04Å; M23-S33 WeakPolarHBondContact CA-O 3.14Å |
| 24 | Y | 91.4 | Very high | 84.8 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.5 | -179.6 | -56.8 | -93.1 | 0 | 0 | 0 | 108.4 | V12 Q13 C32 S33 R34 D35 P36 Y42 | V12-Y24 WeakPolarHBondContact O-CA 3.26Å; Q13-Y24 HydrophobicContact CB-CD1 4.01Å; Q13-Y24 HydrophobicContact CB-CE1 3.89Å; Q13-Y24 HydrophobicContact CG-CD1 4.03Å; Q13-Y24 HydrophobicContact CG-CE1 3.55Å; Q13-Y24 PolarHBondContact NE2-OH 2.84Å; Y24-C32 CarbonylContact O-C 3.59Å; Y24-C32 VanDerWaalsContact O-CA 3.31Å; Y24-C32 WeakPolarHBondContact O-CA 3.43Å; Y24-S33 PolarHBondContact N-O 3.47Å; Y24-S33 PolarHBondContact O-N 3.17Å; Y24-R34 WeakPolarHBondContact CE2-O 3.41Å; Y24-D35 WeakPolarHBondContact CD2-O 3.42Å; Y24-P36 HydrophobicContact CE1-CB 4.09Å; Y24-P36 HydrophobicContact CE2-CB 4.01Å; Y24-Y42 HydrophobicContact CD1-CD1 4.33Å; Y24-Y42 HydrophobicContact CD1-CD2 4.2Å; Y24-Y42 HydrophobicContact CD1-CE2 4.49Å; Y24-Y42 HydrophobicContact CD1-CG 4.12Å; Y24-Y42 HydrophobicContact CE1-CD1 4.21Å; Y24-Y42 AromaticContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CE1 4.05Å; Y24-Y42 AromaticContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CG 4.13Å; Y24-Y42 AromaticContact CE1-CZ 3.81Å |
| 25 | I | 89.5 | Confident | 84.5 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134 | 176.4 | -63.6 | -169.4 | 0 | 0 | 0 | 109.8 | W11 V12 L14 M23 E31 C32 I87 | W11-I25 CarbonylContact C-O 3.56Å; W11-I25 WeakPolarHBondContact CA-O 3.33Å; W11-I25 VanDerWaalsContact CE3-C 3.48Å; V12-I25 PolarHBondContact N-O 3.13Å; V12-I25 PolarHBondContact O-N 2.61Å; L14-I25 HydrophobicContact CD1-CB 4.18Å; L14-I25 HydrophobicContact CD1-CD1 3.54Å; L14-I25 HydrophobicContact CD1-CG1 3.83Å; M23-I25 HydrophobicContact CE-CD1 3.79Å; M23-I25 HydrophobicContact CE-CG1 3.86Å; I25-E31 WeakPolarHBondContact CA-O 3.4Å; I25-C32 HydrophobicContact CG1-CB 4.08Å; I25-I87 HydrophobicContact CG2-CD1 3.74Å |
| 26 | N | 89.1 | Confident | 84.3 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 8% | 0.08 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120 | 168.7 | -173.7 | -48.1 | 0 | 0 | 0 | 109.8 | D10 W11 K28 S29 G30 E31 | D10-N26 CarbonylContact O-C 3.55Å; D10-N26 VanDerWaalsContact O-CA 3.25Å; D10-N26 WeakPolarHBondContact O-CA 3.3Å; D10-N26 PolarHBondContact O-OD1 3.37Å; W11-N26 HydrophobicContact CD2-CB 3.82Å; W11-N26 HydrophobicContact CE3-CB 3.86Å; W11-N26 HydrophobicContact CH2-CB 3.94Å; W11-N26 HydrophobicContact CZ2-CB 3.91Å; W11-N26 HydrophobicContact CZ3-CB 3.92Å; W11-N26 PolarHBondContact NE1-ND2 2.81Å; N26-K28 VanDerWaalsContact C-N 3.26Å; N26-K28 PolarHBondContact O-N 3.05Å; N26-K28 WeakPolarHBondContact OD1-CA 3.06Å; N26-K28 WeakPolarHBondContact OD1-CB 3.45Å; N26-K28 PolarHBondContact OD1-N 3.22Å; N26-S29 WeakPolarHBondContact CB-OG 3.48Å; N26-S29 PolarHBondContact ND2-OG 2.92Å; N26-S29 PolarHBondContact OD1-N 3.08Å; N26-S29 PolarHBondContact OD1-OG 3.05Å; N26-G30 WeakPolarHBondContact O-CA 3.39Å; N26-G30 PolarHBondContact O-N 3.28Å; N26-E31 HydrophobicContact CB-CB 4.37Å; N26-E31 PolarHBondContact N-O 3.15Å |
| 27 | L | 84.7 | Confident | 84.2 | Confident | 39 Ų | 39 | 71 Ų | 71 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.2 | -176.2 | -65.2 | -175 | 0 | 0 | 0 | 114.1 | F6 D10 V12 I82 L84 I87 | F6-L27 HydrophobicContact CD1-CD1 3.92Å; F6-L27 HydrophobicContact CE1-CD1 4.41Å; D10-L27 PolarHBondContact O-N 3.47Å; V12-L27 HydrophobicContact CG2-CD1 3.66Å; V12-L27 HydrophobicContact CG2-CD2 4.42Å; V12-L27 HydrophobicContact CG2-CG 3.91Å; L27-I82 HydrophobicContact CD1-CG2 4.48Å; L27-I82 HydrophobicContact CD2-CG2 3.88Å; L27-L84 HydrophobicContact CD2-CD2 4.08Å; L27-I87 HydrophobicContact CD2-CD1 3.82Å |
| 28 | K | 81.6 | Confident | 84.3 | Confident | 140 Ų | 140 | 78.7 Ų | 78.7 | 61% | 0.609 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -46.2 | 178.6 | -64.1 | 179.3 | -175.3 | 164.5 | 0 | 112.5 | D10 N26 | D10-K28 VanDerWaalsContact CG-CE 3.49Å; D10-K28 WeakPolarHBondContact OD1-CE 3.3Å; D10-K28 IonicContact OD1-NZ 2.67Å; D10-K28 PolarHBondContact OD1-NZ 3.27Å; D10-K28 WeakPolarHBondContact OD2-CD 3.43Å; D10-K28 WeakPolarHBondContact OD2-CE 3.47Å; D10-K28 IonicContact OD2-NZ 2.79Å; D10-K28 PolarHBondContact OD2-NZ 3.09Å; N26-K28 VanDerWaalsContact C-N 3.26Å; N26-K28 PolarHBondContact O-N 3.05Å; N26-K28 WeakPolarHBondContact OD1-CA 3.06Å; N26-K28 WeakPolarHBondContact OD1-CB 3.45Å; N26-K28 PolarHBondContact OD1-N 3.22Å |
| 29 | S | 81.3 | Confident | 84.4 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 43% | 0.427 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -21.3 | -179 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | N26 E31 | N26-S29 WeakPolarHBondContact CB-OG 3.48Å; N26-S29 PolarHBondContact ND2-OG 2.92Å; N26-S29 PolarHBondContact OD1-N 3.08Å; N26-S29 PolarHBondContact OD1-OG 3.05Å; S29-E31 VanDerWaalsContact CB-OE2 3.27Å; S29-E31 WeakPolarHBondContact CB-OE2 3.13Å; S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 WeakPolarHBondContact OG-CB 3.28Å; S29-E31 WeakPolarHBondContact OG-CG 3.48Å; S29-E31 PolarHBondContact OG-N 3.25Å; S29-E31 PolarHBondContact OG-OE2 3.09Å |
| 30 | G | 83.2 | Confident | 84.1 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | 74.9 | 7.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N26 Q91 | N26-G30 WeakPolarHBondContact O-CA 3.39Å; N26-G30 PolarHBondContact O-N 3.28Å; G30-Q91 PolarHBondContact O-NE2 3.13Å | ||
| 31 | E | 82.4 | Confident | 83.9 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | trans | -65.6 | 144.6 | 174.3 | -68.3 | 167.5 | 122.5 | 0 | 0 | 111.2 | W11 I25 N26 S29 | W11-E31 HydrophobicContact CH2-CB 4.14Å; I25-E31 WeakPolarHBondContact CA-O 3.4Å; N26-E31 HydrophobicContact CB-CB 4.37Å; N26-E31 PolarHBondContact N-O 3.15Å; S29-E31 VanDerWaalsContact CB-OE2 3.27Å; S29-E31 WeakPolarHBondContact CB-OE2 3.13Å; S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 WeakPolarHBondContact OG-CB 3.28Å; S29-E31 WeakPolarHBondContact OG-CG 3.48Å; S29-E31 PolarHBondContact OG-N 3.25Å; S29-E31 PolarHBondContact OG-OE2 3.09Å | ||
| 32 | C | 86.5 | Confident | 84 | Confident | 79 Ų | 79 | 82.9 Ų | 82.9 | 53% | 0.534 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.8 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | M23 Y24 I25 | M23-C32 HydrophobicContact CE-CB 4.04Å; Y24-C32 CarbonylContact O-C 3.59Å; Y24-C32 VanDerWaalsContact O-CA 3.31Å; Y24-C32 WeakPolarHBondContact O-CA 3.43Å; I25-C32 HydrophobicContact CG1-CB 4.08Å |
| 33 | S | 86.4 | Confident | 84 | Confident | 40 Ų | 40 | 80.7 Ų | 80.7 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154.9 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | M23 Y24 D35 | M23-S33 WeakPolarHBondContact CA-O 3.14Å; Y24-S33 PolarHBondContact N-O 3.47Å; Y24-S33 PolarHBondContact O-N 3.17Å; S33-D35 WeakPolarHBondContact CB-O 3.21Å; S33-D35 PolarHBondContact OG-N 3.4Å; S33-D35 VanDerWaalsContact OG-N 3.12Å; S33-D35 PolarHBondContact OG-O 2.95Å |
| 34 | R | 84.2 | Confident | 83.8 | Confident | 178 Ų | 178 | 81.3 Ų | 81.3 | 67% | 0.672 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -89.5 | -35.6 | 164.7 | -70.9 | -175.6 | 174.5 | -174.6 | -4.3 | 111.7 | Y24 | Y24-R34 WeakPolarHBondContact CE2-O 3.41Š|
| 35 | D | 85.1 | Confident | 83.5 | Confident | 121 Ų | 121 | 82.5 Ų | 82.5 | 65% | 0.647 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -84.6 | 145.4 | 177.8 | -56.1 | -55.3 | 0 | 0 | 0 | 110.9 | Y24 S33 | Y24-D35 WeakPolarHBondContact CD2-O 3.42Å; S33-D35 WeakPolarHBondContact CB-O 3.21Å; S33-D35 PolarHBondContact OG-N 3.4Å; S33-D35 VanDerWaalsContact OG-N 3.12Å; S33-D35 PolarHBondContact OG-O 2.95Å |
| 36 | P | 82.8 | Confident | 83.2 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | trans | -62.2 | 131.5 | 178.5 | 23.9 | -32.8 | 0 | 0 | 0 | 111.3 | Y24 K38 Y42 | Y24-P36 HydrophobicContact CE1-CB 4.09Å; Y24-P36 HydrophobicContact CE2-CB 4.01Å; P36-K38 PolarHBondContact O-N 2.7Å; P36-K38 VanDerWaalsContact O-N 3.09Å; P36-Y42 HydrophobicContact CB-CE1 4.27Å | ||
| 37 | P | 81.1 | Confident | 82.7 | Confident | 21 Ų | 21 | 87.7 Ų | 87.7 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | trans | -67.2 | 109.2 | -177.1 | 26.1 | -34.5 | 0 | 0 | 0 | 111.4 | W11 N39 T40 Y42 | W11-P37 HydrophobicContact CB-CG 4.2Å; W11-P37 HydrophobicContact CD2-CB 3.96Å; W11-P37 HydrophobicContact CD2-CG 3.62Å; W11-P37 HydrophobicContact CE3-CB 4.34Å; W11-P37 HydrophobicContact CE3-CG 3.92Å; W11-P37 HydrophobicContact CG-CB 4.38Å; W11-P37 HydrophobicContact CG-CG 3.75Å; W11-P37 HydrophobicContact CH2-CB 4.45Å; W11-P37 HydrophobicContact CZ2-CB 4.06Å; P37-N39 PolarHBondContact O-N 3.32Å; P37-T40 WeakPolarHBondContact CB-OG1 3.31Å; P37-T40 VanDerWaalsContact CG-OG1 3.28Å; P37-T40 WeakPolarHBondContact CG-OG1 3.36Å; P37-T40 PolarHBondContact O-N 3.47Å; P37-T40 PolarHBondContact O-OG1 3.35Å; P37-Y42 HydrophobicContact CG-CD1 4.49Å | ||
| 38 | K | 80 | Confident | 82.8 | Confident | 192 Ų | 192 | 89.3 Ų | 89.3 | 84% | 0.835 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 132.7 | -173 | -63.3 | -178 | -179.2 | -179.9 | 0 | 112.3 | P36 T40 | P36-K38 PolarHBondContact O-N 2.7Å; P36-K38 VanDerWaalsContact O-N 3.09Å; K38-T40 PolarHBondContact O-N 3.26Å; K38-T40 VanDerWaalsContact O-N 3.16Å |
| 39 | N | 78 | Confident | 83.2 | Confident | 178 Ų | 178 | 82.6 Ų | 82.6 | 95% | 0.952 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 17.6 | 176.8 | -59.1 | -2.7 | 0 | 0 | 0 | 116.1 | P37 | P37-N39 PolarHBondContact O-N 3.32Š|
| 40 | T | 76 | Confident | 83.8 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | trans | -112.6 | 146.2 | 176.2 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | P37 K38 | P37-T40 WeakPolarHBondContact CB-OG1 3.31Å; P37-T40 VanDerWaalsContact CG-OG1 3.28Å; P37-T40 WeakPolarHBondContact CG-OG1 3.36Å; P37-T40 PolarHBondContact O-N 3.47Å; P37-T40 PolarHBondContact O-OG1 3.35Å; K38-T40 PolarHBondContact O-N 3.26Å; K38-T40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | K | 79.6 | Confident | 84.2 | Confident | 173 Ų | 173 | 81.2 Ų | 81.2 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | trans | -81.1 | 121.9 | 172.8 | -67.7 | -178 | 179.7 | 178.9 | 0 | 109.2 | Y9 | Y9-K41 HydrophobicContact CD1-CB 4.11Å; Y9-K41 HydrophobicContact CE1-CB 4.17Å | ||
| 42 | Y | 85.5 | Confident | 84.8 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 153.3 | 173.1 | 57.7 | -96 | 0 | 0 | 0 | 111.4 | W11 Q13 Y24 P36 P37 | W11-Y42 CarbonylContact O-C 3.57Å; W11-Y42 WeakPolarHBondContact O-CA 3.42Å; W11-Y42 WeakPolarHBondContact O-CB 3.47Å; Q13-Y42 HydrophobicContact CB-CD2 4.01Å; Q13-Y42 HydrophobicContact CB-CE2 4.37Å; Y24-Y42 HydrophobicContact CD1-CD1 4.33Å; Y24-Y42 HydrophobicContact CD1-CD2 4.2Å; Y24-Y42 HydrophobicContact CD1-CE2 4.49Å; Y24-Y42 HydrophobicContact CD1-CG 4.12Å; Y24-Y42 HydrophobicContact CE1-CD1 4.21Å; Y24-Y42 AromaticContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CE1 4.05Å; Y24-Y42 AromaticContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CG 4.13Å; Y24-Y42 AromaticContact CE1-CZ 3.81Å; P36-Y42 HydrophobicContact CB-CE1 4.27Å; P37-Y42 HydrophobicContact CG-CD1 4.49Å |
| 43 | K | 86.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.1 | 169.9 | -163.9 | 178 | -165.6 | 178.6 | 0 | 109.1 | F6 Y9 W11 V12 Q13 D80 | F6-K43 HydrophobicContact CE1-CD 4.48Å; Y9-K43 HydrophobicContact CD2-CB 4.37Å; Y9-K43 HydrophobicContact CG-CB 4.14Å; W11-K43 PolarHBondContact O-N 3.45Å; V12-K43 HydrophobicContact CG1-CB 4.4Å; V12-K43 HydrophobicContact CG2-CB 4.12Å; Q13-K43 VanDerWaalsContact CB-O 3.3Å; Q13-K43 WeakPolarHBondContact CB-O 3.3Å; Q13-K43 PolarHBondContact N-O 2.77Å; K43-D80 WeakPolarHBondContact CE-OD2 3.12Å; K43-D80 IonicContact NZ-OD1 2.9Å; K43-D80 PolarHBondContact NZ-OD1 3.16Å; K43-D80 IonicContact NZ-OD2 3.5Å; K43-D80 PolarHBondContact NZ-OD2 2.8Å |
| 44 | A | 84.5 | Confident | 85.4 | Confident | 56 Ų | 56 | 74.6 Ų | 74.6 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 161.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 45 | V | 85.1 | Confident | 85.7 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 26% | 0.255 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 138.2 | 169.9 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | Q13 V15 L22 | Q13-V45 HydrophobicContact CB-CG2 4.16Å; Q13-V45 HydrophobicContact CG-CG2 3.86Å; Q13-V45 WeakPolarHBondContact O-CG2 3.09Å; V15-V45 HydrophobicContact CG2-CG1 4Å; V15-V45 HydrophobicContact CG2-CG2 4.01Å; L22-V45 HydrophobicContact CD2-CG2 3.86Å |
| 46 | S | 83.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | trans | -124.3 | 153.1 | 170.5 | 79.7 | 0 | 0 | 0 | 0 | 110.3 | N48 Q49 | S46-N48 PolarHBondContact O-N 3.17Å; S46-Q49 WeakPolarHBondContact O-CB 3.35Å; S46-Q49 PolarHBondContact O-N 3Å; S46-Q49 VanDerWaalsContact O-N 3.11Å; S46-Q49 PolarHBondContact OG-N 3.15Å | ||
| 47 | P | 78.8 | Confident | 85.6 | Confident | 106 Ų | 106 | 71.6 Ų | 71.6 | 69% | 0.688 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.7 | 177.9 | 26.3 | -34.6 | 0 | 0 | 0 | 112.7 | N65 | P47-N65 PolarHBondContact O-ND2 3.11Š|
| 48 | N | 86.6 | Confident | 85.8 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 23.7 | 176.5 | -167.7 | 22.1 | 0 | 0 | 0 | 112.3 | S46 W50 D78 D80 | S46-N48 PolarHBondContact O-N 3.17Å; N48-W50 VanDerWaalsContact O-CD1 3.25Å; N48-W50 PolarHBondContact OD1-NE1 3Å; N48-W50 VanDerWaalsContact OD1-NE1 3.08Å; N48-D78 PolarHBondContact ND2-O 3.16Å; N48-D80 WeakPolarHBondContact O-CB 3.32Å; N48-D80 PolarHBondContact O-N 2.89Å |
| 49 | Q | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.6 | 174.9 | -170 | -172.1 | 80.4 | 0 | 0 | 110.2 | Q13 L14 S46 D80 I82 | Q13-Q49 PolarHBondContact O-NE2 3.07Å; L14-Q49 VanDerWaalsContact CD2-OE1 3.29Å; S46-Q49 WeakPolarHBondContact O-CB 3.35Å; S46-Q49 PolarHBondContact O-N 3Å; S46-Q49 VanDerWaalsContact O-N 3.11Å; S46-Q49 PolarHBondContact OG-N 3.15Å; Q49-D80 WeakPolarHBondContact CA-O 3.32Å; Q49-I82 HydrophobicContact CG-CD1 3.92Å; Q49-I82 HydrophobicContact CG-CG1 3.6Å |
| 50 | W | 92.6 | Very high | 86.6 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 9% | 0.087 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.8 | 178.5 | -68.7 | 84.9 | 0 | 0 | 0 | 110.5 | N48 Y64 N65 E70 V72 P76 D80 I81 I82 | N48-W50 VanDerWaalsContact O-CD1 3.25Å; N48-W50 PolarHBondContact OD1-NE1 3Å; N48-W50 VanDerWaalsContact OD1-NE1 3.08Å; W50-Y64 CarbonylContact C-O 3.6Å; W50-N65 HydrophobicContact CD2-CB 3.76Å; W50-N65 HydrophobicContact CE3-CB 3.66Å; W50-N65 HydrophobicContact CG-CB 4.47Å; W50-N65 HydrophobicContact CH2-CB 3.82Å; W50-N65 HydrophobicContact CZ2-CB 3.92Å; W50-N65 HydrophobicContact CZ3-CB 3.69Å; W50-E70 HydrophobicContact CH2-CB 3.98Å; W50-E70 HydrophobicContact CZ3-CB 4.34Å; W50-V72 HydrophobicContact CE3-CG2 4.34Å; W50-V72 HydrophobicContact CH2-CG2 4.38Å; W50-V72 HydrophobicContact CZ3-CG2 3.82Å; W50-P76 HydrophobicContact CD2-CB 4.26Å; W50-P76 HydrophobicContact CD2-CG 3.55Å; W50-P76 HydrophobicContact CE3-CG 3.8Å; W50-P76 HydrophobicContact CG-CB 4.37Å; W50-P76 HydrophobicContact CG-CG 3.87Å; W50-P76 HydrophobicContact CZ2-CG 4.32Å; W50-P76 HydrophobicContact CZ3-CG 4.31Å; W50-D80 PolarHBondContact N-O 3.33Å; W50-I81 HydrophobicContact CB-CG1 3.85Å; W50-I81 CarbonylContact O-C 3.52Å; W50-I81 WeakPolarHBondContact O-CA 3.45Å; W50-I82 PolarHBondContact O-N 3.07Å |
| 51 | W | 92.5 | Very high | 87.4 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.8 | 179.8 | -60.1 | 11.9 | 0 | 0 | 0 | 108.7 | L14 V15 P17 L53 Y63 Y64 L84 | L14-W51 HydrophobicContact CB-CH2 4.36Å; L14-W51 HydrophobicContact CB-CZ2 3.75Å; L14-W51 HydrophobicContact CD1-CZ2 4.37Å; L14-W51 HydrophobicContact CD2-CZ2 4.33Å; L14-W51 HydrophobicContact CG-CZ2 4.38Å; V15-W51 VanDerWaalsContact O-CH2 3.22Å; V15-W51 WeakPolarHBondContact O-CH2 3.23Å; V15-W51 WeakPolarHBondContact O-CZ2 3.32Å; P17-W51 HydrophobicContact CG-CH2 4.38Å; P17-W51 HydrophobicContact CG-CZ3 4.27Å; W51-L53 HydrophobicContact CB-CD1 4.39Å; W51-L53 HydrophobicContact CB-CG 4.32Å; W51-L53 HydrophobicContact CE3-CD1 4.49Å; W51-L53 PolarHBondContact O-N 3.17Å; W51-Y63 WeakPolarHBondContact O-CA 3.07Å; W51-Y64 WeakPolarHBondContact CB-O 3.36Å; W51-Y64 HydrophobicContact CD2-CD1 4.44Å; W51-Y64 HydrophobicContact CE3-CD1 4.37Å; W51-Y64 PolarHBondContact N-O 2.96Å; W51-Y64 PolarHBondContact O-N 2.78Å; W51-L84 HydrophobicContact CB-CD1 4.01Å; W51-L84 HydrophobicContact CD2-CD1 3.7Å; W51-L84 HydrophobicContact CE3-CD1 3.63Å; W51-L84 HydrophobicContact CG-CD1 3.86Å; W51-L84 HydrophobicContact CZ3-CD1 4.34Å |
| 52 | E | 94.3 | Very high | 88.1 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 117.7 | 170.4 | -178.4 | 167.9 | -124.3 | 0 | 0 | 109.4 | N61 Y63 I81 I82 L84 A85 | E52-N61 HydrophobicContact CG-CB 4.19Å; E52-N61 WeakPolarHBondContact CG-ND2 3.44Å; E52-N61 PolarHBondContact OE1-ND2 3.06Å; E52-Y63 HydrophobicContact CB-CD1 3.89Å; E52-Y63 HydrophobicContact CB-CE1 3.63Å; E52-Y63 HydrophobicContact CG-CD1 4.2Å; E52-Y63 HydrophobicContact CG-CE1 3.54Å; E52-Y63 VanDerWaalsContact OE1-CE1 3.26Å; E52-Y63 WeakPolarHBondContact OE1-CE1 3.41Å; E52-Y63 VanDerWaalsContact OE1-CZ 3.3Å; E52-Y63 PolarHBondContact OE1-OH 3.19Å; E52-I81 HydrophobicContact CB-CG2 3.82Å; E52-I82 PolarHBondContact N-O 3.46Å; E52-L84 CarbonylContact O-C 3.6Å; E52-L84 WeakPolarHBondContact O-CA 3.24Å; E52-L84 PolarHBondContact O-N 3.34Å; E52-A85 HydrophobicContact CG-CB 4.36Å; E52-A85 PolarHBondContact O-N 3.23Å |
| 53 | L | 93.3 | Very high | 88.6 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 153.2 | -176.7 | -65.7 | 170.5 | 0 | 0 | 0 | 109.7 | W51 N61 Y62 L84 | W51-L53 HydrophobicContact CB-CD1 4.39Å; W51-L53 HydrophobicContact CB-CG 4.32Å; W51-L53 HydrophobicContact CE3-CD1 4.49Å; W51-L53 PolarHBondContact O-N 3.17Å; L53-N61 CarbonylContact O-C 3.48Å; L53-N61 VanDerWaalsContact O-CA 3.23Å; L53-N61 WeakPolarHBondContact O-CA 3.35Å; L53-Y62 HydrophobicContact CB-CD1 4.21Å; L53-Y62 HydrophobicContact CB-CD2 4.32Å; L53-Y62 HydrophobicContact CB-CE1 3.69Å; L53-Y62 HydrophobicContact CB-CE2 3.83Å; L53-Y62 VanDerWaalsContact CB-CZ 3.49Å; L53-Y62 HydrophobicContact CD1-CE2 3.76Å; L53-Y62 HydrophobicContact CG-CE2 4.4Å; L53-Y62 PolarHBondContact N-O 3.33Å; L53-Y62 PolarHBondContact O-N 3.45Å; L53-L84 HydrophobicContact CD2-CB 3.84Å; L53-L84 HydrophobicContact CD2-CD1 4.48Å |
| 54 | F | 92.6 | Very high | 88.9 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.9 | -178.3 | -171.3 | -95.5 | 0 | 0 | 0 | 111 | V56 Q59 N61 A85 Q88 | F54-V56 HydrophobicContact CD1-CG2 4.06Å; F54-V56 HydrophobicContact CE1-CG2 4.37Å; F54-Q59 HydrophobicContact CZ-CB 4.33Å; F54-N61 WeakPolarHBondContact CD2-OD1 3.43Å; F54-A85 HydrophobicContact CB-CB 4.25Å; F54-Q88 PolarHBondContact O-NE2 2.67Å |
| 55 | D | 91.1 | Very high | 89.2 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.8 | 167.8 | -170.2 | -16.8 | 0 | 0 | 0 | 110 | K57 V58 Q59 R60 Y62 W73 | D55-K57 VanDerWaalsContact C-N 3.27Å; D55-K57 PolarHBondContact O-N 2.93Å; D55-K57 WeakPolarHBondContact OD1-CB 3.4Å; D55-K57 PolarHBondContact OD1-N 2.73Å; D55-V58 HydrophobicContact CB-CB 4.34Å; D55-V58 PolarHBondContact O-N 2.82Å; D55-Q59 WeakPolarHBondContact O-CA 3.03Å; D55-Q59 PolarHBondContact O-N 2.92Å; D55-R60 PolarHBondContact N-O 3.34Å; D55-R60 PolarHBondContact O-N 3.2Å; D55-Y62 HydrophobicContact CB-CD1 4.05Å; D55-Y62 HydrophobicContact CB-CE1 4.19Å; D55-W73 HydrophobicContact CB-CH2 3.95Å; D55-W73 HydrophobicContact CB-CZ3 4.22Å |
| 56 | V | 85.6 | Confident | 89 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.3 | 179.2 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | F54 Q59 | F54-V56 HydrophobicContact CD1-CG2 4.06Å; F54-V56 HydrophobicContact CE1-CG2 4.37Å; V56-Q59 PolarHBondContact O-NE2 3.47Å |
| 57 | K | 79.3 | Confident | 89 | Confident | 196 Ų | 196 | 55.6 Ų | 55.6 | 85% | 0.852 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -40.6 | 177.1 | -63.5 | -176.8 | 176.2 | -175.3 | 0 | 112.3 | D55 | D55-K57 VanDerWaalsContact C-N 3.27Å; D55-K57 PolarHBondContact O-N 2.93Å; D55-K57 WeakPolarHBondContact OD1-CB 3.4Å; D55-K57 PolarHBondContact OD1-N 2.73Å |
| 58 | V | 85.4 | Confident | 89.4 | Confident | 80 Ų | 80 | 54 Ų | 54 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -9.7 | -176.3 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | D55 R60 W73 | D55-V58 HydrophobicContact CB-CB 4.34Å; D55-V58 PolarHBondContact O-N 2.82Å; V58-R60 HydrophobicContact CG1-CB 4.14Å; V58-R60 PolarHBondContact O-N 3.02Å; V58-W73 HydrophobicContact CB-CH2 4.02Å; V58-W73 HydrophobicContact CB-CZ3 4.24Å; V58-W73 HydrophobicContact CG1-CH2 4.23Å; V58-W73 HydrophobicContact CG1-CZ3 4.21Å; V58-W73 HydrophobicContact CG2-CH2 3.86Å; V58-W73 HydrophobicContact CG2-CZ2 4.46Å |
| 59 | Q | 86.3 | Confident | 89.4 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 34.4 | -177 | -64.5 | -73.2 | -53.4 | 0 | 0 | 113.1 | F54 D55 V56 | F54-Q59 HydrophobicContact CZ-CB 4.33Å; D55-Q59 WeakPolarHBondContact O-CA 3.03Å; D55-Q59 PolarHBondContact O-N 2.92Å; V56-Q59 PolarHBondContact O-NE2 3.47Å |
| 60 | R | 89.2 | Confident | 89.3 | Confident | 120 Ų | 120 | 62.6 Ų | 62.6 | 45% | 0.453 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.2 | -172.5 | -173.8 | -179.9 | 168.1 | 152.7 | -1.9 | 111.1 | D55 V58 W73 | D55-R60 PolarHBondContact N-O 3.34Å; D55-R60 PolarHBondContact O-N 3.2Å; V58-R60 HydrophobicContact CG1-CB 4.14Å; V58-R60 PolarHBondContact O-N 3.02Å; R60-W73 HydrophobicContact CB-CE3 4.48Å; R60-W73 HydrophobicContact CB-CZ3 4.22Å; R60-W73 HydrophobicContact CG-CE3 4.25Å; R60-W73 HydrophobicContact CG-CZ3 4.47Å; R60-W73 PolarHBondContact NE-O 3.03Å; R60-W73 PolarHBondContact NH2-O 3.33Å |
| 61 | N | 92.5 | Very high | 89.3 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 141 | 169.3 | -68.4 | 6.3 | 0 | 0 | 0 | 110.9 | E52 L53 F54 | E52-N61 HydrophobicContact CG-CB 4.19Å; E52-N61 WeakPolarHBondContact CG-ND2 3.44Å; E52-N61 PolarHBondContact OE1-ND2 3.06Å; L53-N61 CarbonylContact O-C 3.48Å; L53-N61 VanDerWaalsContact O-CA 3.23Å; L53-N61 WeakPolarHBondContact O-CA 3.35Å; F54-N61 WeakPolarHBondContact CD2-OD1 3.43Å |
| 62 | Y | 94.4 | Very high | 89.3 | Confident | 58 Ų | 58 | 67 Ų | 67 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 157.3 | 164.1 | 69.3 | -89 | 0 | 0 | 0 | 109.7 | L53 D55 T71 | L53-Y62 HydrophobicContact CB-CD1 4.21Å; L53-Y62 HydrophobicContact CB-CD2 4.32Å; L53-Y62 HydrophobicContact CB-CE1 3.69Å; L53-Y62 HydrophobicContact CB-CE2 3.83Å; L53-Y62 VanDerWaalsContact CB-CZ 3.49Å; L53-Y62 HydrophobicContact CD1-CE2 3.76Å; L53-Y62 HydrophobicContact CG-CE2 4.4Å; L53-Y62 PolarHBondContact N-O 3.33Å; L53-Y62 PolarHBondContact O-N 3.45Å; D55-Y62 HydrophobicContact CB-CD1 4.05Å; D55-Y62 HydrophobicContact CB-CE1 4.19Å; Y62-T71 HydrophobicContact CD2-CG2 3.58Å; Y62-T71 HydrophobicContact CE2-CG2 4.1Å; Y62-T71 HydrophobicContact CG-CG2 4.44Å |
| 63 | Y | 94.9 | Very high | 89.3 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 7% | 0.071 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.4 | -178.3 | -55.3 | -85.5 | 0 | 0 | 0 | 109.3 | W51 E52 T71 V72 E74 K75 P76 I81 | W51-Y63 WeakPolarHBondContact O-CA 3.07Å; E52-Y63 HydrophobicContact CB-CD1 3.89Å; E52-Y63 HydrophobicContact CB-CE1 3.63Å; E52-Y63 HydrophobicContact CG-CD1 4.2Å; E52-Y63 HydrophobicContact CG-CE1 3.54Å; E52-Y63 VanDerWaalsContact OE1-CE1 3.26Å; E52-Y63 WeakPolarHBondContact OE1-CE1 3.41Å; E52-Y63 VanDerWaalsContact OE1-CZ 3.3Å; E52-Y63 PolarHBondContact OE1-OH 3.19Å; Y63-T71 WeakPolarHBondContact O-CA 3.26Å; Y63-V72 PolarHBondContact N-O 3.41Å; Y63-V72 PolarHBondContact O-N 2.77Å; Y63-E74 VanDerWaalsContact CD2-O 3.29Å; Y63-E74 WeakPolarHBondContact CD2-O 3.37Å; Y63-K75 HydrophobicContact CD2-CB 4.48Å; Y63-K75 HydrophobicContact CE1-CG 4.06Å; Y63-K75 VanDerWaalsContact CE2-CA 3.48Å; Y63-K75 HydrophobicContact CE2-CB 3.81Å; Y63-K75 HydrophobicContact CE2-CG 4.2Å; Y63-P76 HydrophobicContact CG-CG 4.48Å; Y63-I81 HydrophobicContact CD1-CD1 4.36Å; Y63-I81 HydrophobicContact CD1-CG1 4.38Å; Y63-I81 HydrophobicContact CD1-CG2 4Å; Y63-I81 HydrophobicContact CE1-CD1 4.4Å; Y63-I81 HydrophobicContact CE1-CG2 3.92Å |
| 64 | Y | 92.9 | Very high | 89.1 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.2 | -178 | 174.5 | -103.7 | 0 | 0 | 0 | 110.8 | P17 W50 W51 E70 T71 | P17-Y64 HydrophobicContact CB-CE1 3.89Å; P17-Y64 WeakPolarHBondContact CB-OH 3.27Å; P17-Y64 HydrophobicContact CG-CE1 4.24Å; W50-Y64 CarbonylContact C-O 3.6Å; W51-Y64 WeakPolarHBondContact CB-O 3.36Å; W51-Y64 HydrophobicContact CD2-CD1 4.44Å; W51-Y64 HydrophobicContact CE3-CD1 4.37Å; W51-Y64 PolarHBondContact N-O 2.96Å; W51-Y64 PolarHBondContact O-N 2.78Å; Y64-E70 WeakPolarHBondContact CA-O 3.27Å; Y64-E70 WeakPolarHBondContact CD2-O 3.15Å; Y64-T71 WeakPolarHBondContact CD2-OG1 3.48Å |
| 65 | N | 90.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 81.1 Ų | 81.1 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 118.7 | 173.6 | -176.7 | -36.6 | 0 | 0 | 0 | 109.1 | P47 W50 S67 T68 R69 E70 | P47-N65 PolarHBondContact O-ND2 3.11Å; W50-N65 HydrophobicContact CD2-CB 3.76Å; W50-N65 HydrophobicContact CE3-CB 3.66Å; W50-N65 HydrophobicContact CG-CB 4.47Å; W50-N65 HydrophobicContact CH2-CB 3.82Å; W50-N65 HydrophobicContact CZ2-CB 3.92Å; W50-N65 HydrophobicContact CZ3-CB 3.69Å; N65-S67 PolarHBondContact O-N 3.37Å; N65-S67 WeakPolarHBondContact OD1-CA 3.34Å; N65-S67 VanDerWaalsContact OD1-CB 3.23Å; N65-S67 WeakPolarHBondContact OD1-CB 3.34Å; N65-S67 PolarHBondContact OD1-N 2.92Å; N65-T68 WeakPolarHBondContact CB-OG1 3.49Å; N65-T68 PolarHBondContact OD1-N 2.98Å; N65-R69 WeakPolarHBondContact O-CA 3.27Å; N65-R69 PolarHBondContact O-N 3.35Å; N65-E70 PolarHBondContact N-O 3.2Å |
| 66 | S | 82.3 | Confident | 89 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.7 | -179.2 | 53 | 0 | 0 | 0 | 0 | 114 | ||
| 67 | S | 82.5 | Confident | 88.8 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -50 | -177.4 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | N65 | N65-S67 PolarHBondContact O-N 3.37Å; N65-S67 WeakPolarHBondContact OD1-CA 3.34Å; N65-S67 VanDerWaalsContact OD1-CB 3.23Å; N65-S67 WeakPolarHBondContact OD1-CB 3.34Å; N65-S67 PolarHBondContact OD1-N 2.92Å |
| 68 | T | 87.6 | Confident | 88.9 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 44% | 0.442 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.9 | 177.1 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | N65 E70 | N65-T68 WeakPolarHBondContact CB-OG1 3.49Å; N65-T68 PolarHBondContact OD1-N 2.98Å; T68-E70 WeakPolarHBondContact CB-OE2 3.44Å; T68-E70 PolarHBondContact O-N 2.66Å; T68-E70 WeakPolarHBondContact OG1-CB 3.41Å; T68-E70 WeakPolarHBondContact OG1-CG 3.03Å; T68-E70 PolarHBondContact OG1-N 2.85Å; T68-E70 PolarHBondContact OG1-OE2 2.7Å |
| 69 | R | 86.8 | Confident | 88.7 | Confident | 147 Ų | 147 | 76.1 Ų | 76.1 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | trans | 64.1 | 11.2 | -172.3 | -53.4 | 179.3 | 177.1 | 170 | 1 | 114.5 | N65 | N65-R69 WeakPolarHBondContact O-CA 3.27Å; N65-R69 PolarHBondContact O-N 3.35Å | ||
| 70 | E | 88.7 | Confident | 88.7 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | trans | -70.8 | 149.9 | 176.4 | -66 | 167.3 | 128.7 | 0 | 0 | 111.7 | W50 Y64 N65 T68 | W50-E70 HydrophobicContact CH2-CB 3.98Å; W50-E70 HydrophobicContact CZ3-CB 4.34Å; Y64-E70 WeakPolarHBondContact CA-O 3.27Å; Y64-E70 WeakPolarHBondContact CD2-O 3.15Å; N65-E70 PolarHBondContact N-O 3.2Å; T68-E70 WeakPolarHBondContact CB-OE2 3.44Å; T68-E70 PolarHBondContact O-N 2.66Å; T68-E70 WeakPolarHBondContact OG1-CB 3.41Å; T68-E70 WeakPolarHBondContact OG1-CG 3.03Å; T68-E70 PolarHBondContact OG1-N 2.85Å; T68-E70 PolarHBondContact OG1-OE2 2.7Å | ||
| 71 | T | 92.5 | Very high | 88.8 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.5 | 178 | -44.4 | 0 | 0 | 0 | 0 | 109.1 | Y62 Y63 Y64 | Y62-T71 HydrophobicContact CD2-CG2 3.58Å; Y62-T71 HydrophobicContact CE2-CG2 4.1Å; Y62-T71 HydrophobicContact CG-CG2 4.44Å; Y63-T71 WeakPolarHBondContact O-CA 3.26Å; Y64-T71 WeakPolarHBondContact CD2-OG1 3.48Å |
| 72 | V | 93.2 | Very high | 88.8 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146 | -177.1 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | W50 Y63 E74 P76 | W50-V72 HydrophobicContact CE3-CG2 4.34Å; W50-V72 HydrophobicContact CH2-CG2 4.38Å; W50-V72 HydrophobicContact CZ3-CG2 3.82Å; Y63-V72 PolarHBondContact N-O 3.41Å; Y63-V72 PolarHBondContact O-N 2.77Å; V72-E74 WeakPolarHBondContact CG2-O 3.43Å; V72-P76 HydrophobicContact CG2-CG 4.04Å |
| 73 | W | 92.6 | Very high | 88.5 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 42% | 0.424 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -89 | -9.9 | 179.3 | -70.1 | 104.2 | 0 | 0 | 0 | 113.8 | D55 V58 R60 | D55-W73 HydrophobicContact CB-CH2 3.95Å; D55-W73 HydrophobicContact CB-CZ3 4.22Å; V58-W73 HydrophobicContact CB-CH2 4.02Å; V58-W73 HydrophobicContact CB-CZ3 4.24Å; V58-W73 HydrophobicContact CG1-CH2 4.23Å; V58-W73 HydrophobicContact CG1-CZ3 4.21Å; V58-W73 HydrophobicContact CG2-CH2 3.86Å; V58-W73 HydrophobicContact CG2-CZ2 4.46Å; R60-W73 HydrophobicContact CB-CE3 4.48Å; R60-W73 HydrophobicContact CB-CZ3 4.22Å; R60-W73 HydrophobicContact CG-CE3 4.25Å; R60-W73 HydrophobicContact CG-CZ3 4.47Å; R60-W73 PolarHBondContact NE-O 3.03Å; R60-W73 PolarHBondContact NH2-O 3.33Å |
| 74 | E | 89.9 | Confident | 88.3 | Confident | 148 Ų | 148 | 63.3 Ų | 63.3 | 69% | 0.692 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -109.6 | 149.4 | 177.9 | -56.9 | -161.1 | 149.9 | 0 | 0 | 109.8 | Y63 V72 P76 | Y63-E74 VanDerWaalsContact CD2-O 3.29Å; Y63-E74 WeakPolarHBondContact CD2-O 3.37Å; V72-E74 WeakPolarHBondContact CG2-O 3.43Å; E74-P76 VanDerWaalsContact O-CD 3.28Å; E74-P76 WeakPolarHBondContact O-CD 3.41Å |
| 75 | K | 91.9 | Very high | 88.1 | Confident | 133 Ų | 133 | 62.3 Ų | 62.3 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | trans | -72.8 | 119.1 | -173.7 | -169.7 | 175.1 | -179.6 | 174.3 | 0 | 110 | Y63 V77 I81 | Y63-K75 HydrophobicContact CD2-CB 4.48Å; Y63-K75 HydrophobicContact CE1-CG 4.06Å; Y63-K75 VanDerWaalsContact CE2-CA 3.48Å; Y63-K75 HydrophobicContact CE2-CB 3.81Å; Y63-K75 HydrophobicContact CE2-CG 4.2Å; K75-V77 PolarHBondContact O-N 3.42Å; K75-I81 HydrophobicContact CD-CD1 4.09Å; K75-I81 HydrophobicContact CG-CD1 3.51Å | ||
| 76 | P | 89.8 | Confident | 87.5 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | trans | -55.3 | 128.6 | 176.4 | -25.3 | 33.9 | 0 | 0 | 0 | 111 | W50 Y63 V72 E74 | W50-P76 HydrophobicContact CD2-CB 4.26Å; W50-P76 HydrophobicContact CD2-CG 3.55Å; W50-P76 HydrophobicContact CE3-CG 3.8Å; W50-P76 HydrophobicContact CG-CB 4.37Å; W50-P76 HydrophobicContact CG-CG 3.87Å; W50-P76 HydrophobicContact CZ2-CG 4.32Å; W50-P76 HydrophobicContact CZ3-CG 4.31Å; Y63-P76 HydrophobicContact CG-CG 4.48Å; V72-P76 HydrophobicContact CG2-CG 4.04Å; E74-P76 VanDerWaalsContact O-CD 3.28Å; E74-P76 WeakPolarHBondContact O-CD 3.41Å | ||
| 77 | V | 80.8 | Confident | 87.4 | Confident | 130 Ų | 130 | 70.2 Ų | 70.2 | 79% | 0.788 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.9 | -45.3 | -171.5 | -177 | 0 | 0 | 0 | 0 | 111.3 | K75 | K75-V77 PolarHBondContact O-N 3.42Š|
| 78 | D | 82.6 | Confident | 87.4 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -106.7 | 12.3 | -177.5 | -56 | -62.8 | 0 | 0 | 0 | 113.2 | M1 N48 | M1-D78 VanDerWaalsContact CE-O 3.26Å; M1-D78 WeakPolarHBondContact CE-O 3.5Å; N48-D78 PolarHBondContact ND2-O 3.16Å |
| 79 | G | 80.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | trans | -81.1 | 140.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I81 | G79-I81 WeakPolarHBondContact O-CG1 3.41Å; G79-I81 PolarHBondContact O-N 3.15Å; G79-I81 VanDerWaalsContact O-N 3.16Å | ||
| 80 | D | 87.2 | Confident | 85.8 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 92.5 | 173.3 | -178.6 | 19.8 | 0 | 0 | 0 | 110.8 | F6 K43 N48 Q49 W50 | F6-D80 WeakPolarHBondContact CZ-OD1 3.47Å; K43-D80 WeakPolarHBondContact CE-OD2 3.12Å; K43-D80 IonicContact NZ-OD1 2.9Å; K43-D80 PolarHBondContact NZ-OD1 3.16Å; K43-D80 IonicContact NZ-OD2 3.5Å; K43-D80 PolarHBondContact NZ-OD2 2.8Å; N48-D80 WeakPolarHBondContact O-CB 3.32Å; N48-D80 PolarHBondContact O-N 2.89Å; Q49-D80 WeakPolarHBondContact CA-O 3.32Å; W50-D80 PolarHBondContact N-O 3.33Å |
| 81 | I | 91.3 | Very high | 84.6 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.8 | -165.1 | -67 | 158.6 | 0 | 0 | 0 | 112.6 | F6 W50 E52 Y63 K75 G79 | F6-I81 WeakPolarHBondContact CE2-O 3.41Å; F6-I81 WeakPolarHBondContact CZ-O 3.28Å; W50-I81 HydrophobicContact CB-CG1 3.85Å; W50-I81 CarbonylContact O-C 3.52Å; W50-I81 WeakPolarHBondContact O-CA 3.45Å; E52-I81 HydrophobicContact CB-CG2 3.82Å; Y63-I81 HydrophobicContact CD1-CD1 4.36Å; Y63-I81 HydrophobicContact CD1-CG1 4.38Å; Y63-I81 HydrophobicContact CD1-CG2 4Å; Y63-I81 HydrophobicContact CE1-CD1 4.4Å; Y63-I81 HydrophobicContact CE1-CG2 3.92Å; K75-I81 HydrophobicContact CD-CD1 4.09Å; K75-I81 HydrophobicContact CG-CD1 3.51Å; G79-I81 WeakPolarHBondContact O-CG1 3.41Å; G79-I81 PolarHBondContact O-N 3.15Å; G79-I81 VanDerWaalsContact O-N 3.16Å |
| 82 | I | 90.9 | Very high | 83 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.9 | 173.6 | -43.2 | -53.3 | 0 | 0 | 0 | 109.7 | F6 V12 L14 L27 Q49 W50 E52 L84 | F6-I82 HydrophobicContact CE1-CD1 3.69Å; F6-I82 HydrophobicContact CZ-CD1 3.93Å; V12-I82 HydrophobicContact CG1-CD1 3.86Å; V12-I82 HydrophobicContact CG1-CG1 4.25Å; V12-I82 HydrophobicContact CG1-CG2 4.3Å; L14-I82 HydrophobicContact CD2-CG1 4.16Å; L14-I82 HydrophobicContact CD2-CG2 4.36Å; L27-I82 HydrophobicContact CD1-CG2 4.48Å; L27-I82 HydrophobicContact CD2-CG2 3.88Å; Q49-I82 HydrophobicContact CG-CD1 3.92Å; Q49-I82 HydrophobicContact CG-CG1 3.6Å; W50-I82 PolarHBondContact O-N 3.07Å; E52-I82 PolarHBondContact N-O 3.46Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 HydrophobicContact CB-CG 4.41Å; I82-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CG 3.94Å; I82-L84 PolarHBondContact O-N 3.07Å |
| 83 | P | 90 | Very high | 80.8 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 31% | 0.312 | 36% | 0.358 | S | S | . | . | trans | -82.9 | 58.9 | -170.2 | 34 | -37.4 | 0 | 0 | 0 | 113.8 | A85 | P83-A85 VanDerWaalsContact C-N 3.29Å; P83-A85 PolarHBondContact O-N 2.89Å | ||
| 84 | L | 89.6 | Confident | 78.4 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.9 | -173.5 | -62.4 | -175.5 | 0 | 0 | 0 | 114.6 | L14 L27 W51 E52 L53 I82 K86 I87 Q88 | L14-L84 HydrophobicContact CD1-CD1 4.04Å; L14-L84 HydrophobicContact CD1-CD2 4.29Å; L27-L84 HydrophobicContact CD2-CD2 4.08Å; W51-L84 HydrophobicContact CB-CD1 4.01Å; W51-L84 HydrophobicContact CD2-CD1 3.7Å; W51-L84 HydrophobicContact CE3-CD1 3.63Å; W51-L84 HydrophobicContact CG-CD1 3.86Å; W51-L84 HydrophobicContact CZ3-CD1 4.34Å; E52-L84 CarbonylContact O-C 3.6Å; E52-L84 WeakPolarHBondContact O-CA 3.24Å; E52-L84 PolarHBondContact O-N 3.34Å; L53-L84 HydrophobicContact CD2-CB 3.84Å; L53-L84 HydrophobicContact CD2-CD1 4.48Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 HydrophobicContact CB-CG 4.41Å; I82-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CG 3.94Å; I82-L84 PolarHBondContact O-N 3.07Å; L84-K86 PolarHBondContact O-N 2.7Å; L84-K86 VanDerWaalsContact O-N 3.11Å; L84-I87 HydrophobicContact CD2-CD1 4.02Å; L84-I87 WeakPolarHBondContact O-CA 3.46Å; L84-I87 WeakPolarHBondContact O-CB 3.48Å; L84-I87 PolarHBondContact O-N 3.36Å; L84-Q88 PolarHBondContact O-N 3.3Å |
| 85 | A | 88.7 | Confident | 75.5 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -52.6 | -34.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E52 F54 P83 L89 | E52-A85 HydrophobicContact CG-CB 4.36Å; E52-A85 PolarHBondContact O-N 3.23Å; F54-A85 HydrophobicContact CB-CB 4.25Å; P83-A85 VanDerWaalsContact C-N 3.29Å; P83-A85 PolarHBondContact O-N 2.89Å; A85-L89 WeakPolarHBondContact O-CG 3.39Å; A85-L89 PolarHBondContact O-N 2.62Å; A85-L89 VanDerWaalsContact O-N 3.16Å |
| 86 | K | 77.3 | Confident | 72.5 | Confident | 161 Ų | 161 | 72.7 Ų | 72.7 | 70% | 0.7 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 173.9 | -70.5 | -178.6 | 179.8 | 176.3 | 0 | 112.3 | L84 L89 L90 | L84-K86 PolarHBondContact O-N 2.7Å; L84-K86 VanDerWaalsContact O-N 3.11Å; K86-L89 PolarHBondContact O-N 2.76Å; K86-L90 VanDerWaalsContact O-CG 3.31Å; K86-L90 WeakPolarHBondContact O-CG 3.48Å; K86-L90 PolarHBondContact O-N 2.76Å |
| 87 | I | 81.3 | Confident | 69.2 | Low | 11 Ų | 11 | 77.9 Ų | 77.9 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -179.9 | -55.5 | 175.2 | 0 | 0 | 0 | 110 | I25 L27 L84 L89 L90 Q91 | I25-I87 HydrophobicContact CG2-CD1 3.74Å; L27-I87 HydrophobicContact CD2-CD1 3.82Å; L84-I87 HydrophobicContact CD2-CD1 4.02Å; L84-I87 WeakPolarHBondContact O-CA 3.46Å; L84-I87 WeakPolarHBondContact O-CB 3.48Å; L84-I87 PolarHBondContact O-N 3.36Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.41Å; I87-L90 PolarHBondContact O-N 3.33Å; I87-Q91 HydrophobicContact CG2-CG 4.23Å; I87-Q91 WeakPolarHBondContact O-CB 3.37Å; I87-Q91 WeakPolarHBondContact O-CG 3.47Å; I87-Q91 PolarHBondContact O-N 2.97Å |
| 88 | Q | 83 | Confident | 66.6 | Low | 45 Ų | 45 | 76.4 Ų | 76.4 | 21% | 0.21 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.5 | -46.3 | 172.5 | -174.6 | -172.1 | -10 | 0 | 0 | 111.7 | F54 L84 Q92 | F54-Q88 PolarHBondContact O-NE2 2.67Å; L84-Q88 PolarHBondContact O-N 3.3Å; Q88-Q92 WeakPolarHBondContact O-CG 3.29Å; Q88-Q92 PolarHBondContact O-N 3.23Å; Q88-Q92 VanDerWaalsContact O-N 3.15Å |
| 89 | L | 72 | Confident | 63.9 | Low | 74 Ų | 74 | 75 Ų | 75 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 176.1 | -69.4 | 168 | 0 | 0 | 0 | 112.6 | A85 K86 I87 N93 | A85-L89 WeakPolarHBondContact O-CG 3.39Å; A85-L89 PolarHBondContact O-N 2.62Å; A85-L89 VanDerWaalsContact O-N 3.16Å; K86-L89 PolarHBondContact O-N 2.76Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.41Å; L89-N93 PolarHBondContact O-ND2 3.26Å |
| 90 | L | 67.4 | Low | 61.2 | Low | 103 Ų | 103 | 83.4 Ų | 83.4 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 175 | -74.4 | 166 | 0 | 0 | 0 | 112.1 | K86 I87 Q92 N93 | K86-L90 VanDerWaalsContact O-CG 3.31Å; K86-L90 WeakPolarHBondContact O-CG 3.48Å; K86-L90 PolarHBondContact O-N 2.76Å; I87-L90 PolarHBondContact O-N 3.33Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.14Å; L90-N93 PolarHBondContact O-N 3.16Å; L90-N93 VanDerWaalsContact O-N 3.08Å |
| 91 | Q | 65.1 | Low | 58.3 | Low | 87 Ų | 87 | 89 Ų | 89 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.4 | -30.8 | -179.5 | -71 | -175.7 | -0.5 | 0 | 0 | 112.7 | G30 I87 N93 L94 | G30-Q91 PolarHBondContact O-NE2 3.13Å; I87-Q91 HydrophobicContact CG2-CG 4.23Å; I87-Q91 WeakPolarHBondContact O-CB 3.37Å; I87-Q91 WeakPolarHBondContact O-CG 3.47Å; I87-Q91 PolarHBondContact O-N 2.97Å; Q91-N93 PolarHBondContact O-N 3.3Å; Q91-L94 PolarHBondContact O-N 2.8Å |
| 92 | Q | 58 | Low | 55.3 | Low | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -25.9 | 170.4 | -78.5 | 176.5 | -3 | 0 | 0 | 113.3 | Q88 L90 | Q88-Q92 WeakPolarHBondContact O-CG 3.29Å; Q88-Q92 PolarHBondContact O-N 3.23Å; Q88-Q92 VanDerWaalsContact O-N 3.15Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.14Å |
| 93 | N | 46.7 | Very low | 52.1 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -2.5 | 175.7 | -73.5 | -80.6 | 0 | 0 | 0 | 113.7 | L89 L90 Q91 | L89-N93 PolarHBondContact O-ND2 3.26Å; L90-N93 PolarHBondContact O-N 3.16Å; L90-N93 VanDerWaalsContact O-N 3.08Å; Q91-N93 PolarHBondContact O-N 3.3Å |
| 94 | L | 42.3 | Very low | 49.2 | Very low | 136 Ų | 136 | 110.1 Ų | 110.1 | 71% | 0.712 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -8.4 | -173.6 | -77.3 | 166.9 | 0 | 0 | 0 | 114.8 | Q91 P96 | Q91-L94 PolarHBondContact O-N 2.8Å; L94-P96 WeakPolarHBondContact O-CD 3.39Å |
| 95 | Q | 30.3 | Very low | 46.2 | Very low | 169 Ų | 169 | 117.3 Ų | 117.3 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | trans | -83.5 | 118.2 | 171.7 | -69.4 | -158.6 | -11.6 | 0 | 0 | 111.3 | ||||
| 96 | P | 26.9 | Very low | 43 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | -67.8 | 145.5 | 165.2 | 30.9 | -34.1 | 0 | 0 | 0 | 109.7 | L94 S98 | L94-P96 WeakPolarHBondContact O-CD 3.39Å; P96-S98 PolarHBondContact O-N 3.3Å | ||
| 97 | S | 22.2 | Very low | 40.7 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 93% | 0.93 | 67% | 0.67 | S | S | * | * | trans | -70.5 | 92.9 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 98 | S | 25.8 | Very low | 38.2 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | trans | -148.3 | 133.4 | 170.3 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | P96 | P96-S98 PolarHBondContact O-N 3.3Š| ||
| 99 | S | 25.9 | Very low | 35.5 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | cis | -162.8 | 142.6 | -4.4 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | I101 | S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 3.01Å | ||
| 100 | I | 24.4 | Very low | 33.2 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | trans | -76 | 85.9 | 162.8 | -58.9 | 174.2 | 0 | 0 | 0 | 108 | ||||
| 101 | I | 25.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -141.9 | 110.5 | 163 | -56.5 | -178.9 | 0 | 0 | 0 | 107.6 | S99 | S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 3.01Å | ||
| 102 | Q | 28.4 | Very low | 29.4 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -100.4 | 154 | 154.1 | -79.8 | -165.6 | -7.9 | 0 | 0 | 109.3 | ||||
| 103 | K | 24.5 | Very low | 27.8 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -71 | 140.9 | -160.7 | -56.4 | 169.8 | -179.8 | 177.3 | 0 | 113.6 | ||||
| 104 | S | 28 | Very low | 26.8 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -142.1 | 152 | 136.3 | 58.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 105 | D | 26.8 | Very low | 26.1 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 173.5 | -149.8 | -71.1 | -79 | 0 | 0 | 0 | 119.4 | ||||
| 106 | M | 22.7 | Very low | 25.7 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -78.6 | 140.3 | -173.2 | -73.5 | -111.1 | -68 | 0 | 0 | 114.8 | ||||
| 107 | G | 26.9 | Very low | 25.8 | Very low | 74 Ų | 74 | 150.8 Ų | 150.8 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -125.4 | 78.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 108 | V | 29.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 49.9 | 102.5 | 150 | -175.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 109 | L | 26.3 | Very low | 25.8 | Very low | 168 Ų | 168 | 152 Ų | 152 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | -163.8 | 121.7 | 103.8 | -110.1 | 133.1 | 0 | 0 | 0 | 112.2 | |||||
| 110 | R | 23.5 | Very low | 25.8 | Very low | 214 Ų | 214 | 153.6 Ų | 153.6 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -79.6 | 171.3 | 158.1 | -78 | 175.6 | 157.1 | 174.3 | -6 | 107.8 | ||||
| 111 | R | 25.4 | Very low | 25.7 | Very low | 217 Ų | 217 | 155.3 Ų | 155.3 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | cis | -170.7 | 162.8 | 32.6 | -152.9 | 170.7 | -170.3 | 171.8 | 0.3 | 112.4 | ||||
| 112 | S | 28.2 | Very low | 25.7 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | 88.9 | 89.6 | 141.4 | -145.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 113 | N | 24.7 | Very low | 25.5 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | 42.9 | 136.9 | 114.3 | -67.4 | 34.7 | 0 | 0 | 0 | 122.5 | |||||
| 114 | N | 24.2 | Very low | 25.6 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 103.4 | 145.3 | -62.2 | 15.3 | 0 | 0 | 0 | 118.5 | ||||
| 115 | N | 27.7 | Very low | 25.7 | Very low | 164 Ų | 164 | 156.5 Ų | 156.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | -148 | 155.5 | 97.5 | -97.1 | -28.5 | 0 | 0 | 0 | 111.2 | |||||
| 116 | N | 23.8 | Very low | 25.8 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 143.3 | 166.5 | -68.2 | -27.6 | 0 | 0 | 0 | 109.4 | ||||
| 117 | I | 27 | Very low | 26 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | -167.1 | 156.7 | 126.6 | -100 | 155.9 | 0 | 0 | 0 | 108.8 | |||||
| 118 | N | 24.8 | Very low | 26.1 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -102.9 | 174.7 | -169.1 | -139.7 | 2.4 | 0 | 0 | 0 | 111.1 | ||||
| 119 | I | 25.2 | Very low | 26.2 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | 18.8 | 129.9 | 130.1 | -68.4 | 173.4 | 0 | 0 | 0 | 116.1 | ||||
| 120 | D | 24.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | cis | -166.4 | -165.1 | 0 | -126.2 | -42.3 | 0 | 0 | 0 | 110.7 | ||||
| 121 | Y | 23.7 | Very low | 26.6 | Very low | 218 Ų | 218 | 146.7 Ų | 146.7 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -18.8 | 126.5 | 157.3 | -72.4 | -103.5 | 0 | 0 | 0 | 117.1 | ||||
| 122 | Q | 24 | Very low | 26.8 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -152.2 | 119.9 | 150.7 | -78.3 | -155.8 | -18.2 | 0 | 0 | 114.1 | ||||
| 123 | E | 25 | Very low | 26.7 | Very low | 175 Ų | 175 | 152 Ų | 152 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -123.4 | 151.9 | 118.8 | -73.7 | -162.1 | 111.6 | 0 | 0 | 105.5 | |||||
| 124 | E | 26.4 | Very low | 26.9 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | cis | -130.3 | 144.8 | 22.2 | -75.3 | -167.5 | 87.9 | 0 | 0 | 114.5 | ||||
| 125 | R | 30.2 | Very low | 26.9 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | 54.6 | 144.6 | 129.3 | -58.8 | -177.4 | 177.1 | 154.7 | -6.1 | 121 | |||||
| 126 | L | 27.9 | Very low | 27 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | cis | -160.9 | 127.6 | -3.3 | -112.9 | 166.8 | 0 | 0 | 0 | 112.7 | ||||
| 127 | S | 27.2 | Very low | 27.3 | Very low | 84 Ų | 84 | 152.5 Ų | 152.5 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | trans | 50.1 | 126.5 | 137.7 | 65.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 128 | T | 30 | Very low | 27.2 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 70.7 | 146.8 | 131.6 | 54.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 129 | S | 30.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 150 Ų | 150 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -175.6 | 158.9 | -11.8 | 53 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 130 | L | 29.5 | Very low | 27.3 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 84.6 | 115.3 | 142.4 | -107.7 | 78.5 | 0 | 0 | 0 | 124.3 | ||||
| 131 | N | 28.2 | Very low | 27.6 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 58 | 116.6 | 130.6 | -68.7 | -8.8 | 0 | 0 | 0 | 125 | ||||
| 132 | Q | 30.2 | Very low | 27.9 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | 168.5 | 112.3 | 111.9 | -90.8 | 174.3 | 71.1 | 0 | 0 | 110.9 | |||||
| 133 | R | 26.5 | Very low | 28.2 | Very low | 237 Ų | 237 | 142.9 Ų | 142.9 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | 64 | 101.2 | 81.4 | -81.5 | -167.3 | 176.1 | -178.4 | 0.4 | 117.9 | |||||
| 134 | K | 29.4 | Very low | 28.5 | Very low | 213 Ų | 213 | 141.2 Ų | 141.2 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | -173.2 | 160.3 | 127.9 | -105 | 169.4 | -177.5 | 178.3 | 0 | 111.8 | |||||
| 135 | C | 24.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | -146.1 | 145.3 | -169.6 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 136 | T | 29.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | -170.3 | 160 | 169.7 | 42.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 137 | N | 29.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | cis | -163.5 | 154 | -12.8 | -98.5 | 17.9 | 0 | 0 | 0 | 104.8 | ||||
| 138 | S | 25.1 | Very low | 28.5 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 52% | 0.517 | 75% | 0.747 | S | S | . | * | cis | 73.3 | 114.7 | 34.5 | 79.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 139 | F | 27.8 | Very low | 28.4 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 77% | 0.768 | 75% | 0.746 | S | S | * | * | -156.1 | 147.7 | 50.9 | -95 | -95.5 | 0 | 0 | 0 | 111.3 | |||||
| 140 | I | 25.1 | Very low | 28.1 | Very low | 143 Ų | 143 | 144 Ų | 144 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 55.5 | 139 | 99.4 | -58.2 | -163.8 | 0 | 0 | 0 | 114.2 | |||||
| 141 | T | 29.9 | Very low | 28.1 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | cis | -100.7 | -164.4 | 20.5 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 142 | A | 30.8 | Very low | 27.8 | Very low | 84 Ų | 84 | 146 Ų | 146 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | cis | -161.1 | 169.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 143 | E | 28.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | cis | -158.1 | 128.7 | -34.6 | -115.7 | -171.9 | 175.1 | 0 | 0 | 109 | ||||
| 144 | I | 31.6 | Very low | 27.3 | Very low | 140 Ų | 140 | 138 Ų | 138 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | 65.7 | 137.4 | 129.7 | -76.2 | 174 | 0 | 0 | 0 | 121 | |||||
| 145 | P | 33.7 | Very low | 27.1 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | cis | -146.1 | -168.3 | -16.9 | 42.1 | -21.4 | 0 | 0 | 0 | 117.5 | ||||
| 146 | D | 28.1 | Very low | 27 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 76 | 103.1 | 154.8 | -58.7 | -27.2 | 0 | 0 | 0 | 120.6 | ||||
| 147 | Y | 25.4 | Very low | 26.8 | Very low | 208 Ų | 208 | 137 Ų | 137 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | 79.1 | 106.7 | 53.9 | -74.1 | -62.3 | 0 | 0 | 0 | 113.5 | |||||
| 148 | S | 25.6 | Very low | 26.5 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | 133.4 | 178.4 | 79.4 | 59.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 149 | F | 27.4 | Very low | 26.6 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | cis | -142.3 | 163.1 | 11.5 | -137.6 | -77.4 | 0 | 0 | 0 | 112.4 | ||||
| 150 | N | 24.7 | Very low | 26.6 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | -69.7 | 165.1 | 178.5 | -44.5 | -79.8 | 0 | 0 | 0 | 113.8 | ||||
| 151 | N | 28.5 | Very low | 26.7 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | -166.5 | 150.1 | 101.2 | -97.5 | -29.2 | 0 | 0 | 0 | 114.8 | |||||
| 152 | M | 22 | Very low | 26.5 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | trans | -98.7 | 174.8 | 177 | -68.4 | -177.1 | -73.6 | 0 | 0 | 111.6 | ||||
| 153 | V | 23.2 | Very low | 26.4 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 89% | 0.891 | 74% | 0.743 | S | S | * | * | trans | -53.8 | 138.2 | 166.1 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 154 | V | 24.6 | Very low | 26.3 | Very low | 107 Ų | 107 | 142 Ų | 142 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | trans | -123.5 | 120.2 | 171.9 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 155 | Q | 24.1 | Very low | 26.2 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 58.5 | 111.7 | 156.1 | -68.2 | 165.1 | -13.2 | 0 | 0 | 119.9 | V157 | Q155-V157 HydrophobicContact CB-CG2 4.21Š| ||
| 156 | Q | 21.6 | Very low | 25.9 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | -65 | 147.2 | 122 | -73.1 | 177.9 | -67.3 | 0 | 0 | 109.1 | |||||
| 157 | V | 25.2 | Very low | 25.9 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | trans | -115.9 | 124.2 | 162.3 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | Q155 I159 | Q155-V157 HydrophobicContact CB-CG2 4.21Å; V157-I159 HydrophobicContact CG1-CG1 4.18Å | ||
| 158 | N | 22.6 | Very low | 26.2 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | -92.9 | 122 | 166.8 | -98.4 | -16.3 | 0 | 0 | 0 | 109 | ||||
| 159 | I | 28.8 | Very low | 26.3 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | -130.3 | 143 | 156 | -65.4 | -176.6 | 0 | 0 | 0 | 107.2 | V157 | V157-I159 HydrophobicContact CG1-CG1 4.18Š| ||
| 160 | S | 26.7 | Very low | 26.5 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | -110.1 | 155.9 | -156.4 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 161 | N | 26.5 | Very low | 26.6 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 63.1 | 131.4 | 157.7 | -54 | -18.8 | 0 | 0 | 0 | 116 | ||||
| 162 | N | 26.9 | Very low | 26.4 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | -170.7 | 159.7 | 52.2 | -127.8 | -39.1 | 0 | 0 | 0 | 113.5 | |||||
| 163 | K | 28.7 | Very low | 26.7 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | 72.7 | 130.1 | 150.3 | -76.9 | -176.1 | 177.3 | -176.8 | 0 | 123.1 | ||||
| 164 | L | 26.9 | Very low | 26.8 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | trans | 85.9 | 117.8 | 144.2 | -94 | 75.1 | 0 | 0 | 0 | 121.9 | ||||
| 165 | N | 28.9 | Very low | 27.2 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | 77.3 | 96.3 | 134.4 | -65.9 | 7.3 | 0 | 0 | 0 | 122.3 | ||||
| 166 | H | 28.1 | Very low | 27.4 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | 100.2 | 142 | 109.2 | -87.3 | -4 | 0 | 0 | 0 | 122.1 | |||||
| 167 | Y | 27.6 | Very low | 27.9 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 73% | 0.725 | 72% | 0.723 | S | S | * | * | trans | 60.4 | 106.2 | 161.5 | -67.1 | -62.9 | 0 | 0 | 0 | 121.6 | ||||
| 168 | P | 31.6 | Very low | 28.3 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | trans | -82.9 | 162.8 | 139.6 | 37.5 | -33 | 0 | 0 | 0 | 111.1 | ||||
| 169 | M | 28 | Very low | 28.6 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | trans | 173.5 | 143.9 | 140.7 | -96.8 | -53.1 | -74.3 | 0 | 0 | 111.1 | I171 | M169-I171 HydrophobicContact CE-CD1 3.89Å; M169-I171 HydrophobicContact CE-CG1 3.74Å | ||
| 170 | P | 32.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | trans | -102.2 | 117.4 | 160.6 | 33.9 | -25.3 | 0 | 0 | 0 | 111.3 | ||||
| 171 | I | 25.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -140.2 | 149.7 | 168 | -63.9 | -173.8 | 0 | 0 | 0 | 109.2 | M169 | M169-I171 HydrophobicContact CE-CD1 3.89Å; M169-I171 HydrophobicContact CE-CG1 3.74Å | ||
| 172 | S | 25.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -93.1 | 150.2 | -176.9 | 54.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 173 | T | 28.3 | Very low | 28.6 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 58.9 | 113.7 | 144.3 | 52.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 174 | N | 25.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | trans | -151.4 | 154.8 | 135.6 | -107.7 | -27.7 | 0 | 0 | 0 | 106.5 | ||||
| 175 | N | 31.3 | Very low | 28.4 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | cis | -139 | 171 | 19.3 | -97.5 | -42.4 | 0 | 0 | 0 | 112.7 | ||||
| 176 | N | 29.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | -75.7 | 164 | 176.6 | -80.6 | -85.2 | 0 | 0 | 0 | 114.8 | ||||
| 177 | H | 32.5 | Very low | 28.2 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -128.2 | 161.7 | 144.5 | -108.4 | 41.2 | 0 | 0 | 0 | 111 | ||||
| 178 | N | 31.9 | Very low | 28.3 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | -80.8 | 173.3 | -170.3 | -55.8 | -27.6 | 0 | 0 | 0 | 110.9 | ||||
| 179 | H | 30.7 | Very low | 28 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | cis | -145.4 | -178.2 | 25.8 | -105.5 | -76 | 0 | 0 | 0 | 113.1 | ||||
| 180 | S | 24.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -133.2 | -178.1 | 173.1 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 181 | A | 29.3 | Very low | 28 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | trans | 87.8 | 154.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 182 | A | 25.1 | Very low | 27.8 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -112.9 | -157.1 | -167 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 183 | I | 28.7 | Very low | 28.6 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 109 | 119.3 | 164.8 | -59.2 | 168.5 | 0 | 0 | 0 | 115.8 | ||||
| 184 | N | 26.2 | Very low | 28.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 30.9 | 123 | 149.2 | -62.4 | 29.6 | 0 | 0 | 0 | 123.3 | ||||
| 185 | E | 25.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | 65 | 113.4 | 118.2 | -61.8 | -167.9 | 123.3 | 0 | 0 | 123.3 | |||||
| 186 | T | 26.8 | Very low | 28.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | 90.7 | 149.5 | 123.2 | 65.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 187 | M | 26.7 | Very low | 28.2 | Very low | 155 Ų | 155 | 134 Ų | 134 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | 71.6 | 140.3 | 165.4 | -57.7 | -65.9 | 168.3 | 0 | 0 | 116.1 | ||||
| 188 | N | 29.6 | Very low | 28 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | cis | -155.6 | 142.8 | 3.8 | -135.4 | -25.9 | 0 | 0 | 0 | 114.5 | ||||
| 189 | S | 26 | Very low | 27.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 62.6 | 160 | 161.1 | 74.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 190 | I | 30.1 | Very low | 27.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | cis | -133.3 | 145.5 | 20.8 | -71.9 | 175.9 | 0 | 0 | 0 | 112.4 | ||||
| 191 | H | 29.1 | Very low | 27.8 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | 62.8 | 135.7 | 170.9 | -75.5 | -56.4 | 0 | 0 | 0 | 120.4 | ||||
| 192 | S | 22.7 | Very low | 27.7 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -161.1 | -149.6 | 176.3 | -69.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 193 | P | 42.2 | Very low | 27.6 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | -122.9 | -177 | -109.4 | 40.1 | -22.5 | 0 | 0 | 0 | 114.4 | |||||
| 194 | L | 28.3 | Very low | 27.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -174.3 | 159.3 | 156.4 | -88.2 | 138.5 | 0 | 0 | 0 | 107.7 | ||||
| 195 | S | 25.8 | Very low | 27.3 | Very low | 82 Ų | 82 | 134 Ų | 134 | 57% | 0.573 | 74% | 0.741 | S | S | * | * | cis | -176.7 | 149.4 | -27.2 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 196 | L | 26.9 | Very low | 27.4 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 69.5 | 129.7 | 143.9 | -66.9 | 161.5 | 0 | 0 | 0 | 123.5 | ||||
| 197 | L | 24.1 | Very low | 27.9 | Very low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | 79.1 | 148.7 | 129.5 | -76.3 | 170.7 | 0 | 0 | 0 | 125.3 | |||||
| 198 | S | 29.4 | Very low | 27.9 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | 90.2 | 116.4 | 145.5 | -67.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 199 | R | 21.8 | Very low | 27.8 | Very low | 217 Ų | 217 | 132.1 Ų | 132.1 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | trans | -69.3 | -176.7 | 146.2 | -115.8 | -178.4 | 174.1 | -176 | -3.2 | 109.6 | ||||
| 200 | P | 36.3 | Very low | 27.8 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | cis | -146.4 | 170.2 | 16.4 | 41.6 | -20.9 | 0 | 0 | 0 | 119.4 | ||||
| 201 | T | 23.1 | Very low | 27.6 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | 60.9 | 169.3 | 140.4 | 50.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 202 | V | 26.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | trans | 75.5 | 119 | 170.3 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 203 | I | 23.6 | Very low | 27.7 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | cis | 144.9 | 173.4 | 12.9 | -95.9 | 164.4 | 0 | 0 | 0 | 104.4 | ||||
| 204 | T | 24.8 | Very low | 26.9 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | trans | -49.2 | 162.2 | -171.7 | 57.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 205 | D | 23.2 | Very low | 26.9 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | -167.9 | -176.2 | 54 | -109.6 | -55.3 | 0 | 0 | 0 | 116.3 | |||||
| 206 | I | 27.8 | Very low | 26.9 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | trans | -122.1 | -178.6 | 170.3 | -3.4 | 176.9 | 0 | 0 | 0 | 108.1 | ||||
| 207 | P | 38 | Very low | 27.1 | Very low | 97 Ų | 97 | 120 Ų | 120 | 63% | 0.63 | 67% | 0.672 | S | S | * | * | cis | -135.7 | 179.4 | -22.5 | 40 | -21.2 | 0 | 0 | 0 | 115.9 | ||||
| 208 | N | 26.9 | Very low | 27.2 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | 41.9 | 134.6 | 147.4 | -56 | -22.5 | 0 | 0 | 0 | 124.1 | ||||
| 209 | T | 26.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | 163 | 138.4 | 100.5 | 41.7 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 210 | S | 26.6 | Very low | 27.5 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | trans | 69 | 167.1 | 149 | 80.9 | 0 | 0 | 0 | 0 | 118.5 | S747 L748 | S210-S747 CarbonylContact O-C 3.34Å; S210-S747 VanDerWaalsContact O-C 3.27Å; S210-S747 VanDerWaalsContact O-CA 3.23Å; S210-S747 WeakPolarHBondContact O-CA 3.3Å; S210-L748 CarbonylContact C-O 3.59Å; S210-L748 VanDerWaalsContact O-O 3.12Å | ||
| 211 | N | 25.5 | Very low | 27 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | cis | -167 | 130.7 | 11.6 | -149.3 | 9.9 | 0 | 0 | 0 | 115.2 | L748 S749 | N211-L748 VanDerWaalsContact N-C 3.28Å; N211-L748 PolarHBondContact N-O 3.29Å; N211-L748 CarbonylContact O-C 3.58Å; N211-L748 WeakPolarHBondContact O-CA 3.38Å; N211-S749 PolarHBondContact O-N 3.06Å | ||
| 212 | T | 27.1 | Very low | 27.1 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 52% | 0.515 | 65% | 0.653 | S | S | . | * | trans | 59.6 | 157.1 | 161 | 53.6 | 0 | 0 | 0 | 0 | 119.2 | S749 | T212-S749 VanDerWaalsContact CA-OG 3.24Å; T212-S749 WeakPolarHBondContact CA-OG 3.01Å; T212-S749 PolarHBondContact N-OG 2.99Å; T212-S749 WeakPolarHBondContact O-CB 3.46Å; T212-S749 PolarHBondContact O-N 2.97Å; T212-S749 PolarHBondContact O-OG 3.47Å | ||
| 213 | N | 26.7 | Very low | 27 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 47% | 0.465 | 66% | 0.658 | S | S | . | * | cis | -154.1 | -180 | -24.5 | -159.8 | -4.9 | 0 | 0 | 0 | 110.2 | S749 R750 | N213-S749 PolarHBondContact N-OG 3.28Å; N213-R750 PolarHBondContact OD1-NH1 3.05Å; N213-R750 VanDerWaalsContact OD1-NH1 3.08Å | ||
| 214 | H | 26.6 | Very low | 27.1 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 59% | 0.593 | 66% | 0.662 | S | S | * | * | trans | 62.5 | 149.7 | 163.9 | -70.8 | -63.5 | 0 | 0 | 0 | 120.1 | ||||
| 215 | V | 27.6 | Very low | 27 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | cis | -153.4 | 148 | -22.2 | 78.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 216 | S | 25.1 | Very low | 26.9 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | trans | 65.9 | 145.8 | 151.8 | -103.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 217 | I | 30.9 | Very low | 26.8 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 68% | 0.677 | 68% | 0.683 | S | S | * | * | trans | 72.9 | 86.5 | 149.2 | -63.3 | 160.6 | 0 | 0 | 0 | 118.3 | ||||
| 218 | D | 27.2 | Very low | 26.3 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | 57.5 | 128.9 | 118.3 | -62.8 | -57.3 | 0 | 0 | 0 | 123.3 | |||||
| 219 | N | 26.4 | Very low | 26.2 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | 47.5 | 134.1 | 128.3 | -55.8 | -45.1 | 0 | 0 | 0 | 120.4 | |||||
| 220 | Q | 30.4 | Very low | 26.2 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | cis | -144 | 135.7 | 32.9 | -167.8 | 89.1 | -7.8 | 0 | 0 | 113 | ||||
| 221 | R | 26.6 | Very low | 26.4 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | trans | -25.9 | 143.5 | 165.8 | -79.3 | 177.7 | 166.4 | 140.4 | -6.6 | 119.4 | S1428 | R221-S1428 PolarHBondContact NH1-OG 3.22Š| ||
| 222 | V | 24.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | 55.3 | 88.3 | 129.8 | -172 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 223 | R | 23.6 | Very low | 26.7 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 85% | 0.849 | 73% | 0.729 | S | S | * | * | -121.4 | 175.3 | 125.3 | -71.2 | -173.2 | 179.1 | 151.5 | 1.3 | 108.5 | |||||
| 224 | D | 25.8 | Very low | 26.7 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | 68.1 | 58.8 | 167.3 | -50.7 | -22.5 | 0 | 0 | 0 | 117.6 | ||||
| 225 | W | 22.7 | Very low | 26.9 | Very low | 252 Ų | 252 | 141.9 Ų | 141.9 | 96% | 0.955 | 75% | 0.745 | S | S | * | * | trans | -123.6 | 58 | 141.2 | -163.5 | 65.4 | 0 | 0 | 0 | 111.1 | ||||
| 226 | L | 22 | Very low | 26.9 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -156.8 | 55.6 | 169 | -128.8 | 177.8 | 0 | 0 | 0 | 114.4 | ||
| 227 | R | 26.3 | Very low | 27 | Very low | 238 Ų | 238 | 145.5 Ų | 145.5 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -176.8 | 120.7 | 145.1 | -110.3 | 169 | -68 | -161.8 | 3.4 | 111.6 | ||||
| 228 | D | 26.7 | Very low | 26.9 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -147.7 | 107.5 | 146.4 | -167.9 | 9.5 | 0 | 0 | 0 | 108.4 | H757 | D228-H757 IonicContact OD2-CE1 3.54Å; D228-H757 PolarHBondContact OD2-CE1 2.9Å | ||
| 229 | A | 24.1 | Very low | 26.8 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | 177.9 | 53.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 230 | V | 27.1 | Very low | 26.9 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -137.7 | 106.4 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 231 | A | 30.6 | Very low | 26.7 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | -167.8 | 136.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 232 | T | 30.1 | Very low | 26.9 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | cis | -157.7 | 179 | 3 | -4.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 233 | T | 28.3 | Very low | 27.1 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 83 | 129.8 | 177.1 | 73 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 234 | T | 28.3 | Very low | 27.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | cis | -162.6 | 145.5 | -10.8 | 12.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 235 | N | 29.1 | Very low | 27.5 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | cis | -158 | 168 | 38.7 | -99.4 | -18.4 | 0 | 0 | 0 | 111.9 | ||||
| 236 | E | 28.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | 26.6 | 146.2 | 136.9 | -52.9 | -177 | 132.3 | 0 | 0 | 121.9 | ||||
| 237 | M | 27.8 | Very low | 28.2 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 62% | 0.616 | 74% | 0.743 | S | S | * | * | cis | -169 | 149.2 | -9.5 | -109.9 | -164.7 | -153.2 | 0 | 0 | 109.7 | ||||
| 238 | K | 29 | Very low | 28.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | 65.2 | 121.7 | 147.3 | -69.2 | 169.3 | -177.9 | 163.1 | 0 | 118.4 | ||||
| 239 | S | 25.1 | Very low | 28.4 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | 61.5 | 131.2 | 72.2 | 78.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 240 | T | 28.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | cis | -166 | 143.9 | 15.9 | 1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 241 | V | 26.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 18.2 | 132.4 | 142.9 | -162.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 242 | I | 30.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | 174.9 | 118.4 | 120.3 | -86.7 | 166.3 | 0 | 0 | 0 | 113.4 | |||||
| 243 | N | 29.5 | Very low | 28.3 | Very low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | trans | 37.9 | 122.5 | 144.1 | -56.7 | -1.3 | 0 | 0 | 0 | 125.7 | ||||
| 244 | N | 29.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | 77 | 117.7 | 119.2 | -61 | 3.6 | 0 | 0 | 0 | 124.3 | |||||
| 245 | N | 28.3 | Very low | 28.4 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | 94.1 | 145.9 | 124 | -74.5 | 5.7 | 0 | 0 | 0 | 123.9 | |||||
| 246 | T | 30 | Very low | 28.6 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | 80.7 | 157.1 | 155.4 | 27.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 247 | V | 30.8 | Very low | 28.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | trans | -129.9 | 143.8 | -159 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 248 | I | 28.3 | Very low | 28.9 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | trans | -178.5 | 160.7 | 141.8 | -94.7 | 152.9 | 0 | 0 | 0 | 108.4 | ||||
| 249 | A | 27.2 | Very low | 28.9 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -133.8 | -175.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 250 | T | 26.4 | Very low | 29.2 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | 76.6 | 144.8 | 168.9 | 74 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 251 | T | 26.9 | Very low | 29.6 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | -160.8 | 161 | -6.4 | 6.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 252 | T | 27.7 | Very low | 30.2 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 63 | 153.6 | 148.5 | 51.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 253 | A | 29.3 | Very low | 30.3 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | cis | -176.6 | 144.2 | -29.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 254 | N | 28.4 | Very low | 30.4 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | 59.5 | 151.3 | 148.4 | -62.5 | 1.2 | 0 | 0 | 0 | 121 | ||||
| 255 | N | 31.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | cis | -165.1 | 132 | -7.2 | -100.6 | -12.4 | 0 | 0 | 0 | 113.5 | ||||
| 256 | N | 32.6 | Very low | 30.8 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 64.2 | -179.6 | 153.7 | -43.8 | -31.9 | 0 | 0 | 0 | 119.1 | ||||
| 257 | I | 32.4 | Very low | 30.9 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | cis | -161.3 | 167 | 4.7 | -149.2 | 171 | 0 | 0 | 0 | 114.5 | ||||
| 258 | N | 30.5 | Very low | 30.9 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | 78.5 | 159.3 | 158.7 | -81.4 | 15 | 0 | 0 | 0 | 125 | ||||
| 259 | E | 28 | Very low | 31 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -115 | 179.7 | -161.8 | -45.2 | 161.2 | 94.3 | 0 | 0 | 114.8 | ||||
| 260 | F | 32.7 | Very low | 31.3 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | 180 | 149.5 | 110.8 | -117.7 | -76.5 | 0 | 0 | 0 | 118.7 | |||||
| 261 | I | 35.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | trans | 55 | 167.9 | 166.2 | 54.4 | 172.5 | 0 | 0 | 0 | 116.9 | ||||
| 262 | I | 40 | Very low | 31.7 | Very low | 148 Ų | 148 | 134 Ų | 134 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | cis | -130.2 | 132.9 | 10 | -77.6 | -178.6 | 0 | 0 | 0 | 106.8 | ||||
| 263 | D | 31.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | cis | 82.7 | 130.2 | 28.5 | -148.7 | 67.4 | 0 | 0 | 0 | 114.4 | ||||
| 264 | N | 31.4 | Very low | 31.7 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | cis | -148.8 | 177 | -2.1 | -134.2 | -49.2 | 0 | 0 | 0 | 105.5 | ||||
| 265 | S | 33.4 | Very low | 31.7 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | cis | -156.4 | -154 | 4.5 | 51.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 266 | N | 32.2 | Very low | 32 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | cis | -165.6 | 169.6 | 0.4 | -131.9 | -54.6 | 0 | 0 | 0 | 105.3 | ||||
| 267 | T | 33.4 | Very low | 32.3 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -139.2 | -176.9 | 4.9 | 76.9 | 0 | 0 | 0 | 0 | 110.3 | K269 | T267-K269 PolarHBondContact O-N 2.67Š| ||
| 268 | K | 30.7 | Very low | 32.2 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 39.8 | 50 | 156.1 | -69 | -170.4 | 175.8 | 179.3 | 0 | 118.7 | ||
| 269 | K | 30.7 | Very low | 32.1 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | 46.6 | 100.5 | 138.9 | -60 | -174.5 | 176.8 | -174.2 | 0 | 116.7 | T267 | T267-K269 PolarHBondContact O-N 2.67Š| ||
| 270 | P | 33.3 | Very low | 32.1 | Very low | 136 Ų | 136 | 149 Ų | 149 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | -113.2 | 170.8 | 101.3 | 33.8 | -35.9 | 0 | 0 | 0 | 112.5 | |||||
| 271 | G | 30.3 | Very low | 32 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -171.2 | 151.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 272 | C | 31 | Very low | 31.8 | Very low | 118 Ų | 118 | 149 Ų | 149 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -140 | 157.8 | -166.2 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 273 | L | 27.7 | Very low | 31.4 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 56.6 | 119.6 | 152.1 | -67.9 | 166.1 | 0 | 0 | 0 | 120.8 | ||||
| 274 | S | 30.1 | Very low | 31.4 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 55.6 | 139.7 | 145 | 47.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 275 | D | 28.1 | Very low | 31.3 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | cis | -153 | -164.2 | 15.1 | -133.9 | -51 | 0 | 0 | 0 | 114.2 | ||||
| 276 | R | 36.9 | Very low | 31 | Very low | 224 Ų | 224 | 151.7 Ų | 151.7 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -60.8 | 176.2 | -179 | -65.1 | 171.2 | -178.1 | -160.7 | 0.7 | 115.3 | ||||
| 277 | P | 38.3 | Very low | 31 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -150.3 | 172.8 | 20.7 | 44 | -22.2 | 0 | 0 | 0 | 121.6 | ||||
| 278 | I | 31.8 | Very low | 30.5 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 37.6 | 135.1 | 144.5 | -60.5 | 170 | 0 | 0 | 0 | 122.5 | ||||
| 279 | R | 28.1 | Very low | 30.2 | Very low | 230 Ų | 230 | 153.9 Ų | 153.9 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -136.7 | 148.6 | 148.2 | -149.9 | -178.3 | -147.1 | 171.3 | 8.5 | 111.1 | ||||
| 280 | R | 26.9 | Very low | 30 | Very low | 234 Ų | 234 | 147.6 Ų | 147.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -129.7 | 161.8 | 165 | -93.3 | -170 | 174.1 | -169.1 | -0.9 | 109.2 | ||||
| 281 | H | 32 | Very low | 29.6 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -95.2 | 176.7 | 170.8 | -99 | -100.8 | 0 | 0 | 0 | 112.4 | ||||
| 282 | N | 31.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 158.3 | -147.8 | -164.5 | 21.5 | 0 | 0 | 0 | 113.3 | ||||
| 283 | I | 31.5 | Very low | 29 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 171.9 | 116.2 | 162.7 | -88.7 | 146.7 | 0 | 0 | 0 | 104 | ||||
| 284 | Q | 29.9 | Very low | 28.9 | Very low | 166 Ų | 166 | 156.6 Ų | 156.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 73.6 | 140.8 | 54.3 | -67.3 | -166.9 | -29.4 | 0 | 0 | 114.3 | |||||
| 285 | S | 29.3 | Very low | 29 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | cis | -144.8 | -147.7 | 11.9 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 286 | S | 28.8 | Very low | 28.8 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -155.5 | 177 | -152.2 | 58.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 287 | Q | 30.9 | Very low | 28.6 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 85.7 | 155.6 | 167.9 | -65.9 | -175.5 | -13.4 | 0 | 0 | 117.7 | ||||
| 288 | L | 23.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | cis | -168.2 | 172.9 | -29.5 | -118.1 | 172.4 | 0 | 0 | 0 | 110.5 | ||||
| 289 | Q | 24.4 | Very low | 27.5 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 78.9 | 141.2 | 158.7 | -121.5 | 80 | 4.6 | 0 | 0 | 122.3 | ||||
| 290 | G | 27.5 | Very low | 27.3 | Very low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 91.2 | 126.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 291 | L | 23.1 | Very low | 27.2 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | cis | 107.6 | 115.4 | 25 | -86.2 | 173.3 | 0 | 0 | 0 | 113.2 | ||||
| 292 | I | 25.3 | Very low | 26.7 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 66.7 | 119.1 | 161.6 | -53.8 | 164.6 | 0 | 0 | 0 | 113 | ||||
| 293 | E | 25.2 | Very low | 27.1 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | -151.1 | 174.5 | 60.6 | -155 | 157.6 | -139.4 | 0 | 0 | 114.1 | |||||
| 294 | F | 25.1 | Very low | 26.7 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -104.5 | 173.7 | 178.4 | -100.8 | -108.7 | 0 | 0 | 0 | 110 | ||||
| 295 | P | 30.8 | Very low | 26.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | cis | -134 | 174.3 | 16.1 | 43.3 | -26.9 | 0 | 0 | 0 | 117.4 | ||||
| 296 | A | 25.2 | Very low | 26.2 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | trans | -82 | -150.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 297 | P | 31.6 | Very low | 25.9 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | cis | -136 | -170.5 | 13 | 34.4 | -9.9 | 0 | 0 | 0 | 114.9 | ||||
| 298 | S | 23.7 | Very low | 25.6 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | trans | 63.2 | 148.1 | 140 | 61.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 299 | E | 25 | Very low | 25.7 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | cis | -163.7 | 163.2 | -8.9 | -118 | 160.9 | -161.8 | 0 | 0 | 108.8 | ||||
| 300 | D | 22.4 | Very low | 25.7 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | trans | 42.4 | 143.4 | 142 | -83.6 | 30.4 | 0 | 0 | 0 | 126 | ||||
| 301 | Q | 25.5 | Very low | 25.7 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | 82.5 | 141 | 136.1 | -74.4 | 169.9 | 58.5 | 0 | 0 | 122.9 | ||||
| 302 | F | 22.3 | Very low | 26.1 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -61.3 | 176.2 | 156.5 | -70.2 | -101.5 | 0 | 0 | 0 | 111.9 | ||||
| 303 | P | 37.7 | Very low | 26.1 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | cis | -140.9 | -176.9 | -43.2 | 39.6 | -23.2 | 0 | 0 | 0 | 113.8 | ||||
| 304 | N | 24.1 | Very low | 26.4 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 71.4 | 171.5 | 152 | -79.8 | -32.6 | 0 | 0 | 0 | 119.9 | ||||
| 305 | L | 25.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 75.2 | 116.8 | -176 | -57 | 170.5 | 0 | 0 | 0 | 113.5 | ||||
| 306 | Q | 22.8 | Very low | 27 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | 85 | 124.1 | 57.8 | -92.8 | -154.3 | -10.8 | 0 | 0 | 114.1 | |||||
| 307 | F | 22 | Very low | 27.3 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | 62.3 | 160.6 | 173.1 | -62.3 | -70.2 | 0 | 0 | 0 | 114.2 | ||||
| 308 | K | 26.4 | Very low | 27.2 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | cis | -144.7 | 149.1 | 6.8 | -145.5 | 165.4 | -171.9 | 175.3 | 0 | 110.4 | ||||
| 309 | S | 24.2 | Very low | 27.5 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -84.4 | -171.1 | 164 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 310 | V | 24.1 | Very low | 27.6 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | trans | 80.9 | 117.7 | 173.6 | -167.6 | 0 | 0 | 0 | 0 | 113 | H312 | V310-H312 WeakPolarHBondContact CG1-CE1 2.98Å; V310-H312 WeakPolarHBondContact CG1-ND1 3.37Å; V310-H312 WeakPolarHBondContact CG1-NE2 3Å | ||
| 311 | S | 28.3 | Very low | 27.9 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | -170.7 | 161.7 | 78.9 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 312 | H | 30.2 | Very low | 28 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | cis | -164.7 | 157.4 | -18.3 | -106.6 | -43.4 | 0 | 0 | 0 | 111.5 | V310 | V310-H312 WeakPolarHBondContact CG1-CE1 2.98Å; V310-H312 WeakPolarHBondContact CG1-ND1 3.37Å; V310-H312 WeakPolarHBondContact CG1-NE2 3Å | ||
| 313 | S | 26.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 64.1 | 158.2 | 153.4 | 67.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 314 | V | 31 | Very low | 27.7 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | cis | -139.3 | 110.2 | 28.2 | 174.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 315 | N | 29.4 | Very low | 28 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 70.4 | 175.1 | 130.8 | -117.4 | 13.3 | 0 | 0 | 0 | 120.3 | ||||
| 316 | P | 38.6 | Very low | 28.1 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 59% | 0.591 | 74% | 0.739 | S | S | * | * | -138.2 | 175.1 | -117.8 | 42.5 | -22.7 | 0 | 0 | 0 | 117.2 | |||||
| 317 | N | 32.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | -179.3 | 178.5 | 129.4 | -99 | -37.4 | 0 | 0 | 0 | 114.6 | |||||
| 318 | H | 29.8 | Very low | 28.3 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | -94.8 | 157.5 | -161.9 | -103 | -86.5 | 0 | 0 | 0 | 117.4 | ||||
| 319 | N | 29.4 | Very low | 28.4 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 59.1 | 102 | 148.8 | -60.8 | -4.1 | 0 | 0 | 0 | 120.4 | ||||
| 320 | N | 27.7 | Very low | 28.4 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | -172.9 | 154.8 | 107.1 | -102.9 | -27.3 | 0 | 0 | 0 | 114.7 | |||||
| 321 | S | 27.6 | Very low | 28.5 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | 47.6 | 119.1 | 151.8 | 61.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 322 | V | 29 | Very low | 28.4 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 82.3 | 109.7 | 127.5 | 176.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 323 | N | 26.5 | Very low | 28.2 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 93.9 | 122.6 | 138.8 | -84.5 | -2 | 0 | 0 | 0 | 125.2 | ||||
| 324 | L | 27.2 | Very low | 28.1 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | trans | 88.9 | 114.2 | 135.4 | -65.4 | 164.7 | 0 | 0 | 0 | 122.2 | ||||
| 325 | I | 29.9 | Very low | 27.9 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 60.6 | 106.5 | 136.5 | -59.8 | 175.9 | 0 | 0 | 0 | 116.9 | ||||
| 326 | S | 27.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | 100.7 | 125.2 | 30.7 | 79.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 327 | V | 24.1 | Very low | 27.1 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -128.9 | 161.3 | -170.3 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 328 | Y | 25.3 | Very low | 26.8 | Very low | 236 Ų | 236 | 131.5 Ų | 131.5 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -53.5 | 158.2 | 175.8 | -83.9 | -104.2 | 0 | 0 | 0 | 116 | ||||
| 329 | G | 27.4 | Very low | 26.5 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -172.6 | 139.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 330 | S | 25.5 | Very low | 26.4 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -142.6 | 133 | -172.5 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 331 | T | 25.4 | Very low | 26.3 | Very low | 105 Ų | 105 | 127 Ų | 127 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | trans | 32.3 | 132.2 | 147.5 | 57.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 332 | Y | 26.9 | Very low | 26.4 | Very low | 192 Ų | 192 | 128.2 Ų | 128.2 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | -172.7 | 155 | 64.6 | -94.2 | -68.7 | 0 | 0 | 0 | 115 | |||||
| 333 | Q | 24.7 | Very low | 26.2 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 65.5 | 159.7 | 148 | -68.7 | 175.1 | 14.6 | 0 | 0 | 118.3 | ||||
| 334 | T | 25.3 | Very low | 26.7 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -136.2 | 167.3 | 21.2 | 52.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 335 | S | 27.2 | Very low | 26.9 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | 63.6 | 116.1 | 142.5 | 60.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 336 | S | 25.4 | Very low | 26.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 50 | 147 | 132.4 | 60.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 337 | S | 26.6 | Very low | 26.6 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -176.8 | 158.3 | -12.2 | 50 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 338 | C | 24.5 | Very low | 26.8 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 60.1 | 96.6 | 157.5 | -61.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 339 | S | 24.6 | Very low | 27 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | 17.7 | 123.8 | 132 | 57.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 340 | T | 26.8 | Very low | 26.9 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 91% | 0.908 | 73% | 0.733 | S | S | * | * | -171.9 | 162.8 | 110 | 18.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 341 | S | 26.3 | Very low | 27.6 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | -92.7 | 172 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 342 | N | 28 | Very low | 27.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | cis | -166.9 | -179.4 | 27.3 | -148.1 | -3.7 | 0 | 0 | 0 | 112.6 | ||||
| 343 | Y | 25.9 | Very low | 27.9 | Very low | 205 Ų | 205 | 131.3 Ų | 131.3 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | 80.1 | 157.7 | 159 | -73.9 | -50.3 | 0 | 0 | 0 | 120.9 | ||||
| 344 | P | 36.6 | Very low | 28 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -137.4 | -167.8 | -140.4 | 44 | -23.9 | 0 | 0 | 0 | 115.2 | ||||
| 345 | I | 30.9 | Very low | 28.1 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -158.8 | 175.1 | 154.5 | -111 | 154.8 | 0 | 0 | 0 | 111.8 | ||||
| 346 | Q | 22.4 | Very low | 28.3 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | -74.4 | -166.7 | -169.9 | -57.6 | 147.1 | -75.2 | 0 | 0 | 114.9 | ||||
| 347 | Y | 29.1 | Very low | 28.4 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 80.9 | 142.2 | 172.2 | -60.6 | -83.2 | 0 | 0 | 0 | 116.3 | ||||
| 348 | D | 27.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | cis | -162.8 | -179.2 | -26.8 | -146.1 | -25.6 | 0 | 0 | 0 | 110.4 | ||||
| 349 | Q | 31.1 | Very low | 28.7 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -1.6 | 149.8 | 146.4 | -75.9 | 161.6 | 78.7 | 0 | 0 | 120.1 | ||||
| 350 | N | 25.4 | Very low | 28.9 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | cis | -170.6 | 160.5 | -22.2 | -125.4 | -20.8 | 0 | 0 | 0 | 109.8 | ||||
| 351 | V | 39.5 | Very low | 29 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | trans | -93 | 139.7 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 352 | P | 31.9 | Very low | 29 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -144.5 | 161.2 | 151.4 | 36.7 | -21.1 | 0 | 0 | 0 | 116.1 | ||||
| 353 | C | 26.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | cis | -178.3 | -178.4 | -36.3 | -119.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 354 | K | 27.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | trans | 84.2 | 143.7 | 174.1 | -48.1 | -179.3 | -179.3 | -178.5 | 0 | 114.4 | ||||
| 355 | F | 27.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 75% | 0.746 | 72% | 0.721 | S | S | * | * | cis | -134.8 | 142.1 | 23.2 | -106.6 | -98.3 | 0 | 0 | 0 | 113.8 | ||||
| 356 | I | 30.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | 56.9 | 130.6 | 144.2 | -73.6 | -175.7 | 0 | 0 | 0 | 118.9 | ||||
| 357 | D | 28.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | cis | -165.4 | 153.9 | -0.9 | -116.5 | 1.8 | 0 | 0 | 0 | 113 | ||||
| 358 | N | 28.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | 45.2 | 155.4 | 134.6 | -61.4 | -29.8 | 0 | 0 | 0 | 122.1 | ||||
| 359 | I | 28.2 | Very low | 27.6 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | cis | -171.6 | 155.4 | -4.1 | -107.7 | 167.5 | 0 | 0 | 0 | 106.8 | ||||
| 360 | I | 29.3 | Very low | 27.4 | Very low | 132 Ų | 132 | 128 Ų | 128 | 68% | 0.677 | 73% | 0.731 | S | S | * | * | cis | -163.8 | 128.1 | -29.6 | -157.7 | 162.8 | 0 | 0 | 0 | 111.4 | ||||
| 361 | T | 26.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | trans | 55.4 | 179.4 | 152.7 | 66 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 362 | T | 26.7 | Very low | 26.9 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | -159.7 | 149.5 | 13.8 | -13.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 363 | V | 26.9 | Very low | 26.7 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 75.7 | 159.7 | 142 | 159.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 364 | S | 23 | Very low | 26.7 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -131.5 | 170.9 | -161.3 | -48.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 365 | S | 24.6 | Very low | 26.7 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | trans | 58.7 | 115.4 | 144.1 | 58.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 366 | E | 24.4 | Very low | 26.7 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | 75.7 | 106.8 | 129.2 | -63.4 | -175.2 | 168.1 | 0 | 0 | 123.3 | |||||
| 367 | S | 23.4 | Very low | 26.6 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | 75.2 | 155.9 | 132.4 | 82.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 368 | T | 22.4 | Very low | 26.7 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | cis | -139.5 | -172.5 | 12.4 | 45.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 369 | T | 26.7 | Very low | 26.9 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 74 | 143 | 170.8 | 74.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 370 | S | 26.3 | Very low | 26.8 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | cis | -165.2 | 129.8 | -14.3 | 43.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 371 | I | 26.3 | Very low | 26.9 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | 57.2 | 145.4 | 136.6 | -40.3 | 164 | 0 | 0 | 0 | 119.5 | ||||
| 372 | Q | 27.8 | Very low | 27 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | trans | 86.7 | 145.2 | 167.5 | -52.9 | -163.1 | 14 | 0 | 0 | 116.5 | ||||
| 373 | K | 28.1 | Very low | 27 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | cis | -158.7 | -177.5 | -17.4 | -120.8 | 176.1 | 173.5 | -79.8 | 0 | 111.3 | ||||
| 374 | E | 26.7 | Very low | 27.1 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | trans | -42.3 | 174 | 170.4 | -53.3 | 115.3 | -169.6 | 0 | 0 | 118 | ||||
| 375 | S | 27.4 | Very low | 27.5 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | 68.9 | 151.6 | 147.5 | 57.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 376 | D | 28.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | cis | -154.2 | 141.3 | -17.3 | -103.1 | -20 | 0 | 0 | 0 | 107.1 | ||||
| 377 | V | 27 | Very low | 27.7 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 65% | 0.648 | 71% | 0.705 | S | S | * | * | 55.7 | 119 | 86.7 | -176.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 378 | N | 32.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | 152.8 | 114 | 144.1 | -85.1 | -65.6 | 0 | 0 | 0 | 108.6 | ||||
| 379 | N | 31.4 | Very low | 28 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | 82.1 | 109.4 | 71.1 | -72.6 | 8.2 | 0 | 0 | 0 | 110.5 | |||||
| 380 | S | 27.1 | Very low | 28 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | 96.2 | 171.1 | 79.3 | 83.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 381 | D | 30.4 | Very low | 28.1 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | cis | -153.1 | 169.5 | 9.9 | -116.1 | -40.9 | 0 | 0 | 0 | 110 | ||||
| 382 | E | 29.5 | Very low | 28 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 47.6 | 157.9 | 143.9 | -66.8 | -178.8 | 162.8 | 0 | 0 | 121.7 | ||||
| 383 | S | 26.8 | Very low | 28 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | cis | -159.2 | -150.8 | -17.6 | 47.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 384 | I | 29.7 | Very low | 28 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | cis | -160.1 | 171.5 | 6.7 | -145.3 | 173.7 | 0 | 0 | 0 | 110.6 | ||||
| 385 | T | 30.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | trans | 9.8 | 118.3 | 170.6 | 61.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 386 | D | 25.3 | Very low | 28.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | 55.7 | 154.5 | 99.7 | -121.3 | -27.5 | 0 | 0 | 0 | 124.4 | |||||
| 387 | I | 27.3 | Very low | 28.3 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | trans | 81.7 | 107.1 | 161.7 | -64.1 | 168.3 | 0 | 0 | 0 | 120.3 | ||||
| 388 | Q | 27.4 | Very low | 28 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | 63.6 | 157.7 | 145.9 | -68.9 | 174.5 | 8.3 | 0 | 0 | 120.5 | ||||
| 389 | Q | 25.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | cis | -173.5 | 176.9 | -26 | -171.6 | 176.5 | 56.3 | 0 | 0 | 108 | ||||
| 390 | I | 27.2 | Very low | 27.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | 90.7 | 124.6 | 157.3 | -51.6 | 175.2 | 0 | 0 | 0 | 119.2 | ||||
| 391 | T | 28.4 | Very low | 27.1 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | 57.1 | 129.1 | 165 | 51.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 392 | N | 24.6 | Very low | 26.9 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | 76.4 | 112.5 | 44.2 | -76.7 | -13.7 | 0 | 0 | 0 | 116.5 | ||||
| 393 | L | 28 | Very low | 26.5 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | -179.1 | 144.3 | 126 | -101.1 | 161.3 | 0 | 0 | 0 | 113.2 | |||||
| 394 | S | 27 | Very low | 26.5 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 40 | 130.7 | 152.2 | -146.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 395 | S | 29.4 | Very low | 26.3 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | cis | -163.1 | -155.4 | 5.7 | 26.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 396 | D | 28.7 | Very low | 26.1 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | cis | -160.1 | 167 | 14.4 | 179.5 | 31.8 | 0 | 0 | 0 | 110 | ||||
| 397 | K | 30 | Very low | 26 | Very low | 170 Ų | 170 | 142 Ų | 142 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | 36.9 | 87.6 | 163.4 | -79.3 | 168 | -158.5 | 69.8 | 0 | 119.9 | ||||
| 398 | S | 22.3 | Very low | 25.8 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -73.8 | 156.9 | 134.5 | 57 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 399 | F | 26.7 | Very low | 25.6 | Very low | 209 Ų | 209 | 141 Ų | 141 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | -162.2 | 172.5 | 129.6 | -116.6 | -75.3 | 0 | 0 | 0 | 112.1 | |||||
| 400 | Q | 22.1 | Very low | 25.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -147 | 156.8 | -156.1 | -148.4 | -178 | 23 | 0 | 0 | 111.5 | ||||
| 401 | F | 22.3 | Very low | 25.9 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | 75.4 | 157 | 153 | -84 | -59.9 | 0 | 0 | 0 | 123.8 | ||||
| 402 | F | 25.3 | Very low | 25.8 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 89.5 | 133 | 157 | -78.4 | -67.1 | 0 | 0 | 0 | 122.5 | ||||
| 403 | N | 22.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -91.9 | 156.9 | 176.2 | -56.4 | -59.2 | 0 | 0 | 0 | 110.8 | ||||
| 404 | S | 26.5 | Very low | 25.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | 171.1 | 156.3 | 111.6 | -73.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 405 | S | 24.9 | Very low | 25.8 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 23.7 | 145.9 | 144.6 | 67.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 406 | M | 25.8 | Very low | 26.4 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | cis | -164.2 | 175.9 | 16.6 | -141.2 | -179.2 | 171.5 | 0 | 0 | 113.7 | ||||
| 407 | C | 23.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 142 Ų | 142 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | -48.3 | 165.8 | 158.3 | -59.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 408 | E | 22.8 | Very low | 26.4 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | cis | -167.9 | 164.5 | -8.6 | -116 | 179.9 | 119 | 0 | 0 | 111.4 | ||||
| 409 | V | 24.3 | Very low | 26.8 | Very low | 115 Ų | 115 | 143 Ų | 143 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | 49.2 | 121.8 | 148.4 | 177.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 410 | V | 30.2 | Very low | 26.7 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -149.9 | 119.2 | 132.5 | 166.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 411 | K | 29 | Very low | 27 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 28.5 | 124.2 | 141.4 | -60.1 | -178.2 | -178.4 | 175.3 | 0 | 120.5 | ||||
| 412 | Q | 25.4 | Very low | 27.3 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 69.4 | 142.7 | 74.2 | -69.4 | 172.1 | -31.6 | 0 | 0 | 115.2 | |||||
| 413 | S | 24.5 | Very low | 27.5 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | cis | 178.9 | 132.8 | -14 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 414 | S | 29.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 175.1 | 125.6 | 155.8 | 50.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 415 | M | 26.9 | Very low | 27.8 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 91.5 | 147.5 | 56.5 | -75.3 | -84.4 | 90.6 | 0 | 0 | 114.2 | |||||
| 416 | P | 40.3 | Very low | 28.2 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | trans | -131.3 | -164.6 | -134.1 | 45.7 | -30.8 | 0 | 0 | 0 | 115.1 | ||||
| 417 | P | 34.4 | Very low | 28.3 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -130 | -168 | 135.1 | 37.4 | -26 | 0 | 0 | 0 | 114.5 | ||||
| 418 | T | 25.7 | Very low | 28.9 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -136.2 | -175 | -146.1 | -39.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 419 | I | 30 | Very low | 29.2 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 91.1 | 133.9 | 168.3 | -57.3 | 166.8 | 0 | 0 | 0 | 113.3 | ||||
| 420 | S | 25.4 | Very low | 29.6 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -161.7 | 155.3 | -1.4 | 148.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 421 | Y | 27.6 | Very low | 29.5 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | trans | 14.8 | 138 | 158.1 | -70.4 | -96.4 | 0 | 0 | 0 | 123.1 | ||||
| 422 | G | 28.2 | Very low | 29.5 | Very low | 73 Ų | 73 | 146.2 Ų | 146.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 167.7 | 79.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 423 | I | 30 | Very low | 29.5 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 51.7 | 109.7 | 142.8 | -59.3 | 176.6 | 0 | 0 | 0 | 122 | ||||
| 424 | S | 26.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | 33.2 | 134.3 | 145.8 | 73.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 425 | Q | 29.7 | Very low | 29.9 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | -170.4 | 169.4 | 127.4 | -93.8 | -75.1 | -40.9 | 0 | 0 | 108.3 | |||||
| 426 | P | 32.1 | Very low | 30.1 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 167.5 | -144.9 | 37.6 | -40.2 | 0 | 0 | 0 | 118.7 | ||
| 427 | V | 27.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 130.4 | 179.5 | 177.9 | 0 | 0 | 0 | 0 | 112 | ||
| 428 | P | 36.3 | Very low | 29.6 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 141.6 | 171.2 | 32.2 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 429 | R | 28.9 | Very low | 29.8 | Very low | 246 Ų | 246 | 155.8 Ų | 155.8 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 129.8 | -180 | -70.8 | 177.1 | 172.6 | 161.8 | -3.5 | 112.4 | ||
| 430 | Q | 33.3 | Very low | 29.8 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 150.7 | 161.2 | -74.7 | -177.2 | -24.8 | 0 | 0 | 111.2 | ||
| 431 | R | 27.6 | Very low | 29.8 | Very low | 251 Ų | 251 | 155.3 Ų | 155.3 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 144.6 | 175.9 | -68.4 | 179.4 | 176.8 | 171.4 | -1.3 | 111.1 | ||
| 432 | A | 29.1 | Very low | 29.9 | Very low | 94 Ų | 94 | 155.8 Ų | 155.8 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -128.9 | 149.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 433 | F | 24.9 | Very low | 30 | Very low | 214 Ų | 214 | 157.8 Ų | 157.8 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 140.8 | -175.7 | -66.1 | -100.8 | 0 | 0 | 0 | 113 | ||||
| 434 | P | 32.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -105.4 | 169.3 | 154.6 | 36.2 | -28.7 | 0 | 0 | 0 | 112.4 | ||||
| 435 | R | 30.9 | Very low | 30.3 | Very low | 250 Ų | 250 | 154.1 Ų | 154.1 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -90.2 | 165.2 | -174.7 | -75.1 | 176.5 | 170.1 | 159.1 | -4.6 | 114 | ||||
| 436 | T | 31.3 | Very low | 30.4 | Very low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -61.1 | 150.1 | 178.8 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 437 | N | 28.1 | Very low | 30.4 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -156.9 | 121.4 | 148.2 | -139.1 | 14.2 | 0 | 0 | 0 | 111.4 | ||||
| 438 | P | 35.7 | Very low | 30.5 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | trans | -129.6 | 104.3 | -179.3 | 36.8 | -20.3 | 0 | 0 | 0 | 115.5 | ||||
| 439 | T | 30.9 | Very low | 29.9 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -167.9 | 144.5 | 163.4 | 40.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 440 | I | 29.4 | Very low | 29.8 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | cis | -156.8 | 153 | -16.8 | -127.4 | 169.1 | 0 | 0 | 0 | 108.5 | ||||
| 441 | S | 26 | Very low | 29.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | 33.8 | 115.8 | 166.2 | 69.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 442 | R | 28 | Very low | 30.1 | Very low | 251 Ų | 251 | 137.1 Ų | 137.1 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | -145.5 | 106.3 | 120.9 | -113.3 | -172.1 | -175.6 | -162.6 | 1.4 | 109.8 | |||||
| 443 | P | 31.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -71.2 | 146 | 166.4 | 31 | -32.9 | 0 | 0 | 0 | 109.6 | G445 | P443-G445 PolarHBondContact O-N 2.87Š| ||
| 444 | S | 32.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 108.2 | 169.1 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 445 | G | 29.2 | Very low | 30.2 | Very low | 62 Ų | 62 | 136.1 Ų | 136.1 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -79 | 142.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P443 | P443-G445 PolarHBondContact O-N 2.87Š| ||
| 446 | N | 32.3 | Very low | 30.2 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | 69.5 | 128.8 | 157.7 | -50.4 | -11.4 | 0 | 0 | 0 | 117.4 | ||||
| 447 | G | 31.6 | Very low | 30.1 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 168.3 | 168.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 448 | T | 30.2 | Very low | 30.6 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 43.6 | 111.4 | 150.8 | 54.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 449 | C | 24 | Very low | 30.4 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | 62 | 147.3 | 44.3 | -52.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 450 | T | 27 | Very low | 30.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 79.2 | 110.1 | 179.9 | 72.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 451 | L | 29.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 85.7 | 170.4 | 67.7 | -76.4 | 167.5 | 0 | 0 | 0 | 111.8 | |||||
| 452 | P | 36.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -140.7 | 156.1 | 5.5 | 38.9 | -19.3 | 0 | 0 | 0 | 119 | ||||
| 453 | R | 30 | Very low | 30.5 | Very low | 214 Ų | 214 | 122 Ų | 122 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | 54.5 | 164.4 | 135.3 | -81.1 | 178.9 | 179.7 | -176.9 | -0.7 | 121.4 | ||||
| 454 | P | 34.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | cis | -112.5 | 145.1 | 33.4 | 7.6 | 18.3 | 0 | 0 | 0 | 116.3 | ||||
| 455 | C | 25.1 | Very low | 30 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 51% | 0.514 | 75% | 0.754 | S | S | . | * | 73.7 | 129.6 | 79.8 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | I457 | C455-I457 HydrophobicContact CB-CD1 4.24Š| |||
| 456 | T | 30.2 | Very low | 29.8 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | -159.2 | 132.5 | 59.5 | -56.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 457 | I | 30 | Very low | 29.4 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 65% | 0.651 | 76% | 0.764 | S | S | * | * | 83.9 | 135.1 | 50.1 | -70 | 168.3 | 0 | 0 | 0 | 112.4 | C455 | C455-I457 HydrophobicContact CB-CD1 4.24Š| |||
| 458 | P | 38.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | cis | -148.8 | -144 | -22.2 | 45 | -23.1 | 0 | 0 | 0 | 114.7 | ||||
| 459 | S | 31.3 | Very low | 29.4 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 86.4 | 114.9 | 170.2 | 69.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 460 | E | 26.2 | Very low | 29.4 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | cis | 83.6 | 120 | 39.8 | -63.7 | -165 | 167.3 | 0 | 0 | 114.8 | ||||
| 461 | G | 28.3 | Very low | 29.2 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 165.5 | 103.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 462 | S | 27.3 | Very low | 29.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -111.7 | 163.4 | 155.3 | -65.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 463 | P | 33.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -149.5 | -147.6 | 36.5 | 33.4 | -5.5 | 0 | 0 | 0 | 114.2 | ||||
| 464 | I | 29.9 | Very low | 28.7 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 71.2 | 93 | 161.8 | -59.4 | 158 | 0 | 0 | 0 | 114.4 | ||||
| 465 | S | 24 | Very low | 28.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 71.8 | 113.1 | 69.4 | 81.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 466 | L | 26.6 | Very low | 28.5 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -161.2 | 149.1 | 146.6 | -107.5 | 169.9 | 0 | 0 | 0 | 110.7 | ||||
| 467 | F | 22.6 | Very low | 28.4 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -130.7 | 175.8 | -180 | -95.4 | -72 | 0 | 0 | 0 | 107 | ||||
| 468 | P | 37.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | cis | -135.7 | -163.2 | -20.5 | 30.8 | -7.5 | 0 | 0 | 0 | 113 | ||||
| 469 | S | 24.1 | Very low | 27.8 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 92.9 | 121.8 | 137 | -73 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 470 | V | 25.1 | Very low | 27.6 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 75.1 | 106.7 | 130.4 | -179 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 471 | A | 23 | Very low | 27.7 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | trans | 31.4 | 125.8 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 472 | L | 28.7 | Very low | 27.5 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | -172.8 | 151.1 | 125.8 | -116.1 | 72.5 | 0 | 0 | 0 | 104.2 | |||||
| 473 | S | 26.2 | Very low | 27.4 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | cis | 164.4 | 170.9 | -10.1 | 48.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 474 | Q | 30.8 | Very low | 27 | Very low | 165 Ų | 165 | 129 Ų | 129 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | 77.9 | 108.8 | 169.7 | -48.2 | -174.9 | 3.2 | 0 | 0 | 114.1 | ||||
| 475 | F | 29 | Very low | 26.9 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | 83 | 101.7 | 79.7 | -73.2 | -50.5 | 0 | 0 | 0 | 111 | |||||
| 476 | S | 27.4 | Very low | 27.1 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | 85.5 | 139.9 | 78.8 | 68.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 477 | D | 27.9 | Very low | 27.1 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | -157.9 | -179.8 | 10.7 | -129 | -25.2 | 0 | 0 | 0 | 116.1 | ||||
| 478 | T | 28.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -32 | 162.4 | 162.6 | 53.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 479 | S | 27.2 | Very low | 27 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | -176.4 | 174.3 | -9 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 480 | S | 26.7 | Very low | 27.3 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | 93.1 | 133.7 | 141.4 | -150.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 481 | A | 27.5 | Very low | 28 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 61.8 | 97.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 482 | R | 24.7 | Very low | 28.3 | Very low | 238 Ų | 238 | 129.4 Ų | 129.4 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | 80.1 | 113.8 | 112.2 | -170.3 | 176 | -172.2 | 157.8 | 3.1 | 121 | |||||
| 483 | A | 25.7 | Very low | 28.3 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 71.2 | 148.6 | 149 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 484 | S | 24.8 | Very low | 28.5 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | 178.2 | -174.9 | -7.9 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 485 | I | 26.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 72.4 | 98 | 149.3 | -74.5 | 167.4 | 0 | 0 | 0 | 116.4 | ||||
| 486 | T | 28.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | 75.3 | 139.9 | 95.3 | 73.7 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 487 | D | 26.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | -149.7 | 163.8 | 138.5 | -118.2 | -31.1 | 0 | 0 | 0 | 107.3 | K489 | D487-K489 WeakPolarHBondContact OD1-CB 3.16Å; D487-K489 WeakPolarHBondContact OD1-CE 3.45Å; D487-K489 IonicContact OD1-NZ 2.93Å; D487-K489 PolarHBondContact OD1-NZ 3.46Å; D487-K489 IonicContact OD2-NZ 2.77Å; D487-K489 PolarHBondContact OD2-NZ 2.9Å | ||
| 488 | S | 29.6 | Very low | 28 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | cis | -138.3 | 143.7 | 7.5 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 489 | K | 28.7 | Very low | 27.8 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | 76.4 | 109.1 | 42.8 | -173.2 | -163.4 | -75.2 | 145 | 0 | 113.2 | D487 | D487-K489 WeakPolarHBondContact OD1-CB 3.16Å; D487-K489 WeakPolarHBondContact OD1-CE 3.45Å; D487-K489 IonicContact OD1-NZ 2.93Å; D487-K489 PolarHBondContact OD1-NZ 3.46Å; D487-K489 IonicContact OD2-NZ 2.77Å; D487-K489 PolarHBondContact OD2-NZ 2.9Å | ||
| 490 | I | 30 | Very low | 27.9 | Very low | 161 Ų | 161 | 129 Ų | 129 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | 173.8 | 148.9 | 135 | -92 | 160.4 | 0 | 0 | 0 | 111.5 | ||||
| 491 | P | 39.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 73% | 0.731 | S | S | * | * | trans | -129.8 | -160.8 | -158.2 | 40.2 | -20.6 | 0 | 0 | 0 | 114.5 | ||||
| 492 | I | 29.3 | Very low | 27.7 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 163.2 | 123.7 | 132.5 | -86 | 159.4 | 0 | 0 | 0 | 115.3 | ||||
| 493 | I | 29.5 | Very low | 28 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | 59.2 | 152.2 | 149.9 | -69.8 | 176.6 | 0 | 0 | 0 | 119.4 | ||||
| 494 | H | 29 | Very low | 28.2 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | cis | -123.9 | -142.6 | -0.4 | -140.4 | -24.8 | 0 | 0 | 0 | 111.2 | ||||
| 495 | G | 25.8 | Very low | 28.4 | Very low | 61 Ų | 61 | 129.5 Ų | 129.5 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | cis | 98.7 | 140.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 496 | S | 28 | Very low | 28.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | -154.1 | 176.7 | -11.6 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 497 | D | 25.8 | Very low | 28.3 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 68.7 | 97.6 | 154.5 | -57.3 | -51.8 | 0 | 0 | 0 | 124.5 | ||||
| 498 | S | 24.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | 87 | 147.7 | 119.7 | 86.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 499 | K | 24.7 | Very low | 28 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 77.5 | 159.5 | 155.9 | -70.1 | -179.6 | -179.7 | 175.5 | 0 | 121.2 | ||||
| 500 | D | 29 | Very low | 27.8 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | 82.5 | 100.5 | 155.1 | -75.5 | -54 | 0 | 0 | 0 | 122.6 | ||||
| 501 | S | 27.9 | Very low | 27.6 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | 73.2 | 111.3 | 108.2 | -61.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 502 | S | 22.9 | Very low | 27 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -64.3 | 137.2 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 503 | S | 30.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -153.9 | 151.6 | 153.9 | 64.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 504 | L | 30.4 | Very low | 26.6 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | -144.2 | 99.5 | -2.9 | -155.8 | 73.1 | 0 | 0 | 0 | 112.2 | ||||
| 505 | I | 29.2 | Very low | 26.5 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | 47.5 | 113.6 | 128 | -54.8 | 170.4 | 0 | 0 | 0 | 118.9 | |||||
| 506 | K | 28.8 | Very low | 26.7 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | -161.4 | 119.6 | 98.7 | -99 | -166 | -177.2 | 176.4 | 0 | 113.6 | |||||
| 507 | Q | 25 | Very low | 26.7 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -84.6 | 158.7 | 151.5 | -60.6 | 161.8 | -50.5 | 0 | 0 | 108.9 | ||||
| 508 | K | 27.4 | Very low | 26.7 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | -152.8 | 137.9 | 115.2 | -131.2 | -163.3 | 176 | -154.2 | 0 | 112 | |||||
| 509 | L | 21.5 | Very low | 27.5 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -116 | 175 | 168.7 | -130.2 | 171.6 | 0 | 0 | 0 | 106.4 | ||||
| 510 | I | 25.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 61% | 0.605 | 76% | 0.76 | S | S | * | * | trans | 72.7 | 138.3 | 167 | -59.8 | 151.8 | 0 | 0 | 0 | 111.7 | ||||
| 511 | E | 24.9 | Very low | 27.3 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | -156.5 | 138.1 | 47.4 | -145.3 | 131.6 | -130.4 | 0 | 0 | 113.9 | ||||
| 512 | H | 27.2 | Very low | 27.4 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | 40.9 | 154.5 | 133 | -66.3 | -23.5 | 0 | 0 | 0 | 123.8 | ||||
| 513 | V | 25.6 | Very low | 27.5 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | -162.7 | 158.8 | -6.2 | 117.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 514 | S | 24.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 130.9 | 139.1 | 155.7 | -63 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 515 | S | 27.5 | Very low | 27.3 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -168.8 | 157.8 | -6.6 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 516 | N | 29.3 | Very low | 27.1 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 76.7 | 149.5 | 163.5 | -55.7 | -12.8 | 0 | 0 | 0 | 119.2 | ||||
| 517 | L | 27.4 | Very low | 27.1 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | cis | -168.2 | 132.9 | -37.5 | -114.5 | 167.7 | 0 | 0 | 0 | 110.7 | ||||
| 518 | I | 26.9 | Very low | 27.2 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | trans | 14.1 | 154.4 | 146.9 | -75.4 | 168.3 | 0 | 0 | 0 | 123.6 | ||||
| 519 | P | 41.7 | Very low | 27.8 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | trans | -119.1 | -167.3 | -165.7 | 44.9 | -30.2 | 0 | 0 | 0 | 114.9 | ||||
| 520 | E | 26.2 | Very low | 28 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -162 | 170.6 | 147.5 | -121.6 | 168.3 | -141.5 | 0 | 0 | 115.4 | ||||
| 521 | D | 23.1 | Very low | 28 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -63.2 | 163.3 | -157.1 | -58.9 | -30.2 | 0 | 0 | 0 | 122 | ||||
| 522 | I | 30.3 | Very low | 28 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 89% | 0.892 | 74% | 0.741 | S | S | * | * | -177.3 | 155.4 | 111.1 | -91.9 | 165.1 | 0 | 0 | 0 | 112.4 | |||||
| 523 | S | 24.8 | Very low | 28 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | -96.5 | 158.4 | -168.4 | 59.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 524 | N | 28.7 | Very low | 28 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | 174.9 | 168.4 | 113.6 | -86.4 | -23.8 | 0 | 0 | 0 | 116 | |||||
| 525 | S | 28.3 | Very low | 28 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -94.6 | 154.6 | -157.4 | 54.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 526 | D | 25.5 | Very low | 27.9 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | 29.5 | 137.5 | 129.1 | -39.6 | -36.7 | 0 | 0 | 0 | 122.1 | |||||
| 527 | N | 27.4 | Very low | 27.6 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 171.9 | 148.2 | 93 | -102.2 | -57.2 | 0 | 0 | 0 | 119 | |||||
| 528 | T | 27.4 | Very low | 27.6 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 67.9 | 155.5 | 147.9 | 52 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 529 | P | 39.3 | Very low | 27.6 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -129.5 | 167.1 | -161.8 | 43.3 | -27 | 0 | 0 | 0 | 117.5 | ||||
| 530 | E | 26.6 | Very low | 26.7 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -166 | 165.2 | 159.4 | -92.4 | -68.4 | 90.2 | 0 | 0 | 109.2 | ||||
| 531 | C | 24.7 | Very low | 26.7 | Very low | 88 Ų | 88 | 132 Ų | 132 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | cis | -171.5 | 174.8 | -47.2 | -142 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 532 | I | 24.9 | Very low | 27 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 65.4 | 120.3 | 141.1 | -89.6 | 165.1 | 0 | 0 | 0 | 123.6 | ||||
| 533 | I | 27.8 | Very low | 26.8 | Very low | 141 Ų | 141 | 127 Ų | 127 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | 92.1 | 118.7 | 136 | -78.1 | -177.7 | 0 | 0 | 0 | 125.2 | ||||
| 534 | T | 26.3 | Very low | 26.8 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | 44.2 | 112.2 | 145.4 | 70 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 535 | S | 24.8 | Very low | 26.6 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | 16.4 | 138.4 | 117.5 | 63.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 536 | S | 23.9 | Very low | 26.3 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | 134.7 | 145.4 | 118.8 | 71.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 537 | S | 23.6 | Very low | 26.3 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -43.7 | 147.6 | -175 | -43.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 538 | Q | 27.3 | Very low | 26.1 | Very low | 185 Ų | 185 | 127.8 Ų | 127.8 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | -169.6 | 141.5 | 126.9 | -106.4 | 176.4 | 34.8 | 0 | 0 | 115 | |||||
| 539 | V | 26.6 | Very low | 26.1 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 56.6 | 131.4 | 137.3 | 173.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 540 | L | 24.2 | Very low | 25.6 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -61 | 145.3 | 166.3 | -63.1 | 146.6 | 0 | 0 | 0 | 113.3 | ||||
| 541 | N | 25.2 | Very low | 25.5 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -174.7 | 156.4 | 133.2 | -105 | -39.5 | 0 | 0 | 0 | 114.2 | ||||
| 542 | A | 28.7 | Very low | 25.4 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 60.4 | 144.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 543 | S | 27.9 | Very low | 25.4 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | cis | -152 | 163.6 | -9.4 | -114.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 544 | L | 24.1 | Very low | 25.4 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -90.8 | 158.6 | -177.8 | -92.6 | 168.1 | 0 | 0 | 0 | 113.5 | ||||
| 545 | K | 23.7 | Very low | 25.6 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 50% | 0.5 | 77% | 0.765 | S | S | . | * | trans | 83.2 | 127.8 | 147.7 | -81.2 | 166.2 | 162.3 | -83.3 | 0 | 121.8 | D1668 | K545-D1668 VanDerWaalsContact CE-OD2 3.31Å; K545-D1668 WeakPolarHBondContact CE-OD2 3.19Å; K545-D1668 WeakPolarHBondContact CG-OD2 3.4Å; K545-D1668 IonicContact NZ-OD1 3.57Å; K545-D1668 PolarHBondContact NZ-OD1 3.22Å; K545-D1668 IonicContact NZ-OD2 2.73Å; K545-D1668 PolarHBondContact NZ-OD2 3.37Å | ||
| 546 | V | 23.4 | Very low | 25.9 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | trans | 72.4 | 111.9 | 130.2 | 177.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 547 | S | 25.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -160.9 | 138.5 | 110.9 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 548 | C | 23.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -105.1 | 150.4 | 169.3 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 549 | S | 26.6 | Very low | 26 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | 55.2 | 127.3 | 170.1 | 60.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 550 | V | 28.7 | Very low | 25.9 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | -168 | 154.6 | 112.9 | 141.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 551 | N | 24.7 | Very low | 26 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -58.3 | 133.9 | -176.7 | -77.3 | 18.6 | 0 | 0 | 0 | 116.1 | ||||
| 552 | E | 23.3 | Very low | 26.1 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | 72.9 | 173.3 | 113.8 | -153.6 | 175.9 | -147.8 | 0 | 0 | 120.5 | |||||
| 553 | V | 23.6 | Very low | 26 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | trans | 74.8 | 90.9 | 163.6 | -169.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 554 | I | 28.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | 47.4 | 121.5 | 105.3 | -62.4 | 161.2 | 0 | 0 | 0 | 116.2 | |||||
| 555 | P | 31.5 | Very low | 26.1 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | -138.2 | -173.2 | 79 | 45.5 | -32 | 0 | 0 | 0 | 112.2 | Y557 | P555-Y557 HydrophobicContact CB-CD2 4.34Å; P555-Y557 HydrophobicContact CB-CE2 4.38Å | |||
| 556 | S | 29.1 | Very low | 26.4 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | cis | -166.3 | 160.4 | 17.8 | 47 | 0 | 0 | 0 | 0 | 109 | ||||
| 557 | Y | 28.7 | Very low | 26.5 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | cis | -155.1 | 117.2 | -27.1 | -120.9 | -98.6 | 0 | 0 | 0 | 102.2 | P555 | P555-Y557 HydrophobicContact CB-CD2 4.34Å; P555-Y557 HydrophobicContact CB-CE2 4.38Å | ||
| 558 | C | 23.3 | Very low | 26.5 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 69% | 0.689 | 74% | 0.739 | S | S | * | * | 60.3 | 125.7 | 86.8 | -141 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 559 | S | 25.5 | Very low | 26.7 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | 78.6 | 155.1 | 143.1 | -73 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 560 | N | 25.1 | Very low | 26.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | cis | -160.4 | 142.5 | -5.5 | -114.5 | -14.2 | 0 | 0 | 0 | 113.9 | ||||
| 561 | K | 26.8 | Very low | 26.6 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | trans | 62.6 | 167.2 | 140.9 | -66.6 | 178.6 | 179.4 | -179.2 | 0 | 120.6 | ||||
| 562 | Y | 26.8 | Very low | 27.1 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | 72.2 | 138.9 | 175.5 | -52 | -77.7 | 0 | 0 | 0 | 114 | ||||
| 563 | N | 26.7 | Very low | 27.6 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | cis | -158 | 171.1 | -3.3 | -137.5 | -19.3 | 0 | 0 | 0 | 111.3 | ||||
| 564 | I | 29.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | 69.6 | 120.9 | 164.1 | -61.4 | 153.3 | 0 | 0 | 0 | 113.9 | V566 | I564-V566 HydrophobicContact CG2-CG2 4.47Š| ||
| 565 | K | 23.2 | Very low | 27.7 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | 71.2 | 162.9 | 59.6 | -82.6 | -170.3 | 173.6 | -176.6 | 0 | 114.5 | |||||
| 566 | V | 30.2 | Very low | 27.4 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | 77.3 | 84.6 | -177.9 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | I564 | I564-V566 HydrophobicContact CG2-CG2 4.47Š| ||
| 567 | S | 27.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | 80.7 | 111.3 | 75.8 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 568 | S | 24.2 | Very low | 28 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | 80.2 | 123.7 | 99.1 | 74.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 569 | G | 28.8 | Very low | 28.1 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 156.1 | 102.9 | -175 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 570 | N | 23.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | cis | 47.1 | 94.4 | 44.8 | -72.8 | 3.6 | 0 | 0 | 0 | 111.6 | ||||
| 571 | Y | 29.3 | Very low | 28.7 | Very low | 229 Ų | 229 | 133.7 Ų | 133.7 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | -164.3 | 125.3 | 119.9 | -100.8 | -68.5 | 0 | 0 | 0 | 110.8 | |||||
| 572 | L | 34.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -75.1 | 134.8 | 153.1 | -70.8 | 163.1 | 0 | 0 | 0 | 107.4 | ||||
| 573 | P | 33.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | -108.4 | 149.8 | 114.8 | -17.3 | 35.6 | 0 | 0 | 0 | 110.6 | |||||
| 574 | V | 24.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | cis | 62.4 | 115.9 | 48.8 | -176.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 575 | D | 29 | Very low | 30.6 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | cis | -123.8 | 150.9 | 36.9 | -85.5 | -63.4 | 0 | 0 | 0 | 117.1 | ||||
| 576 | S | 26 | Very low | 31.1 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -87.7 | 157 | 148.5 | -60 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 577 | P | 37.7 | Very low | 31.2 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | -147.5 | 147.2 | 111.5 | 27.4 | -8.1 | 0 | 0 | 0 | 116.6 | |||||
| 578 | L | 31.8 | Very low | 31.8 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | 59.5 | 108.2 | 139.1 | -60.8 | 172 | 0 | 0 | 0 | 118 | ||||
| 579 | S | 26.7 | Very low | 32.1 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | 78.5 | 145.3 | 76.2 | 82.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 580 | A | 34.6 | Very low | 32.2 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | cis | -146.2 | 156.5 | 29.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 581 | S | 28.5 | Very low | 32.8 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | -42.7 | 160.9 | 151.2 | -72 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 582 | P | 43.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 118 Ų | 118 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | cis | -148.2 | 143.8 | 46.4 | 37.5 | -15.2 | 0 | 0 | 0 | 121.2 | ||||
| 583 | H | 32.8 | Very low | 32.6 | Very low | 156 Ų | 156 | 114.8 Ų | 114.8 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | 31.8 | 160.8 | 114.6 | -57.2 | -71.2 | 0 | 0 | 0 | 122.3 | |||||
| 584 | P | 41.4 | Very low | 32.4 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | cis | -144.9 | -170.2 | -37.1 | 41 | -23.1 | 0 | 0 | 0 | 114.6 | ||||
| 585 | S | 31.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 71.7 | 142.2 | 152.5 | 63.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 586 | S | 33 | Very low | 32.6 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | cis | -167.2 | 141.1 | -12.4 | 45.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 587 | S | 33.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 65.1 | 154.7 | 143.1 | 60.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 588 | P | 38.6 | Very low | 32.3 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -140.2 | -171.6 | -23.5 | 34.2 | -12.7 | 0 | 0 | 0 | 115.5 | ||||
| 589 | L | 31.5 | Very low | 32.1 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 83.3 | 87.1 | 159 | -58.9 | 173 | 0 | 0 | 0 | 121.1 | ||||
| 590 | S | 30.1 | Very low | 32.3 | Very low | 95 Ų | 95 | 115.6 Ų | 115.6 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | 21.2 | 156.3 | 112.7 | 62.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 591 | P | 36.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -146 | -164.5 | -27.8 | 40.5 | -20.2 | 0 | 0 | 0 | 114.8 | ||||
| 592 | T | 30.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 117.4 Ų | 117.4 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | 68.7 | 113.8 | 155.6 | 48.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 593 | S | 29.2 | Very low | 31.8 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -99.1 | 141.4 | 162.4 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 594 | F | 30.6 | Very low | 31.6 | Very low | 202 Ų | 202 | 117.2 Ų | 117.2 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | -179 | 157.4 | 99.7 | -101.7 | -67.3 | 0 | 0 | 0 | 113.5 | |||||
| 595 | S | 27.6 | Very low | 31 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -87 | 157.5 | 172.1 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 596 | S | 30.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -148.1 | 148.6 | 158.7 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 597 | A | 26.9 | Very low | 30.7 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -145.7 | 151.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 598 | S | 28.5 | Very low | 30.4 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 55.7 | 88.5 | 165.2 | -60.9 | 0 | 0 | 0 | 0 | 118.6 | ||
| 599 | S | 28.4 | Very low | 30 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | 27.4 | 105.5 | 131.8 | -52.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 600 | A | 31.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -148 | 143.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 601 | T | 33.1 | Very low | 29.6 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 131.8 | 173.7 | 33.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 602 | A | 31.9 | Very low | 29.2 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | 67.3 | 141.3 | 75.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 603 | L | 30.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | cis | -157.7 | -176.2 | -5.7 | -109.2 | 167.7 | 0 | 0 | 0 | 105.9 | ||||
| 604 | T | 28.4 | Very low | 29 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | cis | -118.2 | -140.1 | 16.1 | 42.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 605 | T | 28.7 | Very low | 29.4 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | cis | -166.7 | 159.4 | -2.8 | -3.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 606 | A | 30.7 | Very low | 29.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | cis | -153 | 172 | -10.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 607 | N | 27.9 | Very low | 29.3 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 26.3 | 145.4 | 147.6 | -56.5 | 5.6 | 0 | 0 | 0 | 121.2 | ||||
| 608 | S | 28.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | -164.1 | 171.7 | 1.5 | 34.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 609 | E | 29.9 | Very low | 29.4 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 131.6 | 166.4 | -60.8 | 169.3 | 140.9 | 0 | 0 | 110 | ||||
| 610 | E | 27.9 | Very low | 29.3 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -163 | 150.7 | 140 | -122.1 | 168.1 | -165.5 | 0 | 0 | 111.3 | ||||
| 611 | S | 25.6 | Very low | 29.1 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -116.6 | 143.7 | 176.8 | 58.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 612 | I | 27 | Very low | 28.9 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | 173.4 | 127.8 | 142.8 | -92.9 | 149.7 | 0 | 0 | 0 | 107.7 | ||||
| 613 | D | 28.5 | Very low | 28.6 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | -157.2 | 140.6 | 121.6 | -114 | -25.8 | 0 | 0 | 0 | 110.9 | |||||
| 614 | M | 26.3 | Very low | 28.5 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | -113.8 | -173.7 | 179.5 | -117.9 | -169.4 | 75 | 0 | 0 | 107.7 | ||||
| 615 | P | 40.7 | Very low | 28.3 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 60% | 0.604 | 75% | 0.754 | S | S | * | * | cis | -143.2 | 176.9 | 17.3 | 45.6 | -27.6 | 0 | 0 | 0 | 117.6 | ||||
| 616 | N | 30 | Very low | 28.1 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 66.5 | 155.2 | 147.5 | -64.7 | -17.7 | 0 | 0 | 0 | 120.3 | ||||
| 617 | S | 25.4 | Very low | 27.9 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | cis | -172.9 | 166.5 | -24.4 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 618 | M | 29.6 | Very low | 27.7 | Very low | 173 Ų | 173 | 144 Ų | 144 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | 91.9 | 144.4 | 175.4 | -57.5 | 179.2 | -179.4 | 0 | 0 | 118.1 | ||||
| 619 | M | 27.3 | Very low | 27.6 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | cis | -168.9 | 125.3 | -30.2 | -113.2 | -173.6 | 86.1 | 0 | 0 | 108.5 | ||||
| 620 | F | 27.2 | Very low | 27.3 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 75% | 0.746 | 74% | 0.741 | S | S | * | * | trans | 60.4 | 162.6 | 160.7 | -68.5 | -101.5 | 0 | 0 | 0 | 117 | ||||
| 621 | D | 26.5 | Very low | 27.1 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | cis | -148.9 | 172.2 | 10.3 | -137.8 | -32.7 | 0 | 0 | 0 | 113.5 | ||||
| 622 | S | 27.9 | Very low | 27 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | 11 | 156.8 | 153.7 | 71.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 623 | E | 27.3 | Very low | 26.9 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | cis | -178.2 | 152 | -15.3 | -109.6 | -163.9 | -142.2 | 0 | 0 | 108.6 | ||||
| 624 | N | 26.1 | Very low | 26.8 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | trans | 47.3 | 174.9 | 143.7 | -74.5 | -38.3 | 0 | 0 | 0 | 122.1 | ||||
| 625 | W | 24.8 | Very low | 26.9 | Very low | 213 Ų | 213 | 135.8 Ų | 135.8 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | cis | -143 | 168.3 | -17.9 | -113.1 | 114.3 | 0 | 0 | 0 | 107.9 | ||||
| 626 | N | 25.9 | Very low | 26.4 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | trans | -31.8 | 138.3 | 177.3 | -85 | -19.1 | 0 | 0 | 0 | 123 | ||||
| 627 | V | 25.6 | Very low | 26.4 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | 82.8 | 133.6 | 124.6 | 173.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 628 | F | 24.6 | Very low | 26.7 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 82% | 0.82 | 70% | 0.702 | S | S | * | * | trans | 42.2 | 101.6 | 169.3 | -64.6 | -50.9 | 0 | 0 | 0 | 117.6 | ||||
| 629 | S | 25 | Very low | 26.7 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | 76.6 | 119.7 | 74 | -68.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 630 | L | 24 | Very low | 27 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | trans | 70.6 | 134.6 | 160.3 | -86.6 | 79.6 | 0 | 0 | 0 | 116.3 | ||||
| 631 | D | 23.6 | Very low | 27.2 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | cis | -168.6 | 172.7 | -6.9 | -154.3 | -3.1 | 0 | 0 | 0 | 112.4 | ||||
| 632 | I | 24.4 | Very low | 27.4 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 54% | 0.544 | 68% | 0.684 | S | S | . | * | trans | 78.9 | 130.7 | 136.4 | -102.3 | 163 | 0 | 0 | 0 | 121.8 | ||||
| 633 | K | 24.2 | Very low | 27.6 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | trans | 69.1 | 160.2 | 153.8 | -71.4 | 172.1 | -153.2 | 122.9 | 0 | 117.5 | ||||
| 634 | N | 26.3 | Very low | 27.8 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | cis | -134 | 169.9 | 2.3 | -126.5 | 14.8 | 0 | 0 | 0 | 107.3 | ||||
| 635 | D | 28.7 | Very low | 27.9 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | cis | -145.9 | 164.3 | 24.7 | -92.5 | -58.1 | 0 | 0 | 0 | 108.8 | ||||
| 636 | S | 30.3 | Very low | 28.1 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | cis | -156.8 | 147.7 | 17 | 27 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 637 | N | 30.5 | Very low | 27.9 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | 65.3 | 136.4 | 140.1 | -57.8 | -12.7 | 0 | 0 | 0 | 120.3 | ||||
| 638 | L | 30.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 130 Ų | 130 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | cis | -163.4 | 150 | -3.1 | -141.1 | 82.4 | 0 | 0 | 0 | 109.9 | ||||
| 639 | I | 30.3 | Very low | 27.8 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | 43.1 | 130.5 | 131 | -86.5 | 170.5 | 0 | 0 | 0 | 119.1 | ||||
| 640 | K | 32.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | cis | -172.7 | 178.2 | 26 | -101.8 | 167.7 | -160.4 | 160.4 | 0 | 107.3 | ||||
| 641 | N | 31.2 | Very low | 27.8 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | cis | -165.9 | 173.6 | -4.8 | -123.7 | 0.6 | 0 | 0 | 0 | 111.9 | ||||
| 642 | N | 32 | Very low | 27.7 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | trans | 70.7 | 114.2 | 143.4 | -71.6 | -12.7 | 0 | 0 | 0 | 124.6 | ||||
| 643 | K | 31.9 | Very low | 27.7 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | 88.2 | 116.8 | 124.4 | -72.4 | -174.4 | 175.5 | -172.6 | 0 | 123.6 | |||||
| 644 | T | 30.1 | Very low | 27.6 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | trans | 62.9 | 146.6 | 132.1 | 60.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 645 | T | 29.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 77% | 0.767 | 71% | 0.711 | S | S | * | * | cis | -162.7 | 163.9 | -5.6 | 13.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 646 | T | 27.9 | Very low | 27.2 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | -20.2 | 131.1 | 167 | 52.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 647 | S | 23 | Very low | 27.1 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | 64.9 | 150.5 | 115.5 | -49 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 648 | T | 25.3 | Very low | 27.1 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | 77.4 | 113.4 | 150.3 | 38.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 649 | C | 22.5 | Very low | 27.1 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | 61.6 | 155.3 | 128.7 | -63.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 650 | L | 25.5 | Very low | 27.1 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | 90.4 | 156.9 | 163.7 | -67.1 | 172.1 | 0 | 0 | 0 | 119.9 | ||||
| 651 | L | 23 | Very low | 26.9 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | -54 | 152.5 | -162.7 | -90.3 | 66 | 0 | 0 | 0 | 118.1 | ||||
| 652 | N | 22.6 | Very low | 27.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | trans | 65.5 | 131.7 | 133.7 | -68.8 | 13.6 | 0 | 0 | 0 | 121.7 | ||||
| 653 | T | 22.7 | Very low | 27.4 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.693 | 70% | 0.701 | S | S | * | * | 37.7 | 135.3 | 129.2 | 72 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 654 | T | 22.8 | Very low | 27.4 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | cis | -178.3 | 175.6 | -5.7 | 28.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 655 | T | 24.1 | Very low | 27.3 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | 66.2 | 153.6 | 145.2 | 43.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 656 | D | 23.4 | Very low | 27.3 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | cis | -157 | -163.7 | -9.2 | -132.7 | -31.3 | 0 | 0 | 0 | 110.7 | ||||
| 657 | Y | 26.9 | Very low | 27.4 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | trans | 86.1 | 137.3 | 152.8 | -64 | -60.5 | 0 | 0 | 0 | 116.3 | ||||
| 658 | S | 30.1 | Very low | 27.7 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | cis | -152.5 | 166.2 | 7.9 | -90 | 0 | 0 | 0 | 0 | 109 | ||||
| 659 | R | 31.1 | Very low | 27.9 | Very low | 174 Ų | 174 | 130 Ų | 130 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | cis | -172.1 | 175.9 | -6.4 | -101.4 | 162.5 | -163.7 | -108.5 | -0.6 | 105.8 | ||||
| 660 | H | 31 | Very low | 28.1 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 53% | 0.528 | 69% | 0.688 | S | S | . | * | cis | -157.7 | 141.8 | 1.5 | -116.3 | -33.2 | 0 | 0 | 0 | 106.1 | ||||
| 661 | F | 29.1 | Very low | 28.3 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | 74.5 | 154.7 | 88.2 | -79.1 | -142.8 | 0 | 0 | 0 | 115.2 | T663 | F661-T663 HydrophobicContact CD1-CG2 3.36Å; F661-T663 HydrophobicContact CE1-CG2 3.56Å; F661-T663 HydrophobicContact CG-CG2 4.19Å | |||
| 662 | P | 41.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 69% | 0.686 | S | S | * | * | cis | -107.2 | 150 | 19.3 | 7.9 | 16.9 | 0 | 0 | 0 | 114.8 | ||||
| 663 | T | 31.1 | Very low | 28.9 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 53% | 0.528 | 68% | 0.683 | S | S | . | * | 67 | 140.2 | 67.2 | 71.5 | 0 | 0 | 0 | 0 | 115 | F661 | F661-T663 HydrophobicContact CD1-CG2 3.36Å; F661-T663 HydrophobicContact CE1-CG2 3.56Å; F661-T663 HydrophobicContact CG-CG2 4.19Å | |||
| 664 | L | 31.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 84% | 0.838 | 68% | 0.683 | S | S | * | * | cis | -123.9 | -156.5 | 27.1 | -68.2 | 159.2 | 0 | 0 | 0 | 114.6 | ||||
| 665 | D | 29.3 | Very low | 29.6 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -123.9 | -148.3 | -150.4 | -51.5 | -91.1 | 0 | 0 | 0 | 111.5 | ||||
| 666 | E | 30.2 | Very low | 29.8 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | cis | -166.6 | 175.7 | 10.9 | -148.4 | -132.2 | 93.5 | 0 | 0 | 112.5 | ||||
| 667 | S | 30 | Very low | 30.5 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | trans | 66.2 | 150.8 | 164 | 74.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 668 | L | 29.2 | Very low | 30.7 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | cis | -165 | 142.8 | -24.3 | -96.2 | 173.4 | 0 | 0 | 0 | 109.5 | ||||
| 669 | N | 28.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | 56.7 | 159.3 | 145.2 | -63.3 | 31.9 | 0 | 0 | 0 | 122.8 | ||||
| 670 | E | 27.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | cis | -170.3 | 159.6 | -29.9 | -108.8 | 161 | 178.3 | 0 | 0 | 110.9 | ||||
| 671 | E | 29.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | 56.8 | 161.1 | 153.9 | -66.7 | -177.7 | 169.6 | 0 | 0 | 121.4 | ||||
| 672 | E | 30.8 | Very low | 30.8 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | cis | -151.3 | 138.4 | -13.8 | -126.1 | -162.4 | 169.7 | 0 | 0 | 113.2 | ||||
| 673 | D | 28.2 | Very low | 30 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | 37.8 | 168.1 | 137.9 | -132.1 | -16.4 | 0 | 0 | 0 | 128.5 | ||||
| 674 | Y | 31.5 | Very low | 29.8 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | 82 | 86.4 | 158.1 | -71.9 | -68 | 0 | 0 | 0 | 126.4 | ||||
| 675 | L | 27.4 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | 52.2 | 115.5 | 126.1 | -62.4 | -176.1 | 0 | 0 | 0 | 125.7 | |||||
| 676 | R | 28.6 | Very low | 29.2 | Very low | 237 Ų | 237 | 135 Ų | 135 | 89% | 0.894 | 73% | 0.733 | S | S | * | * | 88.8 | 156.4 | 125.9 | -82.3 | -163.3 | 172.1 | -157.1 | -1.1 | 123.3 | |||||
| 677 | P | 39.3 | Very low | 29 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | -124.2 | 177.5 | -160.4 | 45.3 | -32.3 | 0 | 0 | 0 | 115.7 | ||||
| 678 | P | 31 | Very low | 28.8 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 137 | 162.5 | 33.4 | -32.7 | 0 | 0 | 0 | 113.1 | ||
| 679 | T | 26 | Very low | 28.6 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 161 | 170.1 | 31.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 680 | P | 38 | Very low | 28.5 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 158.3 | -166 | 36.4 | -37.1 | 0 | 0 | 0 | 115.2 | ||
| 681 | P | 27.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 163.6 | 165.8 | 33.6 | -33.6 | 0 | 0 | 0 | 113.1 | ||
| 682 | P | 30.7 | Very low | 28.8 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -104.2 | -168.6 | -156 | 41.2 | -37.6 | 0 | 0 | 0 | 115.8 | ||||
| 683 | R | 25.2 | Very low | 28.8 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | trans | -123.7 | 139.5 | -163.1 | -159.6 | -160.6 | -156.5 | 123.4 | -2.6 | 112.7 | P17 | P17-R683 PolarHBondContact O-NH1 3.37Š| ||
| 684 | S | 26.5 | Very low | 29.5 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 90.7 | 149.8 | 153.2 | -22.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 685 | A | 24.2 | Very low | 29.5 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | 82.7 | 92.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 686 | S | 23.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | 44.7 | 98.1 | 121.8 | -50.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 687 | T | 26.9 | Very low | 29.7 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -155.2 | 138.2 | 136.1 | 11.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 688 | L | 24.3 | Very low | 29.2 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | 35 | 140.6 | 144 | -72.4 | 161.1 | 0 | 0 | 0 | 123.2 | ||||
| 689 | C | 25.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 77.5 | 116.3 | 154.2 | -64.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 690 | S | 27.3 | Very low | 29.3 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -88.3 | 176.7 | 160.8 | -39.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 691 | P | 33.6 | Very low | 28.6 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | -123.6 | 171.1 | -89 | 34.4 | -17.9 | 0 | 0 | 0 | 113.6 | |||||
| 692 | G | 28.4 | Very low | 28.7 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -135.5 | 111.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 693 | M | 30.7 | Very low | 28.7 | Very low | 171 Ų | 171 | 122.9 Ų | 122.9 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | -162.6 | 161.3 | -175.3 | -86 | -89.4 | 86.3 | 0 | 0 | 107.8 | ||||
| 694 | P | 42.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | cis | -138.4 | -162.4 | -25 | 40.7 | -23.3 | 0 | 0 | 0 | 111.8 | ||||
| 695 | G | 31 | Very low | 28.8 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 151.3 | 145.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 696 | A | 32 | Very low | 29 | Very low | 67 Ų | 67 | 127 Ų | 127 | 55% | 0.554 | 75% | 0.754 | S | S | * | * | cis | -158 | 166.5 | -19.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | F698 | A696-F698 HydrophobicContact CB-CD2 4.05Å; A696-F698 HydrophobicContact CB-CE2 3.94Å | ||
| 697 | F | 29.2 | Very low | 29.1 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | 166.9 | 166 | 89.9 | -97.9 | -98.7 | 0 | 0 | 0 | 107.2 | |||||
| 698 | F | 28.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | cis | 177.1 | 176.1 | -45.8 | -104.9 | -36.3 | 0 | 0 | 0 | 108.1 | A696 | A696-F698 HydrophobicContact CB-CD2 4.05Å; A696-F698 HydrophobicContact CB-CE2 3.94Å | ||
| 699 | V | 29 | Very low | 29.1 | Very low | 88 Ų | 88 | 129 Ų | 129 | 53% | 0.533 | 76% | 0.756 | S | S | . | * | cis | -102.8 | -101.6 | 4.3 | -159.2 | 0 | 0 | 0 | 0 | 110.8 | F701 | V699-F701 HydrophobicContact CG1-CD1 3.86Å; V699-F701 HydrophobicContact CG1-CE1 3.59Å; V699-F701 HydrophobicContact CG1-CZ 4.07Å | ||
| 700 | T | 28.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | cis | -167.1 | 128.4 | -9.3 | -31.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 701 | F | 24.5 | Very low | 29.3 | Very low | 158 Ų | 158 | 131 Ų | 131 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | cis | -150.2 | 171.1 | -18 | -115.3 | -29 | 0 | 0 | 0 | 106.8 | V699 | V699-F701 HydrophobicContact CG1-CD1 3.86Å; V699-F701 HydrophobicContact CG1-CE1 3.59Å; V699-F701 HydrophobicContact CG1-CZ 4.07Å | ||
| 702 | P | 30.5 | Very low | 28.8 | Very low | 107 Ų | 107 | 129 Ų | 129 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -146.3 | 161 | 42.6 | 41.5 | -21.2 | 0 | 0 | 0 | 119.5 | ||||
| 703 | N | 30.7 | Very low | 28.7 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 67.3 | 147.6 | 147.3 | -63.6 | 2.9 | 0 | 0 | 0 | 120.9 | ||||
| 704 | H | 25 | Very low | 28.6 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | trans | -153.9 | 170.1 | -164.1 | -122.3 | -88.7 | 0 | 0 | 0 | 108.8 | ||||
| 705 | I | 28.8 | Very low | 27.7 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | 78.1 | 92.3 | 152.8 | -70.5 | 162.9 | 0 | 0 | 0 | 117.3 | ||||
| 706 | S | 26.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | 95.5 | 152.4 | 116 | -63.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 707 | L | 27.2 | Very low | 27.6 | Very low | 153 Ų | 153 | 138 Ų | 138 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | -89.6 | 156.5 | -178.1 | -80.8 | 155.8 | 0 | 0 | 0 | 112.5 | ||||
| 708 | N | 25.9 | Very low | 27.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -73.8 | 160.6 | -176.4 | -62.8 | -25.5 | 0 | 0 | 0 | 114.5 | ||||
| 709 | T | 25.9 | Very low | 27.7 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 92% | 0.92 | 75% | 0.748 | S | S | * | * | trans | -139.7 | 152 | 146.8 | -65.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 710 | I | 26.2 | Very low | 27.7 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -114.4 | 124.2 | -161.6 | -61.6 | 167 | 0 | 0 | 0 | 112.1 | ||||
| 711 | T | 28.9 | Very low | 27.6 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -161 | 118.9 | 150.5 | 44.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 712 | S | 23.8 | Very low | 27.8 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | cis | 98.6 | 137.1 | 38.3 | 69.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 713 | F | 26.9 | Very low | 27.6 | Very low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | 75.7 | 139.6 | -170.1 | -61.9 | -89.6 | 0 | 0 | 0 | 114.8 | Q715 | F713-Q715 HydrophobicContact CD1-CG 4.41Š| ||
| 714 | D | 27 | Very low | 27.4 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | cis | -104.9 | 160.1 | -5.9 | -77.4 | -46.8 | 0 | 0 | 0 | 111.1 | ||||
| 715 | Q | 26 | Very low | 28.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | 88.4 | 141.8 | 33.1 | -71.6 | -148.5 | 20.6 | 0 | 0 | 117.3 | F713 | F713-Q715 HydrophobicContact CD1-CG 4.41Š| ||
| 716 | T | 31.1 | Very low | 28.4 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 79.1 | 147.3 | -176.7 | 73.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 717 | A | 29.3 | Very low | 28.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | cis | -167.5 | 150.2 | -33.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 718 | G | 30.2 | Very low | 28.7 | Very low | 67 Ų | 67 | 137.2 Ų | 137.2 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 122.5 | 83.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 719 | Y | 28.8 | Very low | 28.9 | Very low | 205 Ų | 205 | 139 Ų | 139 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 59.7 | 101.3 | 87.9 | -84.2 | -84.1 | 0 | 0 | 0 | 116.8 | |||||
| 720 | I | 29.8 | Very low | 29.2 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 92% | 0.918 | 76% | 0.757 | S | S | * | * | -130.3 | 145.4 | 117.5 | -68.9 | -169.1 | 0 | 0 | 0 | 108.2 | |||||
| 721 | Q | 26.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -137.4 | 147.8 | -179.1 | -158.4 | -169.5 | -2 | 0 | 0 | 103.5 | ||||
| 722 | I | 28.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | -171.4 | 138 | 59.1 | -72.1 | 159 | 0 | 0 | 0 | 107.6 | |||||
| 723 | N | 26.8 | Very low | 29.7 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | -173.6 | 146.8 | 129.9 | -103.2 | -23.5 | 0 | 0 | 0 | 112.1 | |||||
| 724 | S | 26.4 | Very low | 29.9 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -165.3 | -174.8 | -170.6 | -147.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 725 | P | 43.4 | Very low | 30 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | -121 | -126.4 | -94 | 41.2 | -24.5 | 0 | 0 | 0 | 112.7 | |||||
| 726 | Y | 30 | Very low | 30.4 | Very low | 229 Ų | 229 | 131 Ų | 131 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 75.6 | 138.9 | -170.4 | -57 | -79.4 | 0 | 0 | 0 | 114.7 | ||||
| 727 | S | 29.9 | Very low | 30.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -149.4 | 173.8 | -12.7 | 65.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 728 | S | 32.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -153.2 | 132.3 | 16.4 | 49.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 729 | Q | 29.1 | Very low | 30.6 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | 81.6 | 159.6 | 92.8 | -119.5 | -149.5 | 16 | 0 | 0 | 114.5 | |||||
| 730 | P | 31.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | -132.4 | 177.1 | -93.7 | 43.3 | -29.1 | 0 | 0 | 0 | 116.5 | |||||
| 731 | C | 28.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -68.1 | 147.4 | 165.3 | -51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 732 | P | 33.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -104.9 | 125.9 | 162.7 | 34.8 | -27.9 | 0 | 0 | 0 | 113.6 | ||||
| 733 | S | 27.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | 42.6 | 124.9 | 141.8 | 61 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 734 | P | 32 | Very low | 30.9 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -78 | 139.6 | 146.4 | 33.9 | -30.9 | 0 | 0 | 0 | 110.7 | ||||
| 735 | S | 29 | Very low | 30.9 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -160.1 | 142.5 | 161.6 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 736 | S | 33.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -162.6 | 144.5 | 166.2 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 737 | T | 28.7 | Very low | 30 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 87% | 0.865 | 73% | 0.731 | S | S | * | * | trans | 171.5 | 163.9 | 168.6 | 17.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 738 | P | 34.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 118 Ų | 118 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | cis | -132.2 | 172.5 | 9.3 | 42.9 | -27.9 | 0 | 0 | 0 | 116.5 | ||||
| 739 | I | 31.7 | Very low | 29.7 | Very low | 152 Ų | 152 | 115.8 Ų | 115.8 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | 63.1 | 123.9 | 142.7 | -73.7 | 163.6 | 0 | 0 | 0 | 117.3 | ||||
| 740 | T | 29.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | cis | -142.9 | 159 | 7.6 | 46.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 741 | N | 28.8 | Very low | 29.6 | Very low | 125 Ų | 125 | 115.5 Ų | 115.5 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | cis | -163.2 | 142.9 | -9.3 | -110.1 | -10.7 | 0 | 0 | 0 | 109.8 | ||||
| 742 | L | 29.6 | Very low | 29.8 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | trans | 59.7 | 142.4 | 148.9 | -57.9 | 165.4 | 0 | 0 | 0 | 120 | ||||
| 743 | S | 28 | Very low | 29.9 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | cis | -177.1 | 160.7 | -14.3 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 744 | V | 30.4 | Very low | 30.1 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | 69.9 | 107.1 | 162.4 | -175.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 745 | S | 28.4 | Very low | 30.1 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | 69.8 | 144.2 | 53.6 | 81.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 746 | S | 26.1 | Very low | 30 | Very low | 88 Ų | 88 | 122 Ų | 122 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | cis | 177.7 | 139.9 | -14.4 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 747 | S | 26.7 | Very low | 29.8 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 46% | 0.455 | 69% | 0.692 | S | S | . | * | trans | 68.4 | 164.4 | 168.2 | 81.6 | 0 | 0 | 0 | 0 | 117 | S210 | S210-S747 CarbonylContact O-C 3.34Å; S210-S747 VanDerWaalsContact O-C 3.27Å; S210-S747 VanDerWaalsContact O-CA 3.23Å; S210-S747 WeakPolarHBondContact O-CA 3.3Å | ||
| 748 | L | 27.4 | Very low | 29.7 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | cis | -120.7 | -156.7 | 5.5 | -65.1 | 87.2 | 0 | 0 | 0 | 112.5 | S210 N211 | S210-L748 CarbonylContact C-O 3.59Å; S210-L748 VanDerWaalsContact O-O 3.12Å; N211-L748 VanDerWaalsContact N-C 3.28Å; N211-L748 PolarHBondContact N-O 3.29Å; N211-L748 CarbonylContact O-C 3.58Å; N211-L748 WeakPolarHBondContact O-CA 3.38Å | ||
| 749 | S | 28 | Very low | 29.3 | Very low | 58 Ų | 58 | 124.7 Ų | 124.7 | 41% | 0.406 | 69% | 0.69 | S | S | . | * | trans | -138.9 | 171.1 | 174.1 | 83.3 | 0 | 0 | 0 | 0 | 115 | N211 T212 N213 | N211-S749 PolarHBondContact O-N 3.06Å; T212-S749 VanDerWaalsContact CA-OG 3.24Å; T212-S749 WeakPolarHBondContact CA-OG 3.01Å; T212-S749 PolarHBondContact N-OG 2.99Å; T212-S749 WeakPolarHBondContact O-CB 3.46Å; T212-S749 PolarHBondContact O-N 2.97Å; T212-S749 PolarHBondContact O-OG 3.47Å; N213-S749 PolarHBondContact N-OG 3.28Å | ||
| 750 | R | 29.6 | Very low | 29.1 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 54% | 0.54 | 69% | 0.69 | S | S | . | * | trans | 82.8 | 88.9 | 167.3 | -74.2 | -176.8 | 174.3 | 165.6 | 2.5 | 119.5 | N213 | N213-R750 PolarHBondContact OD1-NH1 3.05Å; N213-R750 VanDerWaalsContact OD1-NH1 3.08Å | ||
| 751 | N | 29.4 | Very low | 29.3 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | 72.7 | 107.1 | 117.2 | -62 | 5 | 0 | 0 | 0 | 122 | |||||
| 752 | H | 33.7 | Very low | 29 | Very low | 181 Ų | 181 | 125 Ų | 125 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | 70.4 | 167.1 | 135 | -99.1 | -116 | 0 | 0 | 0 | 118.8 | ||||
| 753 | P | 35.6 | Very low | 29.1 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 66% | 0.662 | 68% | 0.684 | S | S | * | * | cis | -128.3 | 168.7 | 0.8 | 41.6 | -26.5 | 0 | 0 | 0 | 117 | ||||
| 754 | S | 30.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | trans | 23.8 | 119.5 | 149.9 | 61.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 755 | R | 32.2 | Very low | 28.8 | Very low | 251 Ų | 251 | 133 Ų | 133 | 95% | 0.947 | 70% | 0.696 | S | S | * | * | trans | -144.4 | 144.9 | 143.6 | -172.1 | 170.5 | 178.8 | 162.6 | -0.4 | 109.7 | ||||
| 756 | A | 27.6 | Very low | 28.7 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | trans | -130.6 | 158.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 757 | H | 29.6 | Very low | 28.6 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 68% | 0.676 | 71% | 0.706 | S | S | * | * | trans | 61.5 | 142.8 | 178 | -45.1 | -90 | 0 | 0 | 0 | 114.3 | D228 | D228-H757 IonicContact OD2-CE1 3.54Å; D228-H757 PolarHBondContact OD2-CE1 2.9Å | ||
| 758 | V | 26.1 | Very low | 28.5 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | -172.4 | 135.2 | 70.5 | 153.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 759 | I | 26.6 | Very low | 28.6 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 59.8 | 111.3 | 157.1 | -69.5 | 168.3 | 0 | 0 | 0 | 119.4 | ||||
| 760 | Q | 26.7 | Very low | 28.7 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | 46.1 | 171 | 99.2 | -92.1 | -171 | 35.4 | 0 | 0 | 120.2 | |||||
| 761 | P | 33.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 151.2 Ų | 151.2 | 59% | 0.591 | 75% | 0.75 | S | S | * | * | cis | -135.4 | 175.3 | 5.1 | 19.9 | 6.7 | 0 | 0 | 0 | 117.3 | ||||
| 762 | N | 23.7 | Very low | 28.5 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 38.1 | 119.2 | 142.4 | -58.9 | -28.5 | 0 | 0 | 0 | 121.1 | ||||
| 763 | S | 32.2 | Very low | 28.3 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | -173.3 | 113.3 | 103.2 | -84.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 764 | R | 26.6 | Very low | 28 | Very low | 221 Ų | 221 | 152.7 Ų | 152.7 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | 53.8 | 132.4 | 126.5 | -59.5 | -179.9 | 177.7 | -168.9 | -0.1 | 122.1 | |||||
| 765 | R | 25.2 | Very low | 27.9 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | trans | 73.7 | 117.2 | 133.7 | -85 | -171.6 | 176.8 | -178.6 | -1.9 | 121.1 | ||||
| 766 | T | 24.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | 47.4 | 126 | 127.9 | 62 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 767 | H | 24 | Very low | 27.8 | Very low | 183 Ų | 183 | 155 Ų | 155 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | trans | 38.9 | 112.3 | 142.7 | -69.7 | -96.4 | 0 | 0 | 0 | 119.4 | ||||
| 768 | R | 25.9 | Very low | 27.7 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 89% | 0.894 | 74% | 0.741 | S | S | * | * | -153.4 | 137.6 | 113.4 | -127.4 | 179.2 | -179.5 | 173.7 | 1 | 113.4 | |||||
| 769 | S | 28 | Very low | 27.8 | Very low | 94 Ų | 94 | 153.6 Ų | 153.6 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -93.9 | -175 | 160.2 | 53.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 770 | Q | 30.1 | Very low | 27.7 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 101.9 | 117.5 | 163.8 | -59.1 | 178.1 | -25.3 | 0 | 0 | 117.7 | ||||
| 771 | Y | 26.8 | Very low | 27.8 | Very low | 194 Ų | 194 | 153 Ų | 153 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | -89.1 | 121.8 | 114.9 | -81.9 | -89.9 | 0 | 0 | 0 | 106.2 | |||||
| 772 | Y | 28.6 | Very low | 27.4 | Very low | 188 Ų | 188 | 153 Ų | 153 | 74% | 0.737 | 74% | 0.74 | S | S | * | * | 74.4 | 120.8 | 96 | -99.3 | -120.5 | 0 | 0 | 0 | 113 | |||||
| 773 | T | 29.1 | Very low | 27.4 | Very low | 95 Ų | 95 | 154 Ų | 154 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | cis | -161.6 | 158.6 | 2.8 | -9.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 774 | Q | 31 | Very low | 27.1 | Very low | 168 Ų | 168 | 154 Ų | 154 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 69.1 | 149.4 | 156.1 | -67.9 | 174.2 | 8 | 0 | 0 | 120 | ||||
| 775 | Q | 28 | Very low | 27 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | cis | -170.2 | 178.4 | -44.5 | -126.6 | 176.1 | -36.3 | 0 | 0 | 110.9 | ||||
| 776 | I | 29.3 | Very low | 26.9 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 90.6 | 111.3 | 164.8 | -67.5 | 167.8 | 0 | 0 | 0 | 117.8 | ||||
| 777 | H | 27.9 | Very low | 27 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | trans | 60 | 109.8 | 158.6 | -71.1 | -112.8 | 0 | 0 | 0 | 119.5 | ||||
| 778 | T | 28.7 | Very low | 27 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | 75.8 | 139.8 | 55.9 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 779 | D | 27.4 | Very low | 26.9 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | -177 | 178.9 | -5.4 | -100.8 | -15.2 | 0 | 0 | 0 | 107.9 | ||||
| 780 | L | 25.6 | Very low | 27.1 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | cis | -163.1 | 179.4 | -0.3 | -123.7 | 169.8 | 0 | 0 | 0 | 111.4 | ||||
| 781 | H | 28.6 | Very low | 26.7 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 75 | 169.8 | 153.4 | -83.8 | -57.1 | 0 | 0 | 0 | 122.9 | ||||
| 782 | S | 24.1 | Very low | 26.6 | Very low | 92 Ų | 92 | 146 Ų | 146 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | -164.6 | 144.4 | -144.7 | 58.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 783 | L | 24.2 | Very low | 26.6 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | 44 | 121.1 | 156.2 | -79.2 | 81.3 | 0 | 0 | 0 | 120.7 | ||||
| 784 | S | 24.5 | Very low | 26.6 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 162.4 | 167.1 | 98.5 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 785 | N | 24.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 71.1 | 94.1 | 159.6 | -63.5 | -4.6 | 0 | 0 | 0 | 121.7 | ||||
| 786 | S | 23.2 | Very low | 26.5 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | 31.1 | 117.4 | 123.1 | 61.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 787 | K | 28.1 | Very low | 26.6 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -161 | 139.6 | 142.3 | -118.7 | 172.9 | -177.7 | -179.7 | 0 | 111.6 | ||||
| 788 | E | 22.8 | Very low | 26.5 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -84.7 | 136.7 | 154.1 | -70.5 | -179.3 | 109.2 | 0 | 0 | 109 | ||||
| 789 | M | 24.5 | Very low | 26.8 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | 176.2 | 137.5 | 109.4 | -98 | -175.8 | 138.4 | 0 | 0 | 110.1 | |||||
| 790 | Q | 31.7 | Very low | 27 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -94.2 | 150.4 | 172.8 | -58.3 | 170.8 | -20 | 0 | 0 | 110 | ||||
| 791 | F | 23.2 | Very low | 27 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -164 | 143.1 | 145 | -88.7 | -79.7 | 0 | 0 | 0 | 106.7 | ||||
| 792 | S | 24.1 | Very low | 27 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | cis | -175.8 | -158 | -13.4 | 43.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 793 | E | 27.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | trans | 94 | 128.9 | 158.7 | -55.3 | -157.1 | -160.5 | 0 | 0 | 116.4 | ||||
| 794 | N | 28.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | cis | -161.8 | 161.3 | 1.2 | -102.9 | -13.1 | 0 | 0 | 0 | 109.8 | ||||
| 795 | S | 27.7 | Very low | 28.5 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | cis | 176.3 | 165.1 | -10.6 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 796 | V | 29.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | 73.4 | 139.6 | 162.3 | -155.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 797 | V | 32.5 | Very low | 28.6 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | cis | -124.5 | 153.3 | 24.4 | -151 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 798 | D | 24.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -107.7 | -163.1 | -176.3 | -138.7 | -0.8 | 0 | 0 | 0 | 109.4 | ||||
| 799 | P | 36.3 | Very low | 28.7 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | -138.2 | -177.5 | -15.1 | 38.5 | -18.7 | 0 | 0 | 0 | 116.6 | ||||
| 800 | A | 30.4 | Very low | 28.7 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 74.8 | 154.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 801 | C | 25.9 | Very low | 28.3 | Very low | 108 Ų | 108 | 125 Ų | 125 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | cis | -168.2 | 172.9 | -22.5 | -101.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 802 | F | 29.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.803 | 71% | 0.713 | S | S | * | * | trans | 70.8 | 116.7 | 158.2 | -75.9 | -70.4 | 0 | 0 | 0 | 122.9 | ||||
| 803 | I | 28.4 | Very low | 28.9 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 61% | 0.605 | 72% | 0.722 | S | S | * | * | 45.9 | 130.2 | 124.6 | -65.1 | -177.2 | 0 | 0 | 0 | 121.5 | |||||
| 804 | P | 38.1 | Very low | 29.1 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | trans | -97.1 | -167.4 | 169.6 | 45.5 | -39.9 | 0 | 0 | 0 | 111.7 | ||||
| 805 | P | 38.7 | Very low | 29 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | cis | -139 | -152.1 | 3 | 41.5 | -19.4 | 0 | 0 | 0 | 114.5 | ||||
| 806 | T | 23.7 | Very low | 28.8 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | 86.4 | 154.8 | 151.1 | 27 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 807 | D | 25.5 | Very low | 28.7 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | trans | 73.7 | 96.6 | 160.3 | -63.7 | -5.4 | 0 | 0 | 0 | 121.9 | ||||
| 808 | S | 23.5 | Very low | 28.5 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | 39.8 | 132.7 | 123.3 | 67.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 809 | F | 28.6 | Very low | 28.5 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | -163.9 | 154 | 93.2 | -113.7 | -85.3 | 0 | 0 | 0 | 115 | |||||
| 810 | N | 24.4 | Very low | 28.2 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | -54.2 | 152 | -179.7 | -156 | 7.5 | 0 | 0 | 0 | 116.3 | ||||
| 811 | S | 23.5 | Very low | 28.2 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | 45.6 | 128.1 | 143.2 | 66.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 812 | Q | 29.2 | Very low | 28.7 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | 179.6 | 142.6 | 102.4 | -95.7 | 170.9 | 31.7 | 0 | 0 | 112.8 | |||||
| 813 | Q | 31.9 | Very low | 28.5 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -89.1 | 157.2 | 148.8 | -69.3 | -174.6 | -20.4 | 0 | 0 | 107.8 | ||||
| 814 | P | 31.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | -137.9 | 163.6 | 101.7 | 36.5 | -24.8 | 0 | 0 | 0 | 116.4 | |||||
| 815 | R | 25.6 | Very low | 28.1 | Very low | 181 Ų | 181 | 140 Ų | 140 | 68% | 0.683 | 74% | 0.742 | S | S | * | * | trans | -61.3 | -177.3 | 174.4 | -43 | 167.9 | 179.9 | 165.9 | -8.5 | 111.6 | ||||
| 816 | F | 24.6 | Very low | 27.5 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 64% | 0.64 | 75% | 0.746 | S | S | * | * | cis | -178.5 | 166.3 | 39.8 | -125.2 | -28.8 | 0 | 0 | 0 | 113.2 | ||||
| 817 | I | 26 | Very low | 27.7 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | 67.5 | 109.4 | 142.9 | -69.4 | 160 | 0 | 0 | 0 | 120.1 | ||||
| 818 | M | 29 | Very low | 27.7 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | -170.1 | 164.6 | 104.9 | -116 | -70.3 | 111.2 | 0 | 0 | 111.4 | |||||
| 819 | T | 23.8 | Very low | 27.9 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -145.4 | 142.5 | -170.5 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 820 | S | 30.6 | Very low | 28 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -160.5 | 169.2 | 160.8 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 821 | Q | 29.6 | Very low | 28 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -114.4 | -136.2 | -167.2 | -63.5 | 179.5 | -50.6 | 0 | 0 | 113.4 | ||||
| 822 | P | 37.8 | Very low | 28.8 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | -128.4 | 179.4 | -120.9 | 40.5 | -20.2 | 0 | 0 | 0 | 116.6 | |||||
| 823 | N | 24.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 18.2 | 125.9 | 153 | -65.8 | -15.2 | 0 | 0 | 0 | 120.4 | ||||
| 824 | I | 29.7 | Very low | 28.8 | Very low | 153 Ų | 153 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -156.6 | 124.9 | 138.4 | -111.3 | 154.2 | 0 | 0 | 0 | 113.8 | ||||
| 825 | Q | 28.6 | Very low | 28.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | trans | 59.7 | 119.4 | 146.6 | -61.1 | -179.1 | 16.1 | 0 | 0 | 125.1 | ||||
| 826 | L | 25.9 | Very low | 28.9 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 52.9 | 117.6 | 119.4 | -55.4 | 167.7 | 0 | 0 | 0 | 120.9 | |||||
| 827 | K | 28 | Very low | 28.9 | Very low | 208 Ų | 208 | 137.9 Ų | 137.9 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | -163.7 | -169.6 | 85 | -125.3 | 172.9 | -176.6 | 177.8 | 0 | 112.3 | |||||
| 828 | S | 26 | Very low | 28.9 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -113.8 | 179.4 | -154.9 | 59.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 829 | T | 28.5 | Very low | 28.9 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | trans | 77.9 | 109.8 | 148.8 | 34.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 830 | D | 30 | Very low | 29.2 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 97.9 | 156.7 | 133.1 | -52.4 | -20.9 | 0 | 0 | 0 | 122.4 | ||||
| 831 | L | 24.7 | Very low | 29.1 | Very low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -122.2 | -178.5 | -160.2 | -120.9 | 70.9 | 0 | 0 | 0 | 109.5 | ||||
| 832 | P | 40.6 | Very low | 29.1 | Very low | 93 Ų | 93 | 129 Ų | 129 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | cis | -141.3 | -179.4 | -13.1 | 39.3 | -20.2 | 0 | 0 | 0 | 116.7 | ||||
| 833 | N | 29.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 62.2 | 122.3 | 146.8 | -64.6 | -18.2 | 0 | 0 | 0 | 123.6 | ||||
| 834 | A | 30.4 | Very low | 29 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 157.4 | 108.3 | 101.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 835 | V | 29.6 | Very low | 29 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 28.6 | 133.5 | 138.1 | -147.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 836 | V | 28.8 | Very low | 28.9 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 161.3 | 152.5 | 122.2 | 163 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 837 | C | 25.3 | Very low | 29.1 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -80.7 | -168 | -169.9 | -46.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 838 | S | 26.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -169.2 | -176.8 | 17.3 | -152.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 839 | T | 29.7 | Very low | 29 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | 77 | 148.1 | 165.8 | 74.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 840 | N | 29.8 | Very low | 28.8 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | cis | -159.9 | 153.1 | -19.1 | -111.5 | -8.8 | 0 | 0 | 0 | 113.3 | ||||
| 841 | G | 28.8 | Very low | 28.5 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 83.5 | 121.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 842 | G | 28 | Very low | 28.5 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | cis | 107.1 | 134.7 | 3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 843 | A | 29.2 | Very low | 27.7 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | cis | -112.2 | -148.9 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 844 | N | 31.3 | Very low | 27.4 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | cis | -140.7 | 153.3 | 8.1 | -109.8 | -13.7 | 0 | 0 | 0 | 108 | ||||
| 845 | V | 29.7 | Very low | 27.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 65% | 0.648 | 78% | 0.776 | S | S | * | * | 64.2 | 113.4 | 64.1 | -173.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 846 | W | 27.5 | Very low | 27 | Very low | 226 Ų | 226 | 133 Ų | 133 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | cis | -166.2 | 161.4 | -7.5 | -109.6 | 12.1 | 0 | 0 | 0 | 106.5 | ||||
| 847 | N | 28.2 | Very low | 27.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | cis | -152.6 | 166 | -19.1 | -143.7 | -14.6 | 0 | 0 | 0 | 109.1 | ||||
| 848 | T | 24.9 | Very low | 27.2 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -114.5 | -171.3 | 170.1 | 56 | 0 | 0 | 0 | 0 | 109 | ||||
| 849 | K | 28.9 | Very low | 27.2 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | cis | -169 | 179.4 | 30.1 | -142.6 | 160.7 | -160.7 | 172.1 | 0 | 112.3 | ||||
| 850 | N | 23.7 | Very low | 27 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -97.9 | 147.5 | -177.5 | -81.3 | -37.9 | 0 | 0 | 0 | 114 | ||||
| 851 | I | 23.6 | Very low | 26.8 | Very low | 134 Ų | 134 | 140 Ų | 140 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | 54.7 | 108 | 129.2 | -61.2 | 170.8 | 0 | 0 | 0 | 119.9 | |||||
| 852 | T | 24.6 | Very low | 26.7 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | 59.4 | 147.5 | 147.5 | 63.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 853 | I | 24.4 | Very low | 26.7 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | -165.4 | 137.1 | 61.6 | -84.5 | 180 | 0 | 0 | 0 | 110.7 | |||||
| 854 | W | 22.5 | Very low | 26.7 | Very low | 258 Ų | 258 | 144.7 Ų | 144.7 | 98% | 0.977 | 76% | 0.76 | S | S | * | * | trans | 47.8 | 160.9 | 149.1 | -66.4 | 55.6 | 0 | 0 | 0 | 122.9 | ||||
| 855 | D | 25 | Very low | 26.4 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | -102.9 | 154.6 | -170.2 | -156.1 | 26.1 | 0 | 0 | 0 | 111.1 | ||||
| 856 | G | 27.7 | Very low | 26.3 | Very low | 54 Ų | 54 | 146 Ų | 146 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | cis | 174.8 | -174.1 | 0.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 857 | S | 29.7 | Very low | 26.3 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 77.7 | 123.1 | 161.9 | 70.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 858 | N | 28.9 | Very low | 26.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | 61.7 | 126.7 | 145.8 | -55.6 | -18.8 | 0 | 0 | 0 | 121.2 | ||||
| 859 | C | 25.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | cis | 79.2 | 147.5 | 43.8 | -62.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 860 | F | 25.6 | Very low | 26.1 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | cis | -155.2 | 172.7 | 15.4 | -120.6 | -46.4 | 0 | 0 | 0 | 112 | ||||
| 861 | K | 26.1 | Very low | 26.3 | Very low | 208 Ų | 208 | 141 Ų | 141 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | trans | -154.9 | 152.2 | 156.2 | -118.4 | 173 | -172.6 | 179.2 | 0 | 114 | ||||
| 862 | S | 26.1 | Very low | 26.3 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -124 | -169 | -165.6 | 61 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 863 | N | 28.2 | Very low | 26.5 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | -148.7 | -167.2 | 11.6 | -140 | 3.8 | 0 | 0 | 0 | 109.2 | ||||
| 864 | T | 29.2 | Very low | 26.5 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -151.3 | -159.6 | 17.5 | -15.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 865 | N | 25.1 | Very low | 26.8 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | cis | -153.6 | -178.8 | 12.1 | -154.5 | 21.5 | 0 | 0 | 0 | 112.5 | ||||
| 866 | E | 27.3 | Very low | 26.8 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | 62.4 | 76.9 | 153.8 | -84.7 | 164.8 | -119.6 | 0 | 0 | 121.5 | ||||
| 867 | S | 27.6 | Very low | 26.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | 68.3 | 124.2 | 105.1 | -61.7 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 868 | I | 26.1 | Very low | 26.7 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 105 | 105.8 | 130.5 | -73.3 | 167.2 | 0 | 0 | 0 | 122.6 | ||||
| 869 | Q | 27.3 | Very low | 26.5 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 72.4 | 112 | 135.1 | -65.1 | -176.9 | -6.7 | 0 | 0 | 127 | ||||
| 870 | I | 23.2 | Very low | 26.6 | Very low | 144 Ų | 144 | 141 Ų | 141 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | 53.3 | 126.1 | 115.4 | -55.4 | 165.1 | 0 | 0 | 0 | 121.6 | |||||
| 871 | V | 27.7 | Very low | 26.5 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -174.2 | 156.3 | 124.1 | 144.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 872 | D | 23.4 | Very low | 26.4 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -80.7 | 163.6 | -166 | -46.6 | -98.1 | 0 | 0 | 0 | 117.7 | ||||
| 873 | S | 29.3 | Very low | 26.5 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 155.3 | 156.7 | 110.2 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 874 | N | 24.2 | Very low | 26.4 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -98 | 153.2 | 177.1 | -65.7 | -59.5 | 0 | 0 | 0 | 112 | ||||
| 875 | V | 30.1 | Very low | 26.3 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | -169.5 | 166.4 | 140 | 131.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 876 | S | 25.2 | Very low | 26.4 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -131.8 | 167.7 | -170.1 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 877 | K | 27.3 | Very low | 26.5 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | 87.8 | 153.9 | 157.2 | -68.9 | 178.4 | 179.4 | 176.8 | 0 | 121.3 | ||||
| 878 | T | 27 | Very low | 26.6 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | 85.9 | 146.8 | 154.8 | 8.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 879 | A | 24.4 | Very low | 26.8 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -129.7 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 880 | V | 27.5 | Very low | 26.9 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | -176.2 | 167.2 | 139.5 | 142.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 881 | T | 24.5 | Very low | 26.9 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -94.6 | 169.9 | -152.3 | 52.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 882 | S | 23.8 | Very low | 26.9 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 73.5 | 116 | 134.2 | 57.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 883 | T | 28.2 | Very low | 27.1 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | 178.4 | 150.4 | 111.1 | 27.8 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 884 | V | 25.4 | Very low | 27 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | 141.8 | 158.7 | -1.5 | 157.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 885 | V | 27.3 | Very low | 27 | Very low | 124 Ų | 124 | 127 Ų | 127 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 83.9 | 94.2 | -177.4 | -166.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 886 | S | 26.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | 75.3 | 141.4 | 84.3 | -53.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 887 | T | 30.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | -142.1 | 170.7 | 30.5 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 888 | T | 30.7 | Very low | 26.7 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -160.5 | 144.9 | 7.7 | -4.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 889 | T | 29.2 | Very low | 26.7 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 50.7 | 142.7 | 151.1 | 57.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 890 | K | 29.1 | Very low | 26.8 | Very low | 184 Ų | 184 | 130 Ų | 130 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | cis | -160.1 | 160.5 | -6.8 | -94.8 | 157.3 | -175.7 | 176.7 | 0 | 104.2 | ||||
| 891 | G | 23.8 | Very low | 26.9 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | 130.9 | 142.3 | 11.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 892 | Y | 26.8 | Very low | 27 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | 85.1 | 138.5 | 174.8 | -53.9 | -72.6 | 0 | 0 | 0 | 119.9 | ||||
| 893 | S | 27.6 | Very low | 27.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -142.7 | 113.7 | 166.4 | 175 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 894 | T | 28.5 | Very low | 27.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -154.3 | 106 | -177.3 | 46.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 895 | A | 23.5 | Very low | 27.3 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | 34.6 | 148.2 | 138.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 896 | N | 26.8 | Very low | 27.2 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 83 | 145 | 162.2 | -51.3 | -57.3 | 0 | 0 | 0 | 116.9 | ||||
| 897 | L | 25.8 | Very low | 27.2 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | cis | -111.4 | 147.5 | 8.1 | -90.2 | 82.1 | 0 | 0 | 0 | 114.7 | ||||
| 898 | M | 23.3 | Very low | 27 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -88.6 | 171.9 | 152.3 | -72.8 | 174.3 | 62.2 | 0 | 0 | 111 | ||||
| 899 | N | 26.5 | Very low | 26.8 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 80% | 0.799 | S | S | * | * | trans | 77.1 | 141.9 | 160.1 | -66.2 | -14.6 | 0 | 0 | 0 | 116.9 | ||||
| 900 | N | 27.6 | Very low | 26.7 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -132.2 | 148.2 | 19.1 | -97.4 | -49.4 | 0 | 0 | 0 | 114.8 | ||||
| 901 | F | 28.3 | Very low | 26.6 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -63.8 | 169.2 | 154.6 | -77 | -99.4 | 0 | 0 | 0 | 110.9 | ||||
| 902 | P | 28.3 | Very low | 27 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | -127.2 | 167.1 | 108.7 | 36.4 | -32 | 0 | 0 | 0 | 114.2 | |||||
| 903 | R | 24.9 | Very low | 26.9 | Very low | 238 Ų | 238 | 131.7 Ų | 131.7 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 165.2 | -172 | -66.7 | 174.6 | 170.3 | -167.7 | -4.7 | 113.3 | ||||
| 904 | S | 31.6 | Very low | 26.7 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -50.8 | 147 | -177.1 | -39.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 905 | A | 26.4 | Very low | 26.6 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -141 | 152.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 906 | S | 26.2 | Very low | 26.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -52.9 | 126.7 | -171.6 | 50.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 907 | G | 25.4 | Very low | 26.8 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | 72 | 159.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 908 | G | 26.9 | Very low | 26.8 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 127.5 | 102.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 909 | F | 26 | Very low | 27 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -70.2 | 129.7 | 177.3 | -176.2 | -84.6 | 0 | 0 | 0 | 112.6 | ||||
| 910 | I | 27.2 | Very low | 27 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -165 | 141.9 | 149.4 | -93.8 | 143.1 | 0 | 0 | 0 | 106.8 | ||||
| 911 | G | 27.2 | Very low | 27.4 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | -145.9 | 164.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 912 | P | 31.8 | Very low | 27.6 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -135.2 | 156.8 | 162.9 | 38.4 | -24.8 | 0 | 0 | 0 | 115.4 | ||||
| 913 | A | 24.6 | Very low | 27.5 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | 56 | 96.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 914 | E | 23.7 | Very low | 27.5 | Very low | 200 Ų | 200 | 115.7 Ų | 115.7 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | 23.8 | 104.7 | 126.6 | -57.3 | -173.5 | 157.5 | 0 | 0 | 119.7 | |||||
| 915 | S | 27.4 | Very low | 27.2 | Very low | 120 Ų | 120 | 113.2 Ų | 113.2 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -146.8 | 156.2 | 138.6 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 916 | T | 26.1 | Very low | 27.1 | Very low | 142 Ų | 142 | 112.8 Ų | 112.8 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -98.8 | 107.6 | -162.6 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 917 | D | 26.9 | Very low | 27.1 | Very low | 159 Ų | 159 | 117.9 Ų | 117.9 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -145.4 | 151.2 | 159.8 | -123.8 | -38.8 | 0 | 0 | 0 | 113.2 | ||||
| 918 | S | 27.3 | Very low | 27.1 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -116.9 | 54.2 | -152.2 | 59.4 | 0 | 0 | 0 | 0 | 116.9 | S920 | S918-S920 PolarHBondContact O-N 3.15Š| ||
| 919 | S | 25.9 | Very low | 27 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | -92.4 | 81.4 | 173.8 | 61 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 920 | S | 27.2 | Very low | 27 | Very low | 85 Ų | 85 | 121 Ų | 121 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | -119.7 | 71.5 | -175.5 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | S918 | S918-S920 PolarHBondContact O-N 3.15Š| ||
| 921 | V | 35.5 | Very low | 27 | Very low | 46 Ų | 46 | 119 Ų | 119 | 28% | 0.279 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -140.1 | 121.5 | 152.3 | 174.3 | 0 | 0 | 0 | 0 | 107.2 | K1058 | V921-K1058 HydrophobicContact CG2-CB 3.59Å; V921-K1058 HydrophobicContact CG2-CD 4.09Å; V921-K1058 HydrophobicContact CG2-CG 3.67Å |
| 922 | W | 33.3 | Very low | 27 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 28% | 0.28 | 72% | 0.723 | S | S | . | * | trans | 47.4 | 72.8 | 172 | -57.8 | 148 | 0 | 0 | 0 | 115.7 | C924 F1012 L1022 A1065 K1225 | W922-C924 PolarHBondContact O-N 3.22Å; W922-F1012 AromaticContact CH2-CZ 3.94Å; W922-F1012 HydrophobicContact CH2-CZ 3.94Å; W922-L1022 HydrophobicContact CZ3-CB 4.36Å; W922-L1022 HydrophobicContact CZ3-CD2 4.47Å; W922-A1065 HydrophobicContact CZ2-CB 3.64Å; W922-K1225 HydrophobicContact CD2-CD 3.85Å; W922-K1225 HydrophobicContact CE3-CD 3.39Å; W922-K1225 VanDerWaalsContact CG-CE 3.49Å; W922-K1225 HydrophobicContact CH2-CB 4.33Å; W922-K1225 HydrophobicContact CH2-CD 2.66Å; W922-K1225 HydrophobicContact CH2-CG 3.27Å; W922-K1225 HydrophobicContact CZ2-CD 3.21Å; W922-K1225 HydrophobicContact CZ2-CG 3.37Å; W922-K1225 HydrophobicContact CZ3-CD 2.76Å; W922-K1225 HydrophobicContact CZ3-CG 4.04Å | ||
| 923 | T | 26.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | trans | -73.9 | 72.1 | 173.9 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 924 | C | 24.1 | Very low | 26.7 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -96.1 | 171.9 | 138.8 | -159.3 | 0 | 0 | 0 | 0 | 108.4 | W922 | W922-C924 PolarHBondContact O-N 3.22Š|
| 925 | G | 26.2 | Very low | 26.9 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | trans | -59.8 | 144.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 926 | S | 24.8 | Very low | 27.1 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | -105.8 | 118.8 | 163 | -71.4 | 0 | 0 | 0 | 0 | 109.4 | R1187 | S926-R1187 PolarHBondContact OG-NH2 3.08Š| ||
| 927 | Y | 25.5 | Very low | 27.1 | Very low | 229 Ų | 229 | 127.6 Ų | 127.6 | 90% | 0.898 | 71% | 0.707 | S | S | * | * | trans | -82.1 | 153.5 | 156.8 | -84.8 | -81.6 | 0 | 0 | 0 | 110.1 | ||||
| 928 | N | 24.4 | Very low | 27.2 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | trans | -115.5 | 129.7 | -176.6 | -165.6 | 22.9 | 0 | 0 | 0 | 107.6 | ||||
| 929 | N | 26.6 | Very low | 27.2 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -143.1 | 145.5 | -175.7 | -159.1 | -2.2 | 0 | 0 | 0 | 110.8 | ||||
| 930 | N | 24.3 | Very low | 27.3 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | trans | -152.6 | 121.6 | -174.6 | -118.4 | -18.8 | 0 | 0 | 0 | 112.3 | ||||
| 931 | N | 27.5 | Very low | 27.3 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | 73 | 91.6 | 148.8 | -62.4 | -29.4 | 0 | 0 | 0 | 121.3 | ||||
| 932 | N | 27.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 119.7 | 123.3 | 101.3 | -78.1 | -29.5 | 0 | 0 | 0 | 121 | |||||
| 933 | R | 24.8 | Very low | 27.2 | Very low | 222 Ų | 222 | 146 Ų | 146 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | 96.7 | 99.6 | 132.5 | -89.5 | -173.4 | 175.6 | -174 | -1.4 | 122.7 | ||||
| 934 | S | 26.3 | Very low | 28.1 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 63.4 | 139.9 | 118.2 | 60 | 0 | 0 | 0 | 0 | 121 | |||||
| 935 | R | 27.5 | Very low | 29.7 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | cis | -168.4 | -166.7 | -2.5 | -156.7 | -161.6 | 161.1 | -163 | -5.3 | 108.3 | ||||
| 936 | P | 32 | Very low | 31.6 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | -109.1 | 173.1 | -107.6 | 42.4 | -26.7 | 0 | 0 | 0 | 116.9 | |||||
| 937 | T | 25.9 | Very low | 34 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 87% | 0.865 | 69% | 0.694 | S | S | * | * | trans | -132 | 164.3 | 149.9 | 35.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 938 | T | 27.9 | Very low | 36.6 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 85% | 0.847 | 65% | 0.652 | S | S | * | * | trans | -102.8 | 125.1 | -162.8 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 939 | L | 27.9 | Very low | 39.3 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 88% | 0.88 | 63% | 0.631 | S | S | * | * | trans | -147.9 | 143.4 | 161.5 | -152.4 | 70.3 | 0 | 0 | 0 | 110.9 | ||||
| 940 | R | 28.1 | Very low | 41.9 | Very low | 232 Ų | 232 | 120.8 Ų | 120.8 | 88% | 0.875 | 61% | 0.611 | S | S | * | * | trans | 19.7 | 111.1 | 177.6 | -80.4 | -176.4 | 166.9 | 171.3 | -3.8 | 117.8 | S942 | R940-S942 VanDerWaalsContact C-N 3.3Å; R940-S942 PolarHBondContact O-N 3.3Å | ||
| 941 | K | 27.1 | Very low | 44.4 | Very low | 218 Ų | 218 | 118.6 Ų | 118.6 | 95% | 0.948 | 62% | 0.619 | S | S | * | * | trans | -64.8 | 84.1 | 161 | -71.1 | 178.6 | -178.2 | 169.6 | 0 | 110.7 | ||||
| 942 | S | 30.8 | Very low | 47.1 | Very low | 88 Ų | 88 | 116 Ų | 116 | 62% | 0.615 | 60% | 0.602 | S | S | * | * | trans | -69.8 | 140.5 | 156.1 | 56.1 | 0 | 0 | 0 | 0 | 109 | R940 Q944 | R940-S942 VanDerWaalsContact C-N 3.3Å; R940-S942 PolarHBondContact O-N 3.3Å; S942-Q944 VanDerWaalsContact C-N 3.33Å; S942-Q944 PolarHBondContact O-N 3.42Å | ||
| 943 | T | 35.7 | Very low | 49.7 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 62% | 0.62 | 60% | 0.599 | S | S | * | * | trans | -71.4 | 89.8 | 178.8 | -36.3 | 0 | 0 | 0 | 0 | 109 | Q945 L1098 | T943-Q945 PolarHBondContact O-N 3.4Å; T943-L1098 HydrophobicContact CG2-CD2 4.37Å | ||
| 944 | Q | 45.2 | Very low | 52.6 | Low | 146 Ų | 146 | 105 Ų | 105 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | trans | -60.5 | 104.4 | -179.6 | -71.2 | -174.6 | -14.8 | 0 | 0 | 109.9 | S942 I946 | S942-Q944 VanDerWaalsContact C-N 3.33Å; S942-Q944 PolarHBondContact O-N 3.42Å; Q944-I946 PolarHBondContact O-N 3.18Å; Q944-I946 VanDerWaalsContact O-N 3.16Å | ||
| 945 | Q | 58.1 | Low | 55.6 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 19% | 0.187 | 54% | 0.541 | C | S | . | . | trans | -68.8 | 107.2 | 173.9 | -75.7 | 179.1 | 50.4 | 0 | 0 | 108.6 | T943 Y947 V1096 L1098 G1179 | T943-Q945 PolarHBondContact O-N 3.4Å; Q945-Y947 HydrophobicContact CB-CE2 4.45Å; Q945-Y947 WeakPolarHBondContact O-CD2 3.35Å; Q945-Y947 PolarHBondContact O-N 3.27Å; Q945-V1096 HydrophobicContact CB-CG1 3.65Å; Q945-V1096 HydrophobicContact CB-CG2 4.45Å; Q945-V1096 HydrophobicContact CG-CG1 3.66Å; Q945-L1098 HydrophobicContact CG-CD2 4.14Å; Q945-G1179 PolarHBondContact NE2-O 2.86Å; Q945-G1179 PolarHBondContact OE1-O 3.42Å | ||
| 946 | I | 65.6 | Low | 58.5 | Low | 71 Ų | 71 | 94.5 Ų | 94.5 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.2 | 175.7 | -61.6 | 177.6 | 0 | 0 | 0 | 107.1 | Q944 V1096 I1097 | Q944-I946 PolarHBondContact O-N 3.18Å; Q944-I946 VanDerWaalsContact O-N 3.16Å; I946-V1096 CarbonylContact O-C 3.5Å; I946-V1096 WeakPolarHBondContact O-CA 3.01Å; I946-I1097 HydrophobicContact CB-CB 4.5Å; I946-I1097 HydrophobicContact CB-CD1 4.38Å; I946-I1097 HydrophobicContact CG2-CD1 4.19Å; I946-I1097 PolarHBondContact N-O 3.26Å; I946-I1097 WeakPolarHBondContact O-CD1 3.2Å; I946-I1097 PolarHBondContact O-N 3.44Å |
| 947 | Y | 75.5 | Confident | 61.2 | Low | 15 Ų | 15 | 93.8 Ų | 93.8 | 6% | 0.059 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 146.8 | 175.5 | -75.2 | -97.5 | 0 | 0 | 0 | 110.7 | Q945 H949 S1095 V1096 W1185 A1191 H1192 R1195 | Q945-Y947 HydrophobicContact CB-CE2 4.45Å; Q945-Y947 WeakPolarHBondContact O-CD2 3.35Å; Q945-Y947 PolarHBondContact O-N 3.27Å; Y947-H949 PolarHBondContact O-CD2 3.27Å; Y947-H949 PolarHBondContact O-N 3.48Å; Y947-S1095 WeakPolarHBondContact CA-O 3.32Å; Y947-V1096 HydrophobicContact CD1-CG2 4.04Å; Y947-V1096 HydrophobicContact CE1-CG2 3.93Å; Y947-V1096 HydrophobicContact CG-CG2 4.46Å; Y947-W1185 HydrophobicContact CD2-CH2 4.17Å; Y947-W1185 HydrophobicContact CD2-CZ3 4.46Å; Y947-W1185 AromaticContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CZ2 4.37Å; Y947-W1185 HydrophobicContact CE2-CZ3 4.27Å; Y947-W1185 AromaticContact CZ-CH2 3.95Å; Y947-A1191 HydrophobicContact CD1-CB 4.18Å; Y947-H1192 AromaticContact CG-NE2 3.86Å; Y947-R1195 HydrophobicContact CE1-CB 3.99Å; Y947-R1195 HydrophobicContact CE1-CG 4.06Å |
| 948 | V | 80.7 | Confident | 64.4 | Low | 2 Ų | 2 | 87.2 Ų | 87.2 | 1% | 0.012 | 48% | 0.484 | C | S | . | . | trans | -80.3 | 111.8 | -175.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | A954 F955 F958 A1094 S1095 I1097 A1191 | V948-A954 HydrophobicContact CG1-CB 4.33Å; V948-A954 HydrophobicContact CG2-CB 4.01Å; V948-F955 VanDerWaalsContact CG1-CA 3.41Å; V948-F955 HydrophobicContact CG1-CB 3.86Å; V948-F955 HydrophobicContact CG1-CD2 4.07Å; V948-F955 HydrophobicContact CG1-CG 4.46Å; V948-F958 HydrophobicContact CB-CB 4.49Å; V948-F958 HydrophobicContact CG1-CB 3.89Å; V948-F958 HydrophobicContact CG1-CG 4.38Å; V948-A1094 WeakPolarHBondContact CG2-O 3.36Å; V948-S1095 PolarHBondContact N-O 3.1Å; V948-I1097 HydrophobicContact CG2-CD1 3.58Å; V948-I1097 HydrophobicContact CG2-CG1 4.4Å; V948-A1191 WeakPolarHBondContact O-CB 3.39Å | ||
| 949 | H | 81.4 | Confident | 67.6 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 38% | 0.384 | 45% | 0.449 | S | S | . | . | trans | -105.9 | 156.9 | 178.5 | -71.3 | -88.1 | 0 | 0 | 0 | 112.1 | Y947 G951 H952 | Y947-H949 PolarHBondContact O-CD2 3.27Å; Y947-H949 PolarHBondContact O-N 3.48Å; H949-G951 PolarHBondContact O-N 3.5Å; H949-H952 WeakPolarHBondContact O-CB 3.49Å; H949-H952 PolarHBondContact O-N 3.19Å | ||
| 950 | P | 79.7 | Confident | 70.7 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.8 | 173.9 | -22.3 | 31.3 | 0 | 0 | 0 | 111.7 | H952 F955 V1057 | P950-H952 VanDerWaalsContact C-N 3.33Å; P950-F955 HydrophobicContact CB-CE1 4.44Å; P950-F955 HydrophobicContact CB-CE2 4.29Å; P950-F955 HydrophobicContact CB-CZ 4.22Å; P950-F955 HydrophobicContact CG-CD2 4.42Å; P950-F955 HydrophobicContact CG-CE2 3.83Å; P950-F955 HydrophobicContact CG-CZ 3.97Å; P950-V1057 HydrophobicContact CB-CG2 3.89Å; P950-V1057 HydrophobicContact CG-CB 4.11Å; P950-V1057 HydrophobicContact CG-CG1 3.57Å; P950-V1057 HydrophobicContact CG-CG2 3.39Å |
| 951 | G | 78.4 | Confident | 73.7 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 85% | 0.845 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -14.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H949 | H949-G951 PolarHBondContact O-N 3.5Š|
| 952 | H | 82.6 | Confident | 77 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -73.2 | 139.1 | 168.5 | -169.5 | -90.3 | 0 | 0 | 0 | 110.4 | H949 P950 A954 F955 I1097 | H949-H952 WeakPolarHBondContact O-CB 3.49Å; H949-H952 PolarHBondContact O-N 3.19Å; P950-H952 VanDerWaalsContact C-N 3.33Å; H952-A954 VanDerWaalsContact C-N 3.27Å; H952-A954 WeakPolarHBondContact ND1-CB 3.46Å; H952-A954 PolarHBondContact ND1-N 3.45Å; H952-A954 VanDerWaalsContact ND1-N 3.18Å; H952-A954 PolarHBondContact O-N 2.79Å; H952-F955 WeakPolarHBondContact O-CB 3.47Å; H952-F955 PolarHBondContact O-N 3.01Å; H952-I1097 WeakPolarHBondContact CE1-CD1 3.45Å |
| 953 | P | 82.9 | Confident | 80 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -35.8 | -178.1 | 18.9 | -32.7 | 0 | 0 | 0 | 114 | F955 S956 | P953-F955 PolarHBondContact O-N 2.87Å; P953-S956 PolarHBondContact O-OG 2.88Å; P953-S956 VanDerWaalsContact O-OG 3.13Å |
| 954 | A | 86.1 | Confident | 82.7 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | V948 H952 S956 S957 F958 I1097 | V948-A954 HydrophobicContact CG1-CB 4.33Å; V948-A954 HydrophobicContact CG2-CB 4.01Å; H952-A954 VanDerWaalsContact C-N 3.27Å; H952-A954 WeakPolarHBondContact ND1-CB 3.46Å; H952-A954 PolarHBondContact ND1-N 3.45Å; H952-A954 VanDerWaalsContact ND1-N 3.18Å; H952-A954 PolarHBondContact O-N 2.79Å; A954-S956 VanDerWaalsContact C-N 3.29Å; A954-S956 PolarHBondContact O-N 2.9Å; A954-S957 WeakPolarHBondContact O-CB 3.24Å; A954-S957 PolarHBondContact O-N 3.24Å; A954-S957 VanDerWaalsContact O-N 3.13Å; A954-F958 PolarHBondContact O-N 3.07Å; A954-I1097 HydrophobicContact CB-CD1 4.44Å; A954-I1097 HydrophobicContact CB-CG1 4.39Å |
| 955 | F | 89.2 | Confident | 84.9 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 179.9 | -172.5 | -99.3 | 0 | 0 | 0 | 112 | V948 P950 H952 P953 S957 F958 I959 L1060 | V948-F955 VanDerWaalsContact CG1-CA 3.41Å; V948-F955 HydrophobicContact CG1-CB 3.86Å; V948-F955 HydrophobicContact CG1-CD2 4.07Å; V948-F955 HydrophobicContact CG1-CG 4.46Å; P950-F955 HydrophobicContact CB-CE1 4.44Å; P950-F955 HydrophobicContact CB-CE2 4.29Å; P950-F955 HydrophobicContact CB-CZ 4.22Å; P950-F955 HydrophobicContact CG-CD2 4.42Å; P950-F955 HydrophobicContact CG-CE2 3.83Å; P950-F955 HydrophobicContact CG-CZ 3.97Å; H952-F955 WeakPolarHBondContact O-CB 3.47Å; H952-F955 PolarHBondContact O-N 3.01Å; P953-F955 PolarHBondContact O-N 2.87Å; F955-S957 VanDerWaalsContact C-N 3.32Å; F955-S957 PolarHBondContact O-N 2.67Å; F955-F958 HydrophobicContact CD2-CD1 4.24Å; F955-F958 HydrophobicContact CE2-CD1 4.23Å; F955-F958 PolarHBondContact O-N 3.26Å; F955-I959 HydrophobicContact CD1-CD1 4.31Å; F955-I959 HydrophobicContact CD1-CG1 4.43Å; F955-I959 HydrophobicContact CD1-CG2 4.4Å; F955-I959 HydrophobicContact CE1-CD1 3.82Å; F955-I959 HydrophobicContact CE1-CG1 4.29Å; F955-I959 HydrophobicContact CE1-CG2 3.93Å; F955-I959 HydrophobicContact CE2-CG2 4.05Å; F955-I959 HydrophobicContact CZ-CG2 3.73Å; F955-I959 WeakPolarHBondContact O-CG1 3.44Å; F955-I959 PolarHBondContact O-N 3.15Å; F955-L1060 HydrophobicContact CE2-CD2 4.18Å; F955-L1060 HydrophobicContact CZ-CD2 3.85Å |
| 956 | S | 87.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65 | -34 | 173.4 | 60 | 0 | 0 | 0 | 0 | 112.6 | P953 A954 G960 | P953-S956 PolarHBondContact O-OG 2.88Å; P953-S956 VanDerWaalsContact O-OG 3.13Å; A954-S956 VanDerWaalsContact C-N 3.29Å; A954-S956 PolarHBondContact O-N 2.9Å; S956-G960 WeakPolarHBondContact O-CA 3.4Å; S956-G960 PolarHBondContact O-N 3.15Å |
| 957 | S | 89.4 | Confident | 87.6 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.2 | -42.5 | 172.9 | -52 | 0 | 0 | 0 | 0 | 111.4 | A954 F955 G960 R1091 | A954-S957 WeakPolarHBondContact O-CB 3.24Å; A954-S957 PolarHBondContact O-N 3.24Å; A954-S957 VanDerWaalsContact O-N 3.13Å; F955-S957 VanDerWaalsContact C-N 3.32Å; F955-S957 PolarHBondContact O-N 2.67Å; S957-G960 PolarHBondContact O-N 3.36Å; S957-R1091 PolarHBondContact O-NH1 3.46Å |
| 958 | F | 93.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.7 | -49 | 176.9 | 176.3 | -114.8 | 0 | 0 | 0 | 112.1 | V948 A954 F955 L1060 W1064 R1091 A1190 A1191 A1194 | V948-F958 HydrophobicContact CB-CB 4.49Å; V948-F958 HydrophobicContact CG1-CB 3.89Å; V948-F958 HydrophobicContact CG1-CG 4.38Å; A954-F958 PolarHBondContact O-N 3.07Å; F955-F958 HydrophobicContact CD2-CD1 4.24Å; F955-F958 HydrophobicContact CE2-CD1 4.23Å; F955-F958 PolarHBondContact O-N 3.26Å; F958-L1060 HydrophobicContact CE1-CD2 4.38Å; F958-W1064 AromaticContact CZ-NE1 3.85Å; F958-R1091 HydrophobicContact CE2-CB 4.47Å; F958-R1091 WeakPolarHBondContact CE2-O 3.28Å; F958-R1091 WeakPolarHBondContact O-CD 3.47Å; F958-R1091 PolarHBondContact O-NE 3.49Å; F958-R1091 PolarHBondContact O-NH1 3.43Å; F958-A1190 HydrophobicContact CE1-CB 3.97Å; F958-A1190 HydrophobicContact CZ-CB 4.25Å; F958-A1191 HydrophobicContact CZ-CB 4.41Å; F958-A1194 HydrophobicContact CE2-CB 3.53Å; F958-A1194 HydrophobicContact CZ-CB 3.71Å |
| 959 | I | 94 | Very high | 88.7 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -90 | -1.6 | 178.3 | 76 | 164.3 | 0 | 0 | 0 | 114.2 | F955 S1053 L1060 | F955-I959 HydrophobicContact CD1-CD1 4.31Å; F955-I959 HydrophobicContact CD1-CG1 4.43Å; F955-I959 HydrophobicContact CD1-CG2 4.4Å; F955-I959 HydrophobicContact CE1-CD1 3.82Å; F955-I959 HydrophobicContact CE1-CG1 4.29Å; F955-I959 HydrophobicContact CE1-CG2 3.93Å; F955-I959 HydrophobicContact CE2-CG2 4.05Å; F955-I959 HydrophobicContact CZ-CG2 3.73Å; F955-I959 WeakPolarHBondContact O-CG1 3.44Å; F955-I959 PolarHBondContact O-N 3.15Å; I959-S1053 WeakPolarHBondContact O-CA 3.16Å; I959-S1053 PolarHBondContact O-N 3.38Å; I959-L1060 HydrophobicContact CG2-CD2 3.62Å |
| 960 | G | 92.3 | Very high | 89 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -69.6 | -164.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S956 S957 T1052 R1091 | S956-G960 WeakPolarHBondContact O-CA 3.4Å; S956-G960 PolarHBondContact O-N 3.15Å; S957-G960 PolarHBondContact O-N 3.36Å; G960-T1052 WeakPolarHBondContact O-CG2 3.33Å; G960-R1091 PolarHBondContact O-NH1 2.92Å; G960-R1091 PolarHBondContact O-NH2 2.92Å |
| 961 | P | 93.1 | Very high | 88.9 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | trans | -50.5 | 166.8 | 171.8 | -21.8 | 29.6 | 0 | 0 | 0 | 114 | F976 R1091 | P961-F976 HydrophobicContact CB-CD2 4.09Å; P961-F976 HydrophobicContact CB-CE2 3.92Å; P961-F976 HydrophobicContact CG-CD2 4.26Å; P961-F976 HydrophobicContact CG-CE2 3.67Å; P961-F976 HydrophobicContact CG-CZ 4.41Å; P961-R1091 PolarHBondContact O-NH1 3.08Å; P961-R1091 VanDerWaalsContact O-NH1 3.1Å; P961-R1091 PolarHBondContact O-NH2 2.89Å; P961-R1091 VanDerWaalsContact O-NH2 3.16Å | ||
| 962 | F | 94.7 | Very high | 89.1 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | trans | -147.5 | 134.9 | 160.5 | 178.9 | -89.7 | 0 | 0 | 0 | 108.7 | W964 A1086 Y1087 | F962-W964 AromaticContact CD1-CD1 3.72Å; F962-W964 AromaticContact CD1-CD2 3.72Å; F962-W964 HydrophobicContact CD1-CD2 3.72Å; F962-W964 AromaticContact CD1-CE2 3.62Å; F962-W964 HydrophobicContact CD1-CE3 4.39Å; F962-W964 AromaticContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CZ2 4.21Å; F962-W964 AromaticContact CD1-NE1 3.61Å; F962-W964 AromaticContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CE3 4.21Å; F962-W964 HydrophobicContact CE1-CG 4.27Å; F962-W964 PolarHBondContact O-N 3.39Å; F962-A1086 HydrophobicContact CZ-CB 3.98Å; F962-Y1087 HydrophobicContact CB-CD2 3.93Å; F962-Y1087 HydrophobicContact CB-CE2 4.14Å; F962-Y1087 AromaticContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD2-CD2 4.05Å; F962-Y1087 HydrophobicContact CE1-CD2 4.47Å; F962-Y1087 AromaticContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CE2 4.39Å | ||
| 963 | D | 93.5 | Very high | 89.2 | Confident | 148 Ų | 148 | 64 Ų | 64 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | trans | -83.2 | 78 | -172.1 | -59.4 | -37.8 | 0 | 0 | 0 | 111.2 | ||||
| 964 | W | 93.7 | Very high | 89.5 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.045 | 37% | 0.365 | C | S | . | . | trans | -70 | 132.8 | 177.5 | -64.4 | 93.2 | 0 | 0 | 0 | 111.8 | F962 S966 L968 F969 I975 M979 C1048 F1080 H1083 Y1087 | F962-W964 AromaticContact CD1-CD1 3.72Å; F962-W964 AromaticContact CD1-CD2 3.72Å; F962-W964 HydrophobicContact CD1-CD2 3.72Å; F962-W964 AromaticContact CD1-CE2 3.62Å; F962-W964 HydrophobicContact CD1-CE3 4.39Å; F962-W964 AromaticContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CZ2 4.21Å; F962-W964 AromaticContact CD1-NE1 3.61Å; F962-W964 AromaticContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CE3 4.21Å; F962-W964 HydrophobicContact CE1-CG 4.27Å; F962-W964 PolarHBondContact O-N 3.39Å; W964-S966 PolarHBondContact O-N 2.68Å; W964-L968 HydrophobicContact CE3-CD1 4.15Å; W964-F969 HydrophobicContact CB-CE2 3.41Å; W964-F969 VanDerWaalsContact CB-CE2 3.41Å; W964-F969 HydrophobicContact CB-CZ 3.5Å; W964-F969 HydrophobicContact CD2-CZ 4.21Å; W964-F969 HydrophobicContact CG-CE2 4.22Å; W964-F969 AromaticContact CG-CZ 3.8Å; W964-F969 HydrophobicContact CG-CZ 3.8Å; W964-I975 HydrophobicContact CB-CG2 3.97Å; W964-M979 HydrophobicContact CD2-CE 4.37Å; W964-M979 HydrophobicContact CG-CG 4.44Å; W964-M979 HydrophobicContact CZ2-CE 3.73Å; W964-C1048 HydrophobicContact CH2-CB 4.11Å; W964-C1048 HydrophobicContact CZ2-CB 3.75Å; W964-F1080 HydrophobicContact CE3-CE2 4.46Å; W964-F1080 HydrophobicContact CH2-CE2 4.5Å; W964-F1080 HydrophobicContact CH2-CZ 4.03Å; W964-F1080 AromaticContact CZ3-CE2 3.78Å; W964-F1080 HydrophobicContact CZ3-CE2 3.78Å; W964-F1080 AromaticContact CZ3-CZ 3.75Å; W964-F1080 HydrophobicContact CZ3-CZ 3.75Å; W964-H1083 HydrophobicContact CZ3-CB 4.34Å; W964-Y1087 AromaticContact CE2-CD2 3.97Å; W964-Y1087 AromaticContact CH2-CD2 3.98Å; W964-Y1087 HydrophobicContact CH2-CD2 3.98Å; W964-Y1087 AromaticContact CH2-CG 3.88Å; W964-Y1087 HydrophobicContact CH2-CG 3.88Å; W964-Y1087 AromaticContact CZ2-CD2 3.3Å; W964-Y1087 HydrophobicContact CZ2-CD2 3.3Å; W964-Y1087 AromaticContact CZ2-CE2 3.9Å; W964-Y1087 HydrophobicContact CZ2-CE2 3.9Å; W964-Y1087 AromaticContact CZ2-CG 3.68Å; W964-Y1087 HydrophobicContact CZ2-CG 3.68Å | ||
| 965 | P | 92.2 | Very high | 89.7 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | trans | -59.1 | 128.2 | 175.3 | -30.1 | 39.5 | 0 | 0 | 0 | 113.3 | H967 L968 | P965-H967 WeakPolarHBondContact CB-ND1 3.42Å; P965-H967 PolarHBondContact O-N 3.29Å; P965-H967 VanDerWaalsContact O-N 3.14Å; P965-L968 WeakPolarHBondContact O-CB 3.19Å; P965-L968 PolarHBondContact O-N 3.45Å | ||
| 966 | S | 88.5 | Confident | 89.7 | Confident | 86 Ų | 86 | 67.9 Ų | 67.9 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -57.2 | -32.7 | -173.2 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | W964 L968 F969 | W964-S966 PolarHBondContact O-N 2.68Å; S966-L968 PolarHBondContact O-N 3Å; S966-F969 PolarHBondContact O-N 2.85Å; S966-F969 VanDerWaalsContact O-O 3.08Å |
| 967 | H | 90.5 | Very high | 89.8 | Confident | 121 Ų | 121 | 68.3 Ų | 68.3 | 56% | 0.56 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61.5 | -10.5 | -179.8 | 77.6 | -95 | 0 | 0 | 0 | 115 | P965 H1083 | P965-H967 WeakPolarHBondContact CB-ND1 3.42Å; P965-H967 PolarHBondContact O-N 3.29Å; P965-H967 VanDerWaalsContact O-N 3.14Å; H967-H1083 AromaticContact CE1-CE1 3.66Å; H967-H1083 AromaticContact CE1-NE2 3.41Å; H967-H1083 PolarHBondContact CE1-NE2 3.45Å; H967-H1083 AromaticContact NE2-CE1 3.49Å; H967-H1083 PolarHBondContact NE2-CE1 2.64Å; H967-H1083 AromaticContact NE2-NE2 3.74Å |
| 968 | L | 89.6 | Confident | 89.9 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -80.3 | -26.6 | 174.6 | -63.2 | 175.1 | 0 | 0 | 0 | 112.9 | W964 P965 S966 L991 I992 F1080 H1083 | W964-L968 HydrophobicContact CE3-CD1 4.15Å; P965-L968 WeakPolarHBondContact O-CB 3.19Å; P965-L968 PolarHBondContact O-N 3.45Å; S966-L968 PolarHBondContact O-N 3Å; L968-L991 HydrophobicContact CB-CD2 4.2Å; L968-L991 CarbonylContact O-C 3.37Å; L968-L991 WeakPolarHBondContact O-CA 3.34Å; L968-I992 PolarHBondContact O-N 2.73Å; L968-F1080 HydrophobicContact CD1-CE2 4.37Å; L968-H1083 HydrophobicContact CD1-CB 4.09Å |
| 969 | F | 90.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -116.2 | 161.3 | -172.8 | -40.7 | -86.4 | 0 | 0 | 0 | 110.7 | W964 S966 I975 L978 M979 I990 L991 I992 | W964-F969 HydrophobicContact CB-CE2 3.41Å; W964-F969 VanDerWaalsContact CB-CE2 3.41Å; W964-F969 HydrophobicContact CB-CZ 3.5Å; W964-F969 HydrophobicContact CD2-CZ 4.21Å; W964-F969 HydrophobicContact CG-CE2 4.22Å; W964-F969 AromaticContact CG-CZ 3.8Å; W964-F969 HydrophobicContact CG-CZ 3.8Å; S966-F969 PolarHBondContact O-N 2.85Å; S966-F969 VanDerWaalsContact O-O 3.08Å; F969-I975 HydrophobicContact CD2-CD1 3.81Å; F969-I975 HydrophobicContact CD2-CG1 3.86Å; F969-I975 HydrophobicContact CD2-CG2 4.05Å; F969-I975 HydrophobicContact CE2-CD1 4.22Å; F969-I975 HydrophobicContact CE2-CG1 4.34Å; F969-I975 HydrophobicContact CE2-CG2 3.68Å; F969-I975 HydrophobicContact CG-CG1 4.38Å; F969-I975 HydrophobicContact CZ-CG2 4.07Å; F969-L978 HydrophobicContact CB-CD2 4.1Å; F969-L978 HydrophobicContact CD1-CD2 3.57Å; F969-L978 HydrophobicContact CE1-CD2 4.33Å; F969-L978 HydrophobicContact CG-CD2 4.04Å; F969-M979 HydrophobicContact CE1-CG 3.91Å; F969-M979 HydrophobicContact CE1-SD 3.87Å; F969-M979 HydrophobicContact CZ-CG 4.04Å; F969-M979 HydrophobicContact CZ-SD 4.39Å; F969-I990 HydrophobicContact CD1-CG2 3.82Å; F969-I990 HydrophobicContact CE1-CG2 3.62Å; F969-L991 HydrophobicContact CE1-CD2 4.42Å; F969-I992 WeakPolarHBondContact O-CD1 3.46Å |
| 970 | K | 86.1 | Confident | 89.8 | Confident | 130 Ų | 130 | 65.3 Ų | 65.3 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | trans | -62.6 | 148.2 | 175.5 | -67.2 | -170.4 | 167.1 | -150.3 | 0 | 110.7 | Q973 I992 | K970-Q973 HydrophobicContact CB-CG 4.15Å; K970-I992 HydrophobicContact CG-CG1 4.21Å | ||
| 971 | A | 79.3 | Confident | 90 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 154.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q973 | A971-Q973 PolarHBondContact O-N 2.85Å; A971-Q973 VanDerWaalsContact O-N 3.12Å |
| 972 | D | 81.8 | Confident | 90 | Very high | 174 Ų | 174 | 65.2 Ų | 65.2 | 93% | 0.93 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 16.6 | 175.4 | -37.3 | -44.8 | 0 | 0 | 0 | 114.9 | ||
| 973 | Q | 83.6 | Confident | 89.7 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | trans | -101.2 | 123.7 | 170.8 | -60.4 | -166.9 | -14.1 | 0 | 0 | 110.3 | K970 A971 I975 L978 | K970-Q973 HydrophobicContact CB-CG 4.15Å; A971-Q973 PolarHBondContact O-N 2.85Å; A971-Q973 VanDerWaalsContact O-N 3.12Å; Q973-I975 PolarHBondContact O-N 3Å; Q973-L978 HydrophobicContact CB-CD2 4.34Å | ||
| 974 | D | 89.9 | Confident | 89.2 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -61.7 | 106.8 | 164.4 | 169.9 | 19.7 | 0 | 0 | 0 | 109.2 | F976 T977 L978 | D974-F976 VanDerWaalsContact C-N 3.26Å; D974-F976 PolarHBondContact O-N 2.85Å; D974-F976 WeakPolarHBondContact OD1-CB 3.37Å; D974-F976 PolarHBondContact OD1-N 3.43Å; D974-T977 PolarHBondContact OD1-N 2.8Å; D974-T977 WeakPolarHBondContact OD2-CB 3.49Å; D974-T977 PolarHBondContact OD2-N 3.36Å; D974-T977 VanDerWaalsContact OD2-N 3.15Å; D974-T977 PolarHBondContact OD2-OG1 2.65Å; D974-L978 WeakPolarHBondContact O-CB 3.35Å; D974-L978 PolarHBondContact O-N 3.34Å | ||
| 975 | I | 89.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 70 Ų | 70 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -32.6 | -178.4 | -60.4 | 172.8 | 0 | 0 | 0 | 110.9 | W964 F969 Q973 L978 M979 | W964-I975 HydrophobicContact CB-CG2 3.97Å; F969-I975 HydrophobicContact CD2-CD1 3.81Å; F969-I975 HydrophobicContact CD2-CG1 3.86Å; F969-I975 HydrophobicContact CD2-CG2 4.05Å; F969-I975 HydrophobicContact CE2-CD1 4.22Å; F969-I975 HydrophobicContact CE2-CG1 4.34Å; F969-I975 HydrophobicContact CE2-CG2 3.68Å; F969-I975 HydrophobicContact CG-CG1 4.38Å; F969-I975 HydrophobicContact CZ-CG2 4.07Å; Q973-I975 PolarHBondContact O-N 3Å; I975-L978 PolarHBondContact O-N 2.88Å; I975-M979 HydrophobicContact CG2-CG 4.41Å; I975-M979 WeakPolarHBondContact O-CB 3.49Å; I975-M979 PolarHBondContact O-N 3.45Å |
| 976 | F | 89.8 | Confident | 87.7 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.7 | -53.5 | -179.2 | 177.6 | -113.1 | 0 | 0 | 0 | 111 | P961 D974 L978 M979 S980 | P961-F976 HydrophobicContact CB-CD2 4.09Å; P961-F976 HydrophobicContact CB-CE2 3.92Å; P961-F976 HydrophobicContact CG-CD2 4.26Å; P961-F976 HydrophobicContact CG-CE2 3.67Å; P961-F976 HydrophobicContact CG-CZ 4.41Å; D974-F976 VanDerWaalsContact C-N 3.26Å; D974-F976 PolarHBondContact O-N 2.85Å; D974-F976 WeakPolarHBondContact OD1-CB 3.37Å; D974-F976 PolarHBondContact OD1-N 3.43Å; F976-L978 VanDerWaalsContact C-N 3.28Å; F976-L978 PolarHBondContact O-N 2.84Å; F976-M979 PolarHBondContact O-N 3.43Å; F976-S980 WeakPolarHBondContact O-CB 3.43Å; F976-S980 PolarHBondContact O-N 2.91Å |
| 977 | T | 90.2 | Very high | 86.8 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | D974 S980 | D974-T977 PolarHBondContact OD1-N 2.8Å; D974-T977 WeakPolarHBondContact OD2-CB 3.49Å; D974-T977 PolarHBondContact OD2-N 3.36Å; D974-T977 VanDerWaalsContact OD2-N 3.15Å; D974-T977 PolarHBondContact OD2-OG1 2.65Å; T977-S980 PolarHBondContact O-OG 3.44Å |
| 978 | L | 91.2 | Very high | 86.3 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -36 | 176.2 | -176.7 | 66.6 | 0 | 0 | 0 | 112.4 | F969 Q973 D974 I975 F976 F986 K1049 | F969-L978 HydrophobicContact CB-CD2 4.1Å; F969-L978 HydrophobicContact CD1-CD2 3.57Å; F969-L978 HydrophobicContact CE1-CD2 4.33Å; F969-L978 HydrophobicContact CG-CD2 4.04Å; Q973-L978 HydrophobicContact CB-CD2 4.34Å; D974-L978 WeakPolarHBondContact O-CB 3.35Å; D974-L978 PolarHBondContact O-N 3.34Å; I975-L978 PolarHBondContact O-N 2.88Å; F976-L978 VanDerWaalsContact C-N 3.28Å; F976-L978 PolarHBondContact O-N 2.84Å; L978-F986 HydrophobicContact CD1-CE2 4.12Å; L978-F986 HydrophobicContact CD1-CZ 3.83Å; L978-K1049 VanDerWaalsContact O-CD 3.24Å; L978-K1049 WeakPolarHBondContact O-CD 3.29Å; L978-K1049 WeakPolarHBondContact O-CE 3.29Å; L978-K1049 PolarHBondContact O-NZ 2.96Å |
| 979 | M | 93.3 | Very high | 86.1 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -102.8 | 3.5 | -177.8 | -68.7 | -59.6 | -68.8 | 0 | 0 | 114.7 | W964 F969 I975 F976 I990 C1048 K1049 T1052 | W964-M979 HydrophobicContact CD2-CE 4.37Å; W964-M979 HydrophobicContact CG-CG 4.44Å; W964-M979 HydrophobicContact CZ2-CE 3.73Å; F969-M979 HydrophobicContact CE1-CG 3.91Å; F969-M979 HydrophobicContact CE1-SD 3.87Å; F969-M979 HydrophobicContact CZ-CG 4.04Å; F969-M979 HydrophobicContact CZ-SD 4.39Å; I975-M979 HydrophobicContact CG2-CG 4.41Å; I975-M979 WeakPolarHBondContact O-CB 3.49Å; I975-M979 PolarHBondContact O-N 3.45Å; F976-M979 PolarHBondContact O-N 3.43Å; M979-I990 HydrophobicContact SD-CD1 4.33Å; M979-I990 HydrophobicContact SD-CG2 3.61Å; M979-C1048 HydrophobicContact CE-CB 4.08Å; M979-K1049 HydrophobicContact CE-CB 4.21Å; M979-K1049 WeakPolarHBondContact O-CA 3.35Å; M979-K1049 HydrophobicContact SD-CB 4.22Å; M979-T1052 VanDerWaalsContact O-CB 3.3Å; M979-T1052 WeakPolarHBondContact O-CB 3.07Å; M979-T1052 WeakPolarHBondContact O-CG2 3.3Å |
| 980 | S | 92.8 | Very high | 86 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -77.1 | 156.8 | 168.5 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | F976 T977 K1049 T1052 | F976-S980 WeakPolarHBondContact O-CB 3.43Å; F976-S980 PolarHBondContact O-N 2.91Å; T977-S980 PolarHBondContact O-OG 3.44Å; S980-K1049 CarbonylContact C-O 3.27Å; S980-K1049 VanDerWaalsContact C-O 3.29Å; S980-K1049 VanDerWaalsContact O-CG 3.22Å; S980-K1049 WeakPolarHBondContact O-CG 3.49Å; S980-K1049 PolarHBondContact O-NZ 2.83Å; S980-T1052 CarbonylContact C-O 3.58Å |
| 981 | W | 95.5 | Very high | 86.1 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | trans | -60.1 | 150.5 | 174.3 | 171.7 | 88.6 | 0 | 0 | 0 | 111.6 | K983 D1015 K1049 T1052 N1054 P1055 | W981-K983 HydrophobicContact CH2-CB 3.86Å; W981-K983 HydrophobicContact CH2-CD 4.45Å; W981-K983 HydrophobicContact CZ2-CB 3.97Å; W981-D1015 PolarHBondContact NE1-OD2 2.84Å; W981-K1049 VanDerWaalsContact CA-O 3.25Å; W981-K1049 WeakPolarHBondContact CA-O 3.4Å; W981-K1049 PolarHBondContact N-O 3.31Å; W981-K1049 VanDerWaalsContact N-O 3.1Å; W981-T1052 WeakPolarHBondContact CA-O 3.02Å; W981-T1052 VanDerWaalsContact CB-O 3.23Å; W981-T1052 WeakPolarHBondContact CB-O 3.46Å; W981-T1052 PolarHBondContact N-O 2.92Å; W981-N1054 HydrophobicContact CB-CB 3.79Å; W981-N1054 VanDerWaalsContact CD1-ND2 3.29Å; W981-N1054 HydrophobicContact CD2-CB 4.48Å; W981-N1054 HydrophobicContact CG-CB 3.81Å; W981-P1055 HydrophobicContact CE3-CG 4.3Å; W981-P1055 HydrophobicContact CZ3-CG 4.01Å | ||
| 982 | T | 93 | Very high | 86.3 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | trans | -152.8 | 138 | 172.7 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | S984 F1006 Q1010 Q1050 | T982-S984 PolarHBondContact OG1-N 3.08Å; T982-S984 PolarHBondContact OG1-OG 2.85Å; T982-F1006 HydrophobicContact CG2-CZ 4.19Å; T982-Q1010 PolarHBondContact O-NE2 2.93Å; T982-Q1050 VanDerWaalsContact N-NE2 3.19Å; T982-Q1050 PolarHBondContact O-NE2 3.23Å; T982-Q1050 VanDerWaalsContact O-NE2 3.11Å; T982-Q1050 PolarHBondContact O-OE1 2.92Å | ||
| 983 | K | 87.6 | Confident | 86.2 | Confident | 139 Ų | 139 | 59.7 Ų | 59.7 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -79.6 | -17 | 171.2 | -163.6 | 166.2 | -174.5 | 167.7 | 0 | 113.2 | W981 Q1010 D1015 | W981-K983 HydrophobicContact CH2-CB 3.86Å; W981-K983 HydrophobicContact CH2-CD 4.45Å; W981-K983 HydrophobicContact CZ2-CB 3.97Å; K983-Q1010 PolarHBondContact O-NE2 3.06Å; K983-Q1010 VanDerWaalsContact O-NE2 3.11Å; K983-D1015 WeakPolarHBondContact CE-O 3.35Å |
| 984 | S | 84.9 | Confident | 86 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -69.8 | 154.4 | -178.4 | 67 | 0 | 0 | 0 | 0 | 112.8 | T982 F986 F1006 Q1010 | T982-S984 PolarHBondContact OG1-N 3.08Å; T982-S984 PolarHBondContact OG1-OG 2.85Å; S984-F986 PolarHBondContact O-N 3.43Å; S984-F1006 WeakPolarHBondContact O-CE1 3.47Å; S984-Q1010 PolarHBondContact O-NE2 2.84Å |
| 985 | N | 76.1 | Confident | 85.6 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | trans | -69.4 | 97.2 | 179.3 | -69.7 | -79.4 | 0 | 0 | 0 | 111.3 | S987 R1016 | N985-S987 PolarHBondContact O-N 2.96Å; N985-R1016 PolarHBondContact OD1-NH1 2.84Å | ||
| 986 | F | 76.7 | Confident | 85.2 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | trans | -73.5 | 120 | 177.6 | -162.4 | -99.7 | 0 | 0 | 0 | 111.5 | L978 S984 K988 I990 F1006 | L978-F986 HydrophobicContact CD1-CE2 4.12Å; L978-F986 HydrophobicContact CD1-CZ 3.83Å; S984-F986 PolarHBondContact O-N 3.43Å; F986-K988 HydrophobicContact CD1-CB 4.48Å; F986-K988 WeakPolarHBondContact CD1-O 3.36Å; F986-K988 HydrophobicContact CE1-CB 3.81Å; F986-K988 VanDerWaalsContact CE1-O 3.25Å; F986-K988 WeakPolarHBondContact CE1-O 3.34Å; F986-K988 HydrophobicContact CE2-CB 4.26Å; F986-K988 HydrophobicContact CZ-CB 3.71Å; F986-I990 HydrophobicContact CE1-CD1 4.28Å; F986-I990 HydrophobicContact CE1-CG1 3.58Å; F986-I990 HydrophobicContact CZ-CG1 3.88Å; F986-F1006 HydrophobicContact CB-CD1 3.54Å; F986-F1006 HydrophobicContact CB-CD2 3.97Å; F986-F1006 HydrophobicContact CB-CE1 3.41Å; F986-F1006 VanDerWaalsContact CB-CE1 3.41Å; F986-F1006 HydrophobicContact CB-CE2 3.85Å; F986-F1006 HydrophobicContact CB-CG 3.82Å; F986-F1006 HydrophobicContact CB-CZ 3.58Å | ||
| 987 | S | 69.8 | Low | 85 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | trans | -125.2 | 12.3 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | N985 | N985-S987 PolarHBondContact O-N 2.96Š| ||
| 988 | K | 79.5 | Confident | 84.7 | Confident | 132 Ų | 132 | 54.8 Ų | 54.8 | 57% | 0.574 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -86.9 | 164.5 | 168.1 | -61.7 | 178.5 | 179.5 | -179.3 | 0 | 108.4 | F986 | F986-K988 HydrophobicContact CD1-CB 4.48Å; F986-K988 WeakPolarHBondContact CD1-O 3.36Å; F986-K988 HydrophobicContact CE1-CB 3.81Å; F986-K988 VanDerWaalsContact CE1-O 3.25Å; F986-K988 WeakPolarHBondContact CE1-O 3.34Å; F986-K988 HydrophobicContact CE2-CB 4.26Å; F986-K988 HydrophobicContact CZ-CB 3.71Å |
| 989 | R | 86.7 | Confident | 84.4 | Confident | 61 Ų | 61 | 60 Ų | 60 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | trans | -93.8 | 143.9 | 159.7 | -55.2 | -169.3 | -55.2 | -77.3 | 5 | 107.2 | S994 E995 V1002 E1042 | R989-S994 PolarHBondContact NE-O 2.69Å; R989-S994 PolarHBondContact NH2-O 3.36Å; R989-E995 VanDerWaalsContact CD-O 3.25Å; R989-E995 WeakPolarHBondContact CD-O 3.5Å; R989-E995 PolarHBondContact NE-O 2.86Å; R989-E995 VanDerWaalsContact NE-O 3.15Å; R989-V1002 HydrophobicContact CG-CB 4.38Å; R989-V1002 HydrophobicContact CG-CG1 4.14Å; R989-V1002 HydrophobicContact CG-CG2 4.22Å; R989-E1042 WeakPolarHBondContact CA-OE1 3.3Å | ||
| 990 | I | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -80.8 | -51.1 | 179.9 | -61.2 | -179.9 | 0 | 0 | 0 | 109.7 | F969 M979 F986 E1042 A1045 Q1046 K1049 | F969-I990 HydrophobicContact CD1-CG2 3.82Å; F969-I990 HydrophobicContact CE1-CG2 3.62Å; M979-I990 HydrophobicContact SD-CD1 4.33Å; M979-I990 HydrophobicContact SD-CG2 3.61Å; F986-I990 HydrophobicContact CE1-CD1 4.28Å; F986-I990 HydrophobicContact CE1-CG1 3.58Å; F986-I990 HydrophobicContact CZ-CG1 3.88Å; I990-E1042 PolarHBondContact N-OE1 2.95Å; I990-E1042 PolarHBondContact N-OE2 2.96Å; I990-A1045 HydrophobicContact CB-CB 4.23Å; I990-A1045 HydrophobicContact CD1-CB 4.18Å; I990-A1045 HydrophobicContact CG2-CB 4.07Å; I990-Q1046 HydrophobicContact CD1-CB 4.41Å; I990-Q1046 HydrophobicContact CD1-CG 3.68Å; I990-Q1046 HydrophobicContact CG1-CG 4.47Å; I990-K1049 HydrophobicContact CD1-CB 4.15Å; I990-K1049 HydrophobicContact CD1-CD 3.86Å |
| 991 | L | 88.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | trans | -89.7 | 143.6 | -172.9 | -54.9 | 175 | 0 | 0 | 0 | 111.9 | L968 F969 S993 S994 D1041 E1042 A1045 F1080 | L968-L991 HydrophobicContact CB-CD2 4.2Å; L968-L991 CarbonylContact O-C 3.37Å; L968-L991 WeakPolarHBondContact O-CA 3.34Å; F969-L991 HydrophobicContact CE1-CD2 4.42Å; L991-S993 VanDerWaalsContact C-N 3.28Å; L991-S993 PolarHBondContact O-N 2.8Å; L991-S994 PolarHBondContact O-N 3.32Å; L991-D1041 HydrophobicContact CD1-CB 3.65Å; L991-E1042 PolarHBondContact N-OE2 3.07Å; L991-A1045 HydrophobicContact CD1-CB 4.15Å; L991-A1045 HydrophobicContact CD2-CB 4.21Å; L991-A1045 HydrophobicContact CG-CB 4.04Å; L991-F1080 HydrophobicContact CD1-CD2 4.05Å; L991-F1080 HydrophobicContact CD1-CE2 4.24Å; L991-F1080 HydrophobicContact CD1-CG 4.34Å; L991-F1080 HydrophobicContact CD2-CD2 4.27Å; L991-F1080 HydrophobicContact CD2-CE2 3.97Å | ||
| 992 | I | 83.3 | Confident | 84 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -40.7 | 170.4 | -67.1 | 165.3 | 0 | 0 | 0 | 110.6 | L968 F969 K970 S994 | L968-I992 PolarHBondContact O-N 2.73Å; F969-I992 WeakPolarHBondContact O-CD1 3.46Å; K970-I992 HydrophobicContact CG-CG1 4.21Å; I992-S994 PolarHBondContact O-N 2.83Å |
| 993 | S | 78.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.8 | -176.7 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | L991 E995 | L991-S993 VanDerWaalsContact C-N 3.28Å; L991-S993 PolarHBondContact O-N 2.8Å; S993-E995 PolarHBondContact O-N 3.36Å |
| 994 | S | 79.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -74.7 | 121.5 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | R989 L991 I992 E1042 | R989-S994 PolarHBondContact NE-O 2.69Å; R989-S994 PolarHBondContact NH2-O 3.36Å; L991-S994 PolarHBondContact O-N 3.32Å; I992-S994 PolarHBondContact O-N 2.83Å; S994-E1042 PolarHBondContact OG-OE2 3.09Å |
| 995 | E | 81.6 | Confident | 84.6 | Confident | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | trans | -56.5 | 147.2 | -173.3 | -71.4 | -177.5 | -159 | 0 | 0 | 114.1 | R989 S993 S997 L998 N1038 | R989-E995 VanDerWaalsContact CD-O 3.25Å; R989-E995 WeakPolarHBondContact CD-O 3.5Å; R989-E995 PolarHBondContact NE-O 2.86Å; R989-E995 VanDerWaalsContact NE-O 3.15Å; S993-E995 PolarHBondContact O-N 3.36Å; E995-S997 VanDerWaalsContact C-N 3.27Å; E995-S997 WeakPolarHBondContact CB-OG 3.01Å; E995-S997 PolarHBondContact O-N 3.35Å; E995-S997 PolarHBondContact OE2-OG 2.97Å; E995-L998 HydrophobicContact CB-CD1 4.24Å; E995-L998 HydrophobicContact CB-CG 4.18Å; E995-L998 PolarHBondContact O-N 3.47Å; E995-N1038 PolarHBondContact OE1-ND2 3.28Å | ||
| 996 | P | 81.1 | Confident | 85.5 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -60.9 | -34.7 | 176.5 | 24.8 | -33.1 | 0 | 0 | 0 | 113.7 | L998 K999 | P996-L998 VanDerWaalsContact C-N 3.25Å; P996-L998 PolarHBondContact O-N 3.22Å; P996-K999 PolarHBondContact O-N 3.08Å |
| 997 | S | 85.7 | Confident | 86.3 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -49.5 | -42.1 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | E995 K999 | E995-S997 VanDerWaalsContact C-N 3.27Å; E995-S997 WeakPolarHBondContact CB-OG 3.01Å; E995-S997 PolarHBondContact O-N 3.35Å; E995-S997 PolarHBondContact OE2-OG 2.97Å; S997-K999 VanDerWaalsContact C-N 3.29Å; S997-K999 PolarHBondContact O-N 3.39Å |
| 998 | L | 83.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -76.7 | -6.5 | -168.6 | -60.9 | 176.2 | 0 | 0 | 0 | 114.2 | E995 P996 K1000 Q1001 V1002 N1038 | E995-L998 HydrophobicContact CB-CD1 4.24Å; E995-L998 HydrophobicContact CB-CG 4.18Å; E995-L998 PolarHBondContact O-N 3.47Å; P996-L998 VanDerWaalsContact C-N 3.25Å; P996-L998 PolarHBondContact O-N 3.22Å; L998-K1000 PolarHBondContact O-N 3.01Å; L998-Q1001 WeakPolarHBondContact O-CA 3.36Å; L998-Q1001 WeakPolarHBondContact O-CB 3.46Å; L998-Q1001 PolarHBondContact O-N 3.4Å; L998-V1002 HydrophobicContact CB-CG2 3.96Å; L998-V1002 WeakPolarHBondContact O-CG2 3.47Å; L998-V1002 PolarHBondContact O-N 3.37Å; L998-N1038 HydrophobicContact CD1-CB 3.8Å |
| 999 | K | 86.3 | Confident | 88.3 | Confident | 123 Ų | 123 | 52 Ų | 52 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -47.3 | -39.8 | -172.9 | -174 | -179.5 | 175.5 | -175.4 | 0 | 114 | P996 S997 A1003 | P996-K999 PolarHBondContact O-N 3.08Å; S997-K999 VanDerWaalsContact C-N 3.29Å; S997-K999 PolarHBondContact O-N 3.39Å; K999-A1003 WeakPolarHBondContact O-CB 3.28Å; K999-A1003 PolarHBondContact O-N 3.28Å; K999-A1003 VanDerWaalsContact O-N 3.15Å |
| 1000 | K | 89.9 | Confident | 88.7 | Confident | 189 Ų | 189 | 49.2 Ų | 49.2 | 82% | 0.822 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.2 | -42.9 | 175.8 | -68.8 | -175.9 | -179.6 | 178.4 | 0 | 112.7 | L998 Q1004 | L998-K1000 PolarHBondContact O-N 3.01Å; K1000-Q1004 WeakPolarHBondContact O-CB 3.29Å; K1000-Q1004 PolarHBondContact O-N 3.33Å; K1000-Q1004 VanDerWaalsContact O-N 3.15Å |
| 1001 | Q | 90.5 | Very high | 89 | Confident | 96 Ų | 96 | 49.6 Ų | 49.6 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 177.1 | -59.5 | -174.7 | 14.1 | 0 | 0 | 111 | L998 Q1004 L1005 L1039 | L998-Q1001 WeakPolarHBondContact O-CA 3.36Å; L998-Q1001 WeakPolarHBondContact O-CB 3.46Å; L998-Q1001 PolarHBondContact O-N 3.4Å; Q1001-Q1004 CarbonylContact O-C 3.57Å; Q1001-Q1004 PolarHBondContact O-N 2.84Å; Q1001-Q1004 VanDerWaalsContact O-N 3.13Å; Q1001-L1005 WeakPolarHBondContact O-CB 3.5Å; Q1001-L1005 PolarHBondContact O-N 3.44Å; Q1001-L1039 HydrophobicContact CB-CD1 4.49Å |
| 1002 | V | 91.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -50 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | R989 L998 Q1004 L1005 F1006 L1039 E1042 | R989-V1002 HydrophobicContact CG-CB 4.38Å; R989-V1002 HydrophobicContact CG-CG1 4.14Å; R989-V1002 HydrophobicContact CG-CG2 4.22Å; L998-V1002 HydrophobicContact CB-CG2 3.96Å; L998-V1002 WeakPolarHBondContact O-CG2 3.47Å; L998-V1002 PolarHBondContact O-N 3.37Å; V1002-Q1004 VanDerWaalsContact C-N 3.27Å; V1002-Q1004 PolarHBondContact O-N 3.49Å; V1002-L1005 PolarHBondContact O-N 2.9Å; V1002-F1006 PolarHBondContact O-N 3.06Å; V1002-F1006 VanDerWaalsContact O-N 3.08Å; V1002-L1039 HydrophobicContact CG2-CD1 3.8Å; V1002-E1042 HydrophobicContact CB-CG 4.38Å; V1002-E1042 HydrophobicContact CG1-CG 3.63Å; V1002-E1042 VanDerWaalsContact CG1-OE1 3.28Å; V1002-E1042 WeakPolarHBondContact CG1-OE1 3.29Å; V1002-E1042 HydrophobicContact CG2-CG 3.83Å |
| 1003 | A | 91.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -27.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K999 K1007 | K999-A1003 WeakPolarHBondContact O-CB 3.28Å; K999-A1003 PolarHBondContact O-N 3.28Å; K999-A1003 VanDerWaalsContact O-N 3.15Å; A1003-K1007 WeakPolarHBondContact O-CE 2.93Å; A1003-K1007 WeakPolarHBondContact O-CG 3.11Å |
| 1004 | Q | 92.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -87.1 | -17.3 | 177.4 | -167.3 | 63.9 | 5.2 | 0 | 0 | 113 | K1000 Q1001 V1002 V1008 R1032 | K1000-Q1004 WeakPolarHBondContact O-CB 3.29Å; K1000-Q1004 PolarHBondContact O-N 3.33Å; K1000-Q1004 VanDerWaalsContact O-N 3.15Å; Q1001-Q1004 CarbonylContact O-C 3.57Å; Q1001-Q1004 PolarHBondContact O-N 2.84Å; Q1001-Q1004 VanDerWaalsContact O-N 3.13Å; V1002-Q1004 VanDerWaalsContact C-N 3.27Å; V1002-Q1004 PolarHBondContact O-N 3.49Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.47Å; Q1004-R1032 PolarHBondContact O-NH1 3.4Å |
| 1005 | L | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.7 | -49.5 | 169.4 | -177.3 | 69.3 | 0 | 0 | 0 | 110.2 | Q1001 V1002 K1007 V1008 I1009 I1029 L1039 L1043 | Q1001-L1005 WeakPolarHBondContact O-CB 3.5Å; Q1001-L1005 PolarHBondContact O-N 3.44Å; V1002-L1005 PolarHBondContact O-N 2.9Å; L1005-K1007 VanDerWaalsContact C-N 3.28Å; L1005-K1007 PolarHBondContact O-N 3.3Å; L1005-V1008 WeakPolarHBondContact O-CA 3.43Å; L1005-V1008 WeakPolarHBondContact O-CB 3.12Å; L1005-V1008 PolarHBondContact O-N 3.46Å; L1005-I1009 HydrophobicContact CG-CD1 4.16Å; L1005-I1009 HydrophobicContact CG-CG1 4.47Å; L1005-I1009 PolarHBondContact O-N 3.23Å; L1005-I1029 HydrophobicContact CD1-CG1 4.3Å; L1005-I1029 HydrophobicContact CD1-CG2 4.4Å; L1005-L1039 HydrophobicContact CD2-CD1 4.03Å; L1005-L1039 HydrophobicContact CD2-CD2 4.14Å; L1005-L1039 HydrophobicContact CD2-CG 3.89Å; L1005-L1043 HydrophobicContact CD1-CD1 4.5Å; L1005-L1043 HydrophobicContact CD2-CB 3.9Å; L1005-L1043 HydrophobicContact CD2-CD1 4.06Å; L1005-L1043 HydrophobicContact CD2-CG 4.46Å; L1005-L1043 HydrophobicContact CG-CD1 4.44Å |
| 1006 | F | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.8 | -43.6 | 179.3 | -172.6 | -98.1 | 0 | 0 | 0 | 112.9 | T982 S984 F986 V1002 V1008 I1009 Q1010 Q1046 Q1050 | T982-F1006 HydrophobicContact CG2-CZ 4.19Å; S984-F1006 WeakPolarHBondContact O-CE1 3.47Å; F986-F1006 HydrophobicContact CB-CD1 3.54Å; F986-F1006 HydrophobicContact CB-CD2 3.97Å; F986-F1006 HydrophobicContact CB-CE1 3.41Å; F986-F1006 VanDerWaalsContact CB-CE1 3.41Å; F986-F1006 HydrophobicContact CB-CE2 3.85Å; F986-F1006 HydrophobicContact CB-CG 3.82Å; F986-F1006 HydrophobicContact CB-CZ 3.58Å; V1002-F1006 PolarHBondContact O-N 3.06Å; V1002-F1006 VanDerWaalsContact O-N 3.08Å; F1006-V1008 VanDerWaalsContact C-N 3.26Å; F1006-V1008 PolarHBondContact O-N 3.3Å; F1006-I1009 WeakPolarHBondContact O-CB 3.27Å; F1006-I1009 PolarHBondContact O-N 3.23Å; F1006-Q1010 HydrophobicContact CD1-CG 4.2Å; F1006-Q1010 HydrophobicContact CE1-CG 3.79Å; F1006-Q1010 VanDerWaalsContact CE1-NE2 3.3Å; F1006-Q1010 HydrophobicContact CZ-CG 4.12Å; F1006-Q1010 PolarHBondContact O-N 2.82Å; F1006-Q1046 HydrophobicContact CD2-CB 4.35Å; F1006-Q1046 HydrophobicContact CD2-CG 4.09Å; F1006-Q1050 HydrophobicContact CE2-CG 3.91Å; F1006-Q1050 HydrophobicContact CZ-CG 4.42Å |
| 1007 | K | 94.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 27% | 0.274 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -31.4 | 175.3 | -63.6 | 174.3 | -156.5 | 161.6 | 0 | 113.5 | A1003 L1005 S1011 | A1003-K1007 WeakPolarHBondContact O-CE 2.93Å; A1003-K1007 WeakPolarHBondContact O-CG 3.11Å; L1005-K1007 VanDerWaalsContact C-N 3.28Å; L1005-K1007 PolarHBondContact O-N 3.3Å; K1007-S1011 PolarHBondContact O-N 2.81Å; K1007-S1011 VanDerWaalsContact O-N 3.15Å; K1007-S1011 PolarHBondContact O-OG 3.43Å |
| 1008 | V | 95 | Very high | 92.1 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.9 | -38.8 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | Q1004 L1005 F1006 Q1010 S1011 F1012 Y1025 I1028 I1029 | Q1004-V1008 WeakPolarHBondContact O-CG2 3.47Å; L1005-V1008 WeakPolarHBondContact O-CA 3.43Å; L1005-V1008 WeakPolarHBondContact O-CB 3.12Å; L1005-V1008 PolarHBondContact O-N 3.46Å; F1006-V1008 VanDerWaalsContact C-N 3.26Å; F1006-V1008 PolarHBondContact O-N 3.3Å; V1008-Q1010 PolarHBondContact O-N 3.29Å; V1008-S1011 WeakPolarHBondContact O-CB 3.2Å; V1008-S1011 PolarHBondContact O-N 3.39Å; V1008-F1012 PolarHBondContact O-N 3.42Å; V1008-Y1025 HydrophobicContact CG1-CD1 3.7Å; V1008-Y1025 HydrophobicContact CG1-CE1 4.46Å; V1008-Y1025 HydrophobicContact CG1-CG 4.29Å; V1008-I1028 HydrophobicContact CG1-CG2 4.23Å; V1008-I1029 HydrophobicContact CB-CG1 4.35Å; V1008-I1029 HydrophobicContact CG1-CD1 3.96Å; V1008-I1029 HydrophobicContact CG1-CG1 3.66Å |
| 1009 | I | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.4 | -52 | 169.7 | -63 | 170.9 | 0 | 0 | 0 | 110 | L1005 F1006 S1011 F1012 M1013 I1029 L1043 Q1046 L1047 Q1050 L1066 | L1005-I1009 HydrophobicContact CG-CD1 4.16Å; L1005-I1009 HydrophobicContact CG-CG1 4.47Å; L1005-I1009 PolarHBondContact O-N 3.23Å; F1006-I1009 WeakPolarHBondContact O-CB 3.27Å; F1006-I1009 PolarHBondContact O-N 3.23Å; I1009-S1011 PolarHBondContact O-N 3.49Å; I1009-F1012 WeakPolarHBondContact O-CB 3.49Å; I1009-F1012 PolarHBondContact O-N 3.17Å; I1009-F1012 VanDerWaalsContact O-N 3.09Å; I1009-M1013 HydrophobicContact CG2-CG 4.31Å; I1009-M1013 HydrophobicContact CG2-SD 3.59Å; I1009-M1013 VanDerWaalsContact CG2-SD 3.59Å; I1009-M1013 WeakPolarHBondContact O-CG 3.49Å; I1009-M1013 PolarHBondContact O-N 3.1Å; I1009-I1029 HydrophobicContact CG1-CD1 4.09Å; I1009-L1043 HydrophobicContact CD1-CD1 3.6Å; I1009-L1043 HydrophobicContact CG1-CD1 4.13Å; I1009-Q1046 HydrophobicContact CD1-CB 3.81Å; I1009-L1047 HydrophobicContact CD1-CD2 4.43Å; I1009-L1047 HydrophobicContact CD1-CG 4.5Å; I1009-L1047 HydrophobicContact CG1-CD2 4.49Å; I1009-L1047 HydrophobicContact CG2-CD2 3.76Å; I1009-Q1050 HydrophobicContact CG2-CG 4.49Å; I1009-L1066 HydrophobicContact CG2-CD2 4.47Å |
| 1010 | Q | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -30.2 | 175.6 | -71.3 | -172 | -44.8 | 0 | 0 | 113.7 | T982 K983 S984 F1006 V1008 G1014 D1015 R1016 | T982-Q1010 PolarHBondContact O-NE2 2.93Å; K983-Q1010 PolarHBondContact O-NE2 3.06Å; K983-Q1010 VanDerWaalsContact O-NE2 3.11Å; S984-Q1010 PolarHBondContact O-NE2 2.84Å; F1006-Q1010 HydrophobicContact CD1-CG 4.2Å; F1006-Q1010 HydrophobicContact CE1-CG 3.79Å; F1006-Q1010 VanDerWaalsContact CE1-NE2 3.3Å; F1006-Q1010 HydrophobicContact CZ-CG 4.12Å; F1006-Q1010 PolarHBondContact O-N 2.82Å; V1008-Q1010 PolarHBondContact O-N 3.29Å; Q1010-G1014 PolarHBondContact O-N 2.86Å; Q1010-G1014 VanDerWaalsContact O-N 3.13Å; Q1010-D1015 HydrophobicContact CB-CB 4.17Å; Q1010-D1015 HydrophobicContact CG-CB 4.33Å; Q1010-D1015 PolarHBondContact O-N 3.38Å; Q1010-D1015 VanDerWaalsContact O-N 3.12Å; Q1010-R1016 HydrophobicContact CB-CB 3.91Å; Q1010-R1016 PolarHBondContact O-N 2.88Å |
| 1011 | S | 95.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77.3 | -30.3 | 177 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | K1007 V1008 I1009 R1016 | K1007-S1011 PolarHBondContact O-N 2.81Å; K1007-S1011 VanDerWaalsContact O-N 3.15Å; K1007-S1011 PolarHBondContact O-OG 3.43Å; V1008-S1011 WeakPolarHBondContact O-CB 3.2Å; V1008-S1011 PolarHBondContact O-N 3.39Å; I1009-S1011 PolarHBondContact O-N 3.49Å; S1011-R1016 WeakPolarHBondContact OG-CD 3.36Å |
| 1012 | F | 95.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.7 | -43.2 | 170.9 | -175.1 | -76.2 | 0 | 0 | 0 | 111.2 | W922 V1008 I1009 L1022 I1029 N1062 L1066 | W922-F1012 AromaticContact CH2-CZ 3.94Å; W922-F1012 HydrophobicContact CH2-CZ 3.94Å; V1008-F1012 PolarHBondContact O-N 3.42Å; I1009-F1012 WeakPolarHBondContact O-CB 3.49Å; I1009-F1012 PolarHBondContact O-N 3.17Å; I1009-F1012 VanDerWaalsContact O-N 3.09Å; F1012-L1022 HydrophobicContact CD2-CB 4.37Å; F1012-L1022 HydrophobicContact CD2-CG 4.45Å; F1012-L1022 WeakPolarHBondContact CD2-O 3.49Å; F1012-L1022 HydrophobicContact CE2-CB 4.22Å; F1012-L1022 WeakPolarHBondContact CE2-O 3.35Å; F1012-L1022 HydrophobicContact CG-CG 4.48Å; F1012-L1022 WeakPolarHBondContact O-CD2 3.45Å; F1012-L1022 WeakPolarHBondContact O-CG 3.19Å; F1012-I1029 HydrophobicContact CB-CD1 4.36Å; F1012-N1062 HydrophobicContact CD1-CB 4.27Å; F1012-N1062 HydrophobicContact CE1-CB 4.21Å; F1012-N1062 WeakPolarHBondContact CE1-O 3.26Å; F1012-L1066 HydrophobicContact CB-CD2 4.22Å; F1012-L1066 HydrophobicContact CD1-CB 3.98Å; F1012-L1066 HydrophobicContact CD1-CD2 3.78Å; F1012-L1066 HydrophobicContact CD1-CG 4.32Å; F1012-L1066 HydrophobicContact CD2-CD1 4.32Å; F1012-L1066 HydrophobicContact CD2-CD2 4.49Å; F1012-L1066 HydrophobicContact CE1-CB 3.67Å; F1012-L1066 HydrophobicContact CE1-CD1 4.4Å; F1012-L1066 HydrophobicContact CE1-CD2 4.29Å; F1012-L1066 HydrophobicContact CE1-CG 4.34Å; F1012-L1066 HydrophobicContact CE2-CD1 4.16Å; F1012-L1066 HydrophobicContact CG-CD2 3.92Å; F1012-L1066 HydrophobicContact CZ-CB 4.13Å; F1012-L1066 HydrophobicContact CZ-CD1 4.2Å |
| 1013 | M | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.2 | -33.9 | -176.3 | -68.8 | 179.1 | 63.3 | 0 | 0 | 112.4 | I1009 Q1050 S1059 N1062 | I1009-M1013 HydrophobicContact CG2-CG 4.31Å; I1009-M1013 HydrophobicContact CG2-SD 3.59Å; I1009-M1013 VanDerWaalsContact CG2-SD 3.59Å; I1009-M1013 WeakPolarHBondContact O-CG 3.49Å; I1009-M1013 PolarHBondContact O-N 3.1Å; M1013-Q1050 HydrophobicContact CE-CB 3.61Å; M1013-Q1050 HydrophobicContact SD-CB 3.66Å; M1013-Q1050 HydrophobicContact SD-CG 4.29Å; M1013-S1059 VanDerWaalsContact CE-O 3.32Å; M1013-S1059 WeakPolarHBondContact CE-O 3.31Å; M1013-S1059 WeakPolarHBondContact CE-OG 3.27Å; M1013-S1059 WeakPolarHBondContact O-CA 3.29Å; M1013-N1062 HydrophobicContact CG-CB 4.49Å; M1013-N1062 PolarHBondContact O-ND2 3.15Å |
| 1014 | G | 92.9 | Very high | 92.9 | Very high | 51 Ų | 51 | 50 Ų | 50 | 53% | 0.526 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 114.1 | -12.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1010 R1016 | Q1010-G1014 PolarHBondContact O-N 2.86Å; Q1010-G1014 VanDerWaalsContact O-N 3.13Å; G1014-R1016 PolarHBondContact O-N 3.4Å; G1014-R1016 VanDerWaalsContact O-N 3.09Å |
| 1015 | D | 92.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -57.8 | -24.2 | 177.4 | -63.2 | -21.2 | 0 | 0 | 0 | 113.2 | W981 K983 Q1010 S1059 | W981-D1015 PolarHBondContact NE1-OD2 2.84Å; K983-D1015 WeakPolarHBondContact CE-O 3.35Å; Q1010-D1015 HydrophobicContact CB-CB 4.17Å; Q1010-D1015 HydrophobicContact CG-CB 4.33Å; Q1010-D1015 PolarHBondContact O-N 3.38Å; Q1010-D1015 VanDerWaalsContact O-N 3.12Å; D1015-S1059 VanDerWaalsContact CG-OG 3.25Å; D1015-S1059 VanDerWaalsContact OD1-CB 3.27Å; D1015-S1059 WeakPolarHBondContact OD1-CB 3.34Å; D1015-S1059 PolarHBondContact OD1-OG 3.41Å; D1015-S1059 PolarHBondContact OD2-OG 3.03Å |
| 1016 | R | 91.9 | Very high | 93.1 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -122.8 | 138.7 | 175.7 | -168.1 | -171 | -158.7 | 96.6 | 4.1 | 110.5 | N985 Q1010 S1011 G1014 A1018 | N985-R1016 PolarHBondContact OD1-NH1 2.84Å; Q1010-R1016 HydrophobicContact CB-CB 3.91Å; Q1010-R1016 PolarHBondContact O-N 2.88Å; S1011-R1016 WeakPolarHBondContact OG-CD 3.36Å; G1014-R1016 PolarHBondContact O-N 3.4Å; G1014-R1016 VanDerWaalsContact O-N 3.09Å; R1016-A1018 PolarHBondContact O-N 3.23Å |
| 1017 | K | 89.3 | Confident | 93.1 | Very high | 195 Ų | 195 | 47.3 Ų | 47.3 | 85% | 0.848 | 24% | 0.24 | S | C | * | . | trans | -53 | 114.5 | 176.8 | -176 | 171.9 | -176.9 | 173.4 | 0 | 111.4 | ||||
| 1018 | A | 86.3 | Confident | 93.1 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | trans | -62.5 | 149.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1016 Y1025 | R1016-A1018 PolarHBondContact O-N 3.23Å; A1018-Y1025 HydrophobicContact CB-CE2 3.94Å | ||
| 1019 | R | 90 | Very high | 93.1 | Very high | 226 Ų | 226 | 46.3 Ų | 46.3 | 85% | 0.853 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -129.6 | -2.9 | 173.8 | -60.6 | -174.8 | 67 | 157.1 | 2.2 | 112.9 | Y1025 | R1019-Y1025 PolarHBondContact N-OH 3.24Š|
| 1020 | L | 91.8 | Very high | 93 | Very high | 86 Ų | 86 | 46.3 Ų | 46.3 | 45% | 0.45 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -139.9 | 171.7 | 177.4 | -58.6 | 175 | 0 | 0 | 0 | 107.1 | D1024 Y1025 I1028 | L1020-D1024 HydrophobicContact CB-CB 3.76Å; L1020-D1024 HydrophobicContact CD1-CB 4.23Å; L1020-Y1025 HydrophobicContact CB-CD1 4.39Å; L1020-Y1025 HydrophobicContact CB-CD2 4.44Å; L1020-Y1025 HydrophobicContact CB-CE1 4.05Å; L1020-Y1025 HydrophobicContact CB-CE2 4.08Å; L1020-Y1025 HydrophobicContact CD1-CD1 4.13Å; L1020-Y1025 HydrophobicContact CD1-CE1 3.82Å; L1020-Y1025 HydrophobicContact CG-CE1 4.14Å; L1020-I1028 HydrophobicContact CD1-CD1 3.58Å |
| 1021 | S | 92.1 | Very high | 93 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | trans | -70.6 | 163.5 | 172.7 | 76.7 | 0 | 0 | 0 | 0 | 111.8 | P1023 D1024 Y1025 | S1021-P1023 WeakPolarHBondContact OG-CD 3.21Å; S1021-D1024 WeakPolarHBondContact CA-OD2 3.39Å; S1021-D1024 VanDerWaalsContact CB-OD2 3.22Å; S1021-D1024 WeakPolarHBondContact CB-OD2 3.44Å; S1021-D1024 PolarHBondContact N-OD2 3.29Å; S1021-D1024 PolarHBondContact O-N 3.33Å; S1021-D1024 PolarHBondContact OG-N 2.75Å; S1021-D1024 PolarHBondContact OG-OD2 3.49Å; S1021-Y1025 WeakPolarHBondContact O-CD2 3.2Å; S1021-Y1025 PolarHBondContact O-N 3.44Å | ||
| 1022 | L | 91.2 | Very high | 92.9 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 172.3 | -91.6 | 65.7 | 0 | 0 | 0 | 111.8 | W922 F1012 D1024 Y1025 G1026 | W922-L1022 HydrophobicContact CZ3-CB 4.36Å; W922-L1022 HydrophobicContact CZ3-CD2 4.47Å; F1012-L1022 HydrophobicContact CD2-CB 4.37Å; F1012-L1022 HydrophobicContact CD2-CG 4.45Å; F1012-L1022 WeakPolarHBondContact CD2-O 3.49Å; F1012-L1022 HydrophobicContact CE2-CB 4.22Å; F1012-L1022 WeakPolarHBondContact CE2-O 3.35Å; F1012-L1022 HydrophobicContact CG-CG 4.48Å; F1012-L1022 WeakPolarHBondContact O-CD2 3.45Å; F1012-L1022 WeakPolarHBondContact O-CG 3.19Å; L1022-D1024 VanDerWaalsContact C-N 3.34Å; L1022-D1024 PolarHBondContact O-N 2.85Å; L1022-Y1025 PolarHBondContact O-N 3.24Å; L1022-G1026 PolarHBondContact O-N 2.88Å |
| 1023 | P | 91.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.7 | -43 | 172.2 | -30.8 | 37.4 | 0 | 0 | 0 | 114.7 | S1021 Y1025 G1026 S1027 I1218 I1221 C1222 | S1021-P1023 WeakPolarHBondContact OG-CD 3.21Å; P1023-Y1025 PolarHBondContact O-N 3.49Å; P1023-G1026 WeakPolarHBondContact O-CA 3.42Å; P1023-G1026 PolarHBondContact O-N 2.71Å; P1023-G1026 VanDerWaalsContact O-N 3.15Å; P1023-S1027 PolarHBondContact O-N 3.37Å; P1023-I1218 HydrophobicContact CB-CG2 3.88Å; P1023-I1221 HydrophobicContact CB-CG2 4.22Å; P1023-C1222 VanDerWaalsContact CG-SG 3.59Å |
| 1024 | D | 94.2 | Very high | 92.5 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.8 | -62.3 | -52.2 | 0 | 0 | 0 | 111.2 | L1020 S1021 L1022 G1026 S1027 I1028 I1218 | L1020-D1024 HydrophobicContact CB-CB 3.76Å; L1020-D1024 HydrophobicContact CD1-CB 4.23Å; S1021-D1024 WeakPolarHBondContact CA-OD2 3.39Å; S1021-D1024 VanDerWaalsContact CB-OD2 3.22Å; S1021-D1024 WeakPolarHBondContact CB-OD2 3.44Å; S1021-D1024 PolarHBondContact N-OD2 3.29Å; S1021-D1024 PolarHBondContact O-N 3.33Å; S1021-D1024 PolarHBondContact OG-N 2.75Å; S1021-D1024 PolarHBondContact OG-OD2 3.49Å; L1022-D1024 VanDerWaalsContact C-N 3.34Å; L1022-D1024 PolarHBondContact O-N 2.85Å; D1024-G1026 VanDerWaalsContact C-N 3.3Å; D1024-G1026 PolarHBondContact O-N 2.62Å; D1024-S1027 PolarHBondContact O-N 3.28Å; D1024-I1028 WeakPolarHBondContact O-CB 3.39Å; D1024-I1028 WeakPolarHBondContact O-CD1 3.32Å; D1024-I1028 VanDerWaalsContact O-CG1 3.25Å; D1024-I1028 WeakPolarHBondContact O-CG1 3.29Å; D1024-I1028 PolarHBondContact O-N 3.01Å; D1024-I1218 WeakPolarHBondContact OD1-CD1 3.47Å |
| 1025 | Y | 96.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 177.1 | -72.2 | -47.6 | 0 | 0 | 0 | 112.3 | V1008 A1018 R1019 L1020 S1021 L1022 P1023 I1028 I1029 | V1008-Y1025 HydrophobicContact CG1-CD1 3.7Å; V1008-Y1025 HydrophobicContact CG1-CE1 4.46Å; V1008-Y1025 HydrophobicContact CG1-CG 4.29Å; A1018-Y1025 HydrophobicContact CB-CE2 3.94Å; R1019-Y1025 PolarHBondContact N-OH 3.24Å; L1020-Y1025 HydrophobicContact CB-CD1 4.39Å; L1020-Y1025 HydrophobicContact CB-CD2 4.44Å; L1020-Y1025 HydrophobicContact CB-CE1 4.05Å; L1020-Y1025 HydrophobicContact CB-CE2 4.08Å; L1020-Y1025 HydrophobicContact CD1-CD1 4.13Å; L1020-Y1025 HydrophobicContact CD1-CE1 3.82Å; L1020-Y1025 HydrophobicContact CG-CE1 4.14Å; S1021-Y1025 WeakPolarHBondContact O-CD2 3.2Å; S1021-Y1025 PolarHBondContact O-N 3.44Å; L1022-Y1025 PolarHBondContact O-N 3.24Å; P1023-Y1025 PolarHBondContact O-N 3.49Å; Y1025-I1028 HydrophobicContact CD1-CD1 4.45Å; Y1025-I1028 PolarHBondContact O-N 3.03Å; Y1025-I1029 WeakPolarHBondContact O-CB 3.35Å; Y1025-I1029 VanDerWaalsContact O-CG1 3.22Å; Y1025-I1029 WeakPolarHBondContact O-CG1 3.28Å; Y1025-I1029 PolarHBondContact O-N 2.68Å |
| 1026 | G | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -54 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1022 P1023 D1024 I1028 I1029 I1030 | L1022-G1026 PolarHBondContact O-N 2.88Å; P1023-G1026 WeakPolarHBondContact O-CA 3.42Å; P1023-G1026 PolarHBondContact O-N 2.71Å; P1023-G1026 VanDerWaalsContact O-N 3.15Å; D1024-G1026 VanDerWaalsContact C-N 3.3Å; D1024-G1026 PolarHBondContact O-N 2.62Å; G1026-I1028 VanDerWaalsContact C-N 3.33Å; G1026-I1028 PolarHBondContact O-N 2.76Å; G1026-I1029 PolarHBondContact O-N 3.09Å; G1026-I1029 VanDerWaalsContact O-N 3.14Å; G1026-I1030 VanDerWaalsContact O-CD1 3.3Å; G1026-I1030 WeakPolarHBondContact O-CD1 3.25Å; G1026-I1030 WeakPolarHBondContact O-CG1 3.22Å; G1026-I1030 PolarHBondContact O-N 3.19Å |
| 1027 | S | 93.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | P1023 D1024 I1029 I1030 H1031 P1216 | P1023-S1027 PolarHBondContact O-N 3.37Å; D1024-S1027 PolarHBondContact O-N 3.28Å; S1027-I1029 PolarHBondContact O-N 3.49Å; S1027-I1030 PolarHBondContact O-N 3.33Å; S1027-H1031 VanDerWaalsContact O-CB 3.22Å; S1027-H1031 WeakPolarHBondContact O-CB 3.36Å; S1027-H1031 PolarHBondContact O-N 3.38Å; S1027-P1216 WeakPolarHBondContact CB-O 3.32Å; S1027-P1216 PolarHBondContact OG-O 3.48Å |
| 1028 | I | 94.7 | Very high | 91.7 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.3 | -69.5 | 164.1 | 0 | 0 | 0 | 112.3 | V1008 L1020 D1024 Y1025 G1026 R1032 | V1008-I1028 HydrophobicContact CG1-CG2 4.23Å; L1020-I1028 HydrophobicContact CD1-CD1 3.58Å; D1024-I1028 WeakPolarHBondContact O-CB 3.39Å; D1024-I1028 WeakPolarHBondContact O-CD1 3.32Å; D1024-I1028 VanDerWaalsContact O-CG1 3.25Å; D1024-I1028 WeakPolarHBondContact O-CG1 3.29Å; D1024-I1028 PolarHBondContact O-N 3.01Å; Y1025-I1028 HydrophobicContact CD1-CD1 4.45Å; Y1025-I1028 PolarHBondContact O-N 3.03Å; G1026-I1028 VanDerWaalsContact C-N 3.33Å; G1026-I1028 PolarHBondContact O-N 2.76Å; I1028-R1032 VanDerWaalsContact O-CG 3.26Å; I1028-R1032 WeakPolarHBondContact O-CG 3.49Å; I1028-R1032 PolarHBondContact O-N 3.45Å |
| 1029 | I | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -48 | 178 | -72.6 | 168.4 | 0 | 0 | 0 | 110.3 | L1005 V1008 I1009 F1012 Y1025 G1026 S1027 R1032 A1033 L1043 L1066 | L1005-I1029 HydrophobicContact CD1-CG1 4.3Å; L1005-I1029 HydrophobicContact CD1-CG2 4.4Å; V1008-I1029 HydrophobicContact CB-CG1 4.35Å; V1008-I1029 HydrophobicContact CG1-CD1 3.96Å; V1008-I1029 HydrophobicContact CG1-CG1 3.66Å; I1009-I1029 HydrophobicContact CG1-CD1 4.09Å; F1012-I1029 HydrophobicContact CB-CD1 4.36Å; Y1025-I1029 WeakPolarHBondContact O-CB 3.35Å; Y1025-I1029 VanDerWaalsContact O-CG1 3.22Å; Y1025-I1029 WeakPolarHBondContact O-CG1 3.28Å; Y1025-I1029 PolarHBondContact O-N 2.68Å; G1026-I1029 PolarHBondContact O-N 3.09Å; G1026-I1029 VanDerWaalsContact O-N 3.14Å; S1027-I1029 PolarHBondContact O-N 3.49Å; I1029-R1032 PolarHBondContact O-N 2.95Å; I1029-A1033 PolarHBondContact O-N 2.92Å; I1029-A1033 VanDerWaalsContact O-N 3.09Å; I1029-L1043 HydrophobicContact CG2-CD1 3.81Å; I1029-L1043 HydrophobicContact CG2-CD2 3.77Å; I1029-L1043 HydrophobicContact CG2-CG 4.48Å; I1029-L1066 HydrophobicContact CD1-CD1 4.17Å; I1029-L1066 HydrophobicContact CD1-CD2 3.71Å; I1029-L1066 HydrophobicContact CG2-CD1 4.44Å |
| 1030 | I | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | -176.9 | -67.5 | 153.7 | 0 | 0 | 0 | 110.6 | G1026 S1027 R1032 A1033 L1034 V1069 Y1073 F1074 P1216 I1221 | G1026-I1030 VanDerWaalsContact O-CD1 3.3Å; G1026-I1030 WeakPolarHBondContact O-CD1 3.25Å; G1026-I1030 WeakPolarHBondContact O-CG1 3.22Å; G1026-I1030 PolarHBondContact O-N 3.19Å; S1027-I1030 PolarHBondContact O-N 3.33Å; I1030-R1032 PolarHBondContact O-N 3.4Å; I1030-A1033 CarbonylContact O-C 3.37Å; I1030-A1033 PolarHBondContact O-N 2.95Å; I1030-A1033 VanDerWaalsContact O-N 3.14Å; I1030-L1034 HydrophobicContact CG2-CD1 3.82Å; I1030-L1034 HydrophobicContact CG2-CG 4.2Å; I1030-L1034 WeakPolarHBondContact O-CB 3.49Å; I1030-L1034 WeakPolarHBondContact O-CG 3.28Å; I1030-L1034 PolarHBondContact O-N 3.22Å; I1030-V1069 HydrophobicContact CD1-CG1 3.53Å; I1030-Y1073 HydrophobicContact CD1-CD2 3.84Å; I1030-Y1073 HydrophobicContact CD1-CE2 3.87Å; I1030-Y1073 HydrophobicContact CG1-CD2 4.2Å; I1030-Y1073 HydrophobicContact CG2-CD1 4.05Å; I1030-Y1073 HydrophobicContact CG2-CD2 3.76Å; I1030-Y1073 HydrophobicContact CG2-CE2 4.27Å; I1030-Y1073 HydrophobicContact CG2-CG 3.65Å; I1030-F1074 HydrophobicContact CG2-CE1 4.29Å; I1030-P1216 HydrophobicContact CB-CG 4.21Å; I1030-P1216 HydrophobicContact CG2-CG 3.84Å; I1030-I1221 HydrophobicContact CD1-CD1 3.36Å |
| 1031 | H | 93.7 | Very high | 92.3 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 36% | 0.356 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56 | -48.5 | 175.4 | -177.4 | -110.4 | 0 | 0 | 0 | 111.6 | S1027 A1033 L1034 S1035 | S1027-H1031 VanDerWaalsContact O-CB 3.22Å; S1027-H1031 WeakPolarHBondContact O-CB 3.36Å; S1027-H1031 PolarHBondContact O-N 3.38Å; H1031-A1033 VanDerWaalsContact C-N 3.31Å; H1031-A1033 PolarHBondContact O-N 3.47Å; H1031-L1034 PolarHBondContact O-N 3.5Å; H1031-S1035 PolarHBondContact O-N 3.26Å; H1031-S1035 PolarHBondContact O-OG 3.45Å |
| 1032 | R | 93.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 29.8 Ų | 29.8 | 28% | 0.275 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 176.5 | -73.1 | 173.7 | -176.3 | -177 | 7.3 | 113 | Q1004 I1028 I1029 I1030 S1036 L1039 | Q1004-R1032 PolarHBondContact O-NH1 3.4Å; I1028-R1032 VanDerWaalsContact O-CG 3.26Å; I1028-R1032 WeakPolarHBondContact O-CG 3.49Å; I1028-R1032 PolarHBondContact O-N 3.45Å; I1029-R1032 PolarHBondContact O-N 2.95Å; I1030-R1032 PolarHBondContact O-N 3.4Å; R1032-S1036 WeakPolarHBondContact O-CB 3.19Å; R1032-S1036 PolarHBondContact O-N 2.94Å; R1032-L1039 HydrophobicContact CB-CD2 4.24Å |
| 1033 | A | 92.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.5 | -28.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1029 I1030 H1031 R1040 L1043 F1074 | I1029-A1033 PolarHBondContact O-N 2.92Å; I1029-A1033 VanDerWaalsContact O-N 3.09Å; I1030-A1033 CarbonylContact O-C 3.37Å; I1030-A1033 PolarHBondContact O-N 2.95Å; I1030-A1033 VanDerWaalsContact O-N 3.14Å; H1031-A1033 VanDerWaalsContact C-N 3.31Å; H1031-A1033 PolarHBondContact O-N 3.47Å; A1033-R1040 HydrophobicContact CB-CG 4.25Å; A1033-R1040 WeakPolarHBondContact O-CG 3.33Å; A1033-R1040 PolarHBondContact O-NE 3.15Å; A1033-R1040 PolarHBondContact O-NH2 3.01Å; A1033-L1043 HydrophobicContact CB-CD2 3.7Å; A1033-F1074 HydrophobicContact CB-CD1 4.34Å; A1033-F1074 HydrophobicContact CB-CE1 3.55Å; A1033-F1074 HydrophobicContact CB-CE2 3.94Å; A1033-F1074 HydrophobicContact CB-CZ 3.32Å |
| 1034 | L | 90.1 | Very high | 92.8 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 13% | 0.131 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.1 | -50 | 170.1 | -70.7 | 174.1 | 0 | 0 | 0 | 110.5 | I1030 H1031 S1036 R1040 F1074 V1209 T1212 | I1030-L1034 HydrophobicContact CG2-CD1 3.82Å; I1030-L1034 HydrophobicContact CG2-CG 4.2Å; I1030-L1034 WeakPolarHBondContact O-CB 3.49Å; I1030-L1034 WeakPolarHBondContact O-CG 3.28Å; I1030-L1034 PolarHBondContact O-N 3.22Å; H1031-L1034 PolarHBondContact O-N 3.5Å; L1034-S1036 VanDerWaalsContact C-N 3.35Å; L1034-S1036 PolarHBondContact O-N 3.42Å; L1034-R1040 PolarHBondContact O-NH2 3.18Å; L1034-F1074 HydrophobicContact CD2-CD1 3.91Å; L1034-F1074 HydrophobicContact CG-CD1 4.29Å; L1034-V1209 HydrophobicContact CD2-CG1 3.6Å; L1034-T1212 WeakPolarHBondContact CD1-OG1 3.36Å |
| 1035 | S | 89.3 | Confident | 92.9 | Very high | 82 Ų | 82 | 25 Ų | 25 | 57% | 0.573 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -63.1 | -33.9 | 178 | -49.6 | 0 | 0 | 0 | 0 | 113.9 | H1031 | H1031-S1035 PolarHBondContact O-N 3.26Å; H1031-S1035 PolarHBondContact O-OG 3.45Å |
| 1036 | S | 87.8 | Confident | 92.9 | Very high | 24 Ų | 24 | 24.1 Ų | 24.1 | 17% | 0.168 | 13% | 0.133 | C | C | . | . | trans | -123.9 | 94.3 | -176.7 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | R1032 L1034 N1038 L1039 | R1032-S1036 WeakPolarHBondContact O-CB 3.19Å; R1032-S1036 PolarHBondContact O-N 2.94Å; L1034-S1036 VanDerWaalsContact C-N 3.35Å; L1034-S1036 PolarHBondContact O-N 3.42Å; S1036-N1038 PolarHBondContact O-N 3.22Å; S1036-L1039 VanDerWaalsContact O-CB 3.3Å; S1036-L1039 WeakPolarHBondContact O-CB 3.24Å; S1036-L1039 PolarHBondContact O-N 3.34Å | ||
| 1037 | A | 86.9 | Confident | 93 | Very high | 36 Ų | 36 | 24.1 Ų | 24.1 | 30% | 0.298 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -60.2 | -33 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1039 R1040 N1077 | A1037-L1039 PolarHBondContact O-N 3.27Å; A1037-R1040 WeakPolarHBondContact O-CB 3.47Å; A1037-R1040 WeakPolarHBondContact O-CG 3.42Å; A1037-R1040 PolarHBondContact O-N 3.43Å; A1037-N1077 PolarHBondContact O-ND2 3.2Å |
| 1038 | N | 86.1 | Confident | 93.2 | Very high | 77 Ų | 77 | 23.5 Ų | 23.5 | 41% | 0.412 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -72.7 | -9.2 | 179.5 | -61.2 | 2.2 | 0 | 0 | 0 | 112.5 | E995 L998 S1036 | E995-N1038 PolarHBondContact OE1-ND2 3.28Å; L998-N1038 HydrophobicContact CD1-CB 3.8Å; S1036-N1038 PolarHBondContact O-N 3.22Å |
| 1039 | L | 91.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -91.4 | -13.6 | 175.6 | -166.7 | 63 | 0 | 0 | 0 | 113 | Q1001 V1002 L1005 R1032 S1036 A1037 L1043 | Q1001-L1039 HydrophobicContact CB-CD1 4.49Å; V1002-L1039 HydrophobicContact CG2-CD1 3.8Å; L1005-L1039 HydrophobicContact CD2-CD1 4.03Å; L1005-L1039 HydrophobicContact CD2-CD2 4.14Å; L1005-L1039 HydrophobicContact CD2-CG 3.89Å; R1032-L1039 HydrophobicContact CB-CD2 4.24Å; S1036-L1039 VanDerWaalsContact O-CB 3.3Å; S1036-L1039 WeakPolarHBondContact O-CB 3.24Å; S1036-L1039 PolarHBondContact O-N 3.34Å; A1037-L1039 PolarHBondContact O-N 3.27Å; L1039-L1043 WeakPolarHBondContact O-CB 3.3Å; L1039-L1043 PolarHBondContact O-N 2.78Å |
| 1040 | R | 93.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.6 | -46.8 | -172.5 | -66 | 176.4 | -171.1 | 150.6 | 9.5 | 114 | A1033 L1034 A1037 E1042 L1043 Y1044 F1074 V1209 | A1033-R1040 HydrophobicContact CB-CG 4.25Å; A1033-R1040 WeakPolarHBondContact O-CG 3.33Å; A1033-R1040 PolarHBondContact O-NE 3.15Å; A1033-R1040 PolarHBondContact O-NH2 3.01Å; L1034-R1040 PolarHBondContact O-NH2 3.18Å; A1037-R1040 WeakPolarHBondContact O-CB 3.47Å; A1037-R1040 WeakPolarHBondContact O-CG 3.42Å; A1037-R1040 PolarHBondContact O-N 3.43Å; R1040-E1042 VanDerWaalsContact C-N 3.3Å; R1040-E1042 PolarHBondContact O-N 3.06Å; R1040-L1043 WeakPolarHBondContact O-CB 3.5Å; R1040-L1043 PolarHBondContact O-N 2.87Å; R1040-Y1044 WeakPolarHBondContact O-CD2 3.12Å; R1040-Y1044 PolarHBondContact O-N 2.8Å; R1040-F1074 HydrophobicContact CB-CD2 4.28Å; R1040-F1074 HydrophobicContact CB-CE2 4.35Å; R1040-F1074 HydrophobicContact CG-CD2 3.82Å; R1040-F1074 HydrophobicContact CG-CE2 4.03Å; R1040-F1074 HydrophobicContact CG-CG 4.48Å; R1040-V1209 VanDerWaalsContact NH1-CG2 3.31Å |
| 1041 | D | 94.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.3 | -36.2 | -179.4 | -56.3 | -31.2 | 0 | 0 | 0 | 111 | L991 Y1044 A1045 N1077 F1080 | L991-D1041 HydrophobicContact CD1-CB 3.65Å; D1041-Y1044 PolarHBondContact O-N 3.2Å; D1041-A1045 WeakPolarHBondContact O-CB 3.38Å; D1041-A1045 PolarHBondContact O-N 3.45Å; D1041-N1077 VanDerWaalsContact CG-ND2 3.31Å; D1041-N1077 PolarHBondContact OD1-N 2.88Å; D1041-N1077 PolarHBondContact OD1-ND2 3.43Å; D1041-N1077 WeakPolarHBondContact OD2-CB 3.38Å; D1041-N1077 PolarHBondContact OD2-ND2 2.88Å; D1041-F1080 HydrophobicContact CB-CB 3.93Å; D1041-F1080 HydrophobicContact CB-CD1 4Å; D1041-F1080 HydrophobicContact CB-CG 4.06Å |
| 1042 | E | 94 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -35.9 | 174.7 | -177.6 | 68.8 | -153.6 | 0 | 0 | 111.6 | R989 I990 L991 S994 V1002 R1040 Q1046 | R989-E1042 WeakPolarHBondContact CA-OE1 3.3Å; I990-E1042 PolarHBondContact N-OE1 2.95Å; I990-E1042 PolarHBondContact N-OE2 2.96Å; L991-E1042 PolarHBondContact N-OE2 3.07Å; S994-E1042 PolarHBondContact OG-OE2 3.09Å; V1002-E1042 HydrophobicContact CB-CG 4.38Å; V1002-E1042 HydrophobicContact CG1-CG 3.63Å; V1002-E1042 VanDerWaalsContact CG1-OE1 3.28Å; V1002-E1042 WeakPolarHBondContact CG1-OE1 3.29Å; V1002-E1042 HydrophobicContact CG2-CG 3.83Å; R1040-E1042 VanDerWaalsContact C-N 3.3Å; R1040-E1042 PolarHBondContact O-N 3.06Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.23Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.16Å; E1042-Q1046 PolarHBondContact O-N 2.97Å; E1042-Q1046 PolarHBondContact OE1-NE2 2.85Å |
| 1043 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -50 | 169.2 | 172.1 | 55.2 | 0 | 0 | 0 | 110.9 | L1005 I1009 I1029 A1033 L1039 R1040 A1045 Q1046 L1047 F1074 | L1005-L1043 HydrophobicContact CD1-CD1 4.5Å; L1005-L1043 HydrophobicContact CD2-CB 3.9Å; L1005-L1043 HydrophobicContact CD2-CD1 4.06Å; L1005-L1043 HydrophobicContact CD2-CG 4.46Å; L1005-L1043 HydrophobicContact CG-CD1 4.44Å; I1009-L1043 HydrophobicContact CD1-CD1 3.6Å; I1009-L1043 HydrophobicContact CG1-CD1 4.13Å; I1029-L1043 HydrophobicContact CG2-CD1 3.81Å; I1029-L1043 HydrophobicContact CG2-CD2 3.77Å; I1029-L1043 HydrophobicContact CG2-CG 4.48Å; A1033-L1043 HydrophobicContact CB-CD2 3.7Å; L1039-L1043 WeakPolarHBondContact O-CB 3.3Å; L1039-L1043 PolarHBondContact O-N 2.78Å; R1040-L1043 WeakPolarHBondContact O-CB 3.5Å; R1040-L1043 PolarHBondContact O-N 2.87Å; L1043-A1045 PolarHBondContact O-N 3.42Å; L1043-Q1046 PolarHBondContact O-N 3.42Å; L1043-L1047 HydrophobicContact CD1-CD1 3.79Å; L1043-L1047 HydrophobicContact CD1-CG 4.04Å; L1043-L1047 HydrophobicContact CG-CD1 4.1Å; L1043-L1047 WeakPolarHBondContact O-CG 3.24Å; L1043-L1047 PolarHBondContact O-N 3.27Å; L1043-F1074 HydrophobicContact CD2-CE2 4.18Å; L1043-F1074 HydrophobicContact CD2-CZ 3.78Å |
| 1044 | Y | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 178.3 | -74.9 | -57.4 | 0 | 0 | 0 | 112.2 | R1040 D1041 Q1046 L1047 C1048 L1067 C1070 L1071 F1074 P1076 L1084 | R1040-Y1044 WeakPolarHBondContact O-CD2 3.12Å; R1040-Y1044 PolarHBondContact O-N 2.8Å; D1041-Y1044 PolarHBondContact O-N 3.2Å; Y1044-Q1046 PolarHBondContact O-N 3.42Å; Y1044-L1047 PolarHBondContact O-N 3.3Å; Y1044-C1048 WeakPolarHBondContact O-CB 3.19Å; Y1044-C1048 PolarHBondContact O-N 3.31Å; Y1044-C1048 PolarHBondContact O-SG 3.38Å; Y1044-L1067 HydrophobicContact CD1-CG 4.46Å; Y1044-C1070 HydrophobicContact CE1-CB 3.71Å; Y1044-C1070 PolarHBondContact OH-O 2.77Å; Y1044-L1071 HydrophobicContact CE1-CD2 3.7Å; Y1044-L1071 HydrophobicContact CE1-CG 3.96Å; Y1044-L1071 WeakPolarHBondContact OH-CA 3.22Å; Y1044-L1071 WeakPolarHBondContact OH-CD2 3.35Å; Y1044-L1071 PolarHBondContact OH-N 3.27Å; Y1044-F1074 AromaticContact CE2-CD2 3.89Å; Y1044-F1074 HydrophobicContact CE2-CD2 3.89Å; Y1044-F1074 AromaticContact CE2-CE2 3.72Å; Y1044-F1074 HydrophobicContact CE2-CE2 3.72Å; Y1044-F1074 AromaticContact CZ-CE2 3.69Å; Y1044-F1074 WeakPolarHBondContact OH-CD2 3.37Å; Y1044-F1074 WeakPolarHBondContact OH-CE2 3.09Å; Y1044-F1074 PolarHBondContact OH-O 2.68Å; Y1044-P1076 HydrophobicContact CD2-CB 4.02Å; Y1044-P1076 HydrophobicContact CE2-CB 4.22Å; Y1044-L1084 HydrophobicContact CD1-CD2 3.88Å; Y1044-L1084 HydrophobicContact CD2-CD2 3.96Å; Y1044-L1084 HydrophobicContact CE1-CD2 4.41Å; Y1044-L1084 HydrophobicContact CE2-CD2 4.46Å; Y1044-L1084 HydrophobicContact CG-CD2 3.66Å |
| 1045 | A | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I990 L991 D1041 L1043 C1048 K1049 F1080 | I990-A1045 HydrophobicContact CB-CB 4.23Å; I990-A1045 HydrophobicContact CD1-CB 4.18Å; I990-A1045 HydrophobicContact CG2-CB 4.07Å; L991-A1045 HydrophobicContact CD1-CB 4.15Å; L991-A1045 HydrophobicContact CD2-CB 4.21Å; L991-A1045 HydrophobicContact CG-CB 4.04Å; D1041-A1045 WeakPolarHBondContact O-CB 3.38Å; D1041-A1045 PolarHBondContact O-N 3.45Å; L1043-A1045 PolarHBondContact O-N 3.42Å; A1045-C1048 PolarHBondContact O-N 2.79Å; A1045-K1049 WeakPolarHBondContact O-CB 3.25Å; A1045-K1049 PolarHBondContact O-N 3.44Å; A1045-F1080 HydrophobicContact CB-CZ 4.17Å |
| 1046 | Q | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.2 | -76 | 179.9 | 15.7 | 0 | 0 | 112.6 | I990 F1006 I1009 E1042 L1043 Y1044 K1049 Q1050 | I990-Q1046 HydrophobicContact CD1-CB 4.41Å; I990-Q1046 HydrophobicContact CD1-CG 3.68Å; I990-Q1046 HydrophobicContact CG1-CG 4.47Å; F1006-Q1046 HydrophobicContact CD2-CB 4.35Å; F1006-Q1046 HydrophobicContact CD2-CG 4.09Å; I1009-Q1046 HydrophobicContact CD1-CB 3.81Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.23Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.16Å; E1042-Q1046 PolarHBondContact O-N 2.97Å; E1042-Q1046 PolarHBondContact OE1-NE2 2.85Å; L1043-Q1046 PolarHBondContact O-N 3.42Å; Y1044-Q1046 PolarHBondContact O-N 3.42Å; Q1046-K1049 WeakPolarHBondContact O-CB 3.28Å; Q1046-K1049 PolarHBondContact O-N 3.31Å; Q1046-Q1050 WeakPolarHBondContact O-CG 3.3Å; Q1046-Q1050 PolarHBondContact O-N 3.45Å |
| 1047 | L | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 174.4 | -69 | 169.1 | 0 | 0 | 0 | 111 | I1009 L1043 Y1044 K1049 Q1050 T1051 L1066 L1067 | I1009-L1047 HydrophobicContact CD1-CD2 4.43Å; I1009-L1047 HydrophobicContact CD1-CG 4.5Å; I1009-L1047 HydrophobicContact CG1-CD2 4.49Å; I1009-L1047 HydrophobicContact CG2-CD2 3.76Å; L1043-L1047 HydrophobicContact CD1-CD1 3.79Å; L1043-L1047 HydrophobicContact CD1-CG 4.04Å; L1043-L1047 HydrophobicContact CG-CD1 4.1Å; L1043-L1047 WeakPolarHBondContact O-CG 3.24Å; L1043-L1047 PolarHBondContact O-N 3.27Å; Y1044-L1047 PolarHBondContact O-N 3.3Å; L1047-K1049 PolarHBondContact O-N 2.95Å; L1047-Q1050 CarbonylContact O-C 3.52Å; L1047-Q1050 PolarHBondContact O-N 2.89Å; L1047-T1051 PolarHBondContact O-N 3.16Å; L1047-T1051 PolarHBondContact O-OG1 2.93Å; L1047-T1051 VanDerWaalsContact O-OG1 3.08Å; L1047-L1066 HydrophobicContact CD1-CG 4.42Å; L1047-L1066 HydrophobicContact CD2-CB 4.42Å; L1047-L1066 HydrophobicContact CD2-CD2 3.62Å; L1047-L1066 HydrophobicContact CD2-CG 3.96Å; L1047-L1067 HydrophobicContact CB-CB 4.45Å; L1047-L1067 HydrophobicContact CB-CD1 4.11Å; L1047-L1067 HydrophobicContact CB-CG 4.48Å; L1047-L1067 HydrophobicContact CD1-CB 4.2Å |
| 1048 | C | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | W964 M979 Y1044 A1045 T1051 T1052 L1084 Y1087 | W964-C1048 HydrophobicContact CH2-CB 4.11Å; W964-C1048 HydrophobicContact CZ2-CB 3.75Å; M979-C1048 HydrophobicContact CE-CB 4.08Å; Y1044-C1048 WeakPolarHBondContact O-CB 3.19Å; Y1044-C1048 PolarHBondContact O-N 3.31Å; Y1044-C1048 PolarHBondContact O-SG 3.38Å; A1045-C1048 PolarHBondContact O-N 2.79Å; C1048-T1051 WeakPolarHBondContact CA-OG1 3.35Å; C1048-T1051 PolarHBondContact O-OG1 3.06Å; C1048-T1052 VanDerWaalsContact O-CB 3.3Å; C1048-T1052 WeakPolarHBondContact O-CB 3.48Å; C1048-T1052 PolarHBondContact O-N 3.38Å; C1048-T1052 PolarHBondContact O-OG1 3.49Å; C1048-L1084 VanDerWaalsContact SG-CD1 3.54Å; C1048-Y1087 HydrophobicContact CB-CD1 4.22Å; C1048-Y1087 HydrophobicContact CB-CE1 3.93Å; C1048-Y1087 HydrophobicContact CB-CE2 4.3Å; C1048-Y1087 PolarHBondContact O-OH 3.32Å |
| 1049 | K | 96.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 171 | 175.8 | -179.5 | 174.1 | 57 | 0 | 111.9 | L978 M979 S980 W981 I990 A1045 Q1046 L1047 | L978-K1049 VanDerWaalsContact O-CD 3.24Å; L978-K1049 WeakPolarHBondContact O-CD 3.29Å; L978-K1049 WeakPolarHBondContact O-CE 3.29Å; L978-K1049 PolarHBondContact O-NZ 2.96Å; M979-K1049 HydrophobicContact CE-CB 4.21Å; M979-K1049 WeakPolarHBondContact O-CA 3.35Å; M979-K1049 HydrophobicContact SD-CB 4.22Å; S980-K1049 CarbonylContact C-O 3.27Å; S980-K1049 VanDerWaalsContact C-O 3.29Å; S980-K1049 VanDerWaalsContact O-CG 3.22Å; S980-K1049 WeakPolarHBondContact O-CG 3.49Å; S980-K1049 PolarHBondContact O-NZ 2.83Å; W981-K1049 VanDerWaalsContact CA-O 3.25Å; W981-K1049 WeakPolarHBondContact CA-O 3.4Å; W981-K1049 PolarHBondContact N-O 3.31Å; W981-K1049 VanDerWaalsContact N-O 3.1Å; I990-K1049 HydrophobicContact CD1-CB 4.15Å; I990-K1049 HydrophobicContact CD1-CD 3.86Å; A1045-K1049 WeakPolarHBondContact O-CB 3.25Å; A1045-K1049 PolarHBondContact O-N 3.44Å; Q1046-K1049 WeakPolarHBondContact O-CB 3.28Å; Q1046-K1049 PolarHBondContact O-N 3.31Å; L1047-K1049 PolarHBondContact O-N 2.95Å |
| 1050 | Q | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -82.1 | -11.7 | -177.5 | -59.6 | -80.3 | -102.6 | 0 | 0 | 113.4 | T982 F1006 I1009 M1013 Q1046 L1047 N1054 | T982-Q1050 VanDerWaalsContact N-NE2 3.19Å; T982-Q1050 PolarHBondContact O-NE2 3.23Å; T982-Q1050 VanDerWaalsContact O-NE2 3.11Å; T982-Q1050 PolarHBondContact O-OE1 2.92Å; F1006-Q1050 HydrophobicContact CE2-CG 3.91Å; F1006-Q1050 HydrophobicContact CZ-CG 4.42Å; I1009-Q1050 HydrophobicContact CG2-CG 4.49Å; M1013-Q1050 HydrophobicContact CE-CB 3.61Å; M1013-Q1050 HydrophobicContact SD-CB 3.66Å; M1013-Q1050 HydrophobicContact SD-CG 4.29Å; Q1046-Q1050 WeakPolarHBondContact O-CG 3.3Å; Q1046-Q1050 PolarHBondContact O-N 3.45Å; L1047-Q1050 CarbonylContact O-C 3.52Å; L1047-Q1050 PolarHBondContact O-N 2.89Å; Q1050-N1054 WeakPolarHBondContact O-CB 3.19Å; Q1050-N1054 PolarHBondContact O-ND2 2.85Å |
| 1051 | T | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -96.1 | -11.6 | 170.4 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | L1047 C1048 L1060 W1064 Y1087 | L1047-T1051 PolarHBondContact O-N 3.16Å; L1047-T1051 PolarHBondContact O-OG1 2.93Å; L1047-T1051 VanDerWaalsContact O-OG1 3.08Å; C1048-T1051 WeakPolarHBondContact CA-OG1 3.35Å; C1048-T1051 PolarHBondContact O-OG1 3.06Å; T1051-L1060 HydrophobicContact CG2-CD1 4.31Å; T1051-L1060 VanDerWaalsContact O-CD1 3.27Å; T1051-L1060 WeakPolarHBondContact O-CD1 3.48Å; T1051-W1064 HydrophobicContact CG2-CD2 4.1Å; T1051-W1064 HydrophobicContact CG2-CG 3.89Å; T1051-Y1087 PolarHBondContact OG1-OH 3.42Å |
| 1052 | T | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -93.7 | 132.8 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | G960 M979 S980 W981 C1048 N1054 Y1087 R1091 | G960-T1052 WeakPolarHBondContact O-CG2 3.33Å; M979-T1052 VanDerWaalsContact O-CB 3.3Å; M979-T1052 WeakPolarHBondContact O-CB 3.07Å; M979-T1052 WeakPolarHBondContact O-CG2 3.3Å; S980-T1052 CarbonylContact C-O 3.58Å; W981-T1052 WeakPolarHBondContact CA-O 3.02Å; W981-T1052 VanDerWaalsContact CB-O 3.23Å; W981-T1052 WeakPolarHBondContact CB-O 3.46Å; W981-T1052 PolarHBondContact N-O 2.92Å; C1048-T1052 VanDerWaalsContact O-CB 3.3Å; C1048-T1052 WeakPolarHBondContact O-CB 3.48Å; C1048-T1052 PolarHBondContact O-N 3.38Å; C1048-T1052 PolarHBondContact O-OG1 3.49Å; T1052-N1054 PolarHBondContact O-N 3.14Å; T1052-N1054 VanDerWaalsContact O-N 3.12Å; T1052-Y1087 WeakPolarHBondContact OG1-CE2 3.5Å; T1052-Y1087 PolarHBondContact OG1-OH 2.77Å; T1052-R1091 PolarHBondContact OG1-NH2 2.97Å |
| 1053 | S | 95.6 | Very high | 95.4 | Very high | 39 Ų | 39 | 17.9 Ų | 17.9 | 27% | 0.273 | 10% | 0.101 | S | C | . | . | S | Bend | trans | 51.2 | 29.3 | -176.5 | -51.8 | 0 | 0 | 0 | 0 | 114.8 | I959 P1055 | I959-S1053 WeakPolarHBondContact O-CA 3.16Å; I959-S1053 PolarHBondContact O-N 3.38Å; S1053-P1055 WeakPolarHBondContact O-CD 3.36Å |
| 1054 | N | 95 | Very high | 95.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -84.8 | 118.2 | 178.7 | -172.5 | -18.6 | 0 | 0 | 0 | 110.6 | W981 Q1050 T1052 D1056 S1059 L1060 | W981-N1054 HydrophobicContact CB-CB 3.79Å; W981-N1054 VanDerWaalsContact CD1-ND2 3.29Å; W981-N1054 HydrophobicContact CD2-CB 4.48Å; W981-N1054 HydrophobicContact CG-CB 3.81Å; Q1050-N1054 WeakPolarHBondContact O-CB 3.19Å; Q1050-N1054 PolarHBondContact O-ND2 2.85Å; T1052-N1054 PolarHBondContact O-N 3.14Å; T1052-N1054 VanDerWaalsContact O-N 3.12Å; N1054-D1056 PolarHBondContact OD1-N 3.34Å; N1054-D1056 PolarHBondContact OD1-O 3.18Å; N1054-S1059 PolarHBondContact ND2-OG 3.06Å; N1054-L1060 HydrophobicContact CB-CB 4.32Å; N1054-L1060 HydrophobicContact CB-CD1 4.21Å; N1054-L1060 PolarHBondContact ND2-N 3.16Å | ||
| 1055 | P | 90.2 | Very high | 95.3 | Very high | 91 Ų | 91 | 18 Ų | 18 | 59% | 0.591 | 10% | 0.101 | S | C | * | . | trans | -82.6 | -18.7 | -178.1 | 34 | -35.9 | 0 | 0 | 0 | 113.9 | W981 S1053 | W981-P1055 HydrophobicContact CE3-CG 4.3Å; W981-P1055 HydrophobicContact CZ3-CG 4.01Å; S1053-P1055 WeakPolarHBondContact O-CD 3.36Å | ||
| 1056 | D | 93.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 17.9 Ų | 17.9 | 32% | 0.321 | 10% | 0.101 | S | C | . | . | trans | -88.6 | 113.8 | 178.7 | 174.1 | 24.6 | 0 | 0 | 0 | 111.1 | N1054 K1058 S1059 L1060 | N1054-D1056 PolarHBondContact OD1-N 3.34Å; N1054-D1056 PolarHBondContact OD1-O 3.18Å; D1056-K1058 PolarHBondContact O-N 3.03Å; D1056-K1058 WeakPolarHBondContact OD1-CB 3.13Å; D1056-K1058 PolarHBondContact OD1-N 3.05Å; D1056-S1059 PolarHBondContact O-N 2.84Å; D1056-S1059 WeakPolarHBondContact OD2-CB 3.48Å; D1056-S1059 PolarHBondContact OD2-N 3.05Å; D1056-L1060 WeakPolarHBondContact O-CB 3.49Å; D1056-L1060 PolarHBondContact O-N 2.96Å | ||
| 1057 | V | 91.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 17.9 Ų | 17.9 | 35% | 0.345 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -54.3 | -37.5 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | P950 T1061 | P950-V1057 HydrophobicContact CB-CG2 3.89Å; P950-V1057 HydrophobicContact CG-CB 4.11Å; P950-V1057 HydrophobicContact CG-CG1 3.57Å; P950-V1057 HydrophobicContact CG-CG2 3.39Å; V1057-T1061 VanDerWaalsContact O-CB 3.26Å; V1057-T1061 WeakPolarHBondContact O-CB 3.47Å; V1057-T1061 PolarHBondContact O-N 3.24Å; V1057-T1061 PolarHBondContact O-OG1 2.93Å |
| 1058 | K | 92.5 | Very high | 95.3 | Very high | 106 Ų | 106 | 17.9 Ų | 17.9 | 46% | 0.461 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -71.8 | -53.5 | -179.4 | -67 | 179.3 | 177.3 | 172.9 | 0 | 110.1 | V921 D1056 L1060 T1061 N1062 | V921-K1058 HydrophobicContact CG2-CB 3.59Å; V921-K1058 HydrophobicContact CG2-CD 4.09Å; V921-K1058 HydrophobicContact CG2-CG 3.67Å; D1056-K1058 PolarHBondContact O-N 3.03Å; D1056-K1058 WeakPolarHBondContact OD1-CB 3.13Å; D1056-K1058 PolarHBondContact OD1-N 3.05Å; K1058-L1060 PolarHBondContact O-N 3.04Å; K1058-T1061 PolarHBondContact O-N 2.76Å; K1058-N1062 PolarHBondContact O-N 2.78Å; K1058-N1062 PolarHBondContact O-ND2 3.19Å |
| 1059 | S | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -51 | -55.5 | 172.4 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | M1013 D1015 N1054 D1056 T1061 N1062 G1063 | M1013-S1059 VanDerWaalsContact CE-O 3.32Å; M1013-S1059 WeakPolarHBondContact CE-O 3.31Å; M1013-S1059 WeakPolarHBondContact CE-OG 3.27Å; M1013-S1059 WeakPolarHBondContact O-CA 3.29Å; D1015-S1059 VanDerWaalsContact CG-OG 3.25Å; D1015-S1059 VanDerWaalsContact OD1-CB 3.27Å; D1015-S1059 WeakPolarHBondContact OD1-CB 3.34Å; D1015-S1059 PolarHBondContact OD1-OG 3.41Å; D1015-S1059 PolarHBondContact OD2-OG 3.03Å; N1054-S1059 PolarHBondContact ND2-OG 3.06Å; D1056-S1059 PolarHBondContact O-N 2.84Å; D1056-S1059 WeakPolarHBondContact OD2-CB 3.48Å; D1056-S1059 PolarHBondContact OD2-N 3.05Å; S1059-T1061 PolarHBondContact O-N 3.32Å; S1059-N1062 PolarHBondContact O-N 2.87Å; S1059-G1063 PolarHBondContact O-N 3.28Å |
| 1060 | L | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | 179.1 | 178.3 | 64.7 | 0 | 0 | 0 | 112.7 | F955 F958 I959 T1051 N1054 D1056 K1058 G1063 W1064 A1190 | F955-L1060 HydrophobicContact CE2-CD2 4.18Å; F955-L1060 HydrophobicContact CZ-CD2 3.85Å; F958-L1060 HydrophobicContact CE1-CD2 4.38Å; I959-L1060 HydrophobicContact CG2-CD2 3.62Å; T1051-L1060 HydrophobicContact CG2-CD1 4.31Å; T1051-L1060 VanDerWaalsContact O-CD1 3.27Å; T1051-L1060 WeakPolarHBondContact O-CD1 3.48Å; N1054-L1060 HydrophobicContact CB-CB 4.32Å; N1054-L1060 HydrophobicContact CB-CD1 4.21Å; N1054-L1060 PolarHBondContact ND2-N 3.16Å; D1056-L1060 WeakPolarHBondContact O-CB 3.49Å; D1056-L1060 PolarHBondContact O-N 2.96Å; K1058-L1060 PolarHBondContact O-N 3.04Å; L1060-G1063 PolarHBondContact O-N 2.89Å; L1060-W1064 PolarHBondContact O-N 3.43Å; L1060-A1190 HydrophobicContact CD2-CB 3.94Å; L1060-A1190 HydrophobicContact CG-CB 3.69Å |
| 1061 | T | 94.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 5% | 0.049 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.1 | -41.5 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | V1057 K1058 S1059 A1065 P1188 A1190 F1193 | V1057-T1061 VanDerWaalsContact O-CB 3.26Å; V1057-T1061 WeakPolarHBondContact O-CB 3.47Å; V1057-T1061 PolarHBondContact O-N 3.24Å; V1057-T1061 PolarHBondContact O-OG1 2.93Å; K1058-T1061 PolarHBondContact O-N 2.76Å; S1059-T1061 PolarHBondContact O-N 3.32Å; T1061-A1065 WeakPolarHBondContact O-CB 3.29Å; T1061-A1065 PolarHBondContact O-N 3.09Å; T1061-A1065 VanDerWaalsContact O-N 3.07Å; T1061-P1188 WeakPolarHBondContact CG2-O 3.36Å; T1061-A1190 PolarHBondContact OG1-N 3.09Å; T1061-A1190 VanDerWaalsContact OG1-N 3.15Å; T1061-F1193 HydrophobicContact CG2-CD2 4.37Å; T1061-F1193 HydrophobicContact CG2-CE2 4.25Å |
| 1062 | N | 95.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 173.9 | -75.1 | -33.8 | 0 | 0 | 0 | 111.8 | F1012 M1013 K1058 S1059 A1065 L1066 K1225 | F1012-N1062 HydrophobicContact CD1-CB 4.27Å; F1012-N1062 HydrophobicContact CE1-CB 4.21Å; F1012-N1062 WeakPolarHBondContact CE1-O 3.26Å; M1013-N1062 HydrophobicContact CG-CB 4.49Å; M1013-N1062 PolarHBondContact O-ND2 3.15Å; K1058-N1062 PolarHBondContact O-N 2.78Å; K1058-N1062 PolarHBondContact O-ND2 3.19Å; S1059-N1062 PolarHBondContact O-N 2.87Å; N1062-A1065 PolarHBondContact O-N 3.25Å; N1062-L1066 VanDerWaalsContact O-CB 3.3Å; N1062-L1066 WeakPolarHBondContact O-CB 3.44Å; N1062-L1066 PolarHBondContact O-N 2.79Å; N1062-K1225 PolarHBondContact OD1-NZ 3.4Å |
| 1063 | G | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1059 L1060 L1066 L1067 | S1059-G1063 PolarHBondContact O-N 3.28Å; L1060-G1063 PolarHBondContact O-N 2.89Å; G1063-L1066 PolarHBondContact O-N 3.01Å; G1063-L1067 WeakPolarHBondContact O-CB 3.47Å; G1063-L1067 PolarHBondContact O-N 3.23Å |
| 1064 | W | 96.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 175.7 | -87.4 | 108.9 | 0 | 0 | 0 | 113 | F958 T1051 L1060 L1067 C1068 Y1087 L1088 R1091 A1190 F1193 A1194 A1197 | F958-W1064 AromaticContact CZ-NE1 3.85Å; T1051-W1064 HydrophobicContact CG2-CD2 4.1Å; T1051-W1064 HydrophobicContact CG2-CG 3.89Å; L1060-W1064 PolarHBondContact O-N 3.43Å; W1064-L1067 HydrophobicContact CZ3-CD1 4.4Å; W1064-L1067 PolarHBondContact O-N 2.86Å; W1064-C1068 PolarHBondContact O-N 2.93Å; W1064-C1068 VanDerWaalsContact O-N 3.11Å; W1064-C1068 PolarHBondContact O-SG 2.87Å; W1064-Y1087 HydrophobicContact CH2-CD1 4.41Å; W1064-Y1087 AromaticContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CZ2-CE1 4.06Å; W1064-L1088 HydrophobicContact CH2-CD2 4.08Å; W1064-L1088 HydrophobicContact CZ3-CD2 3.69Å; W1064-R1091 HydrophobicContact CH2-CB 3.49Å; W1064-R1091 VanDerWaalsContact CH2-CB 3.49Å; W1064-R1091 HydrophobicContact CH2-CG 3.76Å; W1064-R1091 HydrophobicContact CZ2-CB 3.66Å; W1064-R1091 HydrophobicContact CZ2-CG 3.72Å; W1064-A1190 HydrophobicContact CG-CB 4.4Å; W1064-F1193 HydrophobicContact CB-CB 3.78Å; W1064-A1194 HydrophobicContact CD2-CB 3.86Å; W1064-A1194 HydrophobicContact CE3-CB 3.81Å; W1064-A1194 HydrophobicContact CH2-CB 3.94Å; W1064-A1194 HydrophobicContact CZ2-CB 3.98Å; W1064-A1194 HydrophobicContact CZ3-CB 3.84Å; W1064-A1197 HydrophobicContact CE3-CB 4.49Å; W1064-A1197 HydrophobicContact CZ3-CB 4.07Å |
| 1065 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | W922 T1061 N1062 L1067 C1068 V1069 F1193 | W922-A1065 HydrophobicContact CZ2-CB 3.64Å; T1061-A1065 WeakPolarHBondContact O-CB 3.29Å; T1061-A1065 PolarHBondContact O-N 3.09Å; T1061-A1065 VanDerWaalsContact O-N 3.07Å; N1062-A1065 PolarHBondContact O-N 3.25Å; A1065-L1067 VanDerWaalsContact C-N 3.32Å; A1065-L1067 PolarHBondContact O-N 3.2Å; A1065-C1068 WeakPolarHBondContact O-CB 3.49Å; A1065-C1068 PolarHBondContact O-N 3.07Å; A1065-C1068 VanDerWaalsContact O-N 3.15Å; A1065-V1069 WeakPolarHBondContact O-CG2 3.47Å; A1065-V1069 PolarHBondContact O-N 2.99Å; A1065-F1193 HydrophobicContact CB-CD1 3.85Å; A1065-F1193 HydrophobicContact CB-CD2 3.96Å; A1065-F1193 HydrophobicContact CB-CE1 3.68Å; A1065-F1193 HydrophobicContact CB-CE2 3.8Å; A1065-F1193 HydrophobicContact CB-CG 3.99Å; A1065-F1193 HydrophobicContact CB-CZ 3.66Å |
| 1066 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 175 | 177.8 | 58.1 | 0 | 0 | 0 | 112 | I1009 F1012 I1029 L1047 N1062 G1063 C1068 V1069 C1070 | I1009-L1066 HydrophobicContact CG2-CD2 4.47Å; F1012-L1066 HydrophobicContact CB-CD2 4.22Å; F1012-L1066 HydrophobicContact CD1-CB 3.98Å; F1012-L1066 HydrophobicContact CD1-CD2 3.78Å; F1012-L1066 HydrophobicContact CD1-CG 4.32Å; F1012-L1066 HydrophobicContact CD2-CD1 4.32Å; F1012-L1066 HydrophobicContact CD2-CD2 4.49Å; F1012-L1066 HydrophobicContact CE1-CB 3.67Å; F1012-L1066 HydrophobicContact CE1-CD1 4.4Å; F1012-L1066 HydrophobicContact CE1-CD2 4.29Å; F1012-L1066 HydrophobicContact CE1-CG 4.34Å; F1012-L1066 HydrophobicContact CE2-CD1 4.16Å; F1012-L1066 HydrophobicContact CG-CD2 3.92Å; F1012-L1066 HydrophobicContact CZ-CB 4.13Å; F1012-L1066 HydrophobicContact CZ-CD1 4.2Å; I1029-L1066 HydrophobicContact CD1-CD1 4.17Å; I1029-L1066 HydrophobicContact CD1-CD2 3.71Å; I1029-L1066 HydrophobicContact CG2-CD1 4.44Å; L1047-L1066 HydrophobicContact CD1-CG 4.42Å; L1047-L1066 HydrophobicContact CD2-CB 4.42Å; L1047-L1066 HydrophobicContact CD2-CD2 3.62Å; L1047-L1066 HydrophobicContact CD2-CG 3.96Å; N1062-L1066 VanDerWaalsContact O-CB 3.3Å; N1062-L1066 WeakPolarHBondContact O-CB 3.44Å; N1062-L1066 PolarHBondContact O-N 2.79Å; G1063-L1066 PolarHBondContact O-N 3.01Å; L1066-C1068 VanDerWaalsContact C-N 3.32Å; L1066-C1068 PolarHBondContact O-N 3.02Å; L1066-V1069 PolarHBondContact O-N 3.01Å; L1066-C1070 PolarHBondContact O-N 3.21Å; L1066-C1070 PolarHBondContact O-SG 3.1Å; L1066-C1070 VanDerWaalsContact O-SG 3.34Å |
| 1067 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.7 | -169.8 | 158.3 | 0 | 0 | 0 | 111 | Y1044 L1047 G1063 W1064 A1065 C1070 L1071 L1088 A1197 | Y1044-L1067 HydrophobicContact CD1-CG 4.46Å; L1047-L1067 HydrophobicContact CB-CB 4.45Å; L1047-L1067 HydrophobicContact CB-CD1 4.11Å; L1047-L1067 HydrophobicContact CB-CG 4.48Å; L1047-L1067 HydrophobicContact CD1-CB 4.2Å; G1063-L1067 WeakPolarHBondContact O-CB 3.47Å; G1063-L1067 PolarHBondContact O-N 3.23Å; W1064-L1067 HydrophobicContact CZ3-CD1 4.4Å; W1064-L1067 PolarHBondContact O-N 2.86Å; A1065-L1067 VanDerWaalsContact C-N 3.32Å; A1065-L1067 PolarHBondContact O-N 3.2Å; L1067-C1070 WeakPolarHBondContact O-CB 3.27Å; L1067-C1070 PolarHBondContact O-N 3.09Å; L1067-L1071 HydrophobicContact CD2-CD1 3.54Å; L1067-L1071 HydrophobicContact CD2-CG 4.15Å; L1067-L1071 WeakPolarHBondContact O-CG 3.41Å; L1067-L1071 PolarHBondContact O-N 3.01Å; L1067-L1088 HydrophobicContact CD1-CD2 4.04Å; L1067-L1088 HydrophobicContact CD2-CD1 4.37Å; L1067-L1088 HydrophobicContact CD2-CD2 3.59Å; L1067-A1197 HydrophobicContact CD2-CB 4.35Å |
| 1068 | C | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | W1064 A1065 L1066 L1071 Y1072 F1193 L1228 | W1064-C1068 PolarHBondContact O-N 2.93Å; W1064-C1068 VanDerWaalsContact O-N 3.11Å; W1064-C1068 PolarHBondContact O-SG 2.87Å; A1065-C1068 WeakPolarHBondContact O-CB 3.49Å; A1065-C1068 PolarHBondContact O-N 3.07Å; A1065-C1068 VanDerWaalsContact O-N 3.15Å; L1066-C1068 VanDerWaalsContact C-N 3.32Å; L1066-C1068 PolarHBondContact O-N 3.02Å; C1068-L1071 PolarHBondContact O-N 2.8Å; C1068-Y1072 PolarHBondContact O-N 3.32Å; C1068-F1193 PolarHBondContact SG-O 2.8Å; C1068-F1193 VanDerWaalsContact SG-O 3.35Å; C1068-L1228 HydrophobicContact CB-CD1 3.47Å; C1068-L1228 VanDerWaalsContact CB-CD1 3.47Å; C1068-L1228 HydrophobicContact CB-CD2 3.87Å; C1068-L1228 HydrophobicContact CB-CG 4.19Å |
| 1069 | V | 94 | Very high | 93.7 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.024 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 172.9 | -176 | 0 | 0 | 0 | 0 | 110.7 | I1030 A1065 L1066 L1071 Y1072 Y1073 I1221 V1224 L1228 | I1030-V1069 HydrophobicContact CD1-CG1 3.53Å; A1065-V1069 WeakPolarHBondContact O-CG2 3.47Å; A1065-V1069 PolarHBondContact O-N 2.99Å; L1066-V1069 PolarHBondContact O-N 3.01Å; V1069-L1071 VanDerWaalsContact C-N 3.34Å; V1069-L1071 PolarHBondContact O-N 3.09Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.42Å; V1069-Y1072 PolarHBondContact O-N 3.39Å; V1069-Y1072 VanDerWaalsContact O-N 3.14Å; V1069-Y1073 HydrophobicContact CG1-CD2 4.19Å; V1069-Y1073 HydrophobicContact CG1-CE2 3.99Å; V1069-Y1073 WeakPolarHBondContact O-CD2 3.42Å; V1069-Y1073 PolarHBondContact O-N 2.82Å; V1069-I1221 HydrophobicContact CG1-CD1 4.34Å; V1069-V1224 HydrophobicContact CG1-CG1 3.98Å; V1069-V1224 HydrophobicContact CG2-CG1 4.34Å; V1069-L1228 HydrophobicContact CG2-CD1 3.66Å |
| 1070 | C | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.6 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | Y1044 L1066 L1067 Y1072 Y1073 F1074 | Y1044-C1070 HydrophobicContact CE1-CB 3.71Å; Y1044-C1070 PolarHBondContact OH-O 2.77Å; L1066-C1070 PolarHBondContact O-N 3.21Å; L1066-C1070 PolarHBondContact O-SG 3.1Å; L1066-C1070 VanDerWaalsContact O-SG 3.34Å; L1067-C1070 WeakPolarHBondContact O-CB 3.27Å; L1067-C1070 PolarHBondContact O-N 3.09Å; C1070-Y1072 VanDerWaalsContact C-N 3.27Å; C1070-Y1072 PolarHBondContact O-N 3.31Å; C1070-Y1073 PolarHBondContact O-N 3.48Å; C1070-F1074 HydrophobicContact CB-CE1 4.48Å; C1070-F1074 HydrophobicContact CB-CE2 4.06Å; C1070-F1074 HydrophobicContact CB-CZ 3.71Å; C1070-F1074 PolarHBondContact O-N 3.42Å |
| 1071 | L | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -27.7 | 176.4 | -65.4 | 171.5 | 0 | 0 | 0 | 112.9 | Y1044 L1067 C1068 V1069 Y1073 L1084 L1088 A1197 W1200 F1201 S1204 | Y1044-L1071 HydrophobicContact CE1-CD2 3.7Å; Y1044-L1071 HydrophobicContact CE1-CG 3.96Å; Y1044-L1071 WeakPolarHBondContact OH-CA 3.22Å; Y1044-L1071 WeakPolarHBondContact OH-CD2 3.35Å; Y1044-L1071 PolarHBondContact OH-N 3.27Å; L1067-L1071 HydrophobicContact CD2-CD1 3.54Å; L1067-L1071 HydrophobicContact CD2-CG 4.15Å; L1067-L1071 WeakPolarHBondContact O-CG 3.41Å; L1067-L1071 PolarHBondContact O-N 3.01Å; C1068-L1071 PolarHBondContact O-N 2.8Å; V1069-L1071 VanDerWaalsContact C-N 3.34Å; V1069-L1071 PolarHBondContact O-N 3.09Å; L1071-Y1073 VanDerWaalsContact C-N 3.27Å; L1071-Y1073 PolarHBondContact O-N 2.85Å; L1071-L1084 HydrophobicContact CD2-CD2 4.44Å; L1071-L1088 HydrophobicContact CD1-CD1 3.88Å; L1071-A1197 HydrophobicContact CD1-CB 4.46Å; L1071-W1200 HydrophobicContact CB-CB 3.91Å; L1071-W1200 HydrophobicContact CD1-CB 4.17Å; L1071-F1201 HydrophobicContact CD1-CB 4.08Å; L1071-F1201 HydrophobicContact CD2-CB 4.13Å; L1071-F1201 HydrophobicContact CD2-CD2 4.21Å; L1071-S1204 WeakPolarHBondContact O-CB 3.37Å |
| 1072 | Y | 89.3 | Confident | 93.2 | Very high | 36 Ų | 36 | 27 Ų | 27 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 171 | 178.5 | -84.4 | 0 | 0 | 0 | 112 | C1068 V1069 C1070 W1200 R1210 V1224 F1227 | C1068-Y1072 PolarHBondContact O-N 3.32Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.42Å; V1069-Y1072 PolarHBondContact O-N 3.39Å; V1069-Y1072 VanDerWaalsContact O-N 3.14Å; C1070-Y1072 VanDerWaalsContact C-N 3.27Å; C1070-Y1072 PolarHBondContact O-N 3.31Å; Y1072-W1200 HydrophobicContact CD2-CE3 4.25Å; Y1072-W1200 AromaticContact CD2-CH2 3.7Å; Y1072-W1200 HydrophobicContact CD2-CH2 3.7Å; Y1072-W1200 AromaticContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CD2-CZ3 3.4Å; Y1072-W1200 VanDerWaalsContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CE2-CH2 4.23Å; Y1072-W1200 HydrophobicContact CE2-CZ3 4.17Å; Y1072-W1200 HydrophobicContact CG-CZ3 4.26Å; Y1072-R1210 VanDerWaalsContact CE1-CZ 3.47Å; Y1072-R1210 VanDerWaalsContact CE1-NE 3.29Å; Y1072-R1210 VanDerWaalsContact CE2-NH2 3.25Å; Y1072-R1210 VanDerWaalsContact CZ-NH2 3.28Å; Y1072-R1210 WeakPolarHBondContact O-CD 3.41Å; Y1072-R1210 PolarHBondContact O-NE 2.88Å; Y1072-R1210 PolarHBondContact OH-NH1 3.33Å; Y1072-V1224 HydrophobicContact CD1-CB 4.48Å; Y1072-V1224 HydrophobicContact CD1-CG1 3.86Å; Y1072-V1224 HydrophobicContact CD1-CG2 3.69Å; Y1072-V1224 HydrophobicContact CD2-CG1 3.75Å; Y1072-V1224 HydrophobicContact CD2-CG2 4.18Å; Y1072-V1224 HydrophobicContact CE1-CG1 4.4Å; Y1072-V1224 HydrophobicContact CE1-CG2 3.42Å; Y1072-V1224 VanDerWaalsContact CE1-CG2 3.42Å; Y1072-V1224 HydrophobicContact CE2-CG1 4.33Å; Y1072-V1224 HydrophobicContact CE2-CG2 3.97Å; Y1072-V1224 HydrophobicContact CG-CB 4.49Å; Y1072-V1224 HydrophobicContact CG-CG1 3.52Å; Y1072-V1224 HydrophobicContact CG-CG2 4.08Å; Y1072-F1227 HydrophobicContact CE2-CD1 4.19Å; Y1072-F1227 HydrophobicContact CE2-CE1 4.36Å |
| 1073 | Y | 90.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -94.4 | -36.2 | -172.9 | -76.7 | -80.4 | 0 | 0 | 0 | 115.2 | I1030 V1069 C1070 L1071 R1210 P1216 E1220 I1221 V1224 | I1030-Y1073 HydrophobicContact CD1-CD2 3.84Å; I1030-Y1073 HydrophobicContact CD1-CE2 3.87Å; I1030-Y1073 HydrophobicContact CG1-CD2 4.2Å; I1030-Y1073 HydrophobicContact CG2-CD1 4.05Å; I1030-Y1073 HydrophobicContact CG2-CD2 3.76Å; I1030-Y1073 HydrophobicContact CG2-CE2 4.27Å; I1030-Y1073 HydrophobicContact CG2-CG 3.65Å; V1069-Y1073 HydrophobicContact CG1-CD2 4.19Å; V1069-Y1073 HydrophobicContact CG1-CE2 3.99Å; V1069-Y1073 WeakPolarHBondContact O-CD2 3.42Å; V1069-Y1073 PolarHBondContact O-N 2.82Å; C1070-Y1073 PolarHBondContact O-N 3.48Å; L1071-Y1073 VanDerWaalsContact C-N 3.27Å; L1071-Y1073 PolarHBondContact O-N 2.85Å; Y1073-R1210 HydrophobicContact CD1-CB 4.21Å; Y1073-R1210 PolarHBondContact O-N 3Å; Y1073-P1216 HydrophobicContact CE1-CB 4.04Å; Y1073-P1216 HydrophobicContact CE1-CG 4.41Å; Y1073-P1216 WeakPolarHBondContact OH-CB 3.19Å; Y1073-E1220 VanDerWaalsContact CE1-OE1 3.23Å; Y1073-E1220 WeakPolarHBondContact CE1-OE1 3.46Å; Y1073-E1220 WeakPolarHBondContact OH-CG 3.41Å; Y1073-E1220 PolarHBondContact OH-OE1 2.92Å; Y1073-I1221 HydrophobicContact CE2-CD1 3.92Å; Y1073-V1224 HydrophobicContact CE2-CG2 4.34Å |
| 1074 | F | 92.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -154.5 | 140.5 | -175.5 | 49.9 | -94.8 | 0 | 0 | 0 | 114.1 | I1030 A1033 L1034 R1040 L1043 Y1044 C1070 V1209 | I1030-F1074 HydrophobicContact CG2-CE1 4.29Å; A1033-F1074 HydrophobicContact CB-CD1 4.34Å; A1033-F1074 HydrophobicContact CB-CE1 3.55Å; A1033-F1074 HydrophobicContact CB-CE2 3.94Å; A1033-F1074 HydrophobicContact CB-CZ 3.32Å; L1034-F1074 HydrophobicContact CD2-CD1 3.91Å; L1034-F1074 HydrophobicContact CG-CD1 4.29Å; R1040-F1074 HydrophobicContact CB-CD2 4.28Å; R1040-F1074 HydrophobicContact CB-CE2 4.35Å; R1040-F1074 HydrophobicContact CG-CD2 3.82Å; R1040-F1074 HydrophobicContact CG-CE2 4.03Å; R1040-F1074 HydrophobicContact CG-CG 4.48Å; L1043-F1074 HydrophobicContact CD2-CE2 4.18Å; L1043-F1074 HydrophobicContact CD2-CZ 3.78Å; Y1044-F1074 AromaticContact CE2-CD2 3.89Å; Y1044-F1074 HydrophobicContact CE2-CD2 3.89Å; Y1044-F1074 AromaticContact CE2-CE2 3.72Å; Y1044-F1074 HydrophobicContact CE2-CE2 3.72Å; Y1044-F1074 AromaticContact CZ-CE2 3.69Å; Y1044-F1074 WeakPolarHBondContact OH-CD2 3.37Å; Y1044-F1074 WeakPolarHBondContact OH-CE2 3.09Å; Y1044-F1074 PolarHBondContact OH-O 2.68Å; C1070-F1074 HydrophobicContact CB-CE1 4.48Å; C1070-F1074 HydrophobicContact CB-CE2 4.06Å; C1070-F1074 HydrophobicContact CB-CZ 3.71Å; C1070-F1074 PolarHBondContact O-N 3.42Å; F1074-V1209 HydrophobicContact CB-CG1 4.37Å; F1074-V1209 HydrophobicContact CB-CG2 4.27Å | ||
| 1075 | P | 92.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 161.1 | 169.6 | 30.3 | -34.4 | 0 | 0 | 0 | 112.4 | S1204 L1205 | P1075-S1204 WeakPolarHBondContact CA-OG 3.29Å; P1075-S1204 WeakPolarHBondContact CB-OG 3.48Å; P1075-S1204 WeakPolarHBondContact CD-O 3.49Å; P1075-S1204 WeakPolarHBondContact CG-O 3.2Å; P1075-L1205 HydrophobicContact CB-CD2 3.77Å; P1075-L1205 HydrophobicContact CB-CG 4.32Å |
| 1076 | P | 94.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.045 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 165.8 | 161.6 | 34.4 | -39.3 | 0 | 0 | 0 | 111.3 | Y1044 F1080 R1081 L1084 F1201 | Y1044-P1076 HydrophobicContact CD2-CB 4.02Å; Y1044-P1076 HydrophobicContact CE2-CB 4.22Å; P1076-F1080 HydrophobicContact CB-CD1 4.39Å; P1076-R1081 HydrophobicContact CG-CB 4.29Å; P1076-L1084 HydrophobicContact CB-CD2 4.09Å; P1076-L1084 HydrophobicContact CG-CD2 3.96Å; P1076-F1201 HydrophobicContact CG-CD2 4.38Å; P1076-F1201 HydrophobicContact CG-CE2 3.77Å |
| 1077 | N | 91.2 | Very high | 93.3 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 159.8 | 174.6 | -55.4 | -56.4 | 0 | 0 | 0 | 111.5 | A1037 D1041 K1079 F1080 R1081 | A1037-N1077 PolarHBondContact O-ND2 3.2Å; D1041-N1077 VanDerWaalsContact CG-ND2 3.31Å; D1041-N1077 PolarHBondContact OD1-N 2.88Å; D1041-N1077 PolarHBondContact OD1-ND2 3.43Å; D1041-N1077 WeakPolarHBondContact OD2-CB 3.38Å; D1041-N1077 PolarHBondContact OD2-ND2 2.88Å; N1077-K1079 PolarHBondContact O-N 3.41Å; N1077-F1080 PolarHBondContact O-N 3.05Å; N1077-R1081 PolarHBondContact O-N 3.03Å |
| 1078 | S | 87.5 | Confident | 93.2 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 60% | 0.601 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.1 | -172.8 | 56.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1079 | K | 86.9 | Confident | 93.2 | Very high | 158 Ų | 158 | 36.7 Ų | 36.7 | 69% | 0.687 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -30.7 | 174.1 | -62.9 | -176.3 | 179.3 | -177.6 | 0 | 113.2 | N1077 H1083 | N1077-K1079 PolarHBondContact O-N 3.41Å; K1079-H1083 PolarHBondContact O-ND1 3.05Å; K1079-H1083 VanDerWaalsContact O-ND1 3.15Å |
| 1080 | F | 92.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -18.7 | -178.2 | -166.8 | -116.3 | 0 | 0 | 0 | 112.9 | W964 L968 L991 D1041 A1045 P1076 N1077 D1082 H1083 L1084 | W964-F1080 HydrophobicContact CE3-CE2 4.46Å; W964-F1080 HydrophobicContact CH2-CE2 4.5Å; W964-F1080 HydrophobicContact CH2-CZ 4.03Å; W964-F1080 AromaticContact CZ3-CE2 3.78Å; W964-F1080 HydrophobicContact CZ3-CE2 3.78Å; W964-F1080 AromaticContact CZ3-CZ 3.75Å; W964-F1080 HydrophobicContact CZ3-CZ 3.75Å; L968-F1080 HydrophobicContact CD1-CE2 4.37Å; L991-F1080 HydrophobicContact CD1-CD2 4.05Å; L991-F1080 HydrophobicContact CD1-CE2 4.24Å; L991-F1080 HydrophobicContact CD1-CG 4.34Å; L991-F1080 HydrophobicContact CD2-CD2 4.27Å; L991-F1080 HydrophobicContact CD2-CE2 3.97Å; D1041-F1080 HydrophobicContact CB-CB 3.93Å; D1041-F1080 HydrophobicContact CB-CD1 4Å; D1041-F1080 HydrophobicContact CB-CG 4.06Å; A1045-F1080 HydrophobicContact CB-CZ 4.17Å; P1076-F1080 HydrophobicContact CB-CD1 4.39Å; N1077-F1080 PolarHBondContact O-N 3.05Å; F1080-D1082 PolarHBondContact O-N 2.64Å; F1080-H1083 HydrophobicContact CD2-CB 4.24Å; F1080-H1083 HydrophobicContact CE2-CB 4.34Å; F1080-H1083 PolarHBondContact O-N 3.43Å; F1080-L1084 HydrophobicContact CD1-CB 4.06Å; F1080-L1084 HydrophobicContact CE1-CB 3.89Å; F1080-L1084 HydrophobicContact CE1-CD1 4.22Å; F1080-L1084 HydrophobicContact CE1-CD2 4.41Å; F1080-L1084 HydrophobicContact CE1-CG 4.39Å; F1080-L1084 PolarHBondContact O-N 3.27Å |
| 1081 | R | 92.5 | Very high | 93.2 | Very high | 108 Ų | 108 | 39.1 Ų | 39.1 | 41% | 0.408 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -37.4 | -64.8 | 176.3 | 178.4 | -174.3 | 158.5 | 146.2 | 0.1 | 113.4 | P1076 N1077 H1083 L1084 Y1085 F1201 L1205 | P1076-R1081 HydrophobicContact CG-CB 4.29Å; N1077-R1081 PolarHBondContact O-N 3.03Å; R1081-H1083 VanDerWaalsContact C-N 3.33Å; R1081-H1083 PolarHBondContact O-N 2.9Å; R1081-L1084 PolarHBondContact O-N 3.21Å; R1081-Y1085 PolarHBondContact O-N 2.76Å; R1081-F1201 HydrophobicContact CG-CE1 4.47Å; R1081-F1201 HydrophobicContact CG-CE2 4.39Å; R1081-F1201 HydrophobicContact CG-CZ 3.63Å; R1081-F1201 VanDerWaalsContact O-CE2 3.3Å; R1081-F1201 WeakPolarHBondContact O-CE2 3.16Å; R1081-F1201 WeakPolarHBondContact O-CZ 3.33Å; R1081-L1205 HydrophobicContact CG-CD1 4.26Å; R1081-L1205 HydrophobicContact CG-CD2 4.2Å |
| 1082 | D | 92.3 | Very high | 93.1 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.1 | -31.3 | -167.2 | -49.5 | -38.9 | 0 | 0 | 0 | 111.5 | F1080 Y1085 A1086 | F1080-D1082 PolarHBondContact O-N 2.64Å; D1082-Y1085 PolarHBondContact O-N 2.97Å; D1082-A1086 PolarHBondContact O-N 2.8Å |
| 1083 | H | 95 | Very high | 93.1 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 171.7 | -59.8 | 114 | 0 | 0 | 0 | 112.7 | W964 H967 L968 K1079 F1080 R1081 A1086 Y1087 | W964-H1083 HydrophobicContact CZ3-CB 4.34Å; H967-H1083 AromaticContact CE1-CE1 3.66Å; H967-H1083 AromaticContact CE1-NE2 3.41Å; H967-H1083 PolarHBondContact CE1-NE2 3.45Å; H967-H1083 AromaticContact NE2-CE1 3.49Å; H967-H1083 PolarHBondContact NE2-CE1 2.64Å; H967-H1083 AromaticContact NE2-NE2 3.74Å; L968-H1083 HydrophobicContact CD1-CB 4.09Å; K1079-H1083 PolarHBondContact O-ND1 3.05Å; K1079-H1083 VanDerWaalsContact O-ND1 3.15Å; F1080-H1083 HydrophobicContact CD2-CB 4.24Å; F1080-H1083 HydrophobicContact CE2-CB 4.34Å; F1080-H1083 PolarHBondContact O-N 3.43Å; R1081-H1083 VanDerWaalsContact C-N 3.33Å; R1081-H1083 PolarHBondContact O-N 2.9Å; H1083-A1086 PolarHBondContact O-N 3.17Å; H1083-Y1087 PolarHBondContact O-N 2.99Å |
| 1084 | L | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.4 | -178.2 | 60.7 | 0 | 0 | 0 | 110.9 | Y1044 C1048 L1071 P1076 F1080 R1081 A1086 Y1087 L1088 F1201 | Y1044-L1084 HydrophobicContact CD1-CD2 3.88Å; Y1044-L1084 HydrophobicContact CD2-CD2 3.96Å; Y1044-L1084 HydrophobicContact CE1-CD2 4.41Å; Y1044-L1084 HydrophobicContact CE2-CD2 4.46Å; Y1044-L1084 HydrophobicContact CG-CD2 3.66Å; C1048-L1084 VanDerWaalsContact SG-CD1 3.54Å; L1071-L1084 HydrophobicContact CD2-CD2 4.44Å; P1076-L1084 HydrophobicContact CB-CD2 4.09Å; P1076-L1084 HydrophobicContact CG-CD2 3.96Å; F1080-L1084 HydrophobicContact CD1-CB 4.06Å; F1080-L1084 HydrophobicContact CE1-CB 3.89Å; F1080-L1084 HydrophobicContact CE1-CD1 4.22Å; F1080-L1084 HydrophobicContact CE1-CD2 4.41Å; F1080-L1084 HydrophobicContact CE1-CG 4.39Å; F1080-L1084 PolarHBondContact O-N 3.27Å; R1081-L1084 PolarHBondContact O-N 3.21Å; L1084-A1086 PolarHBondContact O-N 3.24Å; L1084-Y1087 PolarHBondContact O-N 3.27Å; L1084-L1088 HydrophobicContact CD1-CD1 4.18Å; L1084-L1088 HydrophobicContact CD1-CD2 4.35Å; L1084-L1088 HydrophobicContact CD1-CG 4.07Å; L1084-L1088 HydrophobicContact CG-CD1 3.93Å; L1084-L1088 HydrophobicContact CG-CG 4.23Å; L1084-L1088 VanDerWaalsContact O-CG 3.27Å; L1084-L1088 WeakPolarHBondContact O-CG 3.42Å; L1084-L1088 PolarHBondContact O-N 3.07Å; L1084-F1201 HydrophobicContact CB-CE2 4.15Å; L1084-F1201 HydrophobicContact CD2-CD2 4.11Å; L1084-F1201 HydrophobicContact CD2-CE2 4.19Å; L1084-F1201 HydrophobicContact CG-CD2 4.22Å; L1084-F1201 HydrophobicContact CG-CE2 4.2Å |
| 1085 | Y | 95.7 | Very high | 92.9 | Very high | 91 Ų | 91 | 41 Ų | 41 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -46.8 | 176.7 | -171.2 | -116.7 | 0 | 0 | 0 | 112.3 | R1081 D1082 Y1087 L1088 Q1089 P1198 F1201 V1202 | R1081-Y1085 PolarHBondContact O-N 2.76Å; D1082-Y1085 PolarHBondContact O-N 2.97Å; Y1085-Y1087 VanDerWaalsContact C-N 3.33Å; Y1085-Y1087 PolarHBondContact O-N 3.24Å; Y1085-L1088 PolarHBondContact O-N 3.33Å; Y1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; Y1085-Q1089 PolarHBondContact O-N 2.92Å; Y1085-P1198 HydrophobicContact CE2-CB 4.03Å; Y1085-F1201 AromaticContact CD2-CD1 3.41Å; Y1085-F1201 HydrophobicContact CD2-CD1 3.41Å; Y1085-F1201 VanDerWaalsContact CD2-CD1 3.41Å; Y1085-F1201 AromaticContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CE1 3.45Å; Y1085-F1201 VanDerWaalsContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CG 4.17Å; Y1085-F1201 HydrophobicContact CD2-CZ 4.21Å; Y1085-F1201 HydrophobicContact CE2-CD1 4.12Å; Y1085-F1201 HydrophobicContact CE2-CE1 4.37Å; Y1085-F1201 HydrophobicContact CG-CD1 4.22Å; Y1085-F1201 AromaticContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CZ 4.25Å; Y1085-V1202 HydrophobicContact CE2-CG2 4.32Å |
| 1086 | A | 95.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F962 D1082 H1083 L1084 S1090 | F962-A1086 HydrophobicContact CZ-CB 3.98Å; D1082-A1086 PolarHBondContact O-N 2.8Å; H1083-A1086 PolarHBondContact O-N 3.17Å; L1084-A1086 PolarHBondContact O-N 3.24Å; A1086-S1090 VanDerWaalsContact O-CB 3.26Å; A1086-S1090 WeakPolarHBondContact O-CB 3.23Å; A1086-S1090 PolarHBondContact O-N 3.1Å |
| 1087 | Y | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -50.6 | 173.5 | 179.7 | -90.9 | 0 | 0 | 0 | 111.7 | F962 W964 C1048 T1051 T1052 W1064 H1083 L1084 Y1085 Q1089 S1090 R1091 | F962-Y1087 HydrophobicContact CB-CD2 3.93Å; F962-Y1087 HydrophobicContact CB-CE2 4.14Å; F962-Y1087 AromaticContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD2-CD2 4.05Å; F962-Y1087 HydrophobicContact CE1-CD2 4.47Å; F962-Y1087 AromaticContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CE2 4.39Å; W964-Y1087 AromaticContact CE2-CD2 3.97Å; W964-Y1087 AromaticContact CH2-CD2 3.98Å; W964-Y1087 HydrophobicContact CH2-CD2 3.98Å; W964-Y1087 AromaticContact CH2-CG 3.88Å; W964-Y1087 HydrophobicContact CH2-CG 3.88Å; W964-Y1087 AromaticContact CZ2-CD2 3.3Å; W964-Y1087 HydrophobicContact CZ2-CD2 3.3Å; W964-Y1087 AromaticContact CZ2-CE2 3.9Å; W964-Y1087 HydrophobicContact CZ2-CE2 3.9Å; W964-Y1087 AromaticContact CZ2-CG 3.68Å; W964-Y1087 HydrophobicContact CZ2-CG 3.68Å; C1048-Y1087 HydrophobicContact CB-CD1 4.22Å; C1048-Y1087 HydrophobicContact CB-CE1 3.93Å; C1048-Y1087 HydrophobicContact CB-CE2 4.3Å; C1048-Y1087 PolarHBondContact O-OH 3.32Å; T1051-Y1087 PolarHBondContact OG1-OH 3.42Å; T1052-Y1087 WeakPolarHBondContact OG1-CE2 3.5Å; T1052-Y1087 PolarHBondContact OG1-OH 2.77Å; W1064-Y1087 HydrophobicContact CH2-CD1 4.41Å; W1064-Y1087 AromaticContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CZ2-CE1 4.06Å; H1083-Y1087 PolarHBondContact O-N 2.99Å; L1084-Y1087 PolarHBondContact O-N 3.27Å; Y1085-Y1087 VanDerWaalsContact C-N 3.33Å; Y1085-Y1087 PolarHBondContact O-N 3.24Å; Y1087-Q1089 PolarHBondContact O-N 3.09Å; Y1087-S1090 PolarHBondContact O-N 2.75Å; Y1087-R1091 HydrophobicContact CD1-CG 4.28Å; Y1087-R1091 HydrophobicContact CE1-CG 3.94Å; Y1087-R1091 HydrophobicContact CE2-CG 4.32Å; Y1087-R1091 WeakPolarHBondContact O-CG 3.38Å; Y1087-R1091 PolarHBondContact O-N 2.68Å; Y1087-R1091 PolarHBondContact OH-NE 2.95Å |
| 1088 | L | 97.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | -177.6 | -62.9 | 176.8 | 0 | 0 | 0 | 112 | W1064 L1067 L1071 L1084 Y1085 R1091 A1092 A1197 P1198 F1201 | W1064-L1088 HydrophobicContact CH2-CD2 4.08Å; W1064-L1088 HydrophobicContact CZ3-CD2 3.69Å; L1067-L1088 HydrophobicContact CD1-CD2 4.04Å; L1067-L1088 HydrophobicContact CD2-CD1 4.37Å; L1067-L1088 HydrophobicContact CD2-CD2 3.59Å; L1071-L1088 HydrophobicContact CD1-CD1 3.88Å; L1084-L1088 HydrophobicContact CD1-CD1 4.18Å; L1084-L1088 HydrophobicContact CD1-CD2 4.35Å; L1084-L1088 HydrophobicContact CD1-CG 4.07Å; L1084-L1088 HydrophobicContact CG-CD1 3.93Å; L1084-L1088 HydrophobicContact CG-CG 4.23Å; L1084-L1088 VanDerWaalsContact O-CG 3.27Å; L1084-L1088 WeakPolarHBondContact O-CG 3.42Å; L1084-L1088 PolarHBondContact O-N 3.07Å; Y1085-L1088 PolarHBondContact O-N 3.33Å; L1088-R1091 PolarHBondContact O-N 3.1Å; L1088-A1092 VanDerWaalsContact O-CB 3.25Å; L1088-A1092 WeakPolarHBondContact O-CB 3.33Å; L1088-A1092 PolarHBondContact O-N 3.44Å; L1088-A1197 HydrophobicContact CB-CB 4.48Å; L1088-A1197 HydrophobicContact CD1-CB 4.4Å; L1088-A1197 HydrophobicContact CD2-CB 3.92Å; L1088-A1197 HydrophobicContact CG-CB 4.48Å; L1088-P1198 HydrophobicContact CB-CG 4.17Å; L1088-F1201 HydrophobicContact CD1-CB 3.87Å; L1088-F1201 HydrophobicContact CD1-CD2 3.99Å; L1088-F1201 HydrophobicContact CD1-CG 4.22Å |
| 1089 | Q | 93.7 | Very high | 87.8 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -47.8 | 178.4 | -171.5 | 60.5 | 41.8 | 0 | 0 | 111.4 | Y1085 Y1087 R1091 A1092 D1093 | Y1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; Y1085-Q1089 PolarHBondContact O-N 2.92Å; Y1087-Q1089 PolarHBondContact O-N 3.09Å; Q1089-R1091 VanDerWaalsContact C-N 3.26Å; Q1089-R1091 PolarHBondContact O-N 2.93Å; Q1089-A1092 PolarHBondContact O-N 2.97Å; Q1089-D1093 VanDerWaalsContact NE2-CG 3.25Å; Q1089-D1093 PolarHBondContact NE2-OD1 3.33Å; Q1089-D1093 VanDerWaalsContact NE2-OD1 3.09Å; Q1089-D1093 PolarHBondContact NE2-OD2 3.39Å; Q1089-D1093 PolarHBondContact O-N 2.84Å |
| 1090 | S | 95 | Very high | 85.1 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.1 | -42.9 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 112 | A1086 Y1087 A1094 | A1086-S1090 VanDerWaalsContact O-CB 3.26Å; A1086-S1090 WeakPolarHBondContact O-CB 3.23Å; A1086-S1090 PolarHBondContact O-N 3.1Å; Y1087-S1090 PolarHBondContact O-N 2.75Å; S1090-A1094 VanDerWaalsContact O-CB 3.26Å; S1090-A1094 WeakPolarHBondContact O-CB 3.31Å; S1090-A1094 PolarHBondContact O-N 3.23Å |
| 1091 | R | 95.3 | Very high | 82.1 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.2 | -34.5 | 176.9 | -62.3 | -67.6 | -172.3 | -134.6 | -3.3 | 113.1 | S957 F958 G960 P961 T1052 W1064 Y1087 L1088 Q1089 S1095 A1194 | S957-R1091 PolarHBondContact O-NH1 3.46Å; F958-R1091 HydrophobicContact CE2-CB 4.47Å; F958-R1091 WeakPolarHBondContact CE2-O 3.28Å; F958-R1091 WeakPolarHBondContact O-CD 3.47Å; F958-R1091 PolarHBondContact O-NE 3.49Å; F958-R1091 PolarHBondContact O-NH1 3.43Å; G960-R1091 PolarHBondContact O-NH1 2.92Å; G960-R1091 PolarHBondContact O-NH2 2.92Å; P961-R1091 PolarHBondContact O-NH1 3.08Å; P961-R1091 VanDerWaalsContact O-NH1 3.1Å; P961-R1091 PolarHBondContact O-NH2 2.89Å; P961-R1091 VanDerWaalsContact O-NH2 3.16Å; T1052-R1091 PolarHBondContact OG1-NH2 2.97Å; W1064-R1091 HydrophobicContact CH2-CB 3.49Å; W1064-R1091 VanDerWaalsContact CH2-CB 3.49Å; W1064-R1091 HydrophobicContact CH2-CG 3.76Å; W1064-R1091 HydrophobicContact CZ2-CB 3.66Å; W1064-R1091 HydrophobicContact CZ2-CG 3.72Å; Y1087-R1091 HydrophobicContact CD1-CG 4.28Å; Y1087-R1091 HydrophobicContact CE1-CG 3.94Å; Y1087-R1091 HydrophobicContact CE2-CG 4.32Å; Y1087-R1091 WeakPolarHBondContact O-CG 3.38Å; Y1087-R1091 PolarHBondContact O-N 2.68Å; Y1087-R1091 PolarHBondContact OH-NE 2.95Å; L1088-R1091 PolarHBondContact O-N 3.1Å; Q1089-R1091 VanDerWaalsContact C-N 3.26Å; Q1089-R1091 PolarHBondContact O-N 2.93Å; R1091-S1095 VanDerWaalsContact O-CB 3.29Å; R1091-S1095 WeakPolarHBondContact O-CB 3.29Å; R1091-S1095 PolarHBondContact O-N 3.17Å; R1091-S1095 VanDerWaalsContact O-N 3.08Å; R1091-A1194 HydrophobicContact CB-CB 4.49Å |
| 1092 | A | 91.5 | Very high | 79 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1088 Q1089 S1095 A1194 R1195 P1198 | L1088-A1092 VanDerWaalsContact O-CB 3.25Å; L1088-A1092 WeakPolarHBondContact O-CB 3.33Å; L1088-A1092 PolarHBondContact O-N 3.44Å; Q1089-A1092 PolarHBondContact O-N 2.97Å; A1092-S1095 PolarHBondContact O-OG 2.58Å; A1092-A1194 WeakPolarHBondContact CB-O 3.17Å; A1092-R1195 WeakPolarHBondContact O-CD 3.48Å; A1092-R1195 PolarHBondContact O-NH1 2.93Å; A1092-P1198 HydrophobicContact CB-CG 3.57Å |
| 1093 | D | 89.2 | Confident | 75.8 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -80.3 | -40 | 177.1 | -64.3 | -29.4 | 0 | 0 | 0 | 111 | Q1089 S1095 V1096 R1195 | Q1089-D1093 VanDerWaalsContact NE2-CG 3.25Å; Q1089-D1093 PolarHBondContact NE2-OD1 3.33Å; Q1089-D1093 VanDerWaalsContact NE2-OD1 3.09Å; Q1089-D1093 PolarHBondContact NE2-OD2 3.39Å; Q1089-D1093 PolarHBondContact O-N 2.84Å; D1093-S1095 PolarHBondContact O-N 3.48Å; D1093-S1095 VanDerWaalsContact O-N 3.12Å; D1093-V1096 PolarHBondContact O-N 2.85Å; D1093-R1195 IonicContact OD1-NH1 2.67Å; D1093-R1195 PolarHBondContact OD1-NH1 2.9Å |
| 1094 | A | 91.1 | Very high | 72.8 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -2.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V948 S1090 | V948-A1094 WeakPolarHBondContact CG2-O 3.36Å; S1090-A1094 VanDerWaalsContact O-CB 3.26Å; S1090-A1094 WeakPolarHBondContact O-CB 3.31Å; S1090-A1094 PolarHBondContact O-N 3.23Å |
| 1095 | S | 88.2 | Confident | 69.4 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.4 | 179.3 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | Y947 V948 R1091 A1092 D1093 R1195 | Y947-S1095 WeakPolarHBondContact CA-O 3.32Å; V948-S1095 PolarHBondContact N-O 3.1Å; R1091-S1095 VanDerWaalsContact O-CB 3.29Å; R1091-S1095 WeakPolarHBondContact O-CB 3.29Å; R1091-S1095 PolarHBondContact O-N 3.17Å; R1091-S1095 VanDerWaalsContact O-N 3.08Å; A1092-S1095 PolarHBondContact O-OG 2.58Å; D1093-S1095 PolarHBondContact O-N 3.48Å; D1093-S1095 VanDerWaalsContact O-N 3.12Å; S1095-R1195 WeakPolarHBondContact OG-CD 3.48Å |
| 1096 | V | 81.3 | Confident | 66 | Low | 21 Ų | 21 | 61.8 Ų | 61.8 | 13% | 0.127 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.2 | -174 | 165.7 | 0 | 0 | 0 | 0 | 110.6 | Q945 I946 Y947 D1093 | Q945-V1096 HydrophobicContact CB-CG1 3.65Å; Q945-V1096 HydrophobicContact CB-CG2 4.45Å; Q945-V1096 HydrophobicContact CG-CG1 3.66Å; I946-V1096 CarbonylContact O-C 3.5Å; I946-V1096 WeakPolarHBondContact O-CA 3.01Å; Y947-V1096 HydrophobicContact CD1-CG2 4.04Å; Y947-V1096 HydrophobicContact CE1-CG2 3.93Å; Y947-V1096 HydrophobicContact CG-CG2 4.46Å; D1093-V1096 PolarHBondContact O-N 2.85Å |
| 1097 | I | 71.3 | Confident | 62.7 | Low | 41 Ų | 41 | 64.7 Ų | 64.7 | 21% | 0.21 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.6 | 162.9 | -53.1 | 97.1 | 0 | 0 | 0 | 109.1 | I946 V948 H952 A954 | I946-I1097 HydrophobicContact CB-CB 4.5Å; I946-I1097 HydrophobicContact CB-CD1 4.38Å; I946-I1097 HydrophobicContact CG2-CD1 4.19Å; I946-I1097 PolarHBondContact N-O 3.26Å; I946-I1097 WeakPolarHBondContact O-CD1 3.2Å; I946-I1097 PolarHBondContact O-N 3.44Å; V948-I1097 HydrophobicContact CG2-CD1 3.58Å; V948-I1097 HydrophobicContact CG2-CG1 4.4Å; H952-I1097 WeakPolarHBondContact CE1-CD1 3.45Å; A954-I1097 HydrophobicContact CB-CD1 4.44Å; A954-I1097 HydrophobicContact CB-CG1 4.39Å |
| 1098 | L | 58.5 | Low | 59.2 | Low | 104 Ų | 104 | 70.8 Ų | 70.8 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | trans | -86 | 123.8 | 163 | -65.3 | 173.4 | 0 | 0 | 0 | 108.5 | T943 Q945 S1100 | T943-L1098 HydrophobicContact CG2-CD2 4.37Å; Q945-L1098 HydrophobicContact CG-CD2 4.14Å; L1098-S1100 PolarHBondContact O-N 3.24Å | ||
| 1099 | N | 45.4 | Very low | 55.8 | Low | 106 Ų | 106 | 77 Ų | 77 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | trans | -74.7 | 63.1 | 174.4 | -86.4 | -10.7 | 0 | 0 | 0 | 111.8 | ||||
| 1100 | S | 31.7 | Very low | 52.6 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 69% | 0.685 | 50% | 0.504 | S | S | * | . | trans | -72.7 | 121.1 | 159.9 | -63.4 | 0 | 0 | 0 | 0 | 108.1 | L1098 T1102 | L1098-S1100 PolarHBondContact O-N 3.24Å; S1100-T1102 PolarHBondContact O-N 3.38Å | ||
| 1101 | G | 27.9 | Very low | 49.4 | Very low | 84 Ų | 84 | 89.2 Ų | 89.2 | 87% | 0.866 | 53% | 0.53 | S | S | * | . | trans | -73.2 | 107.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1102 | T | 29.2 | Very low | 46.2 | Very low | 112 Ų | 112 | 97.2 Ų | 97.2 | 69% | 0.687 | 57% | 0.567 | S | S | * | * | trans | -116 | 103.6 | 166.6 | -54.9 | 0 | 0 | 0 | 0 | 110 | S1100 T1104 | S1100-T1102 PolarHBondContact O-N 3.38Å; T1102-T1104 HydrophobicContact CG2-CG2 4.07Å; T1102-T1104 PolarHBondContact O-N 2.85Å | ||
| 1103 | I | 24.9 | Very low | 43.2 | Very low | 158 Ų | 158 | 103.4 Ų | 103.4 | 81% | 0.81 | 60% | 0.601 | S | S | * | * | trans | -79.2 | 107.8 | 160.6 | -62.2 | 169.2 | 0 | 0 | 0 | 106.8 | T1105 | I1103-T1105 HydrophobicContact CG2-CG2 4.41Š| ||
| 1104 | T | 31 | Very low | 40.3 | Very low | 123 Ų | 123 | 107.9 Ų | 107.9 | 76% | 0.755 | 62% | 0.624 | S | S | * | * | trans | -123.8 | 90.9 | 159.4 | 33.5 | 0 | 0 | 0 | 0 | 109 | T1102 | T1102-T1104 HydrophobicContact CG2-CG2 4.07Å; T1102-T1104 PolarHBondContact O-N 2.85Å | ||
| 1105 | T | 25.7 | Very low | 37 | Very low | 108 Ų | 108 | 114 Ų | 114 | 66% | 0.663 | 65% | 0.65 | S | S | * | * | trans | -54 | 142.5 | 162.2 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | I1103 S1107 | I1103-T1105 HydrophobicContact CG2-CG2 4.41Å; T1105-S1107 PolarHBondContact O-N 3.47Å | ||
| 1106 | T | 24.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 83% | 0.828 | 69% | 0.687 | S | S | * | * | trans | -58.2 | 132.1 | 166.8 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1107 | S | 26.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -135.2 | 77.6 | 172.9 | -69.7 | 0 | 0 | 0 | 0 | 109.4 | T1105 N1109 | T1105-S1107 PolarHBondContact O-N 3.47Å; S1107-N1109 PolarHBondContact O-N 2.86Å | ||
| 1108 | T | 24.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -76.5 | 113.3 | 171.1 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1109 | N | 26 | Very low | 28 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | -174.6 | 140.2 | 168.8 | -97.6 | -19.1 | 0 | 0 | 0 | 108.1 | S1107 | S1107-N1109 PolarHBondContact O-N 2.86Š| ||
| 1110 | F | 25.8 | Very low | 27.1 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | cis | -136 | 160.7 | -3.3 | -85.9 | -80.6 | 0 | 0 | 0 | 109.7 | ||||
| 1111 | N | 27.6 | Very low | 26.9 | Very low | 167 Ų | 167 | 138 Ų | 138 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -114.5 | 134.1 | 158.4 | -100.7 | 1.5 | 0 | 0 | 0 | 109.6 | ||||
| 1112 | Q | 29.2 | Very low | 26.9 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -151.7 | 134.9 | 167.4 | -95 | 177.3 | -23.6 | 0 | 0 | 105.1 | ||||
| 1113 | N | 28.2 | Very low | 26.8 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -115.2 | 174.6 | 10.4 | -49.6 | -59.4 | 0 | 0 | 0 | 109.7 | ||||
| 1114 | D | 27.7 | Very low | 26.8 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | cis | -134.7 | 158.1 | 25.1 | -77.4 | -57.2 | 0 | 0 | 0 | 114.7 | ||||
| 1115 | M | 22.7 | Very low | 26.7 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | 12.6 | 135.2 | 149.5 | -42.4 | -54.3 | 162.6 | 0 | 0 | 118.4 | ||||
| 1116 | V | 29.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | cis | -147.4 | 165.1 | 40.6 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1117 | E | 25.2 | Very low | 27 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -42 | 165 | 170.6 | -49.1 | 160.4 | 118.6 | 0 | 0 | 115.8 | ||||
| 1118 | F | 26.8 | Very low | 27.3 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | cis | -156.2 | 146.6 | 33.1 | -120.9 | -72.3 | 0 | 0 | 0 | 114.2 | ||||
| 1119 | N | 28.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | 20 | 116 | 159.1 | -67.1 | -8 | 0 | 0 | 0 | 124.2 | ||||
| 1120 | N | 25.9 | Very low | 28.1 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | 30.9 | 125.9 | 112.2 | -62.9 | -22 | 0 | 0 | 0 | 121.9 | |||||
| 1121 | H | 27.9 | Very low | 28.5 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 83% | 0.833 | 72% | 0.722 | S | S | * | * | -167.9 | 101.4 | 118.9 | -94.9 | -62.6 | 0 | 0 | 0 | 108.5 | |||||
| 1122 | T | 26.9 | Very low | 28.7 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 59% | 0.589 | 71% | 0.705 | S | S | * | * | 79.3 | 120.9 | 73.7 | 61.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1123 | V | 27 | Very low | 29 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | 78.4 | 138.2 | 134.2 | 165.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1124 | S | 25.6 | Very low | 29.1 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | cis | -170.9 | -174.7 | -18 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1125 | T | 28.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 64.5 | 133.3 | 145.9 | 48.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1126 | E | 27.1 | Very low | 29.9 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | cis | -160 | 154.9 | -5.5 | -132 | -168.6 | 122.6 | 0 | 0 | 115.4 | ||||
| 1127 | S | 29.8 | Very low | 30 | Very low | 72 Ų | 72 | 119.8 Ų | 119.8 | 50% | 0.503 | 69% | 0.686 | S | S | . | * | trans | 18 | 144.3 | 133.3 | -167.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1128 | S | 32.8 | Very low | 30 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | 166.4 | 39.7 | 124.3 | 51.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1129 | L | 29.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -128.7 | -27 | 173.5 | -157.3 | 65.9 | 0 | 0 | 0 | 117 | ||
| 1130 | K | 38 | Very low | 30.3 | Very low | 193 Ų | 193 | 118.4 Ų | 118.4 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -29.9 | 179.4 | -73 | -174.9 | 175.9 | 179.6 | 0 | 113.7 | ||
| 1131 | T | 34.2 | Very low | 30.3 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | -35.7 | -177.4 | -36.4 | 0 | 0 | 0 | 0 | 112.7 | T1133 A1134 | T1131-T1133 VanDerWaalsContact C-N 3.28Å; T1131-T1133 PolarHBondContact O-N 3.43Å; T1131-A1134 PolarHBondContact O-N 3.49Å |
| 1132 | A | 31.2 | Very low | 30.2 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -64.1 | -30.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1134 | A1132-A1134 VanDerWaalsContact C-N 3.32Å; A1132-A1134 PolarHBondContact O-N 2.79Å |
| 1133 | T | 35.9 | Very low | 30.2 | Very low | 109 Ų | 109 | 119 Ų | 119 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -73.7 | -21.4 | -179.9 | -46.4 | 0 | 0 | 0 | 0 | 113.2 | T1131 | T1131-T1133 VanDerWaalsContact C-N 3.28Å; T1131-T1133 PolarHBondContact O-N 3.43Å |
| 1134 | A | 31 | Very low | 30.1 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -85.2 | -15.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | T1131 A1132 | T1131-A1134 PolarHBondContact O-N 3.49Å; A1132-A1134 VanDerWaalsContact C-N 3.32Å; A1132-A1134 PolarHBondContact O-N 2.79Å |
| 1135 | I | 34.7 | Very low | 30.2 | Very low | 136 Ų | 136 | 120 Ų | 120 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -92.6 | -20.2 | -175.1 | -63 | 171.2 | 0 | 0 | 0 | 111.6 | S1137 | I1135-S1137 VanDerWaalsContact C-N 3.29Å; I1135-S1137 PolarHBondContact O-N 3.49Å |
| 1136 | A | 32.3 | Very low | 30.1 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 79% | 0.793 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -85.5 | 12 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1137 | S | 31.3 | Very low | 30.1 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -140.3 | 53.6 | -175.4 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | I1135 L1139 | I1135-S1137 VanDerWaalsContact C-N 3.29Å; I1135-S1137 PolarHBondContact O-N 3.49Å; S1137-L1139 PolarHBondContact O-N 3.01Å |
| 1138 | G | 25.6 | Very low | 30 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | trans | -67.7 | 108.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1139 | L | 30.9 | Very low | 29.8 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | trans | -146.3 | 150.5 | 143.7 | -98.7 | 174.9 | 0 | 0 | 0 | 108 | S1137 | S1137-L1139 PolarHBondContact O-N 3.01Š| ||
| 1140 | N | 30.5 | Very low | 29.6 | Very low | 161 Ų | 161 | 120.7 Ų | 120.7 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -89.3 | 149.9 | -162.4 | -102 | -16.3 | 0 | 0 | 0 | 114.7 | ||||
| 1141 | P | 25.4 | Very low | 29.1 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 59% | 0.591 | 73% | 0.725 | S | S | * | * | trans | -89 | 162.4 | 168.2 | 37.2 | -34.4 | 0 | 0 | 0 | 112.8 | ||||
| 1142 | F | 26.7 | Very low | 28.6 | Very low | 197 Ų | 197 | 122.6 Ų | 122.6 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | 66.4 | 106.1 | 171.2 | -55.1 | -75 | 0 | 0 | 0 | 118.3 | ||||
| 1143 | S | 26.5 | Very low | 28.2 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 92% | 0.923 | 75% | 0.749 | S | S | * | * | -132.9 | 138.5 | 115.4 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1144 | A | 24.7 | Very low | 27.7 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | trans | -151.2 | 133.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1145 | N | 28.1 | Very low | 27.3 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -172.3 | 119.1 | 151.3 | -90.3 | -33.9 | 0 | 0 | 0 | 107 | ||||
| 1146 | N | 26.5 | Very low | 26.7 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | cis | 92.5 | 112.5 | 19.4 | -160.6 | 22 | 0 | 0 | 0 | 116 | ||||
| 1147 | S | 27.2 | Very low | 26.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -154.7 | 105.6 | 160.7 | 53 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1148 | N | 27.4 | Very low | 25.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | 55.9 | 133.8 | 59.3 | -65.3 | -18.4 | 0 | 0 | 0 | 112.5 | |||||
| 1149 | N | 27.7 | Very low | 25.7 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | -153.4 | 174.1 | 17.2 | -122.1 | -26.7 | 0 | 0 | 0 | 115.4 | ||||
| 1150 | N | 25.9 | Very low | 25.3 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -68.1 | 156.3 | -172.2 | -55.9 | -78.2 | 0 | 0 | 0 | 118.2 | ||||
| 1151 | L | 26.8 | Very low | 25 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -164.3 | 151 | 146.1 | -126.8 | 79 | 0 | 0 | 0 | 107.9 | ||||
| 1152 | M | 23.7 | Very low | 24.9 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | cis | -155 | 168.3 | -5.8 | -154.6 | 175.9 | 69.4 | 0 | 0 | 110.1 | ||||
| 1153 | H | 23.8 | Very low | 24.8 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | trans | -108.8 | 145.4 | 172.7 | -132.5 | -84.5 | 0 | 0 | 0 | 111.7 | ||||
| 1154 | K | 24.7 | Very low | 24.7 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 110.7 | 121.9 | 177.2 | -70.8 | -177.6 | 171.7 | -175.1 | 0 | 112.8 | ||||
| 1155 | Y | 22.8 | Very low | 24.5 | Very low | 212 Ų | 212 | 145 Ų | 145 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | -147.8 | -168 | 50.2 | -112.4 | -84.6 | 0 | 0 | 0 | 113.1 | |||||
| 1156 | Q | 22.2 | Very low | 24.3 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -146.6 | 153 | -168.7 | -170.7 | 179.2 | -2.3 | 0 | 0 | 110.7 | ||||
| 1157 | Q | 22.7 | Very low | 24.2 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | 73.8 | 145.9 | -174.9 | -50.8 | 177.9 | -0.7 | 0 | 0 | 113.3 | ||||
| 1158 | S | 22.2 | Very low | 24 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -150 | -178.8 | 1.8 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1159 | N | 23.8 | Very low | 24 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -41.9 | 168.8 | 177.6 | -35.2 | -7.3 | 0 | 0 | 0 | 116.7 | ||||
| 1160 | D | 22.7 | Very low | 23.8 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -163.6 | 173.3 | 30.7 | -131.5 | -42.9 | 0 | 0 | 0 | 116.1 | ||||
| 1161 | L | 24.3 | Very low | 23.7 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 60.5 | 127.2 | 153.7 | -71.8 | 165.6 | 0 | 0 | 0 | 125.5 | ||||
| 1162 | L | 23.2 | Very low | 23.7 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 4.5 | 138.8 | 144 | -84.5 | 60.7 | 0 | 0 | 0 | 120.1 | ||||
| 1163 | T | 24 | Very low | 23.7 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -170.9 | 158.2 | 75.8 | 28.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1164 | N | 23.7 | Very low | 24 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -12.6 | 133 | 163.9 | -58.6 | -40.8 | 0 | 0 | 0 | 120.9 | ||||
| 1165 | S | 22 | Very low | 23.9 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | 164.4 | 128.8 | 103.6 | 175.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1166 | K | 23 | Very low | 24.4 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | 37 | 113.3 | 149.8 | -54.5 | 164.8 | -164.9 | 165.2 | 0 | 118.8 | ||||
| 1167 | H | 24 | Very low | 24.9 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | 177 | 109.6 | 106.9 | -98.7 | -77.9 | 0 | 0 | 0 | 110 | T1169 | H1167-T1169 PolarHBondContact O-N 2.74Š| |||
| 1168 | F | 24 | Very low | 25.7 | Very low | 221 Ų | 221 | 128.6 Ų | 128.6 | 97% | 0.969 | 69% | 0.686 | S | S | * | * | trans | -81.1 | 102.9 | 165.6 | -101.3 | -84.5 | 0 | 0 | 0 | 108.5 | ||||
| 1169 | T | 26.7 | Very low | 26.5 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | trans | -78.9 | 140.8 | 170 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | H1167 | H1167-T1169 PolarHBondContact O-N 2.74Š| ||
| 1170 | S | 23.3 | Very low | 27.5 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | trans | -71.2 | 128.6 | 163.5 | 50.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1171 | H | 24.5 | Very low | 28.4 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | 175.4 | 126.7 | 124.3 | -84.3 | -48.8 | 0 | 0 | 0 | 110.9 | |||||
| 1172 | S | 26.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 110 Ų | 110 | 57% | 0.573 | 59% | 0.589 | S | S | * | * | trans | -144.3 | 105.1 | 152.2 | 50.2 | 0 | 0 | 0 | 0 | 107.4 | H1174 | S1172-H1174 PolarHBondContact O-N 2.65Å; S1172-H1174 PolarHBondContact OG-CD2 3.24Å | ||
| 1173 | N | 24.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 104 Ų | 104 | 78% | 0.781 | 56% | 0.562 | S | S | * | * | trans | -74.5 | 69.2 | 174.1 | -78.2 | -7.8 | 0 | 0 | 0 | 109.2 | N1175 | N1173-N1175 VanDerWaalsContact C-N 3.35Å; N1173-N1175 PolarHBondContact O-N 2.8Å | ||
| 1174 | H | 28.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 100.9 Ų | 100.9 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | trans | -74.4 | 91.4 | 171.8 | -77.8 | -60.4 | 0 | 0 | 0 | 109.3 | S1172 Y1176 | S1172-H1174 PolarHBondContact O-N 2.65Å; S1172-H1174 PolarHBondContact OG-CD2 3.24Å; H1174-Y1176 HydrophobicContact CB-CD2 3.67Å; H1174-Y1176 HydrophobicContact CB-CE2 3.88Å; H1174-Y1176 HydrophobicContact CB-CG 4.28Å; H1174-Y1176 AromaticContact CG-CE2 3.7Å; H1174-Y1176 AromaticContact ND1-CE2 3.74Å; H1174-Y1176 AromaticContact ND1-CZ 3.8Å; H1174-Y1176 PolarHBondContact O-N 2.89Å | ||
| 1175 | N | 24.4 | Very low | 32.7 | Very low | 147 Ų | 147 | 96.8 Ų | 96.8 | 79% | 0.786 | 52% | 0.517 | S | S | * | . | trans | -66.9 | 57.6 | 157.6 | -77.9 | -10.9 | 0 | 0 | 0 | 110.1 | N1173 T1177 | N1173-N1175 VanDerWaalsContact C-N 3.35Å; N1173-N1175 PolarHBondContact O-N 2.8Å; N1175-T1177 PolarHBondContact O-N 3.43Å | ||
| 1176 | Y | 31.9 | Very low | 34.1 | Very low | 102 Ų | 102 | 99.2 Ų | 99.2 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | trans | -69.7 | 91.5 | 162.2 | -74.6 | -46.6 | 0 | 0 | 0 | 107.5 | H1174 M1178 | H1174-Y1176 HydrophobicContact CB-CD2 3.67Å; H1174-Y1176 HydrophobicContact CB-CE2 3.88Å; H1174-Y1176 HydrophobicContact CB-CG 4.28Å; H1174-Y1176 AromaticContact CG-CE2 3.7Å; H1174-Y1176 AromaticContact ND1-CE2 3.74Å; H1174-Y1176 AromaticContact ND1-CZ 3.8Å; H1174-Y1176 PolarHBondContact O-N 2.89Å; Y1176-M1178 VanDerWaalsContact C-N 3.27Å; Y1176-M1178 PolarHBondContact O-N 3.07Å | ||
| 1177 | T | 33.4 | Very low | 36.4 | Very low | 89 Ų | 89 | 99 Ų | 99 | 55% | 0.546 | 52% | 0.517 | S | S | . | . | trans | -56 | 100.9 | 156.6 | -53 | 0 | 0 | 0 | 0 | 106.7 | N1175 G1179 | N1175-T1177 PolarHBondContact O-N 3.43Å; T1177-G1179 PolarHBondContact O-N 3.42Å | ||
| 1178 | M | 39.8 | Very low | 39 | Very low | 52 Ų | 52 | 92.3 Ų | 92.3 | 26% | 0.256 | 49% | 0.489 | S | S | . | . | trans | -74.2 | 58.2 | 175.9 | -66.7 | -66.4 | -85.8 | 0 | 0 | 109.1 | Y1176 I1180 R1195 | Y1176-M1178 VanDerWaalsContact C-N 3.27Å; Y1176-M1178 PolarHBondContact O-N 3.07Å; M1178-I1180 PolarHBondContact O-N 2.82Å; M1178-R1195 WeakPolarHBondContact CE-O 3.35Å | ||
| 1179 | G | 37.4 | Very low | 42.1 | Very low | 15 Ų | 15 | 82.8 Ų | 82.8 | 16% | 0.155 | 45% | 0.449 | C | S | . | . | trans | -69 | 79.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q945 T1177 A1181 | Q945-G1179 PolarHBondContact NE2-O 2.86Å; Q945-G1179 PolarHBondContact OE1-O 3.42Å; T1177-G1179 PolarHBondContact O-N 3.42Å; G1179-A1181 PolarHBondContact O-N 3.33Å; G1179-A1181 VanDerWaalsContact O-N 3.17Å | ||
| 1180 | I | 45.9 | Very low | 45.2 | Very low | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.077 | 42% | 0.415 | C | S | . | . | trans | -54.2 | 116.5 | 162.5 | -60.5 | 166.5 | 0 | 0 | 0 | 105.4 | M1178 L1182 W1185 V1196 | M1178-I1180 PolarHBondContact O-N 2.82Å; I1180-L1182 WeakPolarHBondContact O-CD2 3.43Å; I1180-L1182 WeakPolarHBondContact O-CG 3.32Å; I1180-L1182 PolarHBondContact O-N 3.38Å; I1180-L1182 VanDerWaalsContact O-N 3.08Å; I1180-W1185 HydrophobicContact CG2-CZ2 4Å; I1180-V1196 HydrophobicContact CD1-CG1 3.92Å; I1180-V1196 HydrophobicContact CG1-CG1 4.37Å | ||
| 1181 | A | 42.3 | Very low | 48.4 | Very low | 44 Ų | 44 | 73 Ų | 73 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -59.5 | 121.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108 | G1179 G1183 W1185 | G1179-A1181 PolarHBondContact O-N 3.33Å; G1179-A1181 VanDerWaalsContact O-N 3.17Å; A1181-G1183 PolarHBondContact O-N 3.47Å; A1181-W1185 HydrophobicContact CB-CH2 3.93Å; A1181-W1185 HydrophobicContact CB-CZ2 4.46Å; A1181-W1185 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 1182 | L | 45 | Very low | 51.4 | Low | 54 Ų | 54 | 66.2 Ų | 66.2 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | trans | -76.5 | 11.5 | -157.1 | -69.7 | 176.8 | 0 | 0 | 0 | 115.4 | I1180 P1231 I1244 R1301 V1303 | I1180-L1182 WeakPolarHBondContact O-CD2 3.43Å; I1180-L1182 WeakPolarHBondContact O-CG 3.32Å; I1180-L1182 PolarHBondContact O-N 3.38Å; I1180-L1182 VanDerWaalsContact O-N 3.08Å; L1182-P1231 HydrophobicContact CD2-CG 4.11Å; L1182-I1244 HydrophobicContact CD1-CG1 3.89Å; L1182-I1244 HydrophobicContact CD2-CD1 4.27Å; L1182-I1244 HydrophobicContact CD2-CG1 3.74Å; L1182-R1301 PolarHBondContact O-NH2 2.86Å; L1182-V1303 HydrophobicContact CB-CG2 4.19Å | ||
| 1183 | G | 38.9 | Very low | 54.5 | Low | 20 Ų | 20 | 62.5 Ų | 62.5 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -70.9 | 167.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | A1181 R1301 | A1181-G1183 PolarHBondContact O-N 3.47Å; G1183-R1301 PolarHBondContact O-NH2 3.21Å |
| 1184 | P | 45.1 | Very low | 57.8 | Low | 60 Ų | 60 | 55.5 Ų | 55.5 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | trans | -68 | 140.7 | 162.9 | 30.4 | -33.1 | 0 | 0 | 0 | 110.1 | ||||
| 1185 | W | 55.8 | Low | 60.7 | Low | 70 Ų | 70 | 50.9 Ų | 50.9 | 27% | 0.265 | 27% | 0.268 | S | S | . | . | trans | -108 | 90.3 | 179.4 | -53.1 | 116.4 | 0 | 0 | 0 | 109.9 | Y947 I1180 A1181 R1187 P1188 H1192 | Y947-W1185 HydrophobicContact CD2-CH2 4.17Å; Y947-W1185 HydrophobicContact CD2-CZ3 4.46Å; Y947-W1185 AromaticContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CZ2 4.37Å; Y947-W1185 HydrophobicContact CE2-CZ3 4.27Å; Y947-W1185 AromaticContact CZ-CH2 3.95Å; I1180-W1185 HydrophobicContact CG2-CZ2 4Å; A1181-W1185 HydrophobicContact CB-CH2 3.93Å; A1181-W1185 HydrophobicContact CB-CZ2 4.46Å; A1181-W1185 WeakPolarHBondContact O-CZ2 3.34Å; W1185-R1187 PolarHBondContact O-N 2.76Å; W1185-R1187 VanDerWaalsContact O-N 3.13Å; W1185-P1188 HydrophobicContact CB-CB 4.41Å; W1185-P1188 WeakPolarHBondContact O-CD 3.48Å; W1185-H1192 AromaticContact CD2-CD2 3.59Å; W1185-H1192 AromaticContact CD2-NE2 3.9Å; W1185-H1192 AromaticContact CE2-CD2 3.77Å; W1185-H1192 AromaticContact CE3-CD2 3.48Å; W1185-H1192 VanDerWaalsContact CE3-CD2 3.48Å; W1185-H1192 AromaticContact CE3-NE2 3.27Å; W1185-H1192 VanDerWaalsContact CE3-NE2 3.27Å; W1185-H1192 AromaticContact CH2-CD2 3.68Å; W1185-H1192 AromaticContact CH2-NE2 3.77Å; W1185-H1192 AromaticContact CZ2-CD2 3.82Å; W1185-H1192 AromaticContact CZ3-CD2 3.53Å; W1185-H1192 AromaticContact CZ3-NE2 3.2Å; W1185-H1192 WeakPolarHBondContact CZ3-NE2 3.19Å | ||
| 1186 | D | 51.8 | Low | 63.6 | Low | 141 Ų | 141 | 44.1 Ų | 44.1 | 75% | 0.754 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -48.2 | -42.2 | 178.9 | -85.2 | -32 | 0 | 0 | 0 | 113.4 | ||
| 1187 | R | 69.9 | Low | 66.4 | Low | 171 Ų | 171 | 39.2 Ų | 39.2 | 65% | 0.645 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -139.9 | 84.7 | -177 | -68 | -175.5 | 176.3 | 151.8 | -1.1 | 109.8 | S926 W1185 T1189 | S926-R1187 PolarHBondContact OG-NH2 3.08Å; W1185-R1187 PolarHBondContact O-N 2.76Å; W1185-R1187 VanDerWaalsContact O-N 3.13Å; R1187-T1189 WeakPolarHBondContact O-CG2 3.39Å; R1187-T1189 PolarHBondContact O-N 3.41Å |
| 1188 | P | 79.4 | Confident | 69.1 | Low | 32 Ų | 32 | 35.2 Ų | 35.2 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | trans | -65.6 | 124.4 | -177.7 | 26.6 | -34 | 0 | 0 | 0 | 111 | T1061 W1185 F1193 L1229 | T1061-P1188 WeakPolarHBondContact CG2-O 3.36Å; W1185-P1188 HydrophobicContact CB-CB 4.41Å; W1185-P1188 WeakPolarHBondContact O-CD 3.48Å; P1188-F1193 HydrophobicContact CB-CE2 3.94Å; P1188-F1193 HydrophobicContact CB-CZ 4.25Å; P1188-F1193 HydrophobicContact CG-CE2 4.28Å; P1188-F1193 HydrophobicContact CG-CZ 4.36Å; P1188-L1229 HydrophobicContact CB-CD1 3.25Å; P1188-L1229 HydrophobicContact CG-CD1 4.13Å | ||
| 1189 | T | 88.5 | Confident | 71.1 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 14% | 0.135 | 18% | 0.182 | C | C | . | . | trans | -100 | 168.3 | -177.1 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | R1187 A1191 H1192 F1193 | R1187-T1189 WeakPolarHBondContact O-CG2 3.39Å; R1187-T1189 PolarHBondContact O-N 3.41Å; T1189-A1191 PolarHBondContact O-N 3.12Å; T1189-A1191 VanDerWaalsContact O-N 3.09Å; T1189-H1192 PolarHBondContact N-ND1 2.99Å; T1189-H1192 WeakPolarHBondContact O-CB 3.3Å; T1189-H1192 PolarHBondContact O-N 3.01Å; T1189-H1192 PolarHBondContact OG1-CE1 2.95Å; T1189-H1192 PolarHBondContact OG1-ND1 3.5Å; T1189-F1193 WeakPolarHBondContact O-CD2 3.22Å; T1189-F1193 PolarHBondContact O-N 3.03Å | ||
| 1190 | A | 91.9 | Very high | 73.4 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -41.8 | -42.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F958 L1060 T1061 W1064 H1192 F1193 A1194 | F958-A1190 HydrophobicContact CE1-CB 3.97Å; F958-A1190 HydrophobicContact CZ-CB 4.25Å; L1060-A1190 HydrophobicContact CD2-CB 3.94Å; L1060-A1190 HydrophobicContact CG-CB 3.69Å; T1061-A1190 PolarHBondContact OG1-N 3.09Å; T1061-A1190 VanDerWaalsContact OG1-N 3.15Å; W1064-A1190 HydrophobicContact CG-CB 4.4Å; A1190-H1192 PolarHBondContact O-N 3.35Å; A1190-F1193 PolarHBondContact O-N 3.2Å; A1190-A1194 WeakPolarHBondContact O-CB 3.43Å; A1190-A1194 PolarHBondContact O-N 3.46Å |
| 1191 | A | 90.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y947 V948 F958 T1189 A1194 R1195 | Y947-A1191 HydrophobicContact CD1-CB 4.18Å; V948-A1191 WeakPolarHBondContact O-CB 3.39Å; F958-A1191 HydrophobicContact CZ-CB 4.41Å; T1189-A1191 PolarHBondContact O-N 3.12Å; T1189-A1191 VanDerWaalsContact O-N 3.09Å; A1191-A1194 PolarHBondContact O-N 3.36Å; A1191-R1195 WeakPolarHBondContact O-CB 3.48Å; A1191-R1195 PolarHBondContact O-N 3.22Å |
| 1192 | H | 87.9 | Confident | 77.4 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 178.5 | -59.7 | 76.7 | 0 | 0 | 0 | 111 | Y947 W1185 T1189 A1190 R1195 V1196 L1229 | Y947-H1192 AromaticContact CG-NE2 3.86Å; W1185-H1192 AromaticContact CD2-CD2 3.59Å; W1185-H1192 AromaticContact CD2-NE2 3.9Å; W1185-H1192 AromaticContact CE2-CD2 3.77Å; W1185-H1192 AromaticContact CE3-CD2 3.48Å; W1185-H1192 VanDerWaalsContact CE3-CD2 3.48Å; W1185-H1192 AromaticContact CE3-NE2 3.27Å; W1185-H1192 VanDerWaalsContact CE3-NE2 3.27Å; W1185-H1192 AromaticContact CH2-CD2 3.68Å; W1185-H1192 AromaticContact CH2-NE2 3.77Å; W1185-H1192 AromaticContact CZ2-CD2 3.82Å; W1185-H1192 AromaticContact CZ3-CD2 3.53Å; W1185-H1192 AromaticContact CZ3-NE2 3.2Å; W1185-H1192 WeakPolarHBondContact CZ3-NE2 3.19Å; T1189-H1192 PolarHBondContact N-ND1 2.99Å; T1189-H1192 WeakPolarHBondContact O-CB 3.3Å; T1189-H1192 PolarHBondContact O-N 3.01Å; T1189-H1192 PolarHBondContact OG1-CE1 2.95Å; T1189-H1192 PolarHBondContact OG1-ND1 3.5Å; A1190-H1192 PolarHBondContact O-N 3.35Å; H1192-R1195 PolarHBondContact O-N 3.12Å; H1192-V1196 PolarHBondContact O-N 3.37Å; H1192-L1229 HydrophobicContact CB-CD1 4.19Å; H1192-L1229 HydrophobicContact CB-CD2 4.11Å; H1192-L1229 WeakPolarHBondContact O-CD2 3.29Å |
| 1193 | F | 92 | Very high | 79 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 175.6 | -71.6 | -71.6 | 0 | 0 | 0 | 112.1 | T1061 W1064 A1065 C1068 P1188 T1189 A1190 R1195 V1196 A1197 L1228 L1229 | T1061-F1193 HydrophobicContact CG2-CD2 4.37Å; T1061-F1193 HydrophobicContact CG2-CE2 4.25Å; W1064-F1193 HydrophobicContact CB-CB 3.78Å; A1065-F1193 HydrophobicContact CB-CD1 3.85Å; A1065-F1193 HydrophobicContact CB-CD2 3.96Å; A1065-F1193 HydrophobicContact CB-CE1 3.68Å; A1065-F1193 HydrophobicContact CB-CE2 3.8Å; A1065-F1193 HydrophobicContact CB-CG 3.99Å; A1065-F1193 HydrophobicContact CB-CZ 3.66Å; C1068-F1193 PolarHBondContact SG-O 2.8Å; C1068-F1193 VanDerWaalsContact SG-O 3.35Å; P1188-F1193 HydrophobicContact CB-CE2 3.94Å; P1188-F1193 HydrophobicContact CB-CZ 4.25Å; P1188-F1193 HydrophobicContact CG-CE2 4.28Å; P1188-F1193 HydrophobicContact CG-CZ 4.36Å; T1189-F1193 WeakPolarHBondContact O-CD2 3.22Å; T1189-F1193 PolarHBondContact O-N 3.03Å; A1190-F1193 PolarHBondContact O-N 3.2Å; F1193-R1195 VanDerWaalsContact C-N 3.34Å; F1193-R1195 PolarHBondContact O-N 3.04Å; F1193-V1196 VanDerWaalsContact O-CG2 3.25Å; F1193-V1196 WeakPolarHBondContact O-CG2 3.3Å; F1193-V1196 PolarHBondContact O-N 3.37Å; F1193-A1197 PolarHBondContact O-N 3.41Å; F1193-L1228 HydrophobicContact CD1-CD1 4.2Å; F1193-L1228 HydrophobicContact CE1-CB 4.2Å; F1193-L1228 HydrophobicContact CE1-CD1 3.93Å; F1193-L1229 HydrophobicContact CD1-CD1 4.2Å; F1193-L1229 HydrophobicContact CD1-CD2 4.01Å; F1193-L1229 HydrophobicContact CD1-CG 4.1Å; F1193-L1229 HydrophobicContact CD2-CD1 4.48Å; F1193-L1229 HydrophobicContact CE1-CD1 3.76Å; F1193-L1229 HydrophobicContact CE1-CD2 4.27Å; F1193-L1229 HydrophobicContact CE1-CG 3.82Å; F1193-L1229 HydrophobicContact CE2-CD1 4.06Å; F1193-L1229 HydrophobicContact CG-CD2 4.43Å; F1193-L1229 HydrophobicContact CZ-CD1 3.68Å; F1193-L1229 HydrophobicContact CZ-CG 4.27Å |
| 1194 | A | 93.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F958 W1064 R1091 A1092 A1190 A1191 V1196 A1197 P1198 | F958-A1194 HydrophobicContact CE2-CB 3.53Å; F958-A1194 HydrophobicContact CZ-CB 3.71Å; W1064-A1194 HydrophobicContact CD2-CB 3.86Å; W1064-A1194 HydrophobicContact CE3-CB 3.81Å; W1064-A1194 HydrophobicContact CH2-CB 3.94Å; W1064-A1194 HydrophobicContact CZ2-CB 3.98Å; W1064-A1194 HydrophobicContact CZ3-CB 3.84Å; R1091-A1194 HydrophobicContact CB-CB 4.49Å; A1092-A1194 WeakPolarHBondContact CB-O 3.17Å; A1190-A1194 WeakPolarHBondContact O-CB 3.43Å; A1190-A1194 PolarHBondContact O-N 3.46Å; A1191-A1194 PolarHBondContact O-N 3.36Å; A1194-V1196 VanDerWaalsContact C-N 3.3Å; A1194-V1196 PolarHBondContact O-N 3.32Å; A1194-A1197 PolarHBondContact O-N 2.96Å; A1194-P1198 WeakPolarHBondContact O-CD 3.5Å |
| 1195 | R | 87.7 | Confident | 83 | Confident | 17 Ų | 17 | 29.2 Ų | 29.2 | 6% | 0.064 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -36 | 177.7 | -166.8 | 66.8 | 179.1 | 146.5 | 5.5 | 113 | Y947 A1092 D1093 S1095 M1178 A1191 H1192 F1193 | Y947-R1195 HydrophobicContact CE1-CB 3.99Å; Y947-R1195 HydrophobicContact CE1-CG 4.06Å; A1092-R1195 WeakPolarHBondContact O-CD 3.48Å; A1092-R1195 PolarHBondContact O-NH1 2.93Å; D1093-R1195 IonicContact OD1-NH1 2.67Å; D1093-R1195 PolarHBondContact OD1-NH1 2.9Å; S1095-R1195 WeakPolarHBondContact OG-CD 3.48Å; M1178-R1195 WeakPolarHBondContact CE-O 3.35Å; A1191-R1195 WeakPolarHBondContact O-CB 3.48Å; A1191-R1195 PolarHBondContact O-N 3.22Å; H1192-R1195 PolarHBondContact O-N 3.12Å; F1193-R1195 VanDerWaalsContact C-N 3.34Å; F1193-R1195 PolarHBondContact O-N 3.04Å |
| 1196 | V | 85.3 | Confident | 83.5 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -87.8 | -13.9 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | I1180 H1192 F1193 A1194 R1199 W1200 L1229 | I1180-V1196 HydrophobicContact CD1-CG1 3.92Å; I1180-V1196 HydrophobicContact CG1-CG1 4.37Å; H1192-V1196 PolarHBondContact O-N 3.37Å; F1193-V1196 VanDerWaalsContact O-CG2 3.25Å; F1193-V1196 WeakPolarHBondContact O-CG2 3.3Å; F1193-V1196 PolarHBondContact O-N 3.37Å; A1194-V1196 VanDerWaalsContact C-N 3.3Å; A1194-V1196 PolarHBondContact O-N 3.32Å; V1196-R1199 WeakPolarHBondContact O-CB 3.46Å; V1196-R1199 PolarHBondContact O-N 3.08Å; V1196-R1199 VanDerWaalsContact O-N 3.16Å; V1196-W1200 PolarHBondContact O-N 2.71Å; V1196-W1200 VanDerWaalsContact O-N 3.12Å; V1196-L1229 HydrophobicContact CB-CD2 4.47Å; V1196-L1229 HydrophobicContact CG1-CD2 3.93Å; V1196-L1229 HydrophobicContact CG2-CD2 3.66Å |
| 1197 | A | 92.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1064 L1067 L1071 L1088 F1193 A1194 R1199 W1200 F1201 | W1064-A1197 HydrophobicContact CE3-CB 4.49Å; W1064-A1197 HydrophobicContact CZ3-CB 4.07Å; L1067-A1197 HydrophobicContact CD2-CB 4.35Å; L1071-A1197 HydrophobicContact CD1-CB 4.46Å; L1088-A1197 HydrophobicContact CB-CB 4.48Å; L1088-A1197 HydrophobicContact CD1-CB 4.4Å; L1088-A1197 HydrophobicContact CD2-CB 3.92Å; L1088-A1197 HydrophobicContact CG-CB 4.48Å; F1193-A1197 PolarHBondContact O-N 3.41Å; A1194-A1197 PolarHBondContact O-N 2.96Å; A1197-R1199 VanDerWaalsContact C-N 3.32Å; A1197-R1199 PolarHBondContact O-N 3.42Å; A1197-W1200 PolarHBondContact O-N 3.45Å; A1197-F1201 WeakPolarHBondContact O-CB 3.46Å; A1197-F1201 PolarHBondContact O-N 3.16Å |
| 1198 | P | 89 | Confident | 84.9 | Confident | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 174.4 | -25.7 | 35.2 | 0 | 0 | 0 | 113.6 | Y1085 L1088 A1092 A1194 F1201 V1202 | Y1085-P1198 HydrophobicContact CE2-CB 4.03Å; L1088-P1198 HydrophobicContact CB-CG 4.17Å; A1092-P1198 HydrophobicContact CB-CG 3.57Å; A1194-P1198 WeakPolarHBondContact O-CD 3.5Å; P1198-F1201 WeakPolarHBondContact O-CB 3.28Å; P1198-F1201 PolarHBondContact O-N 2.83Å; P1198-V1202 WeakPolarHBondContact O-CG2 3.13Å; P1198-V1202 PolarHBondContact O-N 3.36Å |
| 1199 | R | 81.8 | Confident | 85.1 | Confident | 32 Ų | 32 | 18.1 Ų | 18.1 | 12% | 0.121 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 175.4 | 175 | -170.1 | 178.5 | 179.7 | 8.1 | 111.1 | V1196 A1197 F1201 V1202 R1203 C1232 S1236 E1240 | V1196-R1199 WeakPolarHBondContact O-CB 3.46Å; V1196-R1199 PolarHBondContact O-N 3.08Å; V1196-R1199 VanDerWaalsContact O-N 3.16Å; A1197-R1199 VanDerWaalsContact C-N 3.32Å; A1197-R1199 PolarHBondContact O-N 3.42Å; R1199-F1201 VanDerWaalsContact C-N 3.26Å; R1199-F1201 PolarHBondContact O-N 2.73Å; R1199-V1202 PolarHBondContact O-N 2.83Å; R1199-R1203 WeakPolarHBondContact O-CB 3.46Å; R1199-R1203 PolarHBondContact O-N 2.82Å; R1199-C1232 PolarHBondContact NH2-SG 3.49Å; R1199-S1236 PolarHBondContact NH2-OG 3.3Å; R1199-E1240 IonicContact CZ-OE1 3.92Å; R1199-E1240 IonicContact CZ-OE2 2.61Å; R1199-E1240 VanDerWaalsContact CZ-OE2 3.26Å; R1199-E1240 IonicContact NE-OE1 3.38Å; R1199-E1240 IonicContact NE-OE2 2.81Å; R1199-E1240 IonicContact NH1-OE1 3.61Å; R1199-E1240 PolarHBondContact NH1-OE1 3.08Å; R1199-E1240 IonicContact NH1-OE2 3.73Å; R1199-E1240 IonicContact NH2-OE1 3.01Å; R1199-E1240 PolarHBondContact NH2-OE1 3.01Å; R1199-E1240 IonicContact NH2-OE2 3.76Å; R1199-E1240 PolarHBondContact NH2-OE2 3.32Å |
| 1200 | W | 86.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -35.4 | 175.9 | -79.2 | 109.7 | 0 | 0 | 0 | 112.1 | L1071 Y1072 V1196 A1197 R1203 S1204 F1227 L1228 | L1071-W1200 HydrophobicContact CB-CB 3.91Å; L1071-W1200 HydrophobicContact CD1-CB 4.17Å; Y1072-W1200 HydrophobicContact CD2-CE3 4.25Å; Y1072-W1200 AromaticContact CD2-CH2 3.7Å; Y1072-W1200 HydrophobicContact CD2-CH2 3.7Å; Y1072-W1200 AromaticContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CD2-CZ3 3.4Å; Y1072-W1200 VanDerWaalsContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CE2-CH2 4.23Å; Y1072-W1200 HydrophobicContact CE2-CZ3 4.17Å; Y1072-W1200 HydrophobicContact CG-CZ3 4.26Å; V1196-W1200 PolarHBondContact O-N 2.71Å; V1196-W1200 VanDerWaalsContact O-N 3.12Å; A1197-W1200 PolarHBondContact O-N 3.45Å; W1200-R1203 VanDerWaalsContact CZ3-CD 3.44Å; W1200-R1203 PolarHBondContact O-N 2.81Å; W1200-S1204 WeakPolarHBondContact O-CB 3.48Å; W1200-S1204 PolarHBondContact O-N 2.99Å; W1200-F1227 AromaticContact CH2-CD1 3.83Å; W1200-F1227 HydrophobicContact CH2-CD1 3.83Å; W1200-F1227 AromaticContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CZ2-CD1 4.19Å; W1200-F1227 HydrophobicContact CZ2-CE1 4.36Å; W1200-L1228 HydrophobicContact CD2-CD2 3.99Å; W1200-L1228 HydrophobicContact CG-CD2 4.31Å; W1200-L1228 HydrophobicContact CZ2-CD2 4.03Å; W1200-L1228 PolarHBondContact NE1-O 3.18Å |
| 1201 | F | 91.2 | Very high | 83.3 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -50.1 | 171.7 | 171 | -80.4 | 0 | 0 | 0 | 112.6 | L1071 P1076 R1081 L1084 Y1085 L1088 A1197 P1198 R1199 R1203 S1204 L1205 | L1071-F1201 HydrophobicContact CD1-CB 4.08Å; L1071-F1201 HydrophobicContact CD2-CB 4.13Å; L1071-F1201 HydrophobicContact CD2-CD2 4.21Å; P1076-F1201 HydrophobicContact CG-CD2 4.38Å; P1076-F1201 HydrophobicContact CG-CE2 3.77Å; R1081-F1201 HydrophobicContact CG-CE1 4.47Å; R1081-F1201 HydrophobicContact CG-CE2 4.39Å; R1081-F1201 HydrophobicContact CG-CZ 3.63Å; R1081-F1201 VanDerWaalsContact O-CE2 3.3Å; R1081-F1201 WeakPolarHBondContact O-CE2 3.16Å; R1081-F1201 WeakPolarHBondContact O-CZ 3.33Å; L1084-F1201 HydrophobicContact CB-CE2 4.15Å; L1084-F1201 HydrophobicContact CD2-CD2 4.11Å; L1084-F1201 HydrophobicContact CD2-CE2 4.19Å; L1084-F1201 HydrophobicContact CG-CD2 4.22Å; L1084-F1201 HydrophobicContact CG-CE2 4.2Å; Y1085-F1201 AromaticContact CD2-CD1 3.41Å; Y1085-F1201 HydrophobicContact CD2-CD1 3.41Å; Y1085-F1201 VanDerWaalsContact CD2-CD1 3.41Å; Y1085-F1201 AromaticContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CE1 3.45Å; Y1085-F1201 VanDerWaalsContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CG 4.17Å; Y1085-F1201 HydrophobicContact CD2-CZ 4.21Å; Y1085-F1201 HydrophobicContact CE2-CD1 4.12Å; Y1085-F1201 HydrophobicContact CE2-CE1 4.37Å; Y1085-F1201 HydrophobicContact CG-CD1 4.22Å; Y1085-F1201 AromaticContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CZ 4.25Å; L1088-F1201 HydrophobicContact CD1-CB 3.87Å; L1088-F1201 HydrophobicContact CD1-CD2 3.99Å; L1088-F1201 HydrophobicContact CD1-CG 4.22Å; A1197-F1201 WeakPolarHBondContact O-CB 3.46Å; A1197-F1201 PolarHBondContact O-N 3.16Å; P1198-F1201 WeakPolarHBondContact O-CB 3.28Å; P1198-F1201 PolarHBondContact O-N 2.83Å; R1199-F1201 VanDerWaalsContact C-N 3.26Å; R1199-F1201 PolarHBondContact O-N 2.73Å; F1201-R1203 VanDerWaalsContact C-N 3.28Å; F1201-R1203 PolarHBondContact O-N 3.04Å; F1201-S1204 WeakPolarHBondContact O-CB 3.37Å; F1201-S1204 PolarHBondContact O-N 3.39Å; F1201-S1204 VanDerWaalsContact O-N 3.14Å; F1201-S1204 PolarHBondContact O-OG 3.06Å; F1201-L1205 HydrophobicContact CD1-CD1 3.9Å; F1201-L1205 HydrophobicContact CE1-CD1 3.38Å; F1201-L1205 HydrophobicContact CZ-CD1 3.83Å; F1201-L1205 PolarHBondContact O-N 3.25Å |
| 1202 | V | 79.6 | Confident | 81.9 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 24% | 0.242 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | Y1085 P1198 R1199 S1204 L1205 N1206 | Y1085-V1202 HydrophobicContact CE2-CG2 4.32Å; P1198-V1202 WeakPolarHBondContact O-CG2 3.13Å; P1198-V1202 PolarHBondContact O-N 3.36Å; R1199-V1202 PolarHBondContact O-N 2.83Å; V1202-S1204 PolarHBondContact O-N 2.86Å; V1202-L1205 PolarHBondContact O-N 2.88Å; V1202-N1206 PolarHBondContact O-N 3.08Å; V1202-N1206 VanDerWaalsContact O-N 3.1Å |
| 1203 | R | 79.8 | Confident | 80.6 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.5 | -160.3 | -168.4 | -167.1 | 128.4 | 10.8 | 112.7 | R1199 W1200 F1201 L1205 N1206 V1207 C1232 F1234 E1294 E1455 | R1199-R1203 WeakPolarHBondContact O-CB 3.46Å; R1199-R1203 PolarHBondContact O-N 2.82Å; W1200-R1203 VanDerWaalsContact CZ3-CD 3.44Å; W1200-R1203 PolarHBondContact O-N 2.81Å; F1201-R1203 VanDerWaalsContact C-N 3.28Å; F1201-R1203 PolarHBondContact O-N 3.04Å; R1203-L1205 PolarHBondContact O-N 3.37Å; R1203-N1206 PolarHBondContact O-N 3.31Å; R1203-N1206 VanDerWaalsContact O-N 3.17Å; R1203-V1207 HydrophobicContact CG-CG2 4.07Å; R1203-V1207 WeakPolarHBondContact O-CB 3.26Å; R1203-V1207 WeakPolarHBondContact O-CG2 3.37Å; R1203-V1207 PolarHBondContact O-N 3.02Å; R1203-C1232 PolarHBondContact NH1-SG 3.44Å; R1203-F1234 VanDerWaalsContact CZ-O 3.28Å; R1203-F1234 PolarHBondContact NH1-O 3.17Å; R1203-F1234 VanDerWaalsContact NH1-O 3.17Å; R1203-F1234 PolarHBondContact NH2-O 2.92Å; R1203-E1294 IonicContact NH2-OE1 2.71Å; R1203-E1455 IonicContact CZ-OE2 2.71Å; R1203-E1455 IonicContact NE-OE2 2.76Å; R1203-E1455 IonicContact NH2-OE2 2.62Å; R1203-E1455 PolarHBondContact NH2-OE2 3.32Å |
| 1204 | S | 85.1 | Confident | 79.7 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -33.5 | 177.2 | 82.6 | 0 | 0 | 0 | 0 | 112.1 | L1071 P1075 W1200 F1201 V1202 G1208 | L1071-S1204 WeakPolarHBondContact O-CB 3.37Å; P1075-S1204 WeakPolarHBondContact CA-OG 3.29Å; P1075-S1204 WeakPolarHBondContact CB-OG 3.48Å; P1075-S1204 WeakPolarHBondContact CD-O 3.49Å; P1075-S1204 WeakPolarHBondContact CG-O 3.2Å; W1200-S1204 WeakPolarHBondContact O-CB 3.48Å; W1200-S1204 PolarHBondContact O-N 2.99Å; F1201-S1204 WeakPolarHBondContact O-CB 3.37Å; F1201-S1204 PolarHBondContact O-N 3.39Å; F1201-S1204 VanDerWaalsContact O-N 3.14Å; F1201-S1204 PolarHBondContact O-OG 3.06Å; V1202-S1204 PolarHBondContact O-N 2.86Å; S1204-G1208 VanDerWaalsContact O-CA 3.25Å; S1204-G1208 WeakPolarHBondContact O-CA 3.41Å; S1204-G1208 PolarHBondContact O-N 2.87Å |
| 1205 | L | 81.3 | Confident | 79 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.8 | -38.3 | 177.6 | -65 | 165 | 0 | 0 | 0 | 112.1 | P1075 R1081 F1201 V1202 R1203 | P1075-L1205 HydrophobicContact CB-CD2 3.77Å; P1075-L1205 HydrophobicContact CB-CG 4.32Å; R1081-L1205 HydrophobicContact CG-CD1 4.26Å; R1081-L1205 HydrophobicContact CG-CD2 4.2Å; F1201-L1205 HydrophobicContact CD1-CD1 3.9Å; F1201-L1205 HydrophobicContact CE1-CD1 3.38Å; F1201-L1205 HydrophobicContact CZ-CD1 3.83Å; F1201-L1205 PolarHBondContact O-N 3.25Å; V1202-L1205 PolarHBondContact O-N 2.88Å; R1203-L1205 PolarHBondContact O-N 3.37Å |
| 1206 | N | 67.9 | Low | 78.8 | Confident | 52 Ų | 52 | 43 Ų | 43 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.7 | -36.7 | 178.1 | -66.4 | -19.1 | 0 | 0 | 0 | 112.9 | V1202 R1203 S1457 R1553 | V1202-N1206 PolarHBondContact O-N 3.08Å; V1202-N1206 VanDerWaalsContact O-N 3.1Å; R1203-N1206 PolarHBondContact O-N 3.31Å; R1203-N1206 VanDerWaalsContact O-N 3.17Å; N1206-S1457 PolarHBondContact ND2-O 3.37Å; N1206-S1457 VanDerWaalsContact ND2-O 3.12Å; N1206-R1553 PolarHBondContact ND2-NH1 3.13Å; N1206-R1553 VanDerWaalsContact ND2-NH1 3.16Å; N1206-R1553 PolarHBondContact ND2-NH2 2.82Å; N1206-R1553 PolarHBondContact OD1-NH1 2.98Å |
| 1207 | V | 70.7 | Confident | 78.8 | Confident | 53 Ų | 53 | 45.2 Ų | 45.2 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -86.3 | -30.8 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | R1203 R1210 E1455 | R1203-V1207 HydrophobicContact CG-CG2 4.07Å; R1203-V1207 WeakPolarHBondContact O-CB 3.26Å; R1203-V1207 WeakPolarHBondContact O-CG2 3.37Å; R1203-V1207 PolarHBondContact O-N 3.02Å; V1207-R1210 HydrophobicContact CG1-CG 4.25Å; V1207-E1455 HydrophobicContact CG2-CG 4.43Å |
| 1208 | G | 79.9 | Confident | 78.5 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | trans | 72.7 | -158.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1204 R1210 | S1204-G1208 VanDerWaalsContact O-CA 3.25Å; S1204-G1208 WeakPolarHBondContact O-CA 3.41Å; S1204-G1208 PolarHBondContact O-N 2.87Å; G1208-R1210 PolarHBondContact O-N 3.21Å | ||
| 1209 | V | 84.1 | Confident | 78 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | trans | -75.7 | 120.2 | 178.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | L1034 R1040 F1074 K1211 | L1034-V1209 HydrophobicContact CD2-CG1 3.6Å; R1040-V1209 VanDerWaalsContact NH1-CG2 3.31Å; F1074-V1209 HydrophobicContact CB-CG1 4.37Å; F1074-V1209 HydrophobicContact CB-CG2 4.27Å; V1209-K1211 PolarHBondContact O-N 2.88Å; V1209-K1211 VanDerWaalsContact O-N 3.16Å | ||
| 1210 | R | 79.8 | Confident | 78 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | trans | -66.3 | 112.5 | 169.2 | -64.2 | -169.6 | -171.8 | -111.7 | 7 | 109.2 | Y1072 Y1073 V1207 G1208 T1212 | Y1072-R1210 VanDerWaalsContact CE1-CZ 3.47Å; Y1072-R1210 VanDerWaalsContact CE1-NE 3.29Å; Y1072-R1210 VanDerWaalsContact CE2-NH2 3.25Å; Y1072-R1210 VanDerWaalsContact CZ-NH2 3.28Å; Y1072-R1210 WeakPolarHBondContact O-CD 3.41Å; Y1072-R1210 PolarHBondContact O-NE 2.88Å; Y1072-R1210 PolarHBondContact OH-NH1 3.33Å; Y1073-R1210 HydrophobicContact CD1-CB 4.21Å; Y1073-R1210 PolarHBondContact O-N 3Å; V1207-R1210 HydrophobicContact CG1-CG 4.25Å; G1208-R1210 PolarHBondContact O-N 3.21Å; R1210-T1212 PolarHBondContact O-N 3.1Å | ||
| 1211 | K | 62.2 | Low | 78 | Confident | 206 Ų | 206 | 56.3 Ų | 56.3 | 90% | 0.896 | 31% | 0.306 | S | S | * | . | trans | -79.2 | 79 | -179.5 | -69.8 | -174.1 | 177.5 | -177.8 | 0 | 111.4 | V1209 | V1209-K1211 PolarHBondContact O-N 2.88Å; V1209-K1211 VanDerWaalsContact O-N 3.16Å | ||
| 1212 | T | 62.5 | Low | 77.5 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | trans | -84.5 | 126.5 | 158.2 | 68.6 | 0 | 0 | 0 | 0 | 108.3 | L1034 R1210 I1214 | L1034-T1212 WeakPolarHBondContact CD1-OG1 3.36Å; R1210-T1212 PolarHBondContact O-N 3.1Å; T1212-I1214 WeakPolarHBondContact CB-O 3.48Å; T1212-I1214 PolarHBondContact O-N 2.63Å; T1212-I1214 PolarHBondContact OG1-O 3.23Å | ||
| 1213 | S | 59.7 | Low | 77.3 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 69% | 0.685 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -80.7 | -1 | 171.9 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1214 | I | 72.8 | Confident | 77.4 | Confident | 121 Ų | 121 | 60 Ų | 60 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -133.5 | 154.5 | -174.6 | -54.7 | 171.1 | 0 | 0 | 0 | 106.3 | T1212 | T1212-I1214 WeakPolarHBondContact CB-O 3.48Å; T1212-I1214 PolarHBondContact O-N 2.63Å; T1212-I1214 PolarHBondContact OG1-O 3.23Å |
| 1215 | S | 80.2 | Confident | 77.2 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.1 | 168.6 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1216 | P | 83.8 | Confident | 76.7 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 145.7 | 177.8 | 26.9 | -36.1 | 0 | 0 | 0 | 111.1 | S1027 I1030 Y1073 E1220 I1221 | S1027-P1216 WeakPolarHBondContact CB-O 3.32Å; S1027-P1216 PolarHBondContact OG-O 3.48Å; I1030-P1216 HydrophobicContact CB-CG 4.21Å; I1030-P1216 HydrophobicContact CG2-CG 3.84Å; Y1073-P1216 HydrophobicContact CE1-CB 4.04Å; Y1073-P1216 HydrophobicContact CE1-CG 4.41Å; Y1073-P1216 WeakPolarHBondContact OH-CB 3.19Å; P1216-E1220 WeakPolarHBondContact CA-OE2 3.43Å; P1216-E1220 HydrophobicContact CB-CB 4.49Å; P1216-E1220 WeakPolarHBondContact CB-OE2 3.3Å; P1216-I1221 HydrophobicContact CB-CD1 3.98Å; P1216-I1221 HydrophobicContact CB-CG1 4.41Å; P1216-I1221 HydrophobicContact CG-CD1 3.73Å; P1216-I1221 HydrophobicContact CG-CG1 4.32Å |
| 1217 | S | 85.2 | Confident | 77.1 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 163.6 | -173.9 | 95 | 0 | 0 | 0 | 0 | 112.3 | E1219 E1220 I1221 | S1217-E1219 WeakPolarHBondContact CB-OE2 3.48Å; S1217-E1219 PolarHBondContact O-N 2.98Å; S1217-E1219 PolarHBondContact OG-N 3.47Å; S1217-E1219 PolarHBondContact OG-OE2 2.98Å; S1217-E1220 PolarHBondContact N-OE2 3.12Å; S1217-E1220 WeakPolarHBondContact O-CB 3.49Å; S1217-E1220 PolarHBondContact O-N 3.12Å; S1217-E1220 PolarHBondContact OG-N 3.17Å; S1217-E1220 VanDerWaalsContact OG-N 3.08Å; S1217-I1221 WeakPolarHBondContact O-CG1 3.47Å; S1217-I1221 PolarHBondContact O-N 3.29Å |
| 1218 | I | 85.4 | Confident | 77.6 | Confident | 75 Ų | 75 | 59 Ų | 59 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 177.1 | -70 | 167.6 | 0 | 0 | 0 | 110.1 | P1023 D1024 I1221 C1222 | P1023-I1218 HydrophobicContact CB-CG2 3.88Å; D1024-I1218 WeakPolarHBondContact OD1-CD1 3.47Å; I1218-I1221 PolarHBondContact O-N 3.24Å; I1218-C1222 PolarHBondContact O-N 2.87Å; I1218-C1222 PolarHBondContact O-SG 3.37Å |
| 1219 | E | 78.7 | Confident | 77.4 | Confident | 130 Ų | 130 | 58.9 Ų | 58.9 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 177.4 | -51.9 | 70.4 | -152 | 0 | 0 | 111 | S1217 C1222 H1223 | S1217-E1219 WeakPolarHBondContact CB-OE2 3.48Å; S1217-E1219 PolarHBondContact O-N 2.98Å; S1217-E1219 PolarHBondContact OG-N 3.47Å; S1217-E1219 PolarHBondContact OG-OE2 2.98Å; E1219-C1222 PolarHBondContact O-N 2.5Å; E1219-H1223 VanDerWaalsContact O-CB 3.31Å; E1219-H1223 WeakPolarHBondContact O-CB 3.37Å; E1219-H1223 PolarHBondContact O-N 3.39Å |
| 1220 | E | 80.3 | Confident | 76.8 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 175.2 | -158 | -165 | 147.8 | 0 | 0 | 111.3 | Y1073 P1216 S1217 C1222 H1223 V1224 | Y1073-E1220 VanDerWaalsContact CE1-OE1 3.23Å; Y1073-E1220 WeakPolarHBondContact CE1-OE1 3.46Å; Y1073-E1220 WeakPolarHBondContact OH-CG 3.41Å; Y1073-E1220 PolarHBondContact OH-OE1 2.92Å; P1216-E1220 WeakPolarHBondContact CA-OE2 3.43Å; P1216-E1220 HydrophobicContact CB-CB 4.49Å; P1216-E1220 WeakPolarHBondContact CB-OE2 3.3Å; S1217-E1220 PolarHBondContact N-OE2 3.12Å; S1217-E1220 WeakPolarHBondContact O-CB 3.49Å; S1217-E1220 PolarHBondContact O-N 3.12Å; S1217-E1220 PolarHBondContact OG-N 3.17Å; S1217-E1220 VanDerWaalsContact OG-N 3.08Å; E1220-C1222 PolarHBondContact O-N 3.25Å; E1220-H1223 PolarHBondContact O-N 3.2Å; E1220-V1224 WeakPolarHBondContact O-CB 3.43Å; E1220-V1224 VanDerWaalsContact O-CG2 3.3Å; E1220-V1224 WeakPolarHBondContact O-CG2 3.11Å; E1220-V1224 PolarHBondContact O-N 3.41Å |
| 1221 | I | 86.9 | Confident | 76.1 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.7 | -65.3 | -54.3 | 0 | 0 | 0 | 111.7 | P1023 I1030 V1069 Y1073 P1216 S1217 I1218 K1225 | P1023-I1221 HydrophobicContact CB-CG2 4.22Å; I1030-I1221 HydrophobicContact CD1-CD1 3.36Å; V1069-I1221 HydrophobicContact CG1-CD1 4.34Å; Y1073-I1221 HydrophobicContact CE2-CD1 3.92Å; P1216-I1221 HydrophobicContact CB-CD1 3.98Å; P1216-I1221 HydrophobicContact CB-CG1 4.41Å; P1216-I1221 HydrophobicContact CG-CD1 3.73Å; P1216-I1221 HydrophobicContact CG-CG1 4.32Å; S1217-I1221 WeakPolarHBondContact O-CG1 3.47Å; S1217-I1221 PolarHBondContact O-N 3.29Å; I1218-I1221 PolarHBondContact O-N 3.24Å; I1221-K1225 VanDerWaalsContact O-CB 3.3Å; I1221-K1225 WeakPolarHBondContact O-CB 3.17Å; I1221-K1225 PolarHBondContact O-N 2.75Å |
| 1222 | C | 81.5 | Confident | 76.5 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 30% | 0.297 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 174.2 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | P1023 I1218 E1219 E1220 V1224 K1225 D1226 | P1023-C1222 VanDerWaalsContact CG-SG 3.59Å; I1218-C1222 PolarHBondContact O-N 2.87Å; I1218-C1222 PolarHBondContact O-SG 3.37Å; E1219-C1222 PolarHBondContact O-N 2.5Å; E1220-C1222 PolarHBondContact O-N 3.25Å; C1222-V1224 VanDerWaalsContact C-N 3.35Å; C1222-V1224 PolarHBondContact O-N 2.88Å; C1222-K1225 WeakPolarHBondContact O-CB 3.35Å; C1222-K1225 PolarHBondContact O-N 3.34Å; C1222-K1225 VanDerWaalsContact O-N 3.16Å; C1222-D1226 VanDerWaalsContact O-CG 3.31Å; C1222-D1226 PolarHBondContact O-N 3.22Å |
| 1223 | H | 74.9 | Confident | 77.4 | Confident | 85 Ų | 85 | 44.2 Ų | 44.2 | 39% | 0.394 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 179.1 | -176.9 | 36.8 | 0 | 0 | 0 | 112.2 | E1219 E1220 D1226 F1227 | E1219-H1223 VanDerWaalsContact O-CB 3.31Å; E1219-H1223 WeakPolarHBondContact O-CB 3.37Å; E1219-H1223 PolarHBondContact O-N 3.39Å; E1220-H1223 PolarHBondContact O-N 3.2Å; H1223-D1226 PolarHBondContact O-N 3.46Å; H1223-F1227 VanDerWaalsContact O-CB 3.23Å; H1223-F1227 WeakPolarHBondContact O-CB 3.38Å; H1223-F1227 PolarHBondContact O-N 3.03Å |
| 1224 | V | 82.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V1069 Y1072 Y1073 E1220 C1222 D1226 F1227 L1228 | V1069-V1224 HydrophobicContact CG1-CG1 3.98Å; V1069-V1224 HydrophobicContact CG2-CG1 4.34Å; Y1072-V1224 HydrophobicContact CD1-CB 4.48Å; Y1072-V1224 HydrophobicContact CD1-CG1 3.86Å; Y1072-V1224 HydrophobicContact CD1-CG2 3.69Å; Y1072-V1224 HydrophobicContact CD2-CG1 3.75Å; Y1072-V1224 HydrophobicContact CD2-CG2 4.18Å; Y1072-V1224 HydrophobicContact CE1-CG1 4.4Å; Y1072-V1224 HydrophobicContact CE1-CG2 3.42Å; Y1072-V1224 VanDerWaalsContact CE1-CG2 3.42Å; Y1072-V1224 HydrophobicContact CE2-CG1 4.33Å; Y1072-V1224 HydrophobicContact CE2-CG2 3.97Å; Y1072-V1224 HydrophobicContact CG-CB 4.49Å; Y1072-V1224 HydrophobicContact CG-CG1 3.52Å; Y1072-V1224 HydrophobicContact CG-CG2 4.08Å; Y1073-V1224 HydrophobicContact CE2-CG2 4.34Å; E1220-V1224 WeakPolarHBondContact O-CB 3.43Å; E1220-V1224 VanDerWaalsContact O-CG2 3.3Å; E1220-V1224 WeakPolarHBondContact O-CG2 3.11Å; E1220-V1224 PolarHBondContact O-N 3.41Å; C1222-V1224 VanDerWaalsContact C-N 3.35Å; C1222-V1224 PolarHBondContact O-N 2.88Å; V1224-D1226 VanDerWaalsContact C-N 3.3Å; V1224-D1226 PolarHBondContact O-N 3.05Å; V1224-F1227 CarbonylContact O-C 3.59Å; V1224-F1227 PolarHBondContact O-N 3.49Å; V1224-L1228 HydrophobicContact CG1-CD2 4.29Å; V1224-L1228 WeakPolarHBondContact O-CG 3.45Å; V1224-L1228 PolarHBondContact O-N 2.99Å |
| 1225 | K | 81.4 | Confident | 78.9 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.8 | -46.3 | 178.3 | -174.4 | -164.4 | -179 | 104.4 | 0 | 111.8 | W922 N1062 I1221 C1222 F1227 | W922-K1225 HydrophobicContact CD2-CD 3.85Å; W922-K1225 HydrophobicContact CE3-CD 3.39Å; W922-K1225 VanDerWaalsContact CG-CE 3.49Å; W922-K1225 HydrophobicContact CH2-CB 4.33Å; W922-K1225 HydrophobicContact CH2-CD 2.66Å; W922-K1225 HydrophobicContact CH2-CG 3.27Å; W922-K1225 HydrophobicContact CZ2-CD 3.21Å; W922-K1225 HydrophobicContact CZ2-CG 3.37Å; W922-K1225 HydrophobicContact CZ3-CD 2.76Å; W922-K1225 HydrophobicContact CZ3-CG 4.04Å; N1062-K1225 PolarHBondContact OD1-NZ 3.4Å; I1221-K1225 VanDerWaalsContact O-CB 3.3Å; I1221-K1225 WeakPolarHBondContact O-CB 3.17Å; I1221-K1225 PolarHBondContact O-N 2.75Å; C1222-K1225 WeakPolarHBondContact O-CB 3.35Å; C1222-K1225 PolarHBondContact O-N 3.34Å; C1222-K1225 VanDerWaalsContact O-N 3.16Å; K1225-F1227 VanDerWaalsContact C-N 3.33Å |
| 1226 | D | 71.4 | Confident | 78.9 | Confident | 100 Ų | 100 | 31.3 Ų | 31.3 | 54% | 0.535 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.9 | -29 | 179.5 | -63.2 | -18.1 | 0 | 0 | 0 | 112.6 | C1222 H1223 V1224 K1230 | C1222-D1226 VanDerWaalsContact O-CG 3.31Å; C1222-D1226 PolarHBondContact O-N 3.22Å; H1223-D1226 PolarHBondContact O-N 3.46Å; V1224-D1226 VanDerWaalsContact C-N 3.3Å; V1224-D1226 PolarHBondContact O-N 3.05Å; D1226-K1230 WeakPolarHBondContact O-CD 3.38Å; D1226-K1230 WeakPolarHBondContact O-CE 3.4Å; D1226-K1230 WeakPolarHBondContact O-CG 3.43Å |
| 1227 | F | 75.3 | Confident | 78.9 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80.8 | -23.9 | 178.9 | -175.6 | -121 | 0 | 0 | 0 | 113.9 | Y1072 W1200 H1223 V1224 K1225 L1229 K1230 C1232 E1294 | Y1072-F1227 HydrophobicContact CE2-CD1 4.19Å; Y1072-F1227 HydrophobicContact CE2-CE1 4.36Å; W1200-F1227 AromaticContact CH2-CD1 3.83Å; W1200-F1227 HydrophobicContact CH2-CD1 3.83Å; W1200-F1227 AromaticContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CZ2-CD1 4.19Å; W1200-F1227 HydrophobicContact CZ2-CE1 4.36Å; H1223-F1227 VanDerWaalsContact O-CB 3.23Å; H1223-F1227 WeakPolarHBondContact O-CB 3.38Å; H1223-F1227 PolarHBondContact O-N 3.03Å; V1224-F1227 CarbonylContact O-C 3.59Å; V1224-F1227 PolarHBondContact O-N 3.49Å; K1225-F1227 VanDerWaalsContact C-N 3.33Å; F1227-L1229 PolarHBondContact O-N 2.97Å; F1227-L1229 VanDerWaalsContact O-N 3.11Å; F1227-K1230 HydrophobicContact CD2-CB 4.28Å; F1227-K1230 PolarHBondContact O-N 3.35Å; F1227-C1232 HydrophobicContact CE1-CB 4.46Å; F1227-C1232 HydrophobicContact CE2-CB 3.7Å; F1227-C1232 HydrophobicContact CZ-CB 3.44Å; F1227-C1232 VanDerWaalsContact CZ-CB 3.44Å; F1227-E1294 HydrophobicContact CE2-CB 4.23Å; F1227-E1294 HydrophobicContact CZ-CG 4.42Å |
| 1228 | L | 80.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -35.1 | -175.2 | -75.1 | 179.5 | 0 | 0 | 0 | 114.9 | C1068 V1069 F1193 W1200 V1224 | C1068-L1228 HydrophobicContact CB-CD1 3.47Å; C1068-L1228 VanDerWaalsContact CB-CD1 3.47Å; C1068-L1228 HydrophobicContact CB-CD2 3.87Å; C1068-L1228 HydrophobicContact CB-CG 4.19Å; V1069-L1228 HydrophobicContact CG2-CD1 3.66Å; F1193-L1228 HydrophobicContact CD1-CD1 4.2Å; F1193-L1228 HydrophobicContact CE1-CB 4.2Å; F1193-L1228 HydrophobicContact CE1-CD1 3.93Å; W1200-L1228 HydrophobicContact CD2-CD2 3.99Å; W1200-L1228 HydrophobicContact CG-CD2 4.31Å; W1200-L1228 HydrophobicContact CZ2-CD2 4.03Å; W1200-L1228 PolarHBondContact NE1-O 3.18Å; V1224-L1228 HydrophobicContact CG1-CD2 4.29Å; V1224-L1228 WeakPolarHBondContact O-CG 3.45Å; V1224-L1228 PolarHBondContact O-N 2.99Å |
| 1229 | L | 77.2 | Confident | 79.2 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 2.7 | -178.6 | -61 | 176 | 0 | 0 | 0 | 113.1 | P1188 H1192 F1193 V1196 F1227 P1231 | P1188-L1229 HydrophobicContact CB-CD1 3.25Å; P1188-L1229 HydrophobicContact CG-CD1 4.13Å; H1192-L1229 HydrophobicContact CB-CD1 4.19Å; H1192-L1229 HydrophobicContact CB-CD2 4.11Å; H1192-L1229 WeakPolarHBondContact O-CD2 3.29Å; F1193-L1229 HydrophobicContact CD1-CD1 4.2Å; F1193-L1229 HydrophobicContact CD1-CD2 4.01Å; F1193-L1229 HydrophobicContact CD1-CG 4.1Å; F1193-L1229 HydrophobicContact CD2-CD1 4.48Å; F1193-L1229 HydrophobicContact CE1-CD1 3.76Å; F1193-L1229 HydrophobicContact CE1-CD2 4.27Å; F1193-L1229 HydrophobicContact CE1-CG 3.82Å; F1193-L1229 HydrophobicContact CE2-CD1 4.06Å; F1193-L1229 HydrophobicContact CG-CD2 4.43Å; F1193-L1229 HydrophobicContact CZ-CD1 3.68Å; F1193-L1229 HydrophobicContact CZ-CG 4.27Å; V1196-L1229 HydrophobicContact CB-CD2 4.47Å; V1196-L1229 HydrophobicContact CG1-CD2 3.93Å; V1196-L1229 HydrophobicContact CG2-CD2 3.66Å; F1227-L1229 PolarHBondContact O-N 2.97Å; F1227-L1229 VanDerWaalsContact O-N 3.11Å; L1229-P1231 WeakPolarHBondContact O-CD 3.25Å |
| 1230 | K | 70.7 | Confident | 79.2 | Confident | 47 Ų | 47 | 26.2 Ų | 26.2 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -93.3 | 110 | 174.5 | -71.4 | 175.1 | 179.7 | -89.5 | 0 | 108 | D1226 F1227 C1232 E1298 Y1397 | D1226-K1230 WeakPolarHBondContact O-CD 3.38Å; D1226-K1230 WeakPolarHBondContact O-CE 3.4Å; D1226-K1230 WeakPolarHBondContact O-CG 3.43Å; F1227-K1230 HydrophobicContact CD2-CB 4.28Å; F1227-K1230 PolarHBondContact O-N 3.35Å; K1230-C1232 PolarHBondContact O-N 3.19Å; K1230-E1298 HydrophobicContact CB-CG 4.46Å; K1230-E1298 VanDerWaalsContact CB-OE1 3.26Å; K1230-E1298 WeakPolarHBondContact CB-OE1 3.27Å; K1230-E1298 HydrophobicContact CD-CG 4.28Å; K1230-E1298 VanDerWaalsContact CD-OE2 3.29Å; K1230-E1298 WeakPolarHBondContact CD-OE2 3.34Å; K1230-E1298 WeakPolarHBondContact CE-OE2 3.38Å; K1230-E1298 WeakPolarHBondContact CG-OE1 3.3Å; K1230-E1298 WeakPolarHBondContact CG-OE2 3.17Å; K1230-E1298 IonicContact NZ-OE2 2.69Å; K1230-E1298 PolarHBondContact NZ-OE2 2.91Å; K1230-Y1397 PolarHBondContact NZ-OH 3.06Å |
| 1231 | P | 65.3 | Low | 79.3 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -59.7 | 132.1 | 170.2 | 29.1 | -36.6 | 0 | 0 | 0 | 110 | L1182 L1229 E1240 I1244 R1301 | L1182-P1231 HydrophobicContact CD2-CG 4.11Å; L1229-P1231 WeakPolarHBondContact O-CD 3.25Å; P1231-E1240 WeakPolarHBondContact CB-OE1 3.15Å; P1231-I1244 HydrophobicContact CB-CD1 3.48Å; P1231-I1244 VanDerWaalsContact CB-CD1 3.48Å; P1231-I1244 HydrophobicContact CG-CD1 3.56Å; P1231-I1244 HydrophobicContact CG-CG1 4.45Å; P1231-R1301 VanDerWaalsContact CD-CZ 3.49Å | ||
| 1232 | C | 71.6 | Confident | 79.2 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | trans | -104.3 | -178.4 | -167.8 | 48 | 0 | 0 | 0 | 0 | 111.6 | R1199 R1203 F1227 K1230 F1234 S1236 | R1199-C1232 PolarHBondContact NH2-SG 3.49Å; R1203-C1232 PolarHBondContact NH1-SG 3.44Å; F1227-C1232 HydrophobicContact CE1-CB 4.46Å; F1227-C1232 HydrophobicContact CE2-CB 3.7Å; F1227-C1232 HydrophobicContact CZ-CB 3.44Å; F1227-C1232 VanDerWaalsContact CZ-CB 3.44Å; K1230-C1232 PolarHBondContact O-N 3.19Å; C1232-F1234 PolarHBondContact SG-O 2.98Å; C1232-S1236 VanDerWaalsContact C-OG 3.29Å; C1232-S1236 PolarHBondContact O-OG 2.94Å; C1232-S1236 PolarHBondContact SG-OG 2.8Å | ||
| 1233 | V | 80.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -94.2 | -51.8 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | M1241 I1257 E1294 F1297 W1452 | V1233-M1241 HydrophobicContact CG1-SD 3.87Å; V1233-I1257 HydrophobicContact CB-CD1 4.36Å; V1233-I1257 HydrophobicContact CG1-CB 3.68Å; V1233-I1257 HydrophobicContact CG1-CD1 3.39Å; V1233-I1257 HydrophobicContact CG1-CG1 4.08Å; V1233-I1257 HydrophobicContact CG1-CG2 3.44Å; V1233-I1257 VanDerWaalsContact CG1-CG2 3.44Å; V1233-E1294 HydrophobicContact CB-CG 4.49Å; V1233-F1297 HydrophobicContact CG2-CB 3.18Å; V1233-F1297 HydrophobicContact CG2-CD1 3.63Å; V1233-F1297 HydrophobicContact CG2-CD2 3.63Å; V1233-F1297 HydrophobicContact CG2-CE1 4.36Å; V1233-F1297 HydrophobicContact CG2-CE2 4.39Å; V1233-F1297 HydrophobicContact CG2-CG 3.21Å; V1233-W1452 PolarHBondContact O-NE1 3.38Å |
| 1234 | F | 85.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 139.4 | 173.4 | -54.7 | -102.7 | 0 | 0 | 0 | 107.4 | R1203 C1232 S1236 I1257 R1290 L1293 E1294 L1448 L1451 W1452 E1455 | R1203-F1234 VanDerWaalsContact CZ-O 3.28Å; R1203-F1234 PolarHBondContact NH1-O 3.17Å; R1203-F1234 VanDerWaalsContact NH1-O 3.17Å; R1203-F1234 PolarHBondContact NH2-O 2.92Å; C1232-F1234 PolarHBondContact SG-O 2.98Å; F1234-S1236 VanDerWaalsContact C-N 3.32Å; F1234-S1236 PolarHBondContact O-N 3.48Å; F1234-I1257 HydrophobicContact CE1-CD1 4.39Å; F1234-I1257 HydrophobicContact CE2-CD1 3.89Å; F1234-I1257 HydrophobicContact CZ-CD1 3.71Å; F1234-R1290 HydrophobicContact CD1-CG 4.26Å; F1234-R1290 HydrophobicContact CD2-CG 3.75Å; F1234-R1290 HydrophobicContact CE1-CG 4.1Å; F1234-R1290 HydrophobicContact CE2-CB 4.18Å; F1234-R1290 HydrophobicContact CE2-CG 3.57Å; F1234-R1290 HydrophobicContact CG-CG 4.12Å; F1234-R1290 HydrophobicContact CZ-CB 4.08Å; F1234-R1290 HydrophobicContact CZ-CG 3.77Å; F1234-L1293 HydrophobicContact CE2-CB 4.27Å; F1234-L1293 HydrophobicContact CZ-CD1 4.32Å; F1234-E1294 HydrophobicContact CD2-CG 3.71Å; F1234-E1294 WeakPolarHBondContact CD2-OE1 3.36Å; F1234-E1294 HydrophobicContact CE2-CG 4.18Å; F1234-L1448 HydrophobicContact CZ-CD2 4.22Å; F1234-L1451 HydrophobicContact CD1-CB 4.46Å; F1234-L1451 HydrophobicContact CD1-CD2 3.96Å; F1234-L1451 HydrophobicContact CD1-CG 3.95Å; F1234-L1451 HydrophobicContact CE1-CB 4.26Å; F1234-L1451 HydrophobicContact CE1-CD2 3.84Å; F1234-L1451 HydrophobicContact CE1-CG 4.09Å; F1234-W1452 HydrophobicContact CD1-CB 3.86Å; F1234-W1452 HydrophobicContact CE1-CB 3.79Å; F1234-E1455 HydrophobicContact CB-CB 4.27Å |
| 1235 | G | 78.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 15.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117 | E1455 | G1235-E1455 VanDerWaalsContact CA-O 3.25Å; G1235-E1455 WeakPolarHBondContact CA-O 3.5Å |
| 1236 | S | 79.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -94.9 | 169 | 166.6 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | R1199 C1232 F1234 E1240 S1457 | R1199-S1236 PolarHBondContact NH2-OG 3.3Å; C1232-S1236 VanDerWaalsContact C-OG 3.29Å; C1232-S1236 PolarHBondContact O-OG 2.94Å; C1232-S1236 PolarHBondContact SG-OG 2.8Å; F1234-S1236 VanDerWaalsContact C-N 3.32Å; F1234-S1236 PolarHBondContact O-N 3.48Å; S1236-E1240 WeakPolarHBondContact CA-OE2 3.4Å; S1236-E1240 VanDerWaalsContact CB-OE2 3.27Å; S1236-E1240 WeakPolarHBondContact CB-OE2 3.5Å; S1236-S1457 PolarHBondContact O-N 3.21Å; S1236-S1457 PolarHBondContact O-OG 3.11Å |
| 1237 | S | 85 | Confident | 77.9 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 22% | 0.224 | 12% | 0.122 | C | C | . | . | trans | -73.6 | 163.9 | 160.9 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | D1239 E1240 M1241 S1457 | S1237-D1239 VanDerWaalsContact C-N 3.31Å; S1237-E1240 PolarHBondContact N-OE2 3.33Å; S1237-E1240 WeakPolarHBondContact OG-CB 3.37Å; S1237-E1240 PolarHBondContact OG-N 3Å; S1237-M1241 PolarHBondContact O-N 3.39Å; S1237-S1457 VanDerWaalsContact CA-OG 3.22Å; S1237-S1457 WeakPolarHBondContact CA-OG 3.5Å; S1237-S1457 WeakPolarHBondContact CB-OG 3.33Å; S1237-S1457 PolarHBondContact N-OG 3.4Å | ||
| 1238 | L | 89.9 | Confident | 77.3 | Confident | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.073 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 170.2 | -63.8 | 175.9 | 0 | 0 | 0 | 109.5 | E1240 M1241 M1242 P1255 W1452 L1456 L1460 L1512 P1513 | L1238-E1240 PolarHBondContact O-N 3.33Å; L1238-M1241 HydrophobicContact CD2-CE 4.14Å; L1238-M1241 WeakPolarHBondContact O-CB 3.48Å; L1238-M1241 PolarHBondContact O-N 2.87Å; L1238-M1241 VanDerWaalsContact O-N 3.14Å; L1238-M1242 VanDerWaalsContact O-CG 3.32Å; L1238-M1242 WeakPolarHBondContact O-CG 3.45Å; L1238-M1242 PolarHBondContact O-N 2.95Å; L1238-P1255 HydrophobicContact CD2-CG 3.85Å; L1238-W1452 HydrophobicContact CD2-CH2 4.02Å; L1238-W1452 HydrophobicContact CD2-CZ2 3.78Å; L1238-L1456 HydrophobicContact CD2-CD1 4.09Å; L1238-L1456 HydrophobicContact CD2-CD2 3.8Å; L1238-L1456 HydrophobicContact CG-CD2 4.46Å; L1238-L1460 HydrophobicContact CD1-CD1 3.96Å; L1238-L1512 HydrophobicContact CB-CD2 3.66Å; L1238-L1512 HydrophobicContact CB-CG 3.92Å; L1238-L1512 HydrophobicContact CD1-CG 4.35Å; L1238-P1513 HydrophobicContact CD1-CB 4.37Å; L1238-P1513 HydrophobicContact CD1-CG 4.09Å |
| 1239 | D | 85.9 | Confident | 76.8 | Confident | 85 Ų | 85 | 24.1 Ų | 24.1 | 46% | 0.455 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | -176.2 | -42.8 | -95 | 0 | 0 | 0 | 112.7 | S1237 M1241 M1242 Q1243 | S1237-D1239 VanDerWaalsContact C-N 3.31Å; D1239-M1241 VanDerWaalsContact C-N 3.35Å; D1239-M1241 PolarHBondContact O-N 3.49Å; D1239-M1242 PolarHBondContact O-N 3.48Å; D1239-Q1243 VanDerWaalsContact O-CG 3.26Å; D1239-Q1243 WeakPolarHBondContact O-CG 3.26Å; D1239-Q1243 PolarHBondContact O-N 3.36Å |
| 1240 | E | 79 | Confident | 76.6 | Confident | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.1 | 177.7 | -175.8 | -169.9 | 0 | 0 | 111.4 | R1199 P1231 S1236 S1237 L1238 Q1243 I1244 | R1199-E1240 IonicContact CZ-OE1 3.92Å; R1199-E1240 IonicContact CZ-OE2 2.61Å; R1199-E1240 VanDerWaalsContact CZ-OE2 3.26Å; R1199-E1240 IonicContact NE-OE1 3.38Å; R1199-E1240 IonicContact NE-OE2 2.81Å; R1199-E1240 IonicContact NH1-OE1 3.61Å; R1199-E1240 PolarHBondContact NH1-OE1 3.08Å; R1199-E1240 IonicContact NH1-OE2 3.73Å; R1199-E1240 IonicContact NH2-OE1 3.01Å; R1199-E1240 PolarHBondContact NH2-OE1 3.01Å; R1199-E1240 IonicContact NH2-OE2 3.76Å; R1199-E1240 PolarHBondContact NH2-OE2 3.32Å; P1231-E1240 WeakPolarHBondContact CB-OE1 3.15Å; S1236-E1240 WeakPolarHBondContact CA-OE2 3.4Å; S1236-E1240 VanDerWaalsContact CB-OE2 3.27Å; S1236-E1240 WeakPolarHBondContact CB-OE2 3.5Å; S1237-E1240 PolarHBondContact N-OE2 3.33Å; S1237-E1240 WeakPolarHBondContact OG-CB 3.37Å; S1237-E1240 PolarHBondContact OG-N 3Å; L1238-E1240 PolarHBondContact O-N 3.33Å; E1240-Q1243 PolarHBondContact O-N 3.21Å; E1240-I1244 HydrophobicContact CG-CD1 4Å; E1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; E1240-I1244 VanDerWaalsContact O-CG1 3.29Å; E1240-I1244 WeakPolarHBondContact O-CG1 3.34Å; E1240-I1244 PolarHBondContact O-N 3.48Å |
| 1241 | M | 82.9 | Confident | 77 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 178 | 171.2 | 163.1 | 41.4 | 0 | 0 | 112.4 | V1233 S1237 L1238 D1239 I1244 Q1245 P1255 I1257 F1297 W1452 L1456 | V1233-M1241 HydrophobicContact CG1-SD 3.87Å; S1237-M1241 PolarHBondContact O-N 3.39Å; L1238-M1241 HydrophobicContact CD2-CE 4.14Å; L1238-M1241 WeakPolarHBondContact O-CB 3.48Å; L1238-M1241 PolarHBondContact O-N 2.87Å; L1238-M1241 VanDerWaalsContact O-N 3.14Å; D1239-M1241 VanDerWaalsContact C-N 3.35Å; D1239-M1241 PolarHBondContact O-N 3.49Å; M1241-I1244 PolarHBondContact O-N 2.82Å; M1241-Q1245 WeakPolarHBondContact O-CG 3.46Å; M1241-Q1245 PolarHBondContact O-N 3Å; M1241-P1255 HydrophobicContact CE-CB 3.93Å; M1241-P1255 HydrophobicContact CE-CG 4.2Å; M1241-P1255 HydrophobicContact CG-CB 4.32Å; M1241-P1255 HydrophobicContact SD-CB 3.92Å; M1241-I1257 HydrophobicContact SD-CG2 3.91Å; M1241-F1297 HydrophobicContact CB-CZ 4.3Å; M1241-F1297 HydrophobicContact CG-CE2 3.99Å; M1241-F1297 HydrophobicContact CG-CZ 3.75Å; M1241-W1452 HydrophobicContact CE-CZ2 3.6Å; M1241-L1456 HydrophobicContact CE-CD2 4.29Å |
| 1242 | M | 84.7 | Confident | 77.8 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 15% | 0.148 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 171.5 | -65.3 | -47.5 | -65.9 | 0 | 0 | 111 | L1238 D1239 I1244 Q1245 A1246 L1252 P1255 L1512 | L1238-M1242 VanDerWaalsContact O-CG 3.32Å; L1238-M1242 WeakPolarHBondContact O-CG 3.45Å; L1238-M1242 PolarHBondContact O-N 2.95Å; D1239-M1242 PolarHBondContact O-N 3.48Å; M1242-I1244 VanDerWaalsContact C-N 3.3Å; M1242-I1244 PolarHBondContact O-N 2.98Å; M1242-Q1245 VanDerWaalsContact CE-NE2 3.3Å; M1242-Q1245 PolarHBondContact O-N 3.2Å; M1242-A1246 WeakPolarHBondContact O-CB 3.35Å; M1242-A1246 PolarHBondContact O-N 3Å; M1242-L1252 WeakPolarHBondContact CE-O 3.45Å; M1242-P1255 HydrophobicContact SD-CG 4.12Å; M1242-L1512 HydrophobicContact CB-CD2 4.47Å; M1242-L1512 HydrophobicContact CG-CD1 3.71Å; M1242-L1512 HydrophobicContact CG-CD2 3.53Å; M1242-L1512 HydrophobicContact CG-CG 4.28Å; M1242-L1512 HydrophobicContact SD-CD1 3.97Å |
| 1243 | Q | 78.6 | Confident | 78.5 | Confident | 92 Ų | 92 | 35 Ų | 35 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.4 | -39 | 177.3 | -73.1 | 169.4 | 15.4 | 0 | 0 | 112.6 | D1239 E1240 | D1239-Q1243 VanDerWaalsContact O-CG 3.26Å; D1239-Q1243 WeakPolarHBondContact O-CG 3.26Å; D1239-Q1243 PolarHBondContact O-N 3.36Å; E1240-Q1243 PolarHBondContact O-N 3.21Å |
| 1244 | I | 69.9 | Low | 78.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.7 | -47.3 | 179 | -67.7 | 158.6 | 0 | 0 | 0 | 111.8 | L1182 P1231 E1240 M1241 M1242 A1246 F1297 F1300 R1301 | L1182-I1244 HydrophobicContact CD1-CG1 3.89Å; L1182-I1244 HydrophobicContact CD2-CD1 4.27Å; L1182-I1244 HydrophobicContact CD2-CG1 3.74Å; P1231-I1244 HydrophobicContact CB-CD1 3.48Å; P1231-I1244 VanDerWaalsContact CB-CD1 3.48Å; P1231-I1244 HydrophobicContact CG-CD1 3.56Å; P1231-I1244 HydrophobicContact CG-CG1 4.45Å; E1240-I1244 HydrophobicContact CG-CD1 4Å; E1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; E1240-I1244 VanDerWaalsContact O-CG1 3.29Å; E1240-I1244 WeakPolarHBondContact O-CG1 3.34Å; E1240-I1244 PolarHBondContact O-N 3.48Å; M1241-I1244 PolarHBondContact O-N 2.82Å; M1242-I1244 VanDerWaalsContact C-N 3.3Å; M1242-I1244 PolarHBondContact O-N 2.98Å; I1244-A1246 VanDerWaalsContact C-N 3.3Å; I1244-A1246 PolarHBondContact O-N 3.18Å; I1244-F1297 HydrophobicContact CB-CE1 3.92Å; I1244-F1297 HydrophobicContact CB-CZ 3.88Å; I1244-F1297 HydrophobicContact CD1-CE1 4.01Å; I1244-F1297 HydrophobicContact CG2-CD1 4.2Å; I1244-F1297 HydrophobicContact CG2-CE1 3.4Å; I1244-F1297 VanDerWaalsContact CG2-CE1 3.4Å; I1244-F1297 HydrophobicContact CG2-CZ 3.62Å; I1244-F1300 HydrophobicContact CG2-CB 4.42Å; I1244-R1301 HydrophobicContact CG2-CG 3.67Å |
| 1245 | Q | 77.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.2 | -27.1 | -177.5 | 80.5 | -179.7 | 28.9 | 0 | 0 | 112.5 | M1241 M1242 Y1247 R1248 F1249 L1254 F1297 | M1241-Q1245 WeakPolarHBondContact O-CG 3.46Å; M1241-Q1245 PolarHBondContact O-N 3Å; M1242-Q1245 VanDerWaalsContact CE-NE2 3.3Å; M1242-Q1245 PolarHBondContact O-N 3.2Å; Q1245-Y1247 PolarHBondContact O-N 2.88Å; Q1245-Y1247 VanDerWaalsContact O-N 3.08Å; Q1245-R1248 PolarHBondContact O-N 3.01Å; Q1245-F1249 HydrophobicContact CB-CD2 4.43Å; Q1245-F1249 PolarHBondContact O-N 3.46Å; Q1245-L1254 PolarHBondContact NE2-O 3.06Å; Q1245-F1297 HydrophobicContact CB-CE2 4.34Å |
| 1246 | A | 72.6 | Confident | 79.5 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 36% | 0.355 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1242 I1244 R1248 P1250 | M1242-A1246 WeakPolarHBondContact O-CB 3.35Å; M1242-A1246 PolarHBondContact O-N 3Å; I1244-A1246 VanDerWaalsContact C-N 3.3Å; I1244-A1246 PolarHBondContact O-N 3.18Å; A1246-R1248 VanDerWaalsContact C-N 3.27Å; A1246-R1248 PolarHBondContact O-N 2.88Å; A1246-P1250 VanDerWaalsContact O-CA 3.24Å; A1246-P1250 WeakPolarHBondContact O-CA 3.05Å; A1246-P1250 WeakPolarHBondContact O-CB 3.42Å; A1246-P1250 WeakPolarHBondContact O-CD 3.25Å |
| 1247 | Y | 65.8 | Low | 79.9 | Confident | 92 Ų | 92 | 35.9 Ų | 35.9 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25.8 | 172.7 | 179.1 | -108.3 | 0 | 0 | 0 | 113.9 | Q1245 F1300 V1302 L1390 | Q1245-Y1247 PolarHBondContact O-N 2.88Å; Q1245-Y1247 VanDerWaalsContact O-N 3.08Å; Y1247-F1300 WeakPolarHBondContact CD1-O 3.35Å; Y1247-V1302 HydrophobicContact CE1-CB 4.3Å; Y1247-V1302 HydrophobicContact CE1-CG1 4.47Å; Y1247-V1302 WeakPolarHBondContact CE1-O 3.23Å; Y1247-V1302 PolarHBondContact OH-O 3.2Å; Y1247-L1390 HydrophobicContact CE1-CD2 3.51Å |
| 1248 | R | 62.5 | Low | 80.2 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -17.5 | -174.6 | -160.8 | 59.6 | 158.3 | 120.3 | 13.1 | 112.8 | Q1245 A1246 F1300 P1387 E1388 | Q1245-R1248 PolarHBondContact O-N 3.01Å; A1246-R1248 VanDerWaalsContact C-N 3.27Å; A1246-R1248 PolarHBondContact O-N 2.88Å; R1248-F1300 HydrophobicContact CB-CB 4.44Å; R1248-F1300 HydrophobicContact CB-CD1 4.4Å; R1248-F1300 HydrophobicContact CG-CD1 4.19Å; R1248-P1387 HydrophobicContact CG-CB 3.65Å; R1248-P1387 VanDerWaalsContact CZ-CB 3.48Å; R1248-P1387 PolarHBondContact NH1-O 3.3Å; R1248-P1387 WeakPolarHBondContact O-CA 3.44Å; R1248-E1388 VanDerWaalsContact NH1-C 3.28Å; R1248-E1388 PolarHBondContact NH1-O 2.64Å; R1248-E1388 PolarHBondContact O-N 3.46Å |
| 1249 | F | 71.3 | Confident | 80 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | trans | -144.6 | 62.8 | 178.8 | -50.9 | -71.1 | 0 | 0 | 0 | 111 | Q1245 H1251 L1252 W1256 F1300 I1385 P1387 | Q1245-F1249 HydrophobicContact CB-CD2 4.43Å; Q1245-F1249 PolarHBondContact O-N 3.46Å; F1249-H1251 PolarHBondContact O-N 2.92Å; F1249-H1251 VanDerWaalsContact O-N 3.16Å; F1249-L1252 HydrophobicContact CB-CB 4.19Å; F1249-L1252 HydrophobicContact CB-CD1 3.69Å; F1249-L1252 HydrophobicContact CB-CG 3.89Å; F1249-L1252 HydrophobicContact CD1-CD1 4.46Å; F1249-L1252 HydrophobicContact CD2-CD1 4.36Å; F1249-L1252 HydrophobicContact CG-CD1 3.95Å; F1249-L1252 PolarHBondContact O-N 3.27Å; F1249-L1252 VanDerWaalsContact O-N 3.13Å; F1249-W1256 AromaticContact CE2-CD1 3.99Å; F1249-W1256 HydrophobicContact CE2-CG 4.41Å; F1249-F1300 HydrophobicContact CE2-CD1 4.09Å; F1249-F1300 HydrophobicContact CE2-CD2 4.32Å; F1249-F1300 AromaticContact CE2-CE1 3.7Å; F1249-F1300 HydrophobicContact CE2-CE1 3.7Å; F1249-F1300 AromaticContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CG 4.42Å; F1249-F1300 AromaticContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CZ-CE1 4.13Å; F1249-F1300 HydrophobicContact CZ-CZ 4.22Å; F1249-I1385 HydrophobicContact CD1-CG2 3.46Å; F1249-I1385 VanDerWaalsContact CD1-CG2 3.46Å; F1249-I1385 HydrophobicContact CE1-CB 4.15Å; F1249-I1385 HydrophobicContact CE1-CG2 3.45Å; F1249-I1385 VanDerWaalsContact CE1-CG2 3.45Å; F1249-I1385 HydrophobicContact CZ-CG2 4.5Å; F1249-P1387 HydrophobicContact CD1-CB 4.31Å; F1249-P1387 HydrophobicContact CE1-CB 3.63Å; F1249-P1387 HydrophobicContact CZ-CB 4.03Å | ||
| 1250 | P | 73 | Confident | 79.9 | Confident | 58 Ų | 58 | 30.4 Ų | 30.4 | 38% | 0.377 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.8 | -174.7 | 23.2 | -33.7 | 0 | 0 | 0 | 113.9 | A1246 E1388 | A1246-P1250 VanDerWaalsContact O-CA 3.24Å; A1246-P1250 WeakPolarHBondContact O-CA 3.05Å; A1246-P1250 WeakPolarHBondContact O-CB 3.42Å; A1246-P1250 WeakPolarHBondContact O-CD 3.25Å; P1250-E1388 VanDerWaalsContact CG-OE2 3.32Å; P1250-E1388 WeakPolarHBondContact CG-OE2 3.3Å |
| 1251 | H | 78.5 | Confident | 80.5 | Confident | 117 Ų | 117 | 29.4 Ų | 29.4 | 54% | 0.542 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17.7 | -179.6 | -47.7 | -59.3 | 0 | 0 | 0 | 113.9 | F1249 R1253 G1379 D1380 | F1249-H1251 PolarHBondContact O-N 2.92Å; F1249-H1251 VanDerWaalsContact O-N 3.16Å; H1251-R1253 PolarHBondContact O-N 2.67Å; H1251-G1379 WeakPolarHBondContact O-CA 3.44Å; H1251-D1380 WeakPolarHBondContact CB-O 3.44Å |
| 1252 | L | 82.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | trans | -69.9 | 118 | -179.5 | -78.7 | -175.9 | 0 | 0 | 0 | 110.6 | M1242 F1249 W1256 I1259 T1378 F1381 | M1242-L1252 WeakPolarHBondContact CE-O 3.45Å; F1249-L1252 HydrophobicContact CB-CB 4.19Å; F1249-L1252 HydrophobicContact CB-CD1 3.69Å; F1249-L1252 HydrophobicContact CB-CG 3.89Å; F1249-L1252 HydrophobicContact CD1-CD1 4.46Å; F1249-L1252 HydrophobicContact CD2-CD1 4.36Å; F1249-L1252 HydrophobicContact CG-CD1 3.95Å; F1249-L1252 PolarHBondContact O-N 3.27Å; F1249-L1252 VanDerWaalsContact O-N 3.13Å; L1252-W1256 HydrophobicContact CD1-CB 4.36Å; L1252-I1259 HydrophobicContact CD1-CD1 4.26Å; L1252-I1259 HydrophobicContact CD2-CD1 3.63Å; L1252-T1378 CarbonylContact C-O 3.55Å; L1252-T1378 WeakPolarHBondContact CA-O 3.46Å; L1252-F1381 HydrophobicContact CD2-CB 4.27Å; L1252-F1381 HydrophobicContact CD2-CD2 3.96Å; L1252-F1381 HydrophobicContact CD2-CG 4.13Å | ||
| 1253 | R | 86.5 | Confident | 80.5 | Confident | 110 Ų | 110 | 28.9 Ų | 28.9 | 42% | 0.415 | 14% | 0.138 | S | C | . | . | trans | -88.4 | -1.5 | 174.3 | -57.3 | -171.6 | -170.8 | -157.1 | 7.7 | 113.5 | H1251 T1378 R1515 E1594 | H1251-R1253 PolarHBondContact O-N 2.67Å; R1253-T1378 PolarHBondContact N-O 3.1Å; R1253-R1515 WeakPolarHBondContact O-CD 3.48Å; R1253-E1594 IonicContact NH1-OE2 3.79Å; R1253-E1594 PolarHBondContact NH1-OE2 3.33Å | ||
| 1254 | L | 88.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -128.2 | 152.6 | 178.9 | -86.9 | 173.2 | 0 | 0 | 0 | 111.9 | Q1245 W1256 I1259 L1377 T1378 R1515 Y1519 | Q1245-L1254 PolarHBondContact NE2-O 3.06Å; L1254-W1256 PolarHBondContact O-N 3.32Å; L1254-I1259 HydrophobicContact CB-CD1 3.97Å; L1254-I1259 HydrophobicContact CB-CG1 4.13Å; L1254-L1377 HydrophobicContact CD1-CB 4.4Å; L1254-L1377 WeakPolarHBondContact CD1-O 3.44Å; L1254-L1377 WeakPolarHBondContact CG-O 3.32Å; L1254-T1378 HydrophobicContact CD1-CG2 4.15Å; L1254-R1515 HydrophobicContact CD1-CG 4.39Å; L1254-R1515 HydrophobicContact CD2-CB 4.35Å; L1254-R1515 HydrophobicContact CD2-CG 3.8Å; L1254-R1515 HydrophobicContact CG-CG 3.87Å; L1254-Y1519 HydrophobicContact CD1-CD1 3.94Å; L1254-Y1519 HydrophobicContact CD1-CD2 3.85Å; L1254-Y1519 HydrophobicContact CD1-CE2 4.48Å; L1254-Y1519 HydrophobicContact CD1-CG 3.55Å |
| 1255 | P | 89.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -57.9 | 127.1 | 174.9 | -23.7 | 33.3 | 0 | 0 | 0 | 112.6 | L1238 M1241 M1242 I1257 Q1258 I1259 W1452 | L1238-P1255 HydrophobicContact CD2-CG 3.85Å; M1241-P1255 HydrophobicContact CE-CB 3.93Å; M1241-P1255 HydrophobicContact CE-CG 4.2Å; M1241-P1255 HydrophobicContact CG-CB 4.32Å; M1241-P1255 HydrophobicContact SD-CB 3.92Å; M1242-P1255 HydrophobicContact SD-CG 4.12Å; P1255-I1257 HydrophobicContact CB-CG2 4.45Å; P1255-I1257 PolarHBondContact O-N 3.08Å; P1255-Q1258 HydrophobicContact CB-CB 4.23Å; P1255-Q1258 WeakPolarHBondContact O-CB 3.47Å; P1255-Q1258 PolarHBondContact O-N 3.44Å; P1255-I1259 PolarHBondContact O-N 3.44Å; P1255-W1452 HydrophobicContact CB-CH2 4.29Å; P1255-W1452 HydrophobicContact CB-CZ2 3.9Å; P1255-W1452 HydrophobicContact CG-CH2 4.13Å; P1255-W1452 HydrophobicContact CG-CZ2 3.98Å | ||
| 1256 | W | 86.1 | Confident | 82.2 | Confident | 21 Ų | 21 | 26 Ų | 26 | 8% | 0.08 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -52.9 | -40.6 | -179.6 | 165.5 | 84.7 | 0 | 0 | 0 | 112.5 | F1249 L1252 L1254 Q1258 I1259 F1260 L1293 L1296 F1297 F1300 | F1249-W1256 AromaticContact CE2-CD1 3.99Å; F1249-W1256 HydrophobicContact CE2-CG 4.41Å; L1252-W1256 HydrophobicContact CD1-CB 4.36Å; L1254-W1256 PolarHBondContact O-N 3.32Å; W1256-Q1258 VanDerWaalsContact C-N 3.31Å; W1256-Q1258 PolarHBondContact O-N 3.39Å; W1256-I1259 PolarHBondContact O-N 2.71Å; W1256-F1260 HydrophobicContact CH2-CB 4.46Å; W1256-F1260 HydrophobicContact CH2-CD1 4.2Å; W1256-F1260 HydrophobicContact CH2-CG 4.19Å; W1256-F1260 HydrophobicContact CZ2-CB 4.05Å; W1256-F1260 HydrophobicContact CZ2-CD1 4.33Å; W1256-F1260 HydrophobicContact CZ2-CD2 4.06Å; W1256-F1260 AromaticContact CZ2-CG 3.88Å; W1256-F1260 HydrophobicContact CZ2-CG 3.88Å; W1256-F1260 VanDerWaalsContact O-CB 3.27Å; W1256-F1260 WeakPolarHBondContact O-CB 3.2Å; W1256-F1260 PolarHBondContact O-N 3.17Å; W1256-L1293 HydrophobicContact CH2-CD2 4Å; W1256-L1293 HydrophobicContact CZ3-CD2 4.4Å; W1256-L1296 HydrophobicContact CH2-CD2 3.5Å; W1256-L1296 HydrophobicContact CZ2-CD2 3.8Å; W1256-L1296 HydrophobicContact CZ3-CD2 4.4Å; W1256-F1297 HydrophobicContact CE3-CD2 4.26Å; W1256-F1300 AromaticContact CD2-CE2 3.76Å; W1256-F1300 HydrophobicContact CD2-CE2 3.76Å; W1256-F1300 AromaticContact CD2-CZ 3.99Å; W1256-F1300 HydrophobicContact CD2-CZ 3.99Å; W1256-F1300 AromaticContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CZ 4.3Å; W1256-F1300 HydrophobicContact CG-CE2 4.07Å; W1256-F1300 HydrophobicContact CG-CZ 4.38Å; W1256-F1300 HydrophobicContact CZ2-CZ 4.43Å; W1256-F1300 HydrophobicContact CZ3-CE2 4.39Å |
| 1257 | I | 88.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -33.7 | 178.4 | -171.8 | 166.3 | 0 | 0 | 0 | 112.4 | V1233 F1234 M1241 P1255 L1261 L1293 W1452 | V1233-I1257 HydrophobicContact CB-CD1 4.36Å; V1233-I1257 HydrophobicContact CG1-CB 3.68Å; V1233-I1257 HydrophobicContact CG1-CD1 3.39Å; V1233-I1257 HydrophobicContact CG1-CG1 4.08Å; V1233-I1257 HydrophobicContact CG1-CG2 3.44Å; V1233-I1257 VanDerWaalsContact CG1-CG2 3.44Å; F1234-I1257 HydrophobicContact CE1-CD1 4.39Å; F1234-I1257 HydrophobicContact CE2-CD1 3.89Å; F1234-I1257 HydrophobicContact CZ-CD1 3.71Å; M1241-I1257 HydrophobicContact SD-CG2 3.91Å; P1255-I1257 HydrophobicContact CB-CG2 4.45Å; P1255-I1257 PolarHBondContact O-N 3.08Å; I1257-L1261 HydrophobicContact CD1-CD1 3.89Å; I1257-L1261 HydrophobicContact CG1-CD1 3.59Å; I1257-L1261 HydrophobicContact CG1-CG 3.85Å; I1257-L1261 VanDerWaalsContact O-CB 3.31Å; I1257-L1261 WeakPolarHBondContact O-CB 3.49Å; I1257-L1261 WeakPolarHBondContact O-CG 3.06Å; I1257-L1261 PolarHBondContact O-N 3.48Å; I1257-L1293 HydrophobicContact CD1-CD1 4.32Å; I1257-W1452 HydrophobicContact CD1-CG 4.48Å; I1257-W1452 HydrophobicContact CG2-CD2 4.02Å; I1257-W1452 HydrophobicContact CG2-CG 4.15Å; I1257-W1452 HydrophobicContact CG2-CZ2 4.11Å |
| 1258 | Q | 91.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.9 | -44.4 | 180 | -169.5 | -177.4 | 3 | 0 | 0 | 109.9 | P1255 W1256 T1262 L1449 W1452 S1516 Y1519 | P1255-Q1258 HydrophobicContact CB-CB 4.23Å; P1255-Q1258 WeakPolarHBondContact O-CB 3.47Å; P1255-Q1258 PolarHBondContact O-N 3.44Å; W1256-Q1258 VanDerWaalsContact C-N 3.31Å; W1256-Q1258 PolarHBondContact O-N 3.39Å; Q1258-T1262 WeakPolarHBondContact O-CB 3.26Å; Q1258-T1262 PolarHBondContact O-N 3.15Å; Q1258-T1262 PolarHBondContact O-OG1 3.31Å; Q1258-L1449 HydrophobicContact CG-CD1 4.31Å; Q1258-W1452 HydrophobicContact CB-CH2 3.75Å; Q1258-W1452 HydrophobicContact CB-CZ2 4.47Å; Q1258-W1452 HydrophobicContact CB-CZ3 3.78Å; Q1258-W1452 HydrophobicContact CG-CH2 4.03Å; Q1258-W1452 HydrophobicContact CG-CZ3 3.71Å; Q1258-S1516 PolarHBondContact NE2-O 3.14Å; Q1258-S1516 PolarHBondContact OE1-OG 3.36Å; Q1258-Y1519 HydrophobicContact CG-CD1 4.03Å; Q1258-Y1519 HydrophobicContact CG-CE1 4.31Å |
| 1259 | I | 85.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -58.1 | 172.5 | -59.8 | 174 | 0 | 0 | 0 | 109.1 | L1252 L1254 P1255 W1256 L1261 T1262 E1263 T1378 F1381 W1383 Y1519 | L1252-I1259 HydrophobicContact CD1-CD1 4.26Å; L1252-I1259 HydrophobicContact CD2-CD1 3.63Å; L1254-I1259 HydrophobicContact CB-CD1 3.97Å; L1254-I1259 HydrophobicContact CB-CG1 4.13Å; P1255-I1259 PolarHBondContact O-N 3.44Å; W1256-I1259 PolarHBondContact O-N 2.71Å; I1259-L1261 PolarHBondContact O-N 2.92Å; I1259-T1262 PolarHBondContact O-N 3.47Å; I1259-E1263 HydrophobicContact CG2-CG 4.39Å; I1259-E1263 WeakPolarHBondContact CG2-OE2 3.4Å; I1259-E1263 WeakPolarHBondContact O-CB 3.37Å; I1259-E1263 WeakPolarHBondContact O-CG 3.34Å; I1259-E1263 PolarHBondContact O-N 2.87Å; I1259-T1378 HydrophobicContact CD1-CG2 4.05Å; I1259-T1378 HydrophobicContact CG1-CG2 4.36Å; I1259-F1381 HydrophobicContact CG2-CE2 4.21Å; I1259-F1381 HydrophobicContact CG2-CZ 4.45Å; I1259-W1383 HydrophobicContact CG2-CZ2 4.34Å; I1259-Y1519 HydrophobicContact CG1-CE1 4.37Å |
| 1260 | F | 84.3 | Confident | 85.5 | Confident | 16 Ų | 16 | 25.4 Ų | 25.4 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.4 | -46.2 | -176.9 | 175.3 | -100.6 | 0 | 0 | 0 | 113.4 | W1256 E1263 E1264 L1293 I1413 | W1256-F1260 HydrophobicContact CH2-CB 4.46Å; W1256-F1260 HydrophobicContact CH2-CD1 4.2Å; W1256-F1260 HydrophobicContact CH2-CG 4.19Å; W1256-F1260 HydrophobicContact CZ2-CB 4.05Å; W1256-F1260 HydrophobicContact CZ2-CD1 4.33Å; W1256-F1260 HydrophobicContact CZ2-CD2 4.06Å; W1256-F1260 AromaticContact CZ2-CG 3.88Å; W1256-F1260 HydrophobicContact CZ2-CG 3.88Å; W1256-F1260 VanDerWaalsContact O-CB 3.27Å; W1256-F1260 WeakPolarHBondContact O-CB 3.2Å; W1256-F1260 PolarHBondContact O-N 3.17Å; F1260-E1263 PolarHBondContact O-N 3.3Å; F1260-E1264 HydrophobicContact CD1-CG 4.45Å; F1260-E1264 HydrophobicContact CD2-CG 4.35Å; F1260-E1264 HydrophobicContact CE1-CG 4.04Å; F1260-E1264 HydrophobicContact CE2-CG 3.94Å; F1260-E1264 HydrophobicContact CZ-CG 3.76Å; F1260-E1264 WeakPolarHBondContact O-CG 3.32Å; F1260-E1264 PolarHBondContact O-N 2.72Å; F1260-L1293 HydrophobicContact CD1-CD2 4.32Å; F1260-L1293 HydrophobicContact CE1-CD2 3.92Å; F1260-I1413 HydrophobicContact CE1-CD1 4.32Å; F1260-I1413 HydrophobicContact CZ-CD1 4.21Å |
| 1261 | L | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.9 | -40.3 | -178.7 | -68.7 | -179.9 | 0 | 0 | 0 | 113 | I1257 I1259 E1263 E1264 I1265 L1293 L1448 L1449 | I1257-L1261 HydrophobicContact CD1-CD1 3.89Å; I1257-L1261 HydrophobicContact CG1-CD1 3.59Å; I1257-L1261 HydrophobicContact CG1-CG 3.85Å; I1257-L1261 VanDerWaalsContact O-CB 3.31Å; I1257-L1261 WeakPolarHBondContact O-CB 3.49Å; I1257-L1261 WeakPolarHBondContact O-CG 3.06Å; I1257-L1261 PolarHBondContact O-N 3.48Å; I1259-L1261 PolarHBondContact O-N 2.92Å; L1261-E1263 PolarHBondContact O-N 2.92Å; L1261-E1264 PolarHBondContact O-N 2.85Å; L1261-I1265 VanDerWaalsContact O-CG1 3.27Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.22Å; L1261-I1265 PolarHBondContact O-N 3.39Å; L1261-L1293 HydrophobicContact CD2-CD1 4.43Å; L1261-L1448 HydrophobicContact CD1-CB 3.77Å; L1261-L1448 HydrophobicContact CD2-CB 4.05Å; L1261-L1448 HydrophobicContact CD2-CD1 4.26Å; L1261-L1449 HydrophobicContact CB-CB 4.18Å; L1261-L1449 HydrophobicContact CB-CD1 4.21Å; L1261-L1449 HydrophobicContact CD1-CB 4.15Å; L1261-L1449 HydrophobicContact CD1-CD1 4.44Å |
| 1262 | T | 88.9 | Confident | 86.8 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -53.8 | -41.8 | 170.2 | -75.3 | 0 | 0 | 0 | 0 | 110.7 | Q1258 I1259 L1266 Y1519 L1523 | Q1258-T1262 WeakPolarHBondContact O-CB 3.26Å; Q1258-T1262 PolarHBondContact O-N 3.15Å; Q1258-T1262 PolarHBondContact O-OG1 3.31Å; I1259-T1262 PolarHBondContact O-N 3.47Å; T1262-L1266 HydrophobicContact CG2-CD1 4.31Å; T1262-L1266 WeakPolarHBondContact O-CG 3.34Å; T1262-L1266 PolarHBondContact O-N 3.08Å; T1262-Y1519 HydrophobicContact CG2-CE1 3.89Å; T1262-L1523 HydrophobicContact CG2-CB 4.35Å; T1262-L1523 HydrophobicContact CG2-CD1 4.23Å; T1262-L1523 HydrophobicContact CG2-CD2 4.07Å; T1262-L1523 HydrophobicContact CG2-CG 4.44Å |
| 1263 | E | 79.7 | Confident | 87.4 | Confident | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -76.3 | -35.7 | -179.2 | -70.1 | 176.4 | 146.5 | 0 | 0 | 113.9 | I1259 F1260 L1261 I1265 L1266 R1267 R1331 W1337 W1383 | I1259-E1263 HydrophobicContact CG2-CG 4.39Å; I1259-E1263 WeakPolarHBondContact CG2-OE2 3.4Å; I1259-E1263 WeakPolarHBondContact O-CB 3.37Å; I1259-E1263 WeakPolarHBondContact O-CG 3.34Å; I1259-E1263 PolarHBondContact O-N 2.87Å; F1260-E1263 PolarHBondContact O-N 3.3Å; L1261-E1263 PolarHBondContact O-N 2.92Å; E1263-I1265 VanDerWaalsContact C-N 3.35Å; E1263-L1266 PolarHBondContact O-N 3.48Å; E1263-R1267 WeakPolarHBondContact O-CB 3.47Å; E1263-R1267 PolarHBondContact O-N 3.14Å; E1263-R1331 IonicContact OE2-CZ 2.7Å; E1263-R1331 IonicContact OE2-NH1 2.62Å; E1263-R1331 PolarHBondContact OE2-NH1 2.81Å; E1263-R1331 IonicContact OE2-NH2 2.67Å; E1263-W1337 HydrophobicContact CB-CH2 4.14Å; E1263-W1337 HydrophobicContact CB-CZ3 3.73Å; E1263-W1337 HydrophobicContact CG-CH2 3.99Å; E1263-W1337 HydrophobicContact CG-CZ3 3.72Å; E1263-W1383 WeakPolarHBondContact OE1-CZ2 3.41Å; E1263-W1383 PolarHBondContact OE1-NE1 2.94Å; E1263-W1383 WeakPolarHBondContact OE2-CH2 3.08Å; E1263-W1383 WeakPolarHBondContact OE2-CZ2 3.43Å |
| 1264 | E | 85 | Confident | 87.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 172.2 | -70.4 | -64.7 | 113.5 | 0 | 0 | 111.3 | F1260 L1261 L1266 R1267 L1268 R1331 L1410 A1445 | F1260-E1264 HydrophobicContact CD1-CG 4.45Å; F1260-E1264 HydrophobicContact CD2-CG 4.35Å; F1260-E1264 HydrophobicContact CE1-CG 4.04Å; F1260-E1264 HydrophobicContact CE2-CG 3.94Å; F1260-E1264 HydrophobicContact CZ-CG 3.76Å; F1260-E1264 WeakPolarHBondContact O-CG 3.32Å; F1260-E1264 PolarHBondContact O-N 2.72Å; L1261-E1264 PolarHBondContact O-N 2.85Å; E1264-L1266 PolarHBondContact O-N 3Å; E1264-R1267 VanDerWaalsContact CD-NE 3.31Å; E1264-R1267 IonicContact OE1-CZ 3.62Å; E1264-R1267 IonicContact OE1-NE 2.75Å; E1264-R1267 PolarHBondContact OE1-NE 3.37Å; E1264-R1267 IonicContact OE1-NH2 3.84Å; E1264-R1267 IonicContact OE2-CZ 2.65Å; E1264-R1267 VanDerWaalsContact OE2-CZ 3.31Å; E1264-R1267 IonicContact OE2-NE 3.01Å; E1264-R1267 PolarHBondContact OE2-NE 2.94Å; E1264-R1267 VanDerWaalsContact OE2-NE 3.1Å; E1264-R1267 IonicContact OE2-NH2 3.94Å; E1264-R1267 PolarHBondContact OE2-NH2 3.21Å; E1264-L1268 WeakPolarHBondContact O-CB 3.24Å; E1264-L1268 VanDerWaalsContact O-CD1 3.3Å; E1264-L1268 WeakPolarHBondContact O-CD1 3.37Å; E1264-L1268 WeakPolarHBondContact O-CG 3.36Å; E1264-L1268 PolarHBondContact O-N 3.16Å; E1264-R1331 IonicContact OE1-CZ 3.15Å; E1264-R1331 IonicContact OE1-NE 2.76Å; E1264-R1331 PolarHBondContact OE1-NE 2.97Å; E1264-R1331 IonicContact OE1-NH2 2.77Å; E1264-R1331 PolarHBondContact OE1-NH2 3.01Å; E1264-L1410 HydrophobicContact CB-CB 4.29Å; E1264-L1410 HydrophobicContact CG-CB 4.05Å; E1264-L1410 VanDerWaalsContact OE2-CB 3.3Å; E1264-L1410 WeakPolarHBondContact OE2-CB 3.45Å; E1264-L1410 PolarHBondContact OE2-N 3.13Å; E1264-A1445 HydrophobicContact CB-CB 4.24Å |
| 1265 | I | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.3 | -51 | 171.7 | -69 | 164.3 | 0 | 0 | 0 | 110.3 | L1261 E1263 L1268 N1269 G1270 I1276 F1277 A1445 A1446 L1449 L1523 | L1261-I1265 VanDerWaalsContact O-CG1 3.27Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.22Å; L1261-I1265 PolarHBondContact O-N 3.39Å; E1263-I1265 VanDerWaalsContact C-N 3.35Å; I1265-L1268 CarbonylContact O-C 3.11Å; I1265-L1268 PolarHBondContact O-N 3.37Å; I1265-N1269 PolarHBondContact O-N 2.94Å; I1265-G1270 WeakPolarHBondContact O-CA 3.43Å; I1265-G1270 PolarHBondContact O-N 3.13Å; I1265-I1276 HydrophobicContact CG2-CD1 4.38Å; I1265-I1276 HydrophobicContact CG2-CG1 4.37Å; I1265-F1277 HydrophobicContact CD1-CE1 4.1Å; I1265-F1277 HydrophobicContact CD1-CE2 4.45Å; I1265-F1277 HydrophobicContact CD1-CZ 3.66Å; I1265-A1445 HydrophobicContact CB-CB 4.47Å; I1265-A1445 HydrophobicContact CG1-CB 3.53Å; I1265-A1446 HydrophobicContact CD1-CB 4.23Å; I1265-A1446 HydrophobicContact CG1-CB 4.36Å; I1265-L1449 HydrophobicContact CD1-CB 4.4Å; I1265-L1449 HydrophobicContact CD1-CD2 3.77Å; I1265-L1523 HydrophobicContact CD1-CD2 4.33Å |
| 1266 | L | 85.5 | Confident | 88.3 | Confident | 34 Ų | 34 | 22.3 Ų | 22.3 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -75.7 | -38.1 | -175.2 | -65.1 | 171.6 | 0 | 0 | 0 | 112.5 | T1262 E1263 E1264 L1268 N1269 W1337 L1523 L1527 | T1262-L1266 HydrophobicContact CG2-CD1 4.31Å; T1262-L1266 WeakPolarHBondContact O-CG 3.34Å; T1262-L1266 PolarHBondContact O-N 3.08Å; E1263-L1266 PolarHBondContact O-N 3.48Å; E1264-L1266 PolarHBondContact O-N 3Å; L1266-L1268 PolarHBondContact O-N 2.91Å; L1266-N1269 WeakPolarHBondContact O-CA 3.35Å; L1266-N1269 PolarHBondContact O-N 2.87Å; L1266-W1337 HydrophobicContact CB-CH2 3.46Å; L1266-W1337 VanDerWaalsContact CB-CH2 3.46Å; L1266-W1337 HydrophobicContact CB-CZ2 3.34Å; L1266-W1337 HydrophobicContact CD1-CH2 3.83Å; L1266-W1337 HydrophobicContact CD1-CZ2 3.67Å; L1266-W1337 HydrophobicContact CG-CH2 4.26Å; L1266-W1337 HydrophobicContact CG-CZ2 4.13Å; L1266-L1523 HydrophobicContact CD1-CD1 3.87Å; L1266-L1523 HydrophobicContact CD2-CD1 3.94Å; L1266-L1523 HydrophobicContact CG-CD1 3.95Å; L1266-L1527 HydrophobicContact CD2-CD2 4.18Å |
| 1267 | R | 81 | Confident | 88.8 | Confident | 63 Ų | 63 | 21.3 Ų | 21.3 | 24% | 0.238 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.5 | -32.8 | 171.4 | -172.5 | -167 | 67.3 | 67.7 | -3.4 | 112.2 | E1263 E1264 N1269 P1334 S1411 | E1263-R1267 WeakPolarHBondContact O-CB 3.47Å; E1263-R1267 PolarHBondContact O-N 3.14Å; E1264-R1267 VanDerWaalsContact CD-NE 3.31Å; E1264-R1267 IonicContact OE1-CZ 3.62Å; E1264-R1267 IonicContact OE1-NE 2.75Å; E1264-R1267 PolarHBondContact OE1-NE 3.37Å; E1264-R1267 IonicContact OE1-NH2 3.84Å; E1264-R1267 IonicContact OE2-CZ 2.65Å; E1264-R1267 VanDerWaalsContact OE2-CZ 3.31Å; E1264-R1267 IonicContact OE2-NE 3.01Å; E1264-R1267 PolarHBondContact OE2-NE 2.94Å; E1264-R1267 VanDerWaalsContact OE2-NE 3.1Å; E1264-R1267 IonicContact OE2-NH2 3.94Å; E1264-R1267 PolarHBondContact OE2-NH2 3.21Å; R1267-N1269 PolarHBondContact O-N 3.07Å; R1267-P1334 HydrophobicContact CG-CG 4.2Å; R1267-S1411 PolarHBondContact NH2-OG 3.38Å |
| 1268 | L | 86.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 16.5 | 175.8 | -65.5 | 165.6 | 0 | 0 | 0 | 112.9 | E1264 I1265 L1266 G1270 L1410 E1441 | E1264-L1268 WeakPolarHBondContact O-CB 3.24Å; E1264-L1268 VanDerWaalsContact O-CD1 3.3Å; E1264-L1268 WeakPolarHBondContact O-CD1 3.37Å; E1264-L1268 WeakPolarHBondContact O-CG 3.36Å; E1264-L1268 PolarHBondContact O-N 3.16Å; I1265-L1268 CarbonylContact O-C 3.11Å; I1265-L1268 PolarHBondContact O-N 3.37Å; L1266-L1268 PolarHBondContact O-N 2.91Å; L1268-G1270 VanDerWaalsContact C-N 3.27Å; L1268-G1270 PolarHBondContact O-N 2.96Å; L1268-L1410 HydrophobicContact CD1-CD2 4.32Å; L1268-E1441 HydrophobicContact CD1-CB 3.59Å; L1268-E1441 HydrophobicContact CD2-CB 3.99Å; L1268-E1441 WeakPolarHBondContact CD2-OE2 3.47Å; L1268-E1441 HydrophobicContact CG-CB 4.38Å |
| 1269 | N | 86.9 | Confident | 89.2 | Confident | 82 Ų | 82 | 32.6 Ų | 32.6 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 32 | 177.1 | -166.4 | 30.4 | 0 | 0 | 0 | 113.7 | I1265 L1266 R1267 A1271 R1272 T1273 | I1265-N1269 PolarHBondContact O-N 2.94Å; L1266-N1269 WeakPolarHBondContact O-CA 3.35Å; L1266-N1269 PolarHBondContact O-N 2.87Å; R1267-N1269 PolarHBondContact O-N 3.07Å; N1269-A1271 PolarHBondContact O-N 2.9Å; N1269-R1272 PolarHBondContact O-N 3.4Å; N1269-R1272 WeakPolarHBondContact OD1-CG 3.48Å; N1269-T1273 PolarHBondContact O-N 2.69Å |
| 1270 | G | 87.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1265 L1268 R1272 T1273 I1276 | I1265-G1270 WeakPolarHBondContact O-CA 3.43Å; I1265-G1270 PolarHBondContact O-N 3.13Å; L1268-G1270 VanDerWaalsContact C-N 3.27Å; L1268-G1270 PolarHBondContact O-N 2.96Å; G1270-R1272 PolarHBondContact O-N 3.26Å; G1270-T1273 PolarHBondContact O-N 2.77Å; G1270-I1276 WeakPolarHBondContact O-CB 3.47Å; G1270-I1276 WeakPolarHBondContact O-CG2 3.5Å |
| 1271 | A | 89 | Confident | 89.6 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1269 L1527 H1532 | N1269-A1271 PolarHBondContact O-N 2.9Å; A1271-L1527 VanDerWaalsContact CA-CD2 3.46Å; A1271-L1527 HydrophobicContact CB-CD2 3.84Å; A1271-H1532 HydrophobicContact CB-CB 4.23Å; A1271-H1532 WeakPolarHBondContact O-CB 3.36Å |
| 1272 | R | 90.5 | Very high | 89.4 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -1.8 | 177.1 | -57.2 | -175.3 | 166.5 | 171.7 | -0.2 | 112.9 | N1269 G1270 E1274 E1347 | N1269-R1272 PolarHBondContact O-N 3.4Å; N1269-R1272 WeakPolarHBondContact OD1-CG 3.48Å; G1270-R1272 PolarHBondContact O-N 3.26Å; R1272-E1274 PolarHBondContact O-N 3.17Å; R1272-E1347 IonicContact CZ-OE1 3.72Å; R1272-E1347 IonicContact NH2-OE1 3.66Å; R1272-E1347 PolarHBondContact NH2-OE1 3.39Å; R1272-E1347 IonicContact NH2-OE2 3.37Å |
| 1273 | T | 93.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -74.1 | 121.8 | 173.5 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | N1269 G1270 G1275 I1276 N1439 S1442 H1443 S1536 | N1269-T1273 PolarHBondContact O-N 2.69Å; G1270-T1273 PolarHBondContact O-N 2.77Å; T1273-G1275 PolarHBondContact O-N 3.42Å; T1273-I1276 PolarHBondContact O-N 2.95Å; T1273-N1439 WeakPolarHBondContact CB-OD1 3.35Å; T1273-N1439 HydrophobicContact CG2-CB 3.99Å; T1273-N1439 WeakPolarHBondContact CG2-OD1 3.3Å; T1273-N1439 PolarHBondContact OG1-OD1 3.41Å; T1273-S1442 WeakPolarHBondContact CB-OG 3.21Å; T1273-S1442 WeakPolarHBondContact CG2-OG 3.36Å; T1273-S1442 PolarHBondContact OG1-OG 2.86Å; T1273-H1443 WeakPolarHBondContact CG2-CE1 3.5Å; T1273-S1536 WeakPolarHBondContact O-CA 3.4Å; T1273-S1536 WeakPolarHBondContact O-CB 3.43Å |
| 1274 | E | 93.8 | Very high | 88.9 | Confident | 123 Ų | 123 | 50.6 Ų | 50.6 | 58% | 0.575 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 128 | 173.5 | -167.3 | -169.2 | 156.2 | 0 | 0 | 111.6 | R1272 I1276 H1443 S1536 L1537 | R1272-E1274 PolarHBondContact O-N 3.17Å; E1274-I1276 VanDerWaalsContact C-N 3.32Å; E1274-I1276 PolarHBondContact O-N 3.07Å; E1274-H1443 PolarHBondContact O-CE1 2.98Å; E1274-S1536 CarbonylContact C-O 3.58Å; E1274-S1536 WeakPolarHBondContact CA-O 3.45Å; E1274-L1537 HydrophobicContact CG-CD1 3.88Å; E1274-L1537 HydrophobicContact CG-CG 4.21Å |
| 1275 | G | 94.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 27.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1273 R1278 L1279 S1536 | T1273-G1275 PolarHBondContact O-N 3.42Å; G1275-R1278 WeakPolarHBondContact O-CA 3.29Å; G1275-R1278 WeakPolarHBondContact O-CB 3.29Å; G1275-R1278 PolarHBondContact O-N 2.91Å; G1275-L1279 PolarHBondContact O-N 3.26Å; G1275-S1536 PolarHBondContact N-O 3.12Å |
| 1276 | I | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 140.7 | 172.2 | -164.1 | 63.5 | 0 | 0 | 0 | 111 | I1265 G1270 T1273 E1274 R1278 A1446 M1538 | I1265-I1276 HydrophobicContact CG2-CD1 4.38Å; I1265-I1276 HydrophobicContact CG2-CG1 4.37Å; G1270-I1276 WeakPolarHBondContact O-CB 3.47Å; G1270-I1276 WeakPolarHBondContact O-CG2 3.5Å; T1273-I1276 PolarHBondContact O-N 2.95Å; E1274-I1276 VanDerWaalsContact C-N 3.32Å; E1274-I1276 PolarHBondContact O-N 3.07Å; I1276-R1278 PolarHBondContact O-N 3.49Å; I1276-A1446 HydrophobicContact CD1-CB 3.78Å; I1276-A1446 HydrophobicContact CG1-CB 4.31Å; I1276-M1538 HydrophobicContact CG2-CB 4.25Å; I1276-M1538 HydrophobicContact CG2-CG 4.07Å; I1276-M1538 WeakPolarHBondContact O-CE 3.4Å; I1276-M1538 WeakPolarHBondContact O-CG 3.46Å |
| 1277 | F | 96.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -19.6 | -165.9 | -66 | -70.2 | 0 | 0 | 0 | 117.8 | I1265 A1446 L1449 K1450 L1523 L1524 L1527 L1543 V1546 I1547 | I1265-F1277 HydrophobicContact CD1-CE1 4.1Å; I1265-F1277 HydrophobicContact CD1-CE2 4.45Å; I1265-F1277 HydrophobicContact CD1-CZ 3.66Å; F1277-A1446 HydrophobicContact CD1-CB 3.62Å; F1277-A1446 HydrophobicContact CE1-CB 3.81Å; F1277-A1446 HydrophobicContact CG-CB 4.1Å; F1277-A1446 HydrophobicContact CZ-CB 4.43Å; F1277-L1449 HydrophobicContact CE1-CB 4.44Å; F1277-L1449 HydrophobicContact CE1-CD2 4.17Å; F1277-L1449 HydrophobicContact CZ-CD2 4.01Å; F1277-K1450 HydrophobicContact CD1-CD 4.04Å; F1277-K1450 HydrophobicContact CD1-CG 3.85Å; F1277-K1450 HydrophobicContact CE1-CG 4.35Å; F1277-K1450 WeakPolarHBondContact O-CE 3.49Å; F1277-K1450 PolarHBondContact O-NZ 3.41Å; F1277-L1523 HydrophobicContact CE2-CD2 4.32Å; F1277-L1523 HydrophobicContact CZ-CD2 4.03Å; F1277-L1524 HydrophobicContact CD2-CD2 4.25Å; F1277-L1524 HydrophobicContact CE2-CD2 3.95Å; F1277-L1527 HydrophobicContact CD2-CD1 4.05Å; F1277-L1527 HydrophobicContact CE2-CD1 3.54Å; F1277-L1543 HydrophobicContact CD2-CD2 3.97Å; F1277-V1546 HydrophobicContact CB-CG2 3.64Å; F1277-I1547 HydrophobicContact CD1-CD1 3.82Å; F1277-I1547 HydrophobicContact CD2-CD1 4.41Å; F1277-I1547 HydrophobicContact CE1-CD1 4Å; F1277-I1547 HydrophobicContact CG-CD1 4.03Å; F1277-I1547 HydrophobicContact CZ-CD1 4.36Å |
| 1278 | R | 94.9 | Very high | 88 | Confident | 151 Ų | 151 | 54.9 Ų | 54.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -47.8 | 179.5 | 179.3 | 178 | 174.6 | -170.3 | -3.3 | 112.8 | G1275 I1276 M1538 V1546 | G1275-R1278 WeakPolarHBondContact O-CA 3.29Å; G1275-R1278 WeakPolarHBondContact O-CB 3.29Å; G1275-R1278 PolarHBondContact O-N 2.91Å; I1276-R1278 PolarHBondContact O-N 3.49Å; R1278-M1538 HydrophobicContact CB-CE 3.93Å; R1278-M1538 HydrophobicContact CB-SD 3.64Å; R1278-M1538 HydrophobicContact CG-SD 4.41Å; R1278-V1546 HydrophobicContact CB-CG1 4.11Å; R1278-V1546 HydrophobicContact CG-CG1 4.33Å |
| 1279 | L | 92.7 | Very high | 87.7 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -68.8 | 150.5 | 171.7 | -61.7 | 179.8 | 0 | 0 | 0 | 109.9 | G1275 | G1275-L1279 PolarHBondContact O-N 3.26Š|
| 1280 | S | 87.7 | Confident | 87.5 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 63% | 0.629 | 26% | 0.257 | S | S | * | . | trans | -104.6 | 136.6 | 177 | -62.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1281 | P | 90.1 | Very high | 86.6 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | trans | -71.2 | 174.8 | 172.7 | 33.9 | -37.3 | 0 | 0 | 0 | 110.8 | M1283 L1286 H1443 L1444 | P1281-M1283 PolarHBondContact O-N 3.46Å; P1281-L1286 HydrophobicContact CG-CB 4.25Å; P1281-L1286 HydrophobicContact CG-CD1 3.53Å; P1281-H1443 HydrophobicContact CB-CB 4.37Å; P1281-L1444 HydrophobicContact CB-CB 4.21Å; P1281-L1444 HydrophobicContact CB-CD1 3.85Å; P1281-L1444 HydrophobicContact CG-CD1 4.12Å | ||
| 1282 | D | 86.7 | Confident | 85.7 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | trans | -54.4 | 129 | 164.8 | -176.6 | -86.2 | 0 | 0 | 0 | 110.7 | D1284 L1285 L1286 | D1282-D1284 PolarHBondContact OD1-N 2.85Å; D1282-D1284 VanDerWaalsContact OD1-N 3.09Å; D1282-L1285 HydrophobicContact CB-CB 4.09Å; D1282-L1285 WeakPolarHBondContact OD1-CB 3.43Å; D1282-L1285 PolarHBondContact OD1-N 3.45Å; D1282-L1286 WeakPolarHBondContact O-CB 3.42Å; D1282-L1286 PolarHBondContact O-N 3.16Å | ||
| 1283 | M | 82.2 | Confident | 85.1 | Confident | 101 Ų | 101 | 50 Ų | 50 | 50% | 0.498 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77.3 | -33.2 | -171.1 | -78.2 | -61.6 | -50.7 | 0 | 0 | 113 | P1281 L1286 I1287 | P1281-M1283 PolarHBondContact O-N 3.46Å; M1283-L1286 HydrophobicContact CE-CD2 3.93Å; M1283-L1286 PolarHBondContact O-N 3.02Å; M1283-L1286 HydrophobicContact SD-CD2 4.36Å; M1283-I1287 WeakPolarHBondContact O-CD1 3.21Å; M1283-I1287 VanDerWaalsContact O-CG1 3.26Å; M1283-I1287 WeakPolarHBondContact O-CG1 3.13Å; M1283-I1287 PolarHBondContact O-N 3.12Å |
| 1284 | D | 77.4 | Confident | 84.1 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -75.5 | -41.1 | -178.7 | -65.4 | -23.8 | 0 | 0 | 0 | 109.8 | D1282 L1286 I1287 E1288 | D1282-D1284 PolarHBondContact OD1-N 2.85Å; D1282-D1284 VanDerWaalsContact OD1-N 3.09Å; D1284-L1286 VanDerWaalsContact C-N 3.35Å; D1284-L1286 PolarHBondContact O-N 3.44Å; D1284-I1287 PolarHBondContact O-N 2.94Å; D1284-E1288 PolarHBondContact O-N 3.17Å |
| 1285 | L | 83.3 | Confident | 82.8 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.183 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 170 | -177.1 | 63.1 | 0 | 0 | 0 | 112 | D1282 V1289 I1414 L1444 | D1282-L1285 HydrophobicContact CB-CB 4.09Å; D1282-L1285 WeakPolarHBondContact OD1-CB 3.43Å; D1282-L1285 PolarHBondContact OD1-N 3.45Å; L1285-V1289 HydrophobicContact CD1-CG2 3.84Å; L1285-V1289 HydrophobicContact CG-CG2 4.3Å; L1285-V1289 VanDerWaalsContact O-CB 3.29Å; L1285-V1289 WeakPolarHBondContact O-CB 3.36Å; L1285-V1289 VanDerWaalsContact O-CG2 3.29Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.25Å; L1285-V1289 PolarHBondContact O-N 3.26Å; L1285-I1414 HydrophobicContact CD1-CG1 4.41Å; L1285-I1414 HydrophobicContact CD1-CG2 4.22Å; L1285-I1414 HydrophobicContact CD2-CG2 4.43Å; L1285-L1444 HydrophobicContact CD2-CD1 4.45Å; L1285-L1444 HydrophobicContact CD2-CD2 4.14Å; L1285-L1444 HydrophobicContact CG-CD1 4.23Å; L1285-L1444 HydrophobicContact CG-CD2 4.14Å |
| 1286 | L | 86.8 | Confident | 81.5 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175 | 171.8 | 142.1 | 0 | 0 | 0 | 112.2 | P1281 D1282 M1283 D1284 R1290 L1444 L1448 L1451 | P1281-L1286 HydrophobicContact CG-CB 4.25Å; P1281-L1286 HydrophobicContact CG-CD1 3.53Å; D1282-L1286 WeakPolarHBondContact O-CB 3.42Å; D1282-L1286 PolarHBondContact O-N 3.16Å; M1283-L1286 HydrophobicContact CE-CD2 3.93Å; M1283-L1286 PolarHBondContact O-N 3.02Å; M1283-L1286 HydrophobicContact SD-CD2 4.36Å; D1284-L1286 VanDerWaalsContact C-N 3.35Å; D1284-L1286 PolarHBondContact O-N 3.44Å; L1286-R1290 WeakPolarHBondContact O-CB 3.39Å; L1286-R1290 PolarHBondContact O-N 3.36Å; L1286-L1444 HydrophobicContact CB-CD1 3.8Å; L1286-L1448 HydrophobicContact CG-CD2 4.22Å; L1286-L1451 HydrophobicContact CD2-CD2 4Å |
| 1287 | I | 76.9 | Confident | 80.3 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 44% | 0.436 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.7 | -48.6 | 175.6 | -71 | 164 | 0 | 0 | 0 | 110.5 | M1283 D1284 R1290 C1291 | M1283-I1287 WeakPolarHBondContact O-CD1 3.21Å; M1283-I1287 VanDerWaalsContact O-CG1 3.26Å; M1283-I1287 WeakPolarHBondContact O-CG1 3.13Å; M1283-I1287 PolarHBondContact O-N 3.12Å; D1284-I1287 PolarHBondContact O-N 2.94Å; I1287-R1290 WeakPolarHBondContact O-CB 3.43Å; I1287-R1290 PolarHBondContact O-N 3.46Å; I1287-C1291 PolarHBondContact O-N 2.94Å; I1287-C1291 PolarHBondContact O-SG 3.2Å |
| 1288 | E | 74.2 | Confident | 78.6 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | -179.7 | 174.4 | 53.9 | -153.8 | 0 | 0 | 111.9 | D1284 R1290 C1291 Q1292 A1417 | D1284-E1288 PolarHBondContact O-N 3.17Å; E1288-R1290 VanDerWaalsContact C-N 3.3Å; E1288-R1290 PolarHBondContact O-N 3.46Å; E1288-C1291 WeakPolarHBondContact O-CB 3.03Å; E1288-C1291 PolarHBondContact O-N 2.58Å; E1288-C1291 VanDerWaalsContact O-N 3.1Å; E1288-Q1292 WeakPolarHBondContact O-CG 3.4Å; E1288-Q1292 PolarHBondContact O-N 3.06Å; E1288-Q1292 WeakPolarHBondContact OE1-CG 3.42Å; E1288-Q1292 PolarHBondContact OE1-NE2 3.29Å; E1288-A1417 HydrophobicContact CG-CB 3.6Å |
| 1289 | V | 79.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -32.1 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L1285 Q1292 L1293 L1410 I1413 I1414 A1417 L1444 L1448 | L1285-V1289 HydrophobicContact CD1-CG2 3.84Å; L1285-V1289 HydrophobicContact CG-CG2 4.3Å; L1285-V1289 VanDerWaalsContact O-CB 3.29Å; L1285-V1289 WeakPolarHBondContact O-CB 3.36Å; L1285-V1289 VanDerWaalsContact O-CG2 3.29Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.25Å; L1285-V1289 PolarHBondContact O-N 3.26Å; V1289-Q1292 PolarHBondContact O-N 3.24Å; V1289-L1293 WeakPolarHBondContact O-CG 3.45Å; V1289-L1293 PolarHBondContact O-N 3.38Å; V1289-L1410 HydrophobicContact CG1-CD1 3.57Å; V1289-I1413 HydrophobicContact CB-CG2 4.41Å; V1289-I1413 HydrophobicContact CG1-CB 4.34Å; V1289-I1413 HydrophobicContact CG1-CG2 3.9Å; V1289-I1413 HydrophobicContact CG2-CG2 4.23Å; V1289-I1414 HydrophobicContact CG2-CG1 4.1Å; V1289-A1417 HydrophobicContact CG2-CB 4.36Å; V1289-L1444 HydrophobicContact CB-CD2 4.36Å; V1289-L1444 HydrophobicContact CG1-CD2 4.26Å; V1289-L1444 HydrophobicContact CG2-CD2 4.14Å; V1289-L1448 HydrophobicContact CG1-CD1 3.72Å |
| 1290 | R | 82.5 | Confident | 75.2 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 168.3 | 165.5 | -100.3 | 176.8 | 75 | 18.1 | 111.8 | F1234 L1286 I1287 E1288 Q1292 L1293 E1294 L1448 L1451 E1455 | F1234-R1290 HydrophobicContact CD1-CG 4.26Å; F1234-R1290 HydrophobicContact CD2-CG 3.75Å; F1234-R1290 HydrophobicContact CE1-CG 4.1Å; F1234-R1290 HydrophobicContact CE2-CB 4.18Å; F1234-R1290 HydrophobicContact CE2-CG 3.57Å; F1234-R1290 HydrophobicContact CG-CG 4.12Å; F1234-R1290 HydrophobicContact CZ-CB 4.08Å; F1234-R1290 HydrophobicContact CZ-CG 3.77Å; L1286-R1290 WeakPolarHBondContact O-CB 3.39Å; L1286-R1290 PolarHBondContact O-N 3.36Å; I1287-R1290 WeakPolarHBondContact O-CB 3.43Å; I1287-R1290 PolarHBondContact O-N 3.46Å; E1288-R1290 VanDerWaalsContact C-N 3.3Å; E1288-R1290 PolarHBondContact O-N 3.46Å; R1290-Q1292 VanDerWaalsContact C-N 3.3Å; R1290-Q1292 PolarHBondContact O-N 2.89Å; R1290-L1293 PolarHBondContact O-N 3.19Å; R1290-E1294 IonicContact CZ-OE1 2.87Å; R1290-E1294 IonicContact CZ-OE2 3.63Å; R1290-E1294 IonicContact NE-OE1 3.5Å; R1290-E1294 PolarHBondContact NE-OE1 2.61Å; R1290-E1294 IonicContact NE-OE2 3.61Å; R1290-E1294 PolarHBondContact NE-OE2 2.84Å; R1290-E1294 IonicContact NH2-OE1 3.66Å; R1290-E1294 PolarHBondContact NH2-OE1 2.7Å; R1290-E1294 IonicContact NH2-OE2 3.64Å; R1290-E1294 PolarHBondContact O-N 3Å; R1290-L1448 HydrophobicContact CB-CD2 3.83Å; R1290-L1451 HydrophobicContact CB-CD2 4.27Å; R1290-L1451 HydrophobicContact CG-CD2 3.98Å; R1290-E1455 IonicContact CZ-OE1 3.31Å; R1290-E1455 IonicContact CZ-OE2 3.17Å; R1290-E1455 IonicContact NH1-OE1 2.62Å; R1290-E1455 PolarHBondContact NH1-OE1 3.19Å; R1290-E1455 IonicContact NH1-OE2 2.75Å; R1290-E1455 PolarHBondContact NH1-OE2 3.01Å; R1290-E1455 IonicContact NH2-OE1 3.41Å; R1290-E1455 IonicContact NH2-OE2 3.63Å; R1290-E1455 PolarHBondContact NH2-OE2 3.34Å |
| 1291 | C | 68.8 | Low | 73.3 | Confident | 24 Ų | 24 | 39 Ų | 39 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -35.4 | 176 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | I1287 E1288 E1294 K1295 | I1287-C1291 PolarHBondContact O-N 2.94Å; I1287-C1291 PolarHBondContact O-SG 3.2Å; E1288-C1291 WeakPolarHBondContact O-CB 3.03Å; E1288-C1291 PolarHBondContact O-N 2.58Å; E1288-C1291 VanDerWaalsContact O-N 3.1Å; C1291-E1294 PolarHBondContact O-N 3.02Å; C1291-K1295 VanDerWaalsContact O-CG 3.24Å; C1291-K1295 WeakPolarHBondContact O-CG 3.44Å; C1291-K1295 PolarHBondContact O-N 3.18Å |
| 1292 | Q | 70.5 | Confident | 71.1 | Confident | 41 Ų | 41 | 39 Ų | 39 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.2 | -34.3 | 174 | -64.7 | -66.2 | -28.4 | 0 | 0 | 112.8 | E1288 V1289 R1290 K1295 L1296 I1413 | E1288-Q1292 WeakPolarHBondContact O-CG 3.4Å; E1288-Q1292 PolarHBondContact O-N 3.06Å; E1288-Q1292 WeakPolarHBondContact OE1-CG 3.42Å; E1288-Q1292 PolarHBondContact OE1-NE2 3.29Å; V1289-Q1292 PolarHBondContact O-N 3.24Å; R1290-Q1292 VanDerWaalsContact C-N 3.3Å; R1290-Q1292 PolarHBondContact O-N 2.89Å; Q1292-K1295 PolarHBondContact O-N 3.12Å; Q1292-L1296 PolarHBondContact O-N 3.41Å; Q1292-I1413 HydrophobicContact CB-CG2 3.52Å; Q1292-I1413 HydrophobicContact CG-CG2 4.13Å |
| 1293 | L | 77.4 | Confident | 68.7 | Low | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.3 | -39.5 | 172.5 | -74.8 | 168.2 | 0 | 0 | 0 | 112.4 | F1234 W1256 I1257 F1260 L1261 V1289 R1290 L1296 F1297 I1413 L1448 | F1234-L1293 HydrophobicContact CE2-CB 4.27Å; F1234-L1293 HydrophobicContact CZ-CD1 4.32Å; W1256-L1293 HydrophobicContact CH2-CD2 4Å; W1256-L1293 HydrophobicContact CZ3-CD2 4.4Å; I1257-L1293 HydrophobicContact CD1-CD1 4.32Å; F1260-L1293 HydrophobicContact CD1-CD2 4.32Å; F1260-L1293 HydrophobicContact CE1-CD2 3.92Å; L1261-L1293 HydrophobicContact CD2-CD1 4.43Å; V1289-L1293 WeakPolarHBondContact O-CG 3.45Å; V1289-L1293 PolarHBondContact O-N 3.38Å; R1290-L1293 PolarHBondContact O-N 3.19Å; L1293-L1296 PolarHBondContact O-N 3.35Å; L1293-F1297 PolarHBondContact O-N 3.2Å; L1293-I1413 HydrophobicContact CD2-CD1 3.7Å; L1293-I1413 HydrophobicContact CG-CD1 4.16Å; L1293-L1448 HydrophobicContact CD1-CD1 4.16Å; L1293-L1448 HydrophobicContact CD1-CD2 4.46Å |
| 1294 | E | 74 | Confident | 66.3 | Low | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 173.8 | -72.4 | 172.1 | 147.9 | 0 | 0 | 111.2 | R1203 F1227 V1233 F1234 R1290 C1291 L1296 F1297 E1298 | R1203-E1294 IonicContact NH2-OE1 2.71Å; F1227-E1294 HydrophobicContact CE2-CB 4.23Å; F1227-E1294 HydrophobicContact CZ-CG 4.42Å; V1233-E1294 HydrophobicContact CB-CG 4.49Å; F1234-E1294 HydrophobicContact CD2-CG 3.71Å; F1234-E1294 WeakPolarHBondContact CD2-OE1 3.36Å; F1234-E1294 HydrophobicContact CE2-CG 4.18Å; R1290-E1294 IonicContact CZ-OE1 2.87Å; R1290-E1294 IonicContact CZ-OE2 3.63Å; R1290-E1294 IonicContact NE-OE1 3.5Å; R1290-E1294 PolarHBondContact NE-OE1 2.61Å; R1290-E1294 IonicContact NE-OE2 3.61Å; R1290-E1294 PolarHBondContact NE-OE2 2.84Å; R1290-E1294 IonicContact NH2-OE1 3.66Å; R1290-E1294 PolarHBondContact NH2-OE1 2.7Å; R1290-E1294 IonicContact NH2-OE2 3.64Å; R1290-E1294 PolarHBondContact O-N 3Å; C1291-E1294 PolarHBondContact O-N 3.02Å; E1294-L1296 PolarHBondContact O-N 2.89Å; E1294-F1297 PolarHBondContact O-N 3.3Å; E1294-E1298 PolarHBondContact O-N 3.13Å |
| 1295 | K | 64.9 | Low | 64 | Low | 93 Ų | 93 | 34.9 Ų | 34.9 | 40% | 0.404 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64 | -34.1 | 171.7 | -69 | 165.6 | -163.6 | 169.6 | 0 | 113.5 | C1291 Q1292 | C1291-K1295 VanDerWaalsContact O-CG 3.24Å; C1291-K1295 WeakPolarHBondContact O-CG 3.44Å; C1291-K1295 PolarHBondContact O-N 3.18Å; Q1292-K1295 PolarHBondContact O-N 3.12Å |
| 1296 | L | 68.6 | Low | 61.3 | Low | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.9 | -42 | 177.7 | -165.6 | 90.6 | 0 | 0 | 0 | 111.6 | W1256 Q1292 L1293 E1294 I1299 W1406 P1407 | W1256-L1296 HydrophobicContact CH2-CD2 3.5Å; W1256-L1296 HydrophobicContact CZ2-CD2 3.8Å; W1256-L1296 HydrophobicContact CZ3-CD2 4.4Å; Q1292-L1296 PolarHBondContact O-N 3.41Å; L1293-L1296 PolarHBondContact O-N 3.35Å; E1294-L1296 PolarHBondContact O-N 2.89Å; L1296-I1299 HydrophobicContact CD1-CD1 4.4Å; L1296-I1299 VanDerWaalsContact O-CB 3.29Å; L1296-I1299 WeakPolarHBondContact O-CB 3.48Å; L1296-I1299 VanDerWaalsContact O-CG1 3.29Å; L1296-I1299 WeakPolarHBondContact O-CG1 3.05Å; L1296-I1299 PolarHBondContact O-N 3.03Å; L1296-I1299 VanDerWaalsContact O-N 3.1Å; L1296-W1406 HydrophobicContact CD1-CD2 4.21Å; L1296-W1406 HydrophobicContact CD1-CE3 3.92Å; L1296-W1406 HydrophobicContact CD1-CG 4.49Å; L1296-W1406 HydrophobicContact CG-CE3 4.44Å; L1296-P1407 HydrophobicContact CD1-CG 4.13Å |
| 1297 | F | 70.8 | Confident | 58.5 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.6 | -30.2 | -177.3 | -173.8 | -94.4 | 0 | 0 | 0 | 113.3 | V1233 M1241 I1244 Q1245 W1256 L1293 E1294 I1299 F1300 | V1233-F1297 HydrophobicContact CG2-CB 3.18Å; V1233-F1297 HydrophobicContact CG2-CD1 3.63Å; V1233-F1297 HydrophobicContact CG2-CD2 3.63Å; V1233-F1297 HydrophobicContact CG2-CE1 4.36Å; V1233-F1297 HydrophobicContact CG2-CE2 4.39Å; V1233-F1297 HydrophobicContact CG2-CG 3.21Å; M1241-F1297 HydrophobicContact CB-CZ 4.3Å; M1241-F1297 HydrophobicContact CG-CE2 3.99Å; M1241-F1297 HydrophobicContact CG-CZ 3.75Å; I1244-F1297 HydrophobicContact CB-CE1 3.92Å; I1244-F1297 HydrophobicContact CB-CZ 3.88Å; I1244-F1297 HydrophobicContact CD1-CE1 4.01Å; I1244-F1297 HydrophobicContact CG2-CD1 4.2Å; I1244-F1297 HydrophobicContact CG2-CE1 3.4Å; I1244-F1297 VanDerWaalsContact CG2-CE1 3.4Å; I1244-F1297 HydrophobicContact CG2-CZ 3.62Å; Q1245-F1297 HydrophobicContact CB-CE2 4.34Å; W1256-F1297 HydrophobicContact CE3-CD2 4.26Å; L1293-F1297 PolarHBondContact O-N 3.2Å; E1294-F1297 PolarHBondContact O-N 3.3Å; F1297-I1299 PolarHBondContact O-N 3.04Å; F1297-I1299 VanDerWaalsContact O-N 3.09Å; F1297-F1300 HydrophobicContact CB-CD2 4.42Å; F1297-F1300 AromaticContact CD2-CD2 3.35Å; F1297-F1300 HydrophobicContact CD2-CD2 3.35Å; F1297-F1300 AromaticContact CD2-CE2 3.55Å; F1297-F1300 HydrophobicContact CD2-CE2 3.55Å; F1297-F1300 AromaticContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CE2 4.15Å; F1297-F1300 AromaticContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CE2 4.32Å; F1297-F1300 WeakPolarHBondContact O-CB 3.33Å; F1297-F1300 PolarHBondContact O-N 3.41Å |
| 1298 | E | 59.5 | Low | 56.1 | Low | 30 Ų | 30 | 43.9 Ų | 43.9 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -51.1 | -29.8 | 167 | -92.5 | -84.4 | 117.2 | 0 | 0 | 112.3 | K1230 E1294 F1300 R1301 | K1230-E1298 HydrophobicContact CB-CG 4.46Å; K1230-E1298 VanDerWaalsContact CB-OE1 3.26Å; K1230-E1298 WeakPolarHBondContact CB-OE1 3.27Å; K1230-E1298 HydrophobicContact CD-CG 4.28Å; K1230-E1298 VanDerWaalsContact CD-OE2 3.29Å; K1230-E1298 WeakPolarHBondContact CD-OE2 3.34Å; K1230-E1298 WeakPolarHBondContact CE-OE2 3.38Å; K1230-E1298 WeakPolarHBondContact CG-OE1 3.3Å; K1230-E1298 WeakPolarHBondContact CG-OE2 3.17Å; K1230-E1298 IonicContact NZ-OE2 2.69Å; K1230-E1298 PolarHBondContact NZ-OE2 2.91Å; E1294-E1298 PolarHBondContact O-N 3.13Å; E1298-F1300 PolarHBondContact O-N 2.9Å; E1298-R1301 VanDerWaalsContact O-CB 3.28Å; E1298-R1301 WeakPolarHBondContact O-CB 3.22Å; E1298-R1301 PolarHBondContact O-N 3.1Å; E1298-R1301 WeakPolarHBondContact OE1-CD 3.3Å; E1298-R1301 IonicContact OE1-CZ 2.67Å; E1298-R1301 IonicContact OE1-NE 3.22Å; E1298-R1301 IonicContact OE1-NH1 3.81Å; E1298-R1301 PolarHBondContact OE1-NH1 2.94Å; E1298-R1301 IonicContact OE2-NH1 3.49Å |
| 1299 | I | 57.7 | Low | 54 | Low | 32 Ų | 32 | 50.1 Ų | 50.1 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -74.1 | -13.7 | 179.2 | -40.7 | 167.5 | 0 | 0 | 0 | 112.7 | L1296 F1297 R1301 V1302 L1399 W1406 | L1296-I1299 HydrophobicContact CD1-CD1 4.4Å; L1296-I1299 VanDerWaalsContact O-CB 3.29Å; L1296-I1299 WeakPolarHBondContact O-CB 3.48Å; L1296-I1299 VanDerWaalsContact O-CG1 3.29Å; L1296-I1299 WeakPolarHBondContact O-CG1 3.05Å; L1296-I1299 PolarHBondContact O-N 3.03Å; L1296-I1299 VanDerWaalsContact O-N 3.1Å; F1297-I1299 PolarHBondContact O-N 3.04Å; F1297-I1299 VanDerWaalsContact O-N 3.09Å; I1299-R1301 VanDerWaalsContact C-N 3.25Å; I1299-V1302 HydrophobicContact CG2-CG2 4.23Å; I1299-V1302 WeakPolarHBondContact O-CG2 3.31Å; I1299-L1399 HydrophobicContact CG1-CD2 4.5Å; I1299-L1399 HydrophobicContact CG2-CD1 4.45Å; I1299-L1399 HydrophobicContact CG2-CD2 3.43Å; I1299-L1399 VanDerWaalsContact CG2-CD2 3.43Å; I1299-W1406 HydrophobicContact CB-CH2 3.84Å; I1299-W1406 HydrophobicContact CB-CZ2 3.99Å; I1299-W1406 HydrophobicContact CD1-CD2 4.36Å; I1299-W1406 HydrophobicContact CD1-CH2 4.09Å; I1299-W1406 HydrophobicContact CD1-CZ2 3.72Å; I1299-W1406 HydrophobicContact CG1-CZ2 4.43Å; I1299-W1406 HydrophobicContact CG2-CH2 3.53Å; I1299-W1406 HydrophobicContact CG2-CZ2 3.35Å |
| 1300 | F | 60.1 | Low | 51.6 | Low | 5 Ų | 5 | 58.5 Ų | 58.5 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -77.1 | -14.5 | 169.7 | -53.1 | -27.5 | 0 | 0 | 0 | 112 | I1244 Y1247 R1248 F1249 W1256 F1297 E1298 V1302 W1406 | I1244-F1300 HydrophobicContact CG2-CB 4.42Å; Y1247-F1300 WeakPolarHBondContact CD1-O 3.35Å; R1248-F1300 HydrophobicContact CB-CB 4.44Å; R1248-F1300 HydrophobicContact CB-CD1 4.4Å; R1248-F1300 HydrophobicContact CG-CD1 4.19Å; F1249-F1300 HydrophobicContact CE2-CD1 4.09Å; F1249-F1300 HydrophobicContact CE2-CD2 4.32Å; F1249-F1300 AromaticContact CE2-CE1 3.7Å; F1249-F1300 HydrophobicContact CE2-CE1 3.7Å; F1249-F1300 AromaticContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CG 4.42Å; F1249-F1300 AromaticContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CZ-CE1 4.13Å; F1249-F1300 HydrophobicContact CZ-CZ 4.22Å; W1256-F1300 AromaticContact CD2-CE2 3.76Å; W1256-F1300 HydrophobicContact CD2-CE2 3.76Å; W1256-F1300 AromaticContact CD2-CZ 3.99Å; W1256-F1300 HydrophobicContact CD2-CZ 3.99Å; W1256-F1300 AromaticContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CZ 4.3Å; W1256-F1300 HydrophobicContact CG-CE2 4.07Å; W1256-F1300 HydrophobicContact CG-CZ 4.38Å; W1256-F1300 HydrophobicContact CZ2-CZ 4.43Å; W1256-F1300 HydrophobicContact CZ3-CE2 4.39Å; F1297-F1300 HydrophobicContact CB-CD2 4.42Å; F1297-F1300 AromaticContact CD2-CD2 3.35Å; F1297-F1300 HydrophobicContact CD2-CD2 3.35Å; F1297-F1300 AromaticContact CD2-CE2 3.55Å; F1297-F1300 HydrophobicContact CD2-CE2 3.55Å; F1297-F1300 AromaticContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CE2 4.15Å; F1297-F1300 AromaticContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CE2 4.32Å; F1297-F1300 WeakPolarHBondContact O-CB 3.33Å; F1297-F1300 PolarHBondContact O-N 3.41Å; E1298-F1300 PolarHBondContact O-N 2.9Å; F1300-V1302 PolarHBondContact O-N 3.37Å; F1300-W1406 HydrophobicContact CE1-CZ3 4.09Å |
| 1301 | R | 47.6 | Very low | 49 | Very low | 33 Ų | 33 | 67 Ų | 67 | 13% | 0.125 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -84.1 | 23.3 | 179.2 | -53.6 | -179.5 | 63.1 | -141.2 | -16.3 | 114.4 | L1182 G1183 P1231 I1244 E1298 I1299 V1303 | L1182-R1301 PolarHBondContact O-NH2 2.86Å; G1183-R1301 PolarHBondContact O-NH2 3.21Å; P1231-R1301 VanDerWaalsContact CD-CZ 3.49Å; I1244-R1301 HydrophobicContact CG2-CG 3.67Å; E1298-R1301 VanDerWaalsContact O-CB 3.28Å; E1298-R1301 WeakPolarHBondContact O-CB 3.22Å; E1298-R1301 PolarHBondContact O-N 3.1Å; E1298-R1301 WeakPolarHBondContact OE1-CD 3.3Å; E1298-R1301 IonicContact OE1-CZ 2.67Å; E1298-R1301 IonicContact OE1-NE 3.22Å; E1298-R1301 IonicContact OE1-NH1 3.81Å; E1298-R1301 PolarHBondContact OE1-NH1 2.94Å; E1298-R1301 IonicContact OE2-NH1 3.49Å; I1299-R1301 VanDerWaalsContact C-N 3.25Å; R1301-V1303 PolarHBondContact O-N 3.38Å |
| 1302 | V | 43.5 | Very low | 47.1 | Very low | 14 Ų | 14 | 74.8 Ų | 74.8 | 9% | 0.085 | 38% | 0.378 | C | S | . | . | trans | -75.9 | 65.4 | -171.1 | 157.8 | 0 | 0 | 0 | 0 | 111.3 | Y1247 I1299 F1300 Q1304 L1390 P1394 | Y1247-V1302 HydrophobicContact CE1-CB 4.3Å; Y1247-V1302 HydrophobicContact CE1-CG1 4.47Å; Y1247-V1302 WeakPolarHBondContact CE1-O 3.23Å; Y1247-V1302 PolarHBondContact OH-O 3.2Å; I1299-V1302 HydrophobicContact CG2-CG2 4.23Å; I1299-V1302 WeakPolarHBondContact O-CG2 3.31Å; F1300-V1302 PolarHBondContact O-N 3.37Å; V1302-Q1304 PolarHBondContact O-N 3.05Å; V1302-Q1304 VanDerWaalsContact O-N 3.09Å; V1302-L1390 HydrophobicContact CB-CD1 4.42Å; V1302-L1390 HydrophobicContact CG1-CD1 3.39Å; V1302-L1390 HydrophobicContact CG1-CD2 4.04Å; V1302-L1390 HydrophobicContact CG1-CG 4.33Å; V1302-P1394 HydrophobicContact CB-CG 4.33Å; V1302-P1394 HydrophobicContact CG1-CG 3.52Å; V1302-P1394 HydrophobicContact CG2-CG 4.13Å | ||
| 1303 | V | 35.7 | Very low | 45 | Very low | 58 Ų | 58 | 79.5 Ų | 79.5 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | trans | -60.2 | 114.3 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 109 | L1182 R1301 L1305 | L1182-V1303 HydrophobicContact CB-CG2 4.19Å; R1301-V1303 PolarHBondContact O-N 3.38Å; V1303-L1305 PolarHBondContact O-N 3.29Å | ||
| 1304 | Q | 31.6 | Very low | 42.7 | Very low | 40 Ų | 40 | 86.2 Ų | 86.2 | 19% | 0.187 | 44% | 0.441 | C | S | . | . | trans | -72 | 99.3 | 173.2 | -175 | 177 | -30.3 | 0 | 0 | 109 | V1302 C1306 S1391 L1392 | V1302-Q1304 PolarHBondContact O-N 3.05Å; V1302-Q1304 VanDerWaalsContact O-N 3.09Å; Q1304-C1306 HydrophobicContact CG-CB 4.11Å; Q1304-C1306 PolarHBondContact NE2-SG 3.06Å; Q1304-C1306 PolarHBondContact O-N 2.9Å; Q1304-S1391 PolarHBondContact NE2-OG 3.22Å; Q1304-S1391 PolarHBondContact OE1-OG 3.21Å; Q1304-L1392 HydrophobicContact CG-CB 4.42Å; Q1304-L1392 VanDerWaalsContact OE1-N 3.12Å | ||
| 1305 | L | 29.6 | Very low | 40.6 | Very low | 126 Ų | 126 | 92.4 Ų | 92.4 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | trans | -64.4 | 94.4 | 155.4 | -76.2 | 172.8 | 0 | 0 | 0 | 106.9 | V1303 D1307 | V1303-L1305 PolarHBondContact O-N 3.29Å; L1305-D1307 PolarHBondContact O-N 3.16Å; L1305-D1307 VanDerWaalsContact O-N 3.15Å | ||
| 1306 | C | 27.3 | Very low | 38.7 | Very low | 67 Ų | 67 | 94.7 Ų | 94.7 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | trans | -85.1 | 85 | -178.3 | -159 | 0 | 0 | 0 | 0 | 109.4 | Q1304 S1308 | Q1304-C1306 HydrophobicContact CG-CB 4.11Å; Q1304-C1306 PolarHBondContact NE2-SG 3.06Å; Q1304-C1306 PolarHBondContact O-N 2.9Å; C1306-S1308 VanDerWaalsContact C-N 3.35Å; C1306-S1308 PolarHBondContact O-N 2.85Å; C1306-S1308 PolarHBondContact O-OG 3.29Å | ||
| 1307 | D | 27.4 | Very low | 36.8 | Very low | 152 Ų | 152 | 105 Ų | 105 | 81% | 0.813 | 53% | 0.53 | S | S | * | . | trans | -58 | 99.7 | 167.9 | -74 | -36.1 | 0 | 0 | 0 | 108.8 | L1305 E1309 | L1305-D1307 PolarHBondContact O-N 3.16Å; L1305-D1307 VanDerWaalsContact O-N 3.15Å; D1307-E1309 VanDerWaalsContact C-N 3.31Å; D1307-E1309 PolarHBondContact O-N 3.15Å | ||
| 1308 | S | 27.1 | Very low | 34.8 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 69% | 0.685 | 56% | 0.56 | S | S | * | * | trans | -89.5 | 67.5 | -166.7 | -60 | 0 | 0 | 0 | 0 | 110.6 | C1306 | C1306-S1308 VanDerWaalsContact C-N 3.35Å; C1306-S1308 PolarHBondContact O-N 2.85Å; C1306-S1308 PolarHBondContact O-OG 3.29Å | ||
| 1309 | E | 29.6 | Very low | 33.2 | Very low | 189 Ų | 189 | 114.8 Ų | 114.8 | 88% | 0.883 | 59% | 0.594 | S | S | * | * | trans | -74.2 | 153 | 165.3 | -68.1 | -155.7 | 143.4 | 0 | 0 | 111.3 | D1307 | D1307-E1309 VanDerWaalsContact C-N 3.31Å; D1307-E1309 PolarHBondContact O-N 3.15Å | ||
| 1310 | Q | 28.3 | Very low | 31.8 | Very low | 177 Ų | 177 | 121 Ų | 121 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | trans | -98.8 | 133.7 | -154.6 | -60.4 | 165.2 | -32.9 | 0 | 0 | 112.8 | ||||
| 1311 | Q | 29.8 | Very low | 30.2 | Very low | 194 Ų | 194 | 125.5 Ų | 125.5 | 91% | 0.907 | 66% | 0.66 | S | S | * | * | trans | -136.9 | 109.7 | 144.6 | -71.3 | -164 | -15.6 | 0 | 0 | 110.4 | ||||
| 1312 | Q | 27.7 | Very low | 29.3 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -117.3 | 147.5 | 154.5 | -90.6 | -170 | -35.7 | 0 | 0 | 107.4 | ||||
| 1313 | N | 27.6 | Very low | 28.7 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | 99 | 122 | -164.7 | -66.9 | 21.9 | 0 | 0 | 0 | 111.4 | ||||
| 1314 | D | 28.6 | Very low | 28.3 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | cis | -139.4 | 176.5 | 12.8 | -83.4 | -49.2 | 0 | 0 | 0 | 113.6 | ||||
| 1315 | N | 29.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -76.8 | 159.2 | 177.7 | -68.5 | -70.1 | 0 | 0 | 0 | 113.1 | ||||
| 1316 | N | 26.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 70.4 | 114.6 | 173.8 | -47.7 | -42.5 | 0 | 0 | 0 | 115.3 | ||||
| 1317 | Y | 28.6 | Very low | 28.4 | Very low | 236 Ų | 236 | 146.7 Ų | 146.7 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | -160 | 152 | 91.8 | -105.6 | -79.4 | 0 | 0 | 0 | 110.2 | |||||
| 1318 | A | 27.2 | Very low | 28.4 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | trans | -93.8 | 153.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1319 | N | 27.2 | Very low | 28.5 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | 63.7 | 105 | 177.8 | -47.7 | -26.9 | 0 | 0 | 0 | 114.9 | ||||
| 1320 | D | 27.7 | Very low | 28.4 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | -150.5 | 172.2 | 107.7 | -138.9 | -30.9 | 0 | 0 | 0 | 111.5 | |||||
| 1321 | S | 27 | Very low | 28.7 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 67% | 0.673 | S | S | * | * | trans | -108.2 | 160.1 | -169.7 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1322 | D | 28.3 | Very low | 28.5 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | trans | 61.8 | 105.9 | 161.7 | -159.5 | 15.8 | 0 | 0 | 0 | 118.9 | ||||
| 1323 | L | 30.8 | Very low | 28.5 | Very low | 169 Ų | 169 | 118.2 Ų | 118.2 | 89% | 0.885 | 63% | 0.633 | S | S | * | * | trans | -149.8 | 117.8 | 144 | -121.1 | 171.8 | 0 | 0 | 0 | 111.5 | ||||
| 1324 | S | 27.1 | Very low | 28.6 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | trans | -83 | 118.3 | -171.3 | 63.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1325 | S | 29.6 | Very low | 28.9 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | trans | -122.5 | 14.8 | 166.9 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | F1327 | S1325-F1327 WeakPolarHBondContact O-CD2 3.36Å; S1325-F1327 PolarHBondContact O-N 3.09Å | ||
| 1326 | R | 31 | Very low | 28.9 | Very low | 194 Ų | 194 | 107.5 Ų | 107.5 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -69.5 | 95.8 | 179.3 | -167.1 | -177.2 | -63 | 176.5 | 2.7 | 110.5 | L1328 L1386 | R1326-L1328 PolarHBondContact O-N 2.94Å; R1326-L1386 HydrophobicContact CG-CD2 3.79Å | ||
| 1327 | F | 29.7 | Very low | 29.2 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 40% | 0.395 | 57% | 0.571 | S | S | . | * | trans | -64.7 | 88.5 | -176 | -75.6 | -72.4 | 0 | 0 | 0 | 113.4 | S1325 V1329 L1386 P1389 T1403 | S1325-F1327 WeakPolarHBondContact O-CD2 3.36Å; S1325-F1327 PolarHBondContact O-N 3.09Å; F1327-V1329 PolarHBondContact O-N 3.35Å; F1327-L1386 WeakPolarHBondContact O-CD2 3.41Å; F1327-P1389 HydrophobicContact CD2-CB 4.38Å; F1327-T1403 HydrophobicContact CD1-CG2 4.42Å; F1327-T1403 VanDerWaalsContact CD1-OG1 3.29Å; F1327-T1403 WeakPolarHBondContact CD1-OG1 3.26Å | ||
| 1328 | L | 28.5 | Very low | 29.5 | Very low | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.414 | 56% | 0.557 | S | S | . | * | trans | -85.2 | 94.3 | -165.5 | -149.8 | 163.3 | 0 | 0 | 0 | 113 | R1326 H1330 P1384 | R1326-L1328 PolarHBondContact O-N 2.94Å; L1328-H1330 VanDerWaalsContact C-N 3.3Å; L1328-H1330 HydrophobicContact CD2-CB 4.4Å; L1328-H1330 PolarHBondContact O-N 3.11Å; L1328-P1384 HydrophobicContact CD2-CG 4.31Å | ||
| 1329 | V | 28.7 | Very low | 29.8 | Very low | 39 Ų | 39 | 96.8 Ų | 96.8 | 24% | 0.236 | 55% | 0.545 | C | S | . | . | trans | -74.9 | 76.3 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | F1327 R1331 P1384 P1387 R1408 | F1327-V1329 PolarHBondContact O-N 3.35Å; V1329-R1331 PolarHBondContact O-N 2.88Å; V1329-P1384 WeakPolarHBondContact O-CB 3.38Å; V1329-P1384 VanDerWaalsContact O-CG 3.3Å; V1329-P1384 WeakPolarHBondContact O-CG 3.48Å; V1329-P1387 HydrophobicContact CG2-CG 4.3Å; V1329-R1408 HydrophobicContact CG1-CG 4.47Å | ||
| 1330 | H | 27.5 | Very low | 30.1 | Very low | 117 Ų | 117 | 91.7 Ų | 91.7 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | trans | -57.1 | 101.6 | 172.7 | -74.1 | -73.2 | 0 | 0 | 0 | 111 | L1328 R1408 | L1328-H1330 VanDerWaalsContact C-N 3.3Å; L1328-H1330 HydrophobicContact CD2-CB 4.4Å; L1328-H1330 PolarHBondContact O-N 3.11Å; H1330-R1408 VanDerWaalsContact N-NH1 3.13Å; H1330-R1408 WeakPolarHBondContact O-CD 3.35Å | ||
| 1331 | R | 35.2 | Very low | 30.4 | Very low | 18 Ų | 18 | 87.6 Ų | 87.6 | 7% | 0.068 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | -76.5 | 125.8 | 126.9 | -95 | -159.7 | -174.4 | 146.4 | -7.5 | 106.6 | E1263 E1264 V1329 W1383 P1384 | E1263-R1331 IonicContact OE2-CZ 2.7Å; E1263-R1331 IonicContact OE2-NH1 2.62Å; E1263-R1331 PolarHBondContact OE2-NH1 2.81Å; E1263-R1331 IonicContact OE2-NH2 2.67Å; E1264-R1331 IonicContact OE1-CZ 3.15Å; E1264-R1331 IonicContact OE1-NE 2.76Å; E1264-R1331 PolarHBondContact OE1-NE 2.97Å; E1264-R1331 IonicContact OE1-NH2 2.77Å; E1264-R1331 PolarHBondContact OE1-NH2 3.01Å; V1329-R1331 PolarHBondContact O-N 2.88Å; R1331-W1383 HydrophobicContact CB-CE3 4.28Å; R1331-W1383 HydrophobicContact CB-CZ3 4.35Å; R1331-W1383 HydrophobicContact CG-CZ3 4.25Å; R1331-P1384 HydrophobicContact CB-CB 4.37Å | |
| 1332 | P | 25.1 | Very low | 30.4 | Very low | 99 Ų | 99 | 91.9 Ų | 91.9 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 132.5 | 140.4 | 30.4 | -29.7 | 0 | 0 | 0 | 106.9 | ||
| 1333 | P | 28.4 | Very low | 30.7 | Very low | 46 Ų | 46 | 88.6 Ų | 88.6 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 144.2 | 157.1 | -8.7 | 22.5 | 0 | 0 | 0 | 107.5 | S1335 W1337 | P1333-S1335 PolarHBondContact O-N 3.38Å; P1333-W1337 HydrophobicContact CB-CB 3.83Å |
| 1334 | P | 30.1 | Very low | 30.8 | Very low | 50 Ų | 50 | 84.1 Ų | 84.1 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 142.4 | 159.2 | 26.3 | -31.5 | 0 | 0 | 0 | 108 | R1267 G1336 W1337 | R1267-P1334 HydrophobicContact CG-CG 4.2Å; P1334-G1336 PolarHBondContact O-N 3.42Å; P1334-W1337 HydrophobicContact CG-CB 3.81Å; P1334-W1337 HydrophobicContact CG-CD2 3.98Å; P1334-W1337 HydrophobicContact CG-CE3 4.2Å; P1334-W1337 HydrophobicContact CG-CG 3.76Å; P1334-W1337 WeakPolarHBondContact O-CB 3.37Å; P1334-W1337 PolarHBondContact O-N 3.45Å |
| 1335 | S | 33.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 83.4 Ų | 83.4 | 92% | 0.916 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 108.7 | -175.9 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | P1333 | P1333-S1335 PolarHBondContact O-N 3.38Š|
| 1336 | G | 29.7 | Very low | 30.8 | Very low | 19 Ų | 19 | 83 Ų | 83 | 20% | 0.196 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 123.7 | -11.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1334 T1339 V1343 | P1334-G1336 PolarHBondContact O-N 3.42Å; G1336-T1339 WeakPolarHBondContact CA-OG1 3.3Å; G1336-T1339 CarbonylContact O-C 3.08Å; G1336-T1339 PolarHBondContact O-OG1 3.07Å; G1336-V1343 VanDerWaalsContact O-CG2 3.23Å; G1336-V1343 WeakPolarHBondContact O-CG2 3.4Å |
| 1337 | W | 32.8 | Very low | 30.8 | Very low | 76 Ų | 76 | 80.2 Ų | 80.2 | 29% | 0.288 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -103.1 | -16.9 | -170.1 | -100.8 | 33.5 | 0 | 0 | 0 | 117.7 | E1263 L1266 P1333 P1334 T1339 S1340 | E1263-W1337 HydrophobicContact CB-CH2 4.14Å; E1263-W1337 HydrophobicContact CB-CZ3 3.73Å; E1263-W1337 HydrophobicContact CG-CH2 3.99Å; E1263-W1337 HydrophobicContact CG-CZ3 3.72Å; L1266-W1337 HydrophobicContact CB-CH2 3.46Å; L1266-W1337 VanDerWaalsContact CB-CH2 3.46Å; L1266-W1337 HydrophobicContact CB-CZ2 3.34Å; L1266-W1337 HydrophobicContact CD1-CH2 3.83Å; L1266-W1337 HydrophobicContact CD1-CZ2 3.67Å; L1266-W1337 HydrophobicContact CG-CH2 4.26Å; L1266-W1337 HydrophobicContact CG-CZ2 4.13Å; P1333-W1337 HydrophobicContact CB-CB 3.83Å; P1334-W1337 HydrophobicContact CG-CB 3.81Å; P1334-W1337 HydrophobicContact CG-CD2 3.98Å; P1334-W1337 HydrophobicContact CG-CE3 4.2Å; P1334-W1337 HydrophobicContact CG-CG 3.76Å; P1334-W1337 WeakPolarHBondContact O-CB 3.37Å; P1334-W1337 PolarHBondContact O-N 3.45Å; W1337-T1339 PolarHBondContact O-N 3.39Å; W1337-S1340 PolarHBondContact O-OG 2.88Å |
| 1338 | S | 34.5 | Very low | 30.9 | Very low | 91 Ų | 91 | 83.1 Ų | 83.1 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 6 | 157.4 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1339 | T | 32.6 | Very low | 31 | Very low | 63 Ų | 63 | 86 Ų | 86 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 39.7 | -179.3 | 49 | 0 | 0 | 0 | 0 | 111.2 | G1336 W1337 A1341 R1342 V1343 | G1336-T1339 WeakPolarHBondContact CA-OG1 3.3Å; G1336-T1339 CarbonylContact O-C 3.08Å; G1336-T1339 PolarHBondContact O-OG1 3.07Å; W1337-T1339 PolarHBondContact O-N 3.39Å; T1339-A1341 PolarHBondContact O-N 2.71Å; T1339-R1342 PolarHBondContact O-N 3.5Å; T1339-V1343 PolarHBondContact O-N 3.35Å |
| 1340 | S | 34.6 | Very low | 31.1 | Very low | 52 Ų | 52 | 90.2 Ų | 90.2 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -9.7 | 175.6 | -59 | 0 | 0 | 0 | 0 | 114.4 | W1337 | W1337-S1340 PolarHBondContact O-OG 2.88Š|
| 1341 | A | 33.4 | Very low | 31.2 | Very low | 76 Ų | 76 | 91.5 Ų | 91.5 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 1.9 | 169 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1339 S1369 | T1339-A1341 PolarHBondContact O-N 2.71Å; A1341-S1369 PolarHBondContact O-OG 2.87Å |
| 1342 | R | 28.4 | Very low | 30.8 | Very low | 190 Ų | 190 | 96 Ų | 96 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | -27.7 | -178.2 | -72.6 | -169.3 | 175.4 | 179.7 | -1.5 | 116.5 | T1339 I1344 E1345 | T1339-R1342 PolarHBondContact O-N 3.5Å; R1342-I1344 PolarHBondContact O-N 2.75Å; R1342-I1344 VanDerWaalsContact O-N 3.07Å; R1342-E1345 PolarHBondContact O-N 3.47Å; R1342-E1345 VanDerWaalsContact O-N 3.15Å |
| 1343 | V | 33.4 | Very low | 30.9 | Very low | 76 Ų | 76 | 102 Ų | 102 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | 3.7 | -172.3 | 174.4 | 0 | 0 | 0 | 0 | 114.1 | G1336 T1339 | G1336-V1343 VanDerWaalsContact O-CG2 3.23Å; G1336-V1343 WeakPolarHBondContact O-CG2 3.4Å; T1339-V1343 PolarHBondContact O-N 3.35Å |
| 1344 | I | 34.2 | Very low | 30.9 | Very low | 74 Ų | 74 | 103 Ų | 103 | 38% | 0.379 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | -15.5 | 169.8 | -54.4 | -177.5 | 0 | 0 | 0 | 112 | R1342 L1368 | R1342-I1344 PolarHBondContact O-N 2.75Å; R1342-I1344 VanDerWaalsContact O-N 3.07Å; I1344-L1368 HydrophobicContact CG2-CB 4.36Å; I1344-L1368 HydrophobicContact CG2-CD2 4.02Å; I1344-L1368 WeakPolarHBondContact CG2-O 3.49Å |
| 1345 | E | 28.6 | Very low | 31 | Very low | 89 Ų | 89 | 107.2 Ų | 107.2 | 42% | 0.416 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -101.7 | -2.3 | 179.2 | -101.5 | 174.6 | -167.4 | 0 | 0 | 115.2 | R1342 L1367 L1368 S1369 | R1342-E1345 PolarHBondContact O-N 3.47Å; R1342-E1345 VanDerWaalsContact O-N 3.15Å; E1345-L1367 VanDerWaalsContact CG-O 3.3Å; E1345-L1367 WeakPolarHBondContact CG-O 3.3Å; E1345-L1367 VanDerWaalsContact OE1-C 3.29Å; E1345-L1368 PolarHBondContact OE1-N 2.95Å; E1345-S1369 VanDerWaalsContact CD-CB 3.46Å; E1345-S1369 PolarHBondContact OE1-N 3.32Å; E1345-S1369 PolarHBondContact OE2-OG 3.25Å |
| 1346 | A | 26.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 106.6 Ų | 106.6 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | trans | -105.5 | 42.2 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1347 | E | 30.9 | Very low | 30.6 | Very low | 135 Ų | 135 | 112.5 Ų | 112.5 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | trans | -118.1 | 62.5 | 163.2 | -74.7 | -162.9 | 147.8 | 0 | 0 | 111.3 | R1272 | R1272-E1347 IonicContact CZ-OE1 3.72Å; R1272-E1347 IonicContact NH2-OE1 3.66Å; R1272-E1347 PolarHBondContact NH2-OE1 3.39Å; R1272-E1347 IonicContact NH2-OE2 3.37Å | ||
| 1348 | N | 31.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 113 Ų | 113 | 81% | 0.807 | 66% | 0.657 | S | S | * | * | trans | -106.8 | 141.4 | 167.2 | -91.4 | -48.5 | 0 | 0 | 0 | 111.1 | ||||
| 1349 | N | 31.5 | Very low | 29.7 | Very low | 138 Ų | 138 | 114.6 Ų | 114.6 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | -51.5 | 127.8 | -167.3 | -94.8 | -44.3 | 0 | 0 | 0 | 115.5 | N1351 | N1349-N1351 HydrophobicContact CB-CB 4.45Å; N1349-N1351 PolarHBondContact O-N 3.18Å | ||
| 1350 | P | 31.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 83% | 0.831 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -80.5 | 59.6 | 163.8 | 35.7 | -34.9 | 0 | 0 | 0 | 110.5 | ||
| 1351 | N | 28 | Very low | 28.8 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | -151.6 | 43.3 | -174 | -113.2 | -19.6 | 0 | 0 | 0 | 114.7 | N1349 | N1349-N1351 HydrophobicContact CB-CB 4.45Å; N1349-N1351 PolarHBondContact O-N 3.18Å | ||
| 1352 | S | 28.3 | Very low | 28.3 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -149.3 | 119.8 | 159.2 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1353 | F | 27.2 | Very low | 28.1 | Very low | 224 Ų | 224 | 129.3 Ų | 129.3 | 98% | 0.982 | 72% | 0.724 | S | S | * | * | trans | -90.8 | 127.9 | 162.5 | -90.6 | -101 | 0 | 0 | 0 | 108 | ||||
| 1354 | G | 28.6 | Very low | 27.6 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | 177.4 | 71.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1355 | V | 31.5 | Very low | 27.1 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | 48.4 | 141.1 | 140.8 | -172.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1356 | T | 28.3 | Very low | 27 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -39.6 | 156.2 | 168.8 | 49.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1357 | D | 25.6 | Very low | 27 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -159.2 | -154.9 | 49.4 | -142.9 | -52.1 | 0 | 0 | 0 | 114.7 | ||||
| 1358 | S | 23.6 | Very low | 27 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | trans | -119.2 | 155.6 | -146.2 | 58.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1359 | T | 25.3 | Very low | 26.7 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | 80.7 | 144.5 | 162.5 | 77.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1360 | K | 24.6 | Very low | 26.7 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | 59.2 | 102 | 168.2 | -64.2 | 179 | -178.8 | 173.5 | 0 | 118.5 | ||||
| 1361 | C | 23.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 92% | 0.919 | 73% | 0.73 | S | S | * | * | -154.8 | 159.8 | 127.5 | -130.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1362 | K | 22.9 | Very low | 28.2 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -109 | 154.8 | 169.1 | -74.1 | -175.8 | 175.2 | -178.1 | 0 | 109.2 | ||||
| 1363 | H | 24.3 | Very low | 29.5 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.787 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 76.9 | 138.2 | 172.4 | -66.4 | -83.1 | 0 | 0 | 0 | 118.8 | ||
| 1364 | N | 23.9 | Very low | 31 | Very low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | trans | 78 | 66.8 | 152.8 | -58.8 | -1.6 | 0 | 0 | 0 | 120.7 | ||||
| 1365 | S | 23.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | trans | -147.2 | 122.2 | 143.5 | 56.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1366 | L | 26.7 | Very low | 34.2 | Very low | 149 Ų | 149 | 108.6 Ų | 108.6 | 78% | 0.78 | 60% | 0.598 | S | S | * | * | 60.7 | 119.7 | 65.6 | -55.1 | 164.1 | 0 | 0 | 0 | 111.7 | |||||
| 1367 | L | 27.1 | Very low | 36.2 | Very low | 123 Ų | 123 | 103 Ų | 103 | 64% | 0.644 | 56% | 0.564 | S | S | * | * | cis | -166.2 | 131.8 | -7.1 | -114.9 | 167.1 | 0 | 0 | 0 | 108.3 | E1345 | E1345-L1367 VanDerWaalsContact CG-O 3.3Å; E1345-L1367 WeakPolarHBondContact CG-O 3.3Å; E1345-L1367 VanDerWaalsContact OE1-C 3.29Å | ||
| 1368 | L | 30 | Very low | 38.2 | Very low | 90 Ų | 90 | 96.2 Ų | 96.2 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | S | Bend | trans | 94.1 | 20.2 | 159.1 | -107.2 | 85.3 | 0 | 0 | 0 | 124.3 | I1344 E1345 K1529 | I1344-L1368 HydrophobicContact CG2-CB 4.36Å; I1344-L1368 HydrophobicContact CG2-CD2 4.02Å; I1344-L1368 WeakPolarHBondContact CG2-O 3.49Å; E1345-L1368 PolarHBondContact OE1-N 2.95Å; L1368-K1529 VanDerWaalsContact CD2-NZ 3.28Å |
| 1369 | S | 25.1 | Very low | 40.3 | Very low | 39 Ų | 39 | 92.1 Ų | 92.1 | 27% | 0.273 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -127 | 20.5 | 163.6 | 111.9 | 0 | 0 | 0 | 0 | 117.6 | A1341 E1345 | A1341-S1369 PolarHBondContact O-OG 2.87Å; E1345-S1369 VanDerWaalsContact CD-CB 3.46Å; E1345-S1369 PolarHBondContact OE1-N 3.32Å; E1345-S1369 PolarHBondContact OE2-OG 3.25Å |
| 1370 | S | 31 | Very low | 41.7 | Very low | 99 Ų | 99 | 91.5 Ų | 91.5 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -119.7 | 147.7 | 143.3 | 60.2 | 0 | 0 | 0 | 0 | 107.1 | ||
| 1371 | T | 40.9 | Very low | 43.1 | Very low | 99 Ų | 99 | 83.8 Ų | 83.8 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | S | Bend | cis | -141.5 | -13.9 | 35.7 | 14.9 | 0 | 0 | 0 | 0 | 116.6 | D1373 E1584 | T1371-D1373 PolarHBondContact O-N 3.27Å; T1371-D1373 VanDerWaalsContact O-N 3.16Å; T1371-E1584 VanDerWaalsContact CB-OE2 3.3Å; T1371-E1584 WeakPolarHBondContact CB-OE2 3.25Å; T1371-E1584 PolarHBondContact N-OE1 2.88Å; T1371-E1584 VanDerWaalsContact OG1-CD 3.25Å; T1371-E1584 PolarHBondContact OG1-OE1 3.12Å; T1371-E1584 VanDerWaalsContact OG1-OE1 3.13Å; T1371-E1584 PolarHBondContact OG1-OE2 2.77Å |
| 1372 | L | 49.8 | Very low | 44 | Very low | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.199 | 44% | 0.441 | C | S | . | . | trans | -69.7 | 105.6 | -173 | -172.3 | 69.8 | 0 | 0 | 0 | 114.6 | W1374 L1522 I1583 E1584 L1587 | L1372-W1374 PolarHBondContact O-N 3.46Å; L1372-L1522 HydrophobicContact CD2-CD1 3.93Å; L1372-L1522 HydrophobicContact CD2-CD2 3.59Å; L1372-L1522 HydrophobicContact CD2-CG 4.44Å; L1372-I1583 HydrophobicContact CD2-CG2 4.44Å; L1372-E1584 HydrophobicContact CB-CG 3.85Å; L1372-E1584 WeakPolarHBondContact CB-OE1 3.49Å; L1372-E1584 HydrophobicContact CD1-CG 3.76Å; L1372-E1584 HydrophobicContact CG-CG 4.33Å; L1372-E1584 PolarHBondContact N-OE1 2.86Å; L1372-L1587 HydrophobicContact CD1-CD2 3.67Å | ||
| 1373 | D | 56.4 | Low | 45 | Very low | 75 Ų | 75 | 76.4 Ų | 76.4 | 40% | 0.401 | 42% | 0.418 | S | S | . | . | trans | -74.3 | 117.9 | 165.2 | 168.2 | 38.5 | 0 | 0 | 0 | 111.3 | T1371 N1375 C1376 | T1371-D1373 PolarHBondContact O-N 3.27Å; T1371-D1373 VanDerWaalsContact O-N 3.16Å; D1373-N1375 VanDerWaalsContact C-N 3.28Å; D1373-N1375 PolarHBondContact O-N 3.44Å; D1373-N1375 PolarHBondContact OD1-N 3.14Å; D1373-N1375 PolarHBondContact OD1-ND2 3.26Å; D1373-C1376 VanDerWaalsContact O-CB 3.26Å; D1373-C1376 WeakPolarHBondContact O-CB 3.48Å; D1373-C1376 PolarHBondContact O-N 2.9Å; D1373-C1376 PolarHBondContact OD2-SG 3.16Å | ||
| 1374 | W | 59 | Low | 45.9 | Very low | 79 Ų | 79 | 69.3 Ų | 69.3 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.8 | -175.1 | -64 | 75.4 | 0 | 0 | 0 | 113.1 | L1372 C1376 L1377 T1378 Y1519 L1522 | L1372-W1374 PolarHBondContact O-N 3.46Å; W1374-C1376 PolarHBondContact O-N 2.7Å; W1374-L1377 PolarHBondContact O-N 3.48Å; W1374-T1378 PolarHBondContact O-N 3.26Å; W1374-T1378 PolarHBondContact O-OG1 3.33Å; W1374-Y1519 HydrophobicContact CE3-CE2 4.29Å; W1374-Y1519 HydrophobicContact CZ3-CE2 4.34Å; W1374-L1522 HydrophobicContact CE3-CD2 3.81Å; W1374-L1522 HydrophobicContact CH2-CD1 4.22Å; W1374-L1522 HydrophobicContact CH2-CD2 3.57Å; W1374-L1522 HydrophobicContact CH2-CG 3.71Å; W1374-L1522 HydrophobicContact CZ2-CD2 4.31Å; W1374-L1522 HydrophobicContact CZ3-CD2 3.29Å; W1374-L1522 HydrophobicContact CZ3-CG 3.81Å |
| 1375 | N | 62 | Low | 47.1 | Very low | 50 Ų | 50 | 63.1 Ų | 63.1 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -26.9 | 175.9 | -60.3 | -71.6 | 0 | 0 | 0 | 111.8 | D1373 L1377 T1378 G1379 F1381 | D1373-N1375 VanDerWaalsContact C-N 3.28Å; D1373-N1375 PolarHBondContact O-N 3.44Å; D1373-N1375 PolarHBondContact OD1-N 3.14Å; D1373-N1375 PolarHBondContact OD1-ND2 3.26Å; N1375-L1377 VanDerWaalsContact C-N 3.28Å; N1375-L1377 PolarHBondContact O-N 3.36Å; N1375-T1378 WeakPolarHBondContact CA-OG1 3.26Å; N1375-T1378 PolarHBondContact O-N 2.88Å; N1375-G1379 CarbonylContact O-C 3.59Å; N1375-G1379 VanDerWaalsContact O-C 3.28Å; N1375-G1379 WeakPolarHBondContact O-CA 3.19Å; N1375-G1379 PolarHBondContact O-N 3.17Å; N1375-F1381 PolarHBondContact OD1-N 3.18Å |
| 1376 | C | 64 | Low | 48.2 | Very low | 22 Ų | 22 | 60.9 Ų | 60.9 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -30.5 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 113.1 | D1373 W1374 L1587 K1591 | D1373-C1376 VanDerWaalsContact O-CB 3.26Å; D1373-C1376 WeakPolarHBondContact O-CB 3.48Å; D1373-C1376 PolarHBondContact O-N 2.9Å; D1373-C1376 PolarHBondContact OD2-SG 3.16Å; W1374-C1376 PolarHBondContact O-N 2.7Å; C1376-L1587 HydrophobicContact CB-CD2 3.53Å; C1376-L1587 HydrophobicContact CB-CG 4.19Å; C1376-K1591 WeakPolarHBondContact SG-CE 3.42Å; C1376-K1591 PolarHBondContact SG-NZ 3.28Å |
| 1377 | L | 70.3 | Confident | 49.2 | Very low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.4 | -43.3 | 173 | -82 | 167.2 | 0 | 0 | 0 | 112.2 | L1254 W1374 N1375 R1515 L1518 Y1519 L1522 I1583 L1587 | L1254-L1377 HydrophobicContact CD1-CB 4.4Å; L1254-L1377 WeakPolarHBondContact CD1-O 3.44Å; L1254-L1377 WeakPolarHBondContact CG-O 3.32Å; W1374-L1377 PolarHBondContact O-N 3.48Å; N1375-L1377 VanDerWaalsContact C-N 3.28Å; N1375-L1377 PolarHBondContact O-N 3.36Å; L1377-R1515 HydrophobicContact CD2-CG 4.2Å; L1377-R1515 WeakPolarHBondContact O-CD 3.41Å; L1377-R1515 WeakPolarHBondContact O-CG 3.27Å; L1377-R1515 PolarHBondContact O-NE 3.46Å; L1377-L1518 HydrophobicContact CD2-CB 3.86Å; L1377-Y1519 HydrophobicContact CB-CD2 4.48Å; L1377-Y1519 HydrophobicContact CD1-CD2 4.36Å; L1377-L1522 HydrophobicContact CD1-CD2 3.55Å; L1377-I1583 HydrophobicContact CD1-CG2 4.33Å; L1377-L1587 HydrophobicContact CD1-CD2 4.47Å; L1377-L1587 HydrophobicContact CD2-CD1 3.75Å; L1377-L1587 HydrophobicContact CD2-CD2 4.34Å; L1377-L1587 HydrophobicContact CG-CD1 4.03Å; L1377-L1587 HydrophobicContact CG-CD2 3.79Å |
| 1378 | T | 69.2 | Low | 50.2 | Low | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -87.2 | -17.7 | -172 | 50 | 0 | 0 | 0 | 0 | 114.6 | L1252 R1253 L1254 I1259 W1374 N1375 F1381 Y1519 | L1252-T1378 CarbonylContact C-O 3.55Å; L1252-T1378 WeakPolarHBondContact CA-O 3.46Å; R1253-T1378 PolarHBondContact N-O 3.1Å; L1254-T1378 HydrophobicContact CD1-CG2 4.15Å; I1259-T1378 HydrophobicContact CD1-CG2 4.05Å; I1259-T1378 HydrophobicContact CG1-CG2 4.36Å; W1374-T1378 PolarHBondContact O-N 3.26Å; W1374-T1378 PolarHBondContact O-OG1 3.33Å; N1375-T1378 WeakPolarHBondContact CA-OG1 3.26Å; N1375-T1378 PolarHBondContact O-N 2.88Å; T1378-F1381 HydrophobicContact CG2-CE1 3.87Å; T1378-F1381 HydrophobicContact CG2-CZ 3.98Å; T1378-F1381 WeakPolarHBondContact OG1-CD1 3.41Å; T1378-F1381 WeakPolarHBondContact OG1-CE1 3.5Å; T1378-Y1519 HydrophobicContact CG2-CE2 4.18Å |
| 1379 | G | 66.3 | Low | 50.9 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | 80.9 | 163.7 | -154.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1251 N1375 F1381 | H1251-G1379 WeakPolarHBondContact O-CA 3.44Å; N1375-G1379 CarbonylContact O-C 3.59Å; N1375-G1379 VanDerWaalsContact O-C 3.28Å; N1375-G1379 WeakPolarHBondContact O-CA 3.19Å; N1375-G1379 PolarHBondContact O-N 3.17Å; G1379-F1381 WeakPolarHBondContact O-CD1 3.47Å; G1379-F1381 PolarHBondContact O-N 3.48Å | ||
| 1380 | D | 56 | Low | 51.9 | Low | 111 Ų | 111 | 52.4 Ų | 52.4 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -67.2 | 118.2 | 179.2 | -61.9 | -60.8 | 0 | 0 | 0 | 110.9 | H1251 | H1251-D1380 WeakPolarHBondContact CB-O 3.44Š|
| 1381 | F | 53.8 | Low | 52.6 | Low | 40 Ų | 40 | 52.3 Ų | 52.3 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | trans | -152.3 | 125.3 | 179.6 | 78.7 | -46.2 | 0 | 0 | 0 | 112.9 | L1252 I1259 N1375 T1378 G1379 W1383 I1385 | L1252-F1381 HydrophobicContact CD2-CB 4.27Å; L1252-F1381 HydrophobicContact CD2-CD2 3.96Å; L1252-F1381 HydrophobicContact CD2-CG 4.13Å; I1259-F1381 HydrophobicContact CG2-CE2 4.21Å; I1259-F1381 HydrophobicContact CG2-CZ 4.45Å; N1375-F1381 PolarHBondContact OD1-N 3.18Å; T1378-F1381 HydrophobicContact CG2-CE1 3.87Å; T1378-F1381 HydrophobicContact CG2-CZ 3.98Å; T1378-F1381 WeakPolarHBondContact OG1-CD1 3.41Å; T1378-F1381 WeakPolarHBondContact OG1-CE1 3.5Å; G1379-F1381 WeakPolarHBondContact O-CD1 3.47Å; G1379-F1381 PolarHBondContact O-N 3.48Å; F1381-W1383 HydrophobicContact CD2-CZ2 4.49Å; F1381-W1383 AromaticContact CE2-CE2 3.63Å; F1381-W1383 AromaticContact CE2-CZ2 3.63Å; F1381-W1383 HydrophobicContact CE2-CZ2 3.63Å; F1381-W1383 AromaticContact CE2-NE1 3.32Å; F1381-W1383 VanDerWaalsContact CE2-NE1 3.32Å; F1381-W1383 HydrophobicContact CZ-CZ2 4.35Å; F1381-W1383 AromaticContact CZ-NE1 3.4Å; F1381-I1385 HydrophobicContact CD2-CD1 3.97Å; F1381-I1385 HydrophobicContact CD2-CG1 3.86Å; F1381-I1385 HydrophobicContact CD2-CG2 4.35Å; F1381-I1385 HydrophobicContact CE2-CD1 3.96Å; F1381-I1385 HydrophobicContact CE2-CG1 4.07Å | ||
| 1382 | S | 42.2 | Very low | 52.5 | Low | 81 Ų | 81 | 52.2 Ų | 52.2 | 57% | 0.566 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 136.9 | 173.4 | 61.3 | 0 | 0 | 0 | 0 | 111 | P1384 I1385 | S1382-P1384 CarbonylContact O-C 3.59Å; S1382-I1385 PolarHBondContact O-N 3.22Å |
| 1383 | W | 42.7 | Very low | 52.1 | Low | 82 Ų | 82 | 55.5 Ų | 55.5 | 31% | 0.311 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -80 | 136.8 | 167.6 | -85.9 | 93.5 | 0 | 0 | 0 | 112.2 | I1259 E1263 R1331 F1381 I1385 | I1259-W1383 HydrophobicContact CG2-CZ2 4.34Å; E1263-W1383 WeakPolarHBondContact OE1-CZ2 3.41Å; E1263-W1383 PolarHBondContact OE1-NE1 2.94Å; E1263-W1383 WeakPolarHBondContact OE2-CH2 3.08Å; E1263-W1383 WeakPolarHBondContact OE2-CZ2 3.43Å; R1331-W1383 HydrophobicContact CB-CE3 4.28Å; R1331-W1383 HydrophobicContact CB-CZ3 4.35Å; R1331-W1383 HydrophobicContact CG-CZ3 4.25Å; F1381-W1383 HydrophobicContact CD2-CZ2 4.49Å; F1381-W1383 AromaticContact CE2-CE2 3.63Å; F1381-W1383 AromaticContact CE2-CZ2 3.63Å; F1381-W1383 HydrophobicContact CE2-CZ2 3.63Å; F1381-W1383 AromaticContact CE2-NE1 3.32Å; F1381-W1383 VanDerWaalsContact CE2-NE1 3.32Å; F1381-W1383 HydrophobicContact CZ-CZ2 4.35Å; F1381-W1383 AromaticContact CZ-NE1 3.4Å; W1383-I1385 HydrophobicContact CD2-CG1 4.43Å; W1383-I1385 HydrophobicContact CE3-CG1 4.32Å; W1383-I1385 HydrophobicContact CH2-CD1 3.54Å; W1383-I1385 HydrophobicContact CH2-CG1 3.26Å; W1383-I1385 HydrophobicContact CZ2-CD1 3.65Å; W1383-I1385 HydrophobicContact CZ2-CG1 3.46Å; W1383-I1385 VanDerWaalsContact CZ2-CG1 3.46Å; W1383-I1385 HydrophobicContact CZ3-CD1 4.45Å; W1383-I1385 HydrophobicContact CZ3-CG1 3.74Å |
| 1384 | P | 43.3 | Very low | 51.1 | Low | 20 Ų | 20 | 53.5 Ų | 53.5 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | S | Bend | cis | -74.1 | 146.2 | -5.1 | 32.8 | -35.4 | 0 | 0 | 0 | 112.6 | L1328 V1329 R1331 S1382 L1386 | L1328-P1384 HydrophobicContact CD2-CG 4.31Å; V1329-P1384 WeakPolarHBondContact O-CB 3.38Å; V1329-P1384 VanDerWaalsContact O-CG 3.3Å; V1329-P1384 WeakPolarHBondContact O-CG 3.48Å; R1331-P1384 HydrophobicContact CB-CB 4.37Å; S1382-P1384 CarbonylContact O-C 3.59Å; P1384-L1386 WeakPolarHBondContact O-CB 3.4Å; P1384-L1386 PolarHBondContact O-N 3.41Å |
| 1385 | I | 49.4 | Very low | 50.1 | Low | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | trans | -52.4 | 109.2 | 178.4 | -34.8 | -173.1 | 0 | 0 | 0 | 108.3 | F1249 F1381 S1382 W1383 P1387 | F1249-I1385 HydrophobicContact CD1-CG2 3.46Å; F1249-I1385 VanDerWaalsContact CD1-CG2 3.46Å; F1249-I1385 HydrophobicContact CE1-CB 4.15Å; F1249-I1385 HydrophobicContact CE1-CG2 3.45Å; F1249-I1385 VanDerWaalsContact CE1-CG2 3.45Å; F1249-I1385 HydrophobicContact CZ-CG2 4.5Å; F1381-I1385 HydrophobicContact CD2-CD1 3.97Å; F1381-I1385 HydrophobicContact CD2-CG1 3.86Å; F1381-I1385 HydrophobicContact CD2-CG2 4.35Å; F1381-I1385 HydrophobicContact CE2-CD1 3.96Å; F1381-I1385 HydrophobicContact CE2-CG1 4.07Å; S1382-I1385 PolarHBondContact O-N 3.22Å; W1383-I1385 HydrophobicContact CD2-CG1 4.43Å; W1383-I1385 HydrophobicContact CE3-CG1 4.32Å; W1383-I1385 HydrophobicContact CH2-CD1 3.54Å; W1383-I1385 HydrophobicContact CH2-CG1 3.26Å; W1383-I1385 HydrophobicContact CZ2-CD1 3.65Å; W1383-I1385 HydrophobicContact CZ2-CG1 3.46Å; W1383-I1385 VanDerWaalsContact CZ2-CG1 3.46Å; W1383-I1385 HydrophobicContact CZ3-CD1 4.45Å; W1383-I1385 HydrophobicContact CZ3-CG1 3.74Å; I1385-P1387 VanDerWaalsContact O-CD 3.29Å; I1385-P1387 WeakPolarHBondContact O-CD 3.48Å | ||
| 1386 | L | 46.6 | Very low | 48.8 | Very low | 58 Ų | 58 | 57.3 Ų | 57.3 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | trans | -104.7 | 99.7 | -164.9 | -122.5 | 165.5 | 0 | 0 | 0 | 106.6 | R1326 F1327 P1384 | R1326-L1386 HydrophobicContact CG-CD2 3.79Å; F1327-L1386 WeakPolarHBondContact O-CD2 3.41Å; P1384-L1386 WeakPolarHBondContact O-CB 3.4Å; P1384-L1386 PolarHBondContact O-N 3.41Å | ||
| 1387 | P | 48.7 | Very low | 47.4 | Very low | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -74 | 135.6 | -166.8 | 30.7 | -36.4 | 0 | 0 | 0 | 110.7 | R1248 F1249 V1329 I1385 | R1248-P1387 HydrophobicContact CG-CB 3.65Å; R1248-P1387 VanDerWaalsContact CZ-CB 3.48Å; R1248-P1387 PolarHBondContact NH1-O 3.3Å; R1248-P1387 WeakPolarHBondContact O-CA 3.44Å; F1249-P1387 HydrophobicContact CD1-CB 4.31Å; F1249-P1387 HydrophobicContact CE1-CB 3.63Å; F1249-P1387 HydrophobicContact CZ-CB 4.03Å; V1329-P1387 HydrophobicContact CG2-CG 4.3Å; I1385-P1387 VanDerWaalsContact O-CD 3.29Å; I1385-P1387 WeakPolarHBondContact O-CD 3.48Å |
| 1388 | E | 47.8 | Very low | 45.8 | Very low | 102 Ų | 102 | 67.7 Ų | 67.7 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 123.1 | -173 | -74.7 | -157.6 | 115.3 | 0 | 0 | 112.1 | R1248 P1250 L1390 | R1248-E1388 VanDerWaalsContact NH1-C 3.28Å; R1248-E1388 PolarHBondContact NH1-O 2.64Å; R1248-E1388 PolarHBondContact O-N 3.46Å; P1250-E1388 VanDerWaalsContact CG-OE2 3.32Å; P1250-E1388 WeakPolarHBondContact CG-OE2 3.3Å; E1388-L1390 PolarHBondContact O-N 3.25Å |
| 1389 | P | 45.5 | Very low | 44.4 | Very low | 73 Ų | 73 | 70.2 Ų | 70.2 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 129.1 | -171 | 26 | -34 | 0 | 0 | 0 | 111.8 | F1327 | F1327-P1389 HydrophobicContact CD2-CB 4.38Š|
| 1390 | L | 44.9 | Very low | 42.9 | Very low | 41 Ų | 41 | 78.2 Ų | 78.2 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 130.6 | 178.5 | -54.7 | 168 | 0 | 0 | 0 | 109.7 | Y1247 V1302 E1388 L1392 | Y1247-L1390 HydrophobicContact CE1-CD2 3.51Å; V1302-L1390 HydrophobicContact CB-CD1 4.42Å; V1302-L1390 HydrophobicContact CG1-CD1 3.39Å; V1302-L1390 HydrophobicContact CG1-CD2 4.04Å; V1302-L1390 HydrophobicContact CG1-CG 4.33Å; E1388-L1390 PolarHBondContact O-N 3.25Å; L1390-L1392 VanDerWaalsContact C-N 3.32Å; L1390-L1392 PolarHBondContact O-N 3.1Å |
| 1391 | S | 45.1 | Very low | 42 | Very low | 96 Ų | 96 | 75.2 Ų | 75.2 | 67% | 0.671 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -68.8 | -30.7 | -177.6 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | Q1304 | Q1304-S1391 PolarHBondContact NE2-OG 3.22Å; Q1304-S1391 PolarHBondContact OE1-OG 3.21Å |
| 1392 | L | 40.6 | Very low | 41.3 | Very low | 98 Ų | 98 | 76.6 Ų | 76.6 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -133.6 | 144.2 | 156.5 | -78.9 | 93.3 | 0 | 0 | 0 | 110.9 | Q1304 L1390 | Q1304-L1392 HydrophobicContact CG-CB 4.42Å; Q1304-L1392 VanDerWaalsContact OE1-N 3.12Å; L1390-L1392 VanDerWaalsContact C-N 3.32Å; L1390-L1392 PolarHBondContact O-N 3.1Å |
| 1393 | P | 40.3 | Very low | 41.4 | Very low | 106 Ų | 106 | 74.3 Ų | 74.3 | 69% | 0.688 | 42% | 0.417 | S | S | * | . | trans | -72.2 | 140.5 | 164.6 | 31.7 | -33.1 | 0 | 0 | 0 | 110.4 | ||||
| 1394 | P | 36.5 | Very low | 41.3 | Very low | 34 Ų | 34 | 73.3 Ų | 73.3 | 22% | 0.221 | 43% | 0.427 | C | S | . | . | trans | -73.2 | 138.2 | -179.6 | 33.2 | -37.9 | 0 | 0 | 0 | 110.4 | V1302 E1396 | V1302-P1394 HydrophobicContact CB-CG 4.33Å; V1302-P1394 HydrophobicContact CG1-CG 3.52Å; V1302-P1394 HydrophobicContact CG2-CG 4.13Å; P1394-E1396 PolarHBondContact O-N 3.47Å | ||
| 1395 | A | 37.1 | Very low | 41.2 | Very low | 94 Ų | 94 | 79.5 Ų | 79.5 | 78% | 0.777 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -61.6 | -31.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1396 | E | 34.4 | Very low | 41.1 | Very low | 114 Ų | 114 | 79.8 Ų | 79.8 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -90.4 | -18.4 | -166.2 | -55.8 | -171.6 | 143.7 | 0 | 0 | 114.6 | P1394 | P1394-E1396 PolarHBondContact O-N 3.47Š|
| 1397 | Y | 35.8 | Very low | 41.5 | Very low | 132 Ų | 132 | 78 Ų | 78 | 52% | 0.518 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -118.2 | 64.8 | 170.6 | -78.8 | -79.2 | 0 | 0 | 0 | 110.5 | K1230 L1399 | K1230-Y1397 PolarHBondContact NZ-OH 3.06Å; Y1397-L1399 PolarHBondContact O-N 2.95Å |
| 1398 | V | 36.3 | Very low | 41.9 | Very low | 109 Ų | 109 | 81.2 Ų | 81.2 | 66% | 0.661 | 45% | 0.451 | S | S | * | . | trans | -50.8 | 114.1 | 156.5 | 174.5 | 0 | 0 | 0 | 0 | 107.8 | L1400 | V1398-L1400 PolarHBondContact O-N 3.4Š| ||
| 1399 | L | 38.7 | Very low | 43 | Very low | 54 Ų | 54 | 78 Ų | 78 | 28% | 0.283 | 44% | 0.439 | S | S | . | . | trans | -67.9 | 95.3 | 178.2 | -54.9 | 179.2 | 0 | 0 | 0 | 108.7 | I1299 Y1397 T1401 P1402 T1403 W1406 | I1299-L1399 HydrophobicContact CG1-CD2 4.5Å; I1299-L1399 HydrophobicContact CG2-CD1 4.45Å; I1299-L1399 HydrophobicContact CG2-CD2 3.43Å; I1299-L1399 VanDerWaalsContact CG2-CD2 3.43Å; Y1397-L1399 PolarHBondContact O-N 2.95Å; L1399-T1401 WeakPolarHBondContact CB-O 3.3Å; L1399-T1401 CarbonylContact O-C 3.43Å; L1399-T1401 PolarHBondContact O-N 3.32Å; L1399-P1402 VanDerWaalsContact O-CD 3.3Å; L1399-P1402 WeakPolarHBondContact O-CD 3.38Å; L1399-P1402 VanDerWaalsContact O-N 3.09Å; L1399-T1403 HydrophobicContact CD1-CG2 3.93Å; L1399-W1406 HydrophobicContact CD1-CZ2 3.85Å | ||
| 1400 | L | 34.8 | Very low | 44.6 | Very low | 168 Ų | 168 | 74.5 Ų | 74.5 | 88% | 0.88 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -55.4 | -21.6 | 177.5 | -66.6 | 174.1 | 0 | 0 | 0 | 112.5 | V1398 | V1398-L1400 PolarHBondContact O-N 3.4Š|
| 1401 | T | 37.6 | Very low | 46.2 | Very low | 49 Ų | 49 | 73.3 Ų | 73.3 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -109.3 | 106.9 | 150.7 | 48.5 | 0 | 0 | 0 | 0 | 110 | L1399 W1406 | L1399-T1401 WeakPolarHBondContact CB-O 3.3Å; L1399-T1401 CarbonylContact O-C 3.43Å; L1399-T1401 PolarHBondContact O-N 3.32Å; T1401-W1406 VanDerWaalsContact O-CD1 3.28Å; T1401-W1406 PolarHBondContact O-NE1 3.27Å |
| 1402 | P | 39.4 | Very low | 47.4 | Very low | 69 Ų | 69 | 70.4 Ų | 70.4 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | trans | -51 | 155 | 169.8 | -27.1 | 32.9 | 0 | 0 | 0 | 111.3 | L1399 A1404 Y1405 | L1399-P1402 VanDerWaalsContact O-CD 3.3Å; L1399-P1402 WeakPolarHBondContact O-CD 3.38Å; L1399-P1402 VanDerWaalsContact O-N 3.09Å; P1402-A1404 PolarHBondContact O-N 3.18Å; P1402-Y1405 HydrophobicContact CB-CD2 4.01Å; P1402-Y1405 HydrophobicContact CB-CE2 4.44Å; P1402-Y1405 HydrophobicContact CG-CD2 4.06Å; P1402-Y1405 HydrophobicContact CG-CE2 4.28Å; P1402-Y1405 WeakPolarHBondContact O-CA 3.45Å; P1402-Y1405 WeakPolarHBondContact O-CB 3.48Å; P1402-Y1405 PolarHBondContact O-N 3.13Å | ||
| 1403 | T | 43.6 | Very low | 48.8 | Very low | 32 Ų | 32 | 66 Ų | 66 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -51.1 | -32.6 | -172.9 | 46 | 0 | 0 | 0 | 0 | 114.2 | F1327 L1399 Y1405 W1406 | F1327-T1403 HydrophobicContact CD1-CG2 4.42Å; F1327-T1403 VanDerWaalsContact CD1-OG1 3.29Å; F1327-T1403 WeakPolarHBondContact CD1-OG1 3.26Å; L1399-T1403 HydrophobicContact CD1-CG2 3.93Å; T1403-Y1405 VanDerWaalsContact C-N 3.25Å; T1403-Y1405 PolarHBondContact O-N 3.29Å; T1403-W1406 HydrophobicContact CG2-CZ2 3.9Å; T1403-W1406 PolarHBondContact O-N 3.42Å |
| 1404 | A | 40.6 | Very low | 50.5 | Low | 62 Ų | 62 | 61.9 Ų | 61.9 | 51% | 0.512 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -56.4 | -34 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1402 R1408 | P1402-A1404 PolarHBondContact O-N 3.18Å; A1404-R1408 PolarHBondContact O-NH2 2.82Å |
| 1405 | Y | 41.3 | Very low | 52.1 | Low | 150 Ų | 150 | 67.5 Ų | 67.5 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -94.8 | 1.1 | -178.2 | -61 | -85.1 | 0 | 0 | 0 | 114.3 | P1402 T1403 R1416 | P1402-Y1405 HydrophobicContact CB-CD2 4.01Å; P1402-Y1405 HydrophobicContact CB-CE2 4.44Å; P1402-Y1405 HydrophobicContact CG-CD2 4.06Å; P1402-Y1405 HydrophobicContact CG-CE2 4.28Å; P1402-Y1405 WeakPolarHBondContact O-CA 3.45Å; P1402-Y1405 WeakPolarHBondContact O-CB 3.48Å; P1402-Y1405 PolarHBondContact O-N 3.13Å; T1403-Y1405 VanDerWaalsContact C-N 3.25Å; T1403-Y1405 PolarHBondContact O-N 3.29Å; Y1405-R1416 PolarHBondContact O-NH1 3.17Å; Y1405-R1416 PolarHBondContact O-NH2 2.84Å |
| 1406 | W | 48.2 | Very low | 53.4 | Low | 26 Ų | 26 | 66.6 Ų | 66.6 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -60.5 | 142.6 | 173.7 | -74.8 | 23.8 | 0 | 0 | 0 | 110.1 | L1296 I1299 F1300 L1399 T1401 T1403 R1408 | L1296-W1406 HydrophobicContact CD1-CD2 4.21Å; L1296-W1406 HydrophobicContact CD1-CE3 3.92Å; L1296-W1406 HydrophobicContact CD1-CG 4.49Å; L1296-W1406 HydrophobicContact CG-CE3 4.44Å; I1299-W1406 HydrophobicContact CB-CH2 3.84Å; I1299-W1406 HydrophobicContact CB-CZ2 3.99Å; I1299-W1406 HydrophobicContact CD1-CD2 4.36Å; I1299-W1406 HydrophobicContact CD1-CH2 4.09Å; I1299-W1406 HydrophobicContact CD1-CZ2 3.72Å; I1299-W1406 HydrophobicContact CG1-CZ2 4.43Å; I1299-W1406 HydrophobicContact CG2-CH2 3.53Å; I1299-W1406 HydrophobicContact CG2-CZ2 3.35Å; F1300-W1406 HydrophobicContact CE1-CZ3 4.09Å; L1399-W1406 HydrophobicContact CD1-CZ2 3.85Å; T1401-W1406 VanDerWaalsContact O-CD1 3.28Å; T1401-W1406 PolarHBondContact O-NE1 3.27Å; T1403-W1406 HydrophobicContact CG2-CZ2 3.9Å; T1403-W1406 PolarHBondContact O-N 3.42Å; W1406-R1408 VanDerWaalsContact O-CG 3.25Å; W1406-R1408 WeakPolarHBondContact O-CG 3.38Å; W1406-R1408 PolarHBondContact O-N 3.08Å |
| 1407 | P | 53.4 | Low | 54.7 | Low | 22 Ų | 22 | 61.2 Ų | 61.2 | 14% | 0.143 | 31% | 0.312 | C | S | . | . | trans | -72.4 | 111.7 | 180 | 31.5 | -32.1 | 0 | 0 | 0 | 109.6 | L1296 S1412 I1413 | L1296-P1407 HydrophobicContact CD1-CG 4.13Å; P1407-S1412 WeakPolarHBondContact CA-OG 3.21Å; P1407-S1412 VanDerWaalsContact CB-OG 3.28Å; P1407-S1412 WeakPolarHBondContact CB-OG 3.46Å; P1407-I1413 HydrophobicContact CB-CB 4.33Å; P1407-I1413 HydrophobicContact CB-CG1 3.57Å; P1407-I1413 HydrophobicContact CG-CG1 3.73Å | ||
| 1408 | R | 57.9 | Low | 55.9 | Low | 75 Ų | 75 | 57 Ų | 57 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | trans | -87.9 | -9.8 | -170.7 | -45.7 | -170.2 | -170.2 | -167.2 | 1.7 | 114 | V1329 H1330 A1404 W1406 S1412 | V1329-R1408 HydrophobicContact CG1-CG 4.47Å; H1330-R1408 VanDerWaalsContact N-NH1 3.13Å; H1330-R1408 WeakPolarHBondContact O-CD 3.35Å; A1404-R1408 PolarHBondContact O-NH2 2.82Å; W1406-R1408 VanDerWaalsContact O-CG 3.25Å; W1406-R1408 WeakPolarHBondContact O-CG 3.38Å; W1406-R1408 PolarHBondContact O-N 3.08Å; R1408-S1412 PolarHBondContact N-OG 2.84Å | ||
| 1409 | T | 70.3 | Confident | 56.6 | Low | 34 Ų | 34 | 55.6 Ų | 55.6 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -143.2 | 158.6 | 176.2 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | S1411 S1412 I1413 | T1409-S1411 PolarHBondContact O-N 2.97Å; T1409-S1412 PolarHBondContact N-OG 3.05Å; T1409-S1412 VanDerWaalsContact N-OG 3.1Å; T1409-S1412 WeakPolarHBondContact O-CA 3.49Å; T1409-S1412 WeakPolarHBondContact O-CB 3.45Å; T1409-S1412 PolarHBondContact O-N 2.68Å; T1409-S1412 PolarHBondContact O-OG 3.41Å; T1409-S1412 PolarHBondContact OG1-N 2.88Å; T1409-I1413 PolarHBondContact O-N 3.31Å; T1409-I1413 VanDerWaalsContact O-N 3.12Å |
| 1410 | L | 78.9 | Confident | 56.9 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.7 | -42 | 174.3 | -168.1 | 65.6 | 0 | 0 | 0 | 111.4 | E1264 L1268 V1289 S1412 I1413 I1414 L1444 A1445 L1448 | E1264-L1410 HydrophobicContact CB-CB 4.29Å; E1264-L1410 HydrophobicContact CG-CB 4.05Å; E1264-L1410 VanDerWaalsContact OE2-CB 3.3Å; E1264-L1410 WeakPolarHBondContact OE2-CB 3.45Å; E1264-L1410 PolarHBondContact OE2-N 3.13Å; L1268-L1410 HydrophobicContact CD1-CD2 4.32Å; V1289-L1410 HydrophobicContact CG1-CD1 3.57Å; L1410-S1412 PolarHBondContact O-N 3.23Å; L1410-I1413 HydrophobicContact CD1-CD1 4.26Å; L1410-I1413 WeakPolarHBondContact O-CA 3.2Å; L1410-I1413 WeakPolarHBondContact O-CB 3.21Å; L1410-I1413 PolarHBondContact O-N 3.18Å; L1410-I1414 HydrophobicContact CG-CD1 4.16Å; L1410-I1414 WeakPolarHBondContact O-CG1 3.25Å; L1410-I1414 PolarHBondContact O-N 3.31Å; L1410-L1444 HydrophobicContact CD1-CD2 4.36Å; L1410-L1444 HydrophobicContact CD2-CB 4.24Å; L1410-L1444 HydrophobicContact CD2-CD2 4.18Å; L1410-L1444 HydrophobicContact CD2-CG 4.35Å; L1410-L1444 HydrophobicContact CG-CD2 4.23Å; L1410-A1445 HydrophobicContact CD2-CB 3.62Å; L1410-L1448 HydrophobicContact CD1-CD1 3.78Å |
| 1411 | S | 78.8 | Confident | 57.3 | Low | 15 Ų | 15 | 56.5 Ų | 56.5 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54 | -33.8 | 173.6 | -32.1 | 0 | 0 | 0 | 0 | 113.2 | R1267 T1409 K1415 E1441 | R1267-S1411 PolarHBondContact NH2-OG 3.38Å; T1409-S1411 PolarHBondContact O-N 2.97Å; S1411-K1415 WeakPolarHBondContact O-CB 3.43Å; S1411-K1415 WeakPolarHBondContact O-CD 3.27Å; S1411-K1415 VanDerWaalsContact O-CG 3.22Å; S1411-K1415 WeakPolarHBondContact O-CG 3.48Å; S1411-K1415 PolarHBondContact O-N 3.27Å; S1411-K1415 VanDerWaalsContact O-N 3.12Å; S1411-E1441 WeakPolarHBondContact CA-OE1 3.39Å; S1411-E1441 WeakPolarHBondContact CB-OE1 3.45Å; S1411-E1441 WeakPolarHBondContact CB-OE2 3.4Å; S1411-E1441 PolarHBondContact OG-OE2 3.21Å |
| 1412 | S | 70.3 | Confident | 57.1 | Low | 35 Ų | 35 | 56.4 Ų | 56.4 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -83.4 | -26.7 | 176.6 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | P1407 R1408 T1409 L1410 R1416 | P1407-S1412 WeakPolarHBondContact CA-OG 3.21Å; P1407-S1412 VanDerWaalsContact CB-OG 3.28Å; P1407-S1412 WeakPolarHBondContact CB-OG 3.46Å; R1408-S1412 PolarHBondContact N-OG 2.84Å; T1409-S1412 PolarHBondContact N-OG 3.05Å; T1409-S1412 VanDerWaalsContact N-OG 3.1Å; T1409-S1412 WeakPolarHBondContact O-CA 3.49Å; T1409-S1412 WeakPolarHBondContact O-CB 3.45Å; T1409-S1412 PolarHBondContact O-N 2.68Å; T1409-S1412 PolarHBondContact O-OG 3.41Å; T1409-S1412 PolarHBondContact OG1-N 2.88Å; L1410-S1412 PolarHBondContact O-N 3.23Å; S1412-R1416 PolarHBondContact O-N 3.27Å |
| 1413 | I | 71.4 | Confident | 56.7 | Low | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.9 | -49.6 | 168.3 | -51.5 | 173.6 | 0 | 0 | 0 | 108.9 | F1260 V1289 Q1292 L1293 P1407 T1409 L1410 K1415 R1416 A1417 | F1260-I1413 HydrophobicContact CE1-CD1 4.32Å; F1260-I1413 HydrophobicContact CZ-CD1 4.21Å; V1289-I1413 HydrophobicContact CB-CG2 4.41Å; V1289-I1413 HydrophobicContact CG1-CB 4.34Å; V1289-I1413 HydrophobicContact CG1-CG2 3.9Å; V1289-I1413 HydrophobicContact CG2-CG2 4.23Å; Q1292-I1413 HydrophobicContact CB-CG2 3.52Å; Q1292-I1413 HydrophobicContact CG-CG2 4.13Å; L1293-I1413 HydrophobicContact CD2-CD1 3.7Å; L1293-I1413 HydrophobicContact CG-CD1 4.16Å; P1407-I1413 HydrophobicContact CB-CB 4.33Å; P1407-I1413 HydrophobicContact CB-CG1 3.57Å; P1407-I1413 HydrophobicContact CG-CG1 3.73Å; T1409-I1413 PolarHBondContact O-N 3.31Å; T1409-I1413 VanDerWaalsContact O-N 3.12Å; L1410-I1413 HydrophobicContact CD1-CD1 4.26Å; L1410-I1413 WeakPolarHBondContact O-CA 3.2Å; L1410-I1413 WeakPolarHBondContact O-CB 3.21Å; L1410-I1413 PolarHBondContact O-N 3.18Å; I1413-K1415 PolarHBondContact O-N 3.32Å; I1413-R1416 PolarHBondContact O-N 3.26Å; I1413-R1416 VanDerWaalsContact O-N 3.12Å; I1413-A1417 WeakPolarHBondContact O-CB 3.23Å; I1413-A1417 PolarHBondContact O-N 3.29Å |
| 1414 | I | 74.8 | Confident | 56 | Low | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.5 | -50.2 | 176.7 | -66.6 | 156.7 | 0 | 0 | 0 | 110.9 | L1285 V1289 L1410 R1416 A1417 C1418 E1441 L1444 | L1285-I1414 HydrophobicContact CD1-CG1 4.41Å; L1285-I1414 HydrophobicContact CD1-CG2 4.22Å; L1285-I1414 HydrophobicContact CD2-CG2 4.43Å; V1289-I1414 HydrophobicContact CG2-CG1 4.1Å; L1410-I1414 HydrophobicContact CG-CD1 4.16Å; L1410-I1414 WeakPolarHBondContact O-CG1 3.25Å; L1410-I1414 PolarHBondContact O-N 3.31Å; I1414-R1416 VanDerWaalsContact C-N 3.27Å; I1414-R1416 PolarHBondContact O-N 2.92Å; I1414-A1417 WeakPolarHBondContact O-CB 3.41Å; I1414-A1417 PolarHBondContact O-N 3.5Å; I1414-C1418 PolarHBondContact O-N 3.46Å; I1414-C1418 PolarHBondContact O-SG 2.97Å; I1414-C1418 VanDerWaalsContact O-SG 3.35Å; I1414-E1441 HydrophobicContact CD1-CB 4.3Å; I1414-E1441 HydrophobicContact CD1-CG 3.61Å; I1414-L1444 HydrophobicContact CD1-CD2 3.64Å; I1414-L1444 HydrophobicContact CG1-CD2 3.65Å |
| 1415 | K | 71 | Confident | 55.3 | Low | 153 Ų | 153 | 65.1 Ų | 65.1 | 67% | 0.665 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.2 | -36.7 | 179 | -76.4 | 168.8 | -175.2 | 177.6 | 0 | 112.7 | S1411 I1413 S1419 | S1411-K1415 WeakPolarHBondContact O-CB 3.43Å; S1411-K1415 WeakPolarHBondContact O-CD 3.27Å; S1411-K1415 VanDerWaalsContact O-CG 3.22Å; S1411-K1415 WeakPolarHBondContact O-CG 3.48Å; S1411-K1415 PolarHBondContact O-N 3.27Å; S1411-K1415 VanDerWaalsContact O-N 3.12Å; I1413-K1415 PolarHBondContact O-N 3.32Å; K1415-S1419 WeakPolarHBondContact O-CB 3.47Å; K1415-S1419 PolarHBondContact O-N 3.16Å; K1415-S1419 PolarHBondContact O-OG 3.41Å |
| 1416 | R | 64.4 | Low | 54.8 | Low | 75 Ų | 75 | 65.2 Ų | 65.2 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.7 | -44.5 | 174.2 | -179 | 168.3 | -79 | 135.3 | -4.4 | 111.9 | Y1405 S1412 I1413 I1414 S1419 M1420 | Y1405-R1416 PolarHBondContact O-NH1 3.17Å; Y1405-R1416 PolarHBondContact O-NH2 2.84Å; S1412-R1416 PolarHBondContact O-N 3.27Å; I1413-R1416 PolarHBondContact O-N 3.26Å; I1413-R1416 VanDerWaalsContact O-N 3.12Å; I1414-R1416 VanDerWaalsContact C-N 3.27Å; I1414-R1416 PolarHBondContact O-N 2.92Å; R1416-S1419 WeakPolarHBondContact CA-OG 3.32Å; R1416-S1419 PolarHBondContact O-N 2.88Å; R1416-S1419 PolarHBondContact O-OG 2.95Å; R1416-M1420 VanDerWaalsContact O-CG 3.3Å; R1416-M1420 WeakPolarHBondContact O-CG 3.3Å; R1416-M1420 PolarHBondContact O-N 3.44Å |
| 1417 | A | 60.1 | Low | 53.8 | Low | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.008 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.3 | -55.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1288 V1289 I1413 I1414 S1419 M1420 S1421 | E1288-A1417 HydrophobicContact CG-CB 3.6Å; V1289-A1417 HydrophobicContact CG2-CB 4.36Å; I1413-A1417 WeakPolarHBondContact O-CB 3.23Å; I1413-A1417 PolarHBondContact O-N 3.29Å; I1414-A1417 WeakPolarHBondContact O-CB 3.41Å; I1414-A1417 PolarHBondContact O-N 3.5Å; A1417-S1419 VanDerWaalsContact C-N 3.26Å; A1417-S1419 PolarHBondContact O-N 3.38Å; A1417-M1420 PolarHBondContact O-N 3.04Å; A1417-S1421 PolarHBondContact O-N 2.84Å; A1417-S1421 PolarHBondContact O-OG 3.04Å |
| 1418 | C | 62.2 | Low | 52.6 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -32.2 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | I1414 M1420 S1422 | I1414-C1418 PolarHBondContact O-N 3.46Å; I1414-C1418 PolarHBondContact O-SG 2.97Å; I1414-C1418 VanDerWaalsContact O-SG 3.35Å; C1418-M1420 PolarHBondContact O-N 3.09Å; C1418-S1422 PolarHBondContact O-N 2.74Å; C1418-S1422 PolarHBondContact O-OG 2.98Å; C1418-S1422 VanDerWaalsContact O-OG 3.05Å |
| 1419 | S | 51.5 | Low | 51 | Low | 80 Ų | 80 | 72.1 Ų | 72.1 | 56% | 0.559 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.1 | -13.6 | 174.9 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | K1415 R1416 A1417 | K1415-S1419 WeakPolarHBondContact O-CB 3.47Å; K1415-S1419 PolarHBondContact O-N 3.16Å; K1415-S1419 PolarHBondContact O-OG 3.41Å; R1416-S1419 WeakPolarHBondContact CA-OG 3.32Å; R1416-S1419 PolarHBondContact O-N 2.88Å; R1416-S1419 PolarHBondContact O-OG 2.95Å; A1417-S1419 VanDerWaalsContact C-N 3.26Å; A1417-S1419 PolarHBondContact O-N 3.38Å |
| 1420 | M | 44.7 | Very low | 49.1 | Very low | 144 Ų | 144 | 76.1 Ų | 76.1 | 71% | 0.709 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -101.2 | -27.9 | 178 | -59.3 | -89.4 | 68.2 | 0 | 0 | 112.7 | R1416 A1417 C1418 | R1416-M1420 VanDerWaalsContact O-CG 3.3Å; R1416-M1420 WeakPolarHBondContact O-CG 3.3Å; R1416-M1420 PolarHBondContact O-N 3.44Å; A1417-M1420 PolarHBondContact O-N 3.04Å; C1418-M1420 PolarHBondContact O-N 3.09Å |
| 1421 | S | 43.2 | Very low | 46.7 | Very low | 97 Ų | 97 | 83.8 Ų | 83.8 | 68% | 0.678 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -94.7 | -15.1 | -173.9 | 58.1 | 0 | 0 | 0 | 0 | 115.5 | A1417 | A1417-S1421 PolarHBondContact O-N 2.84Å; A1417-S1421 PolarHBondContact O-OG 3.04Å |
| 1422 | S | 33.5 | Very low | 44.3 | Very low | 47 Ų | 47 | 86.7 Ų | 86.7 | 33% | 0.329 | 52% | 0.52 | S | S | . | . | trans | -126.2 | 116.1 | -179.6 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | C1418 T1424 | C1418-S1422 PolarHBondContact O-N 2.74Å; C1418-S1422 PolarHBondContact O-OG 2.98Å; C1418-S1422 VanDerWaalsContact O-OG 3.05Å; S1422-T1424 PolarHBondContact O-N 3.35Å; S1422-T1424 PolarHBondContact OG-O 3.07Å | ||
| 1423 | S | 30.5 | Very low | 42.6 | Very low | 131 Ų | 131 | 89.9 Ų | 89.9 | 92% | 0.916 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -74.6 | -1.7 | 163.3 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1424 | T | 29.3 | Very low | 41.2 | Very low | 104 Ų | 104 | 96.4 Ų | 96.4 | 64% | 0.638 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -102.2 | 111.9 | 170.9 | 38.1 | 0 | 0 | 0 | 0 | 109.9 | S1422 L1426 | S1422-T1424 PolarHBondContact O-N 3.35Å; S1422-T1424 PolarHBondContact OG-O 3.07Å; T1424-L1426 PolarHBondContact O-N 3.35Å |
| 1425 | P | 26.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 98.6 Ų | 98.6 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | trans | -68.5 | 122.4 | 177.2 | 28 | -33 | 0 | 0 | 0 | 109.8 | T1427 | P1425-T1427 PolarHBondContact O-N 3.36Š| ||
| 1426 | L | 29.3 | Very low | 39.2 | Very low | 152 Ų | 152 | 96 Ų | 96 | 80% | 0.796 | 58% | 0.58 | S | S | * | * | trans | -55.4 | 112.4 | 166.9 | -81.5 | 165.2 | 0 | 0 | 0 | 108.8 | T1424 S1428 | T1424-L1426 PolarHBondContact O-N 3.35Å; L1426-S1428 PolarHBondContact O-N 3.01Å | ||
| 1427 | T | 28.7 | Very low | 39 | Very low | 99 Ų | 99 | 95.2 Ų | 95.2 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | trans | -67.2 | 103.6 | -178.7 | 43.1 | 0 | 0 | 0 | 0 | 109.6 | P1425 T1429 | P1425-T1427 PolarHBondContact O-N 3.36Å; T1427-T1429 PolarHBondContact O-N 3.49Å; T1427-T1429 PolarHBondContact O-OG1 3.4Å | ||
| 1428 | S | 26.2 | Very low | 39.3 | Very low | 84 Ų | 84 | 97.7 Ų | 97.7 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | trans | -70.1 | 72.7 | 175.9 | 62.1 | 0 | 0 | 0 | 0 | 111 | R221 L1426 | R221-S1428 PolarHBondContact NH1-OG 3.22Å; L1426-S1428 PolarHBondContact O-N 3.01Å | ||
| 1429 | T | 25.6 | Very low | 39.8 | Very low | 85 Ų | 85 | 98.1 Ų | 98.1 | 52% | 0.521 | 60% | 0.6 | S | S | . | * | trans | -133 | 46.2 | -177 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | T1427 | T1427-T1429 PolarHBondContact O-N 3.49Å; T1427-T1429 PolarHBondContact O-OG1 3.4Å | ||
| 1430 | T | 29.9 | Very low | 41.4 | Very low | 118 Ų | 118 | 98.8 Ų | 98.8 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | trans | -142.3 | 101.2 | 157.4 | 31.4 | 0 | 0 | 0 | 0 | 109.4 | S1432 | T1430-S1432 PolarHBondContact O-N 3.27Š| ||
| 1431 | T | 28 | Very low | 43.4 | Very low | 161 Ų | 161 | 93.3 Ų | 93.3 | 99% | 0.988 | 57% | 0.57 | S | S | * | * | trans | -79 | 57.9 | 166.8 | 31.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1432 | S | 28.5 | Very low | 45.6 | Very low | 76 Ų | 76 | 88.7 Ų | 88.7 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | trans | -153.4 | 151.6 | 173.1 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | T1430 | T1430-S1432 PolarHBondContact O-N 3.27Š| ||
| 1433 | N | 35.1 | Very low | 48.5 | Very low | 102 Ų | 102 | 87.4 Ų | 87.4 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | trans | 69.7 | 49.2 | 174.7 | -52.9 | -11.5 | 0 | 0 | 0 | 117.5 | S1435 N1436 | N1433-S1435 PolarHBondContact O-N 3.15Å; N1433-N1436 HydrophobicContact CB-CB 4.31Å; N1433-N1436 PolarHBondContact O-N 3.11Å | ||
| 1434 | N | 42.3 | Very low | 51.5 | Low | 142 Ų | 142 | 81.2 Ų | 81.2 | 76% | 0.759 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -51.7 | -33.2 | 161.8 | -95.1 | -9.5 | 0 | 0 | 0 | 112.7 | N1436 S1437 T1438 | N1434-N1436 VanDerWaalsContact C-N 3.32Å; N1434-N1436 PolarHBondContact O-N 2.92Å; N1434-S1437 PolarHBondContact O-N 3.21Å; N1434-S1437 PolarHBondContact O-OG 3.04Å; N1434-T1438 PolarHBondContact O-N 3.42Å; N1434-T1438 PolarHBondContact O-OG1 3.32Å |
| 1435 | S | 47.7 | Very low | 54.6 | Low | 65 Ų | 65 | 76.3 Ų | 76.3 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.3 | -36.9 | 178.5 | 45.9 | 0 | 0 | 0 | 0 | 114 | N1433 T1438 N1439 | N1433-S1435 PolarHBondContact O-N 3.15Å; S1435-T1438 PolarHBondContact O-OG1 3.08Å; S1435-N1439 PolarHBondContact O-N 2.87Å; S1435-N1439 VanDerWaalsContact O-N 3.17Å |
| 1436 | N | 55.6 | Low | 57.9 | Low | 99 Ų | 99 | 71 Ų | 71 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.2 | -32.6 | -178 | -72.3 | 14.2 | 0 | 0 | 0 | 111.4 | N1433 N1434 L1440 | N1433-N1436 HydrophobicContact CB-CB 4.31Å; N1433-N1436 PolarHBondContact O-N 3.11Å; N1434-N1436 VanDerWaalsContact C-N 3.32Å; N1434-N1436 PolarHBondContact O-N 2.92Å; N1436-L1440 PolarHBondContact O-N 3.04Å; N1436-L1440 VanDerWaalsContact O-N 3.16Å |
| 1437 | S | 61.1 | Low | 61 | Low | 58 Ų | 58 | 64 Ų | 64 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 175 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | N1434 N1439 L1440 E1441 | N1434-S1437 PolarHBondContact O-N 3.21Å; N1434-S1437 PolarHBondContact O-OG 3.04Å; S1437-N1439 VanDerWaalsContact C-N 3.33Å; S1437-N1439 PolarHBondContact O-N 3.28Å; S1437-L1440 PolarHBondContact O-N 3.44Å; S1437-E1441 WeakPolarHBondContact O-CG 3.38Å; S1437-E1441 PolarHBondContact O-N 3.19Å |
| 1438 | T | 64.8 | Low | 64.1 | Low | 53 Ų | 53 | 59.3 Ų | 59.3 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.3 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | N1434 S1435 E1441 S1442 | N1434-T1438 PolarHBondContact O-N 3.42Å; N1434-T1438 PolarHBondContact O-OG1 3.32Å; S1435-T1438 PolarHBondContact O-OG1 3.08Å; T1438-E1441 PolarHBondContact O-N 3.17Å; T1438-S1442 WeakPolarHBondContact O-CB 3.48Å; T1438-S1442 PolarHBondContact O-N 2.77Å; T1438-S1442 PolarHBondContact O-OG 2.77Å |
| 1439 | N | 74.5 | Confident | 67.4 | Low | 52 Ų | 52 | 55.3 Ų | 55.3 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175 | -75.2 | -18.3 | 0 | 0 | 0 | 112.3 | T1273 S1435 S1437 E1441 S1442 H1443 | T1273-N1439 WeakPolarHBondContact CB-OD1 3.35Å; T1273-N1439 HydrophobicContact CG2-CB 3.99Å; T1273-N1439 WeakPolarHBondContact CG2-OD1 3.3Å; T1273-N1439 PolarHBondContact OG1-OD1 3.41Å; S1435-N1439 PolarHBondContact O-N 2.87Å; S1435-N1439 VanDerWaalsContact O-N 3.17Å; S1437-N1439 VanDerWaalsContact C-N 3.33Å; S1437-N1439 PolarHBondContact O-N 3.28Å; N1439-E1441 VanDerWaalsContact C-N 3.35Å; N1439-E1441 PolarHBondContact O-N 2.7Å; N1439-S1442 PolarHBondContact O-N 3.23Å; N1439-S1442 PolarHBondContact O-OG 2.67Å; N1439-S1442 VanDerWaalsContact O-OG 3.06Å; N1439-H1443 PolarHBondContact O-CD2 3.04Å; N1439-H1443 VanDerWaalsContact O-CG 3.31Å; N1439-H1443 PolarHBondContact O-N 3.11Å |
| 1440 | L | 83.3 | Confident | 70.7 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.6 | -173.3 | 64.5 | 0 | 0 | 0 | 111.7 | N1436 S1437 L1444 | N1436-L1440 PolarHBondContact O-N 3.04Å; N1436-L1440 VanDerWaalsContact O-N 3.16Å; S1437-L1440 PolarHBondContact O-N 3.44Å; L1440-L1444 PolarHBondContact O-N 3.34Å |
| 1441 | E | 86.5 | Confident | 73.6 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 175.4 | -63.1 | -165.4 | 169.9 | 0 | 0 | 112.6 | L1268 S1411 I1414 S1437 T1438 N1439 L1444 A1445 | L1268-E1441 HydrophobicContact CD1-CB 3.59Å; L1268-E1441 HydrophobicContact CD2-CB 3.99Å; L1268-E1441 WeakPolarHBondContact CD2-OE2 3.47Å; L1268-E1441 HydrophobicContact CG-CB 4.38Å; S1411-E1441 WeakPolarHBondContact CA-OE1 3.39Å; S1411-E1441 WeakPolarHBondContact CB-OE1 3.45Å; S1411-E1441 WeakPolarHBondContact CB-OE2 3.4Å; S1411-E1441 PolarHBondContact OG-OE2 3.21Å; I1414-E1441 HydrophobicContact CD1-CB 4.3Å; I1414-E1441 HydrophobicContact CD1-CG 3.61Å; S1437-E1441 WeakPolarHBondContact O-CG 3.38Å; S1437-E1441 PolarHBondContact O-N 3.19Å; T1438-E1441 PolarHBondContact O-N 3.17Å; N1439-E1441 VanDerWaalsContact C-N 3.35Å; N1439-E1441 PolarHBondContact O-N 2.7Å; E1441-L1444 WeakPolarHBondContact O-CB 3.43Å; E1441-L1444 PolarHBondContact O-N 3.43Å; E1441-A1445 PolarHBondContact O-N 2.72Å |
| 1442 | S | 90.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.1 | -35.4 | 177.7 | 73 | 0 | 0 | 0 | 0 | 111.9 | T1273 T1438 N1439 L1444 A1445 A1446 | T1273-S1442 WeakPolarHBondContact CB-OG 3.21Å; T1273-S1442 WeakPolarHBondContact CG2-OG 3.36Å; T1273-S1442 PolarHBondContact OG1-OG 2.86Å; T1438-S1442 WeakPolarHBondContact O-CB 3.48Å; T1438-S1442 PolarHBondContact O-N 2.77Å; T1438-S1442 PolarHBondContact O-OG 2.77Å; N1439-S1442 PolarHBondContact O-N 3.23Å; N1439-S1442 PolarHBondContact O-OG 2.67Å; N1439-S1442 VanDerWaalsContact O-OG 3.06Å; S1442-L1444 VanDerWaalsContact C-N 3.3Å; S1442-L1444 PolarHBondContact O-N 2.91Å; S1442-A1445 PolarHBondContact O-N 3.29Å; S1442-A1446 WeakPolarHBondContact O-CB 3.23Å; S1442-A1446 PolarHBondContact O-N 3.32Å |
| 1443 | H | 95 | Very high | 79.8 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -36.6 | 166.9 | -67.6 | -43.8 | 0 | 0 | 0 | 112.6 | T1273 E1274 P1281 N1439 G1447 | T1273-H1443 WeakPolarHBondContact CG2-CE1 3.5Å; E1274-H1443 PolarHBondContact O-CE1 2.98Å; P1281-H1443 HydrophobicContact CB-CB 4.37Å; N1439-H1443 PolarHBondContact O-CD2 3.04Å; N1439-H1443 VanDerWaalsContact O-CG 3.31Å; N1439-H1443 PolarHBondContact O-N 3.11Å; H1443-G1447 PolarHBondContact O-N 2.91Å |
| 1444 | L | 93.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 174.8 | -169.4 | 72.2 | 0 | 0 | 0 | 111.2 | P1281 L1285 L1286 V1289 L1410 I1414 L1440 E1441 S1442 A1446 G1447 L1448 | P1281-L1444 HydrophobicContact CB-CB 4.21Å; P1281-L1444 HydrophobicContact CB-CD1 3.85Å; P1281-L1444 HydrophobicContact CG-CD1 4.12Å; L1285-L1444 HydrophobicContact CD2-CD1 4.45Å; L1285-L1444 HydrophobicContact CD2-CD2 4.14Å; L1285-L1444 HydrophobicContact CG-CD1 4.23Å; L1285-L1444 HydrophobicContact CG-CD2 4.14Å; L1286-L1444 HydrophobicContact CB-CD1 3.8Å; V1289-L1444 HydrophobicContact CB-CD2 4.36Å; V1289-L1444 HydrophobicContact CG1-CD2 4.26Å; V1289-L1444 HydrophobicContact CG2-CD2 4.14Å; L1410-L1444 HydrophobicContact CD1-CD2 4.36Å; L1410-L1444 HydrophobicContact CD2-CB 4.24Å; L1410-L1444 HydrophobicContact CD2-CD2 4.18Å; L1410-L1444 HydrophobicContact CD2-CG 4.35Å; L1410-L1444 HydrophobicContact CG-CD2 4.23Å; I1414-L1444 HydrophobicContact CD1-CD2 3.64Å; I1414-L1444 HydrophobicContact CG1-CD2 3.65Å; L1440-L1444 PolarHBondContact O-N 3.34Å; E1441-L1444 WeakPolarHBondContact O-CB 3.43Å; E1441-L1444 PolarHBondContact O-N 3.43Å; S1442-L1444 VanDerWaalsContact C-N 3.3Å; S1442-L1444 PolarHBondContact O-N 2.91Å; L1444-A1446 PolarHBondContact O-N 3.41Å; L1444-G1447 PolarHBondContact O-N 2.93Å; L1444-L1448 HydrophobicContact CG-CD1 4.05Å; L1444-L1448 WeakPolarHBondContact O-CB 3.22Å; L1444-L1448 VanDerWaalsContact O-CG 3.3Å; L1444-L1448 WeakPolarHBondContact O-CG 3.45Å; L1444-L1448 PolarHBondContact O-N 3.49Å |
| 1445 | A | 92.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1264 I1265 L1410 E1441 S1442 G1447 L1448 L1449 | E1264-A1445 HydrophobicContact CB-CB 4.24Å; I1265-A1445 HydrophobicContact CB-CB 4.47Å; I1265-A1445 HydrophobicContact CG1-CB 3.53Å; L1410-A1445 HydrophobicContact CD2-CB 3.62Å; E1441-A1445 PolarHBondContact O-N 2.72Å; S1442-A1445 PolarHBondContact O-N 3.29Å; A1445-G1447 VanDerWaalsContact C-N 3.35Å; A1445-G1447 PolarHBondContact O-N 2.95Å; A1445-L1448 PolarHBondContact O-N 3.15Å; A1445-L1449 PolarHBondContact O-N 3Å |
| 1446 | A | 96 | Very high | 86.4 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -34.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1265 I1276 F1277 S1442 L1444 K1450 | I1265-A1446 HydrophobicContact CD1-CB 4.23Å; I1265-A1446 HydrophobicContact CG1-CB 4.36Å; I1276-A1446 HydrophobicContact CD1-CB 3.78Å; I1276-A1446 HydrophobicContact CG1-CB 4.31Å; F1277-A1446 HydrophobicContact CD1-CB 3.62Å; F1277-A1446 HydrophobicContact CE1-CB 3.81Å; F1277-A1446 HydrophobicContact CG-CB 4.1Å; F1277-A1446 HydrophobicContact CZ-CB 4.43Å; S1442-A1446 WeakPolarHBondContact O-CB 3.23Å; S1442-A1446 PolarHBondContact O-N 3.32Å; L1444-A1446 PolarHBondContact O-N 3.41Å; A1446-K1450 WeakPolarHBondContact O-CE 3.35Å; A1446-K1450 WeakPolarHBondContact O-CG 3.25Å; A1446-K1450 PolarHBondContact O-N 3.18Å; A1446-K1450 VanDerWaalsContact O-N 3.14Å |
| 1447 | G | 95.4 | Very high | 87.6 | Confident | 5 Ų | 5 | 24.9 Ų | 24.9 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1443 L1444 A1445 K1450 L1451 | H1443-G1447 PolarHBondContact O-N 2.91Å; L1444-G1447 PolarHBondContact O-N 2.93Å; A1445-G1447 VanDerWaalsContact C-N 3.35Å; A1445-G1447 PolarHBondContact O-N 2.95Å; G1447-K1450 PolarHBondContact O-N 2.99Å; G1447-L1451 WeakPolarHBondContact O-CB 3.2Å; G1447-L1451 PolarHBondContact O-N 3.42Å |
| 1448 | L | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 176.5 | -71 | 164.2 | 0 | 0 | 0 | 111.9 | F1234 L1261 L1286 V1289 R1290 L1293 L1410 L1444 A1445 L1451 W1452 | F1234-L1448 HydrophobicContact CZ-CD2 4.22Å; L1261-L1448 HydrophobicContact CD1-CB 3.77Å; L1261-L1448 HydrophobicContact CD2-CB 4.05Å; L1261-L1448 HydrophobicContact CD2-CD1 4.26Å; L1286-L1448 HydrophobicContact CG-CD2 4.22Å; V1289-L1448 HydrophobicContact CG1-CD1 3.72Å; R1290-L1448 HydrophobicContact CB-CD2 3.83Å; L1293-L1448 HydrophobicContact CD1-CD1 4.16Å; L1293-L1448 HydrophobicContact CD1-CD2 4.46Å; L1410-L1448 HydrophobicContact CD1-CD1 3.78Å; L1444-L1448 HydrophobicContact CG-CD1 4.05Å; L1444-L1448 WeakPolarHBondContact O-CB 3.22Å; L1444-L1448 VanDerWaalsContact O-CG 3.3Å; L1444-L1448 WeakPolarHBondContact O-CG 3.45Å; L1444-L1448 PolarHBondContact O-N 3.49Å; A1445-L1448 PolarHBondContact O-N 3.15Å; L1448-L1451 WeakPolarHBondContact O-CB 3.39Å; L1448-L1451 PolarHBondContact O-N 3.25Å; L1448-W1452 WeakPolarHBondContact O-CB 3.46Å; L1448-W1452 PolarHBondContact O-N 2.85Å |
| 1449 | L | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 178.7 | -174.8 | 61.5 | 0 | 0 | 0 | 111.7 | Q1258 L1261 I1265 F1277 A1445 W1452 L1453 L1523 | Q1258-L1449 HydrophobicContact CG-CD1 4.31Å; L1261-L1449 HydrophobicContact CB-CB 4.18Å; L1261-L1449 HydrophobicContact CB-CD1 4.21Å; L1261-L1449 HydrophobicContact CD1-CB 4.15Å; L1261-L1449 HydrophobicContact CD1-CD1 4.44Å; I1265-L1449 HydrophobicContact CD1-CB 4.4Å; I1265-L1449 HydrophobicContact CD1-CD2 3.77Å; F1277-L1449 HydrophobicContact CE1-CB 4.44Å; F1277-L1449 HydrophobicContact CE1-CD2 4.17Å; F1277-L1449 HydrophobicContact CZ-CD2 4.01Å; A1445-L1449 PolarHBondContact O-N 3Å; L1449-W1452 HydrophobicContact CD1-CE3 3.86Å; L1449-W1452 HydrophobicContact CD1-CZ3 4.29Å; L1449-W1452 PolarHBondContact O-N 3.14Å; L1449-L1453 HydrophobicContact CG-CD1 4.45Å; L1449-L1453 WeakPolarHBondContact O-CG 3.36Å; L1449-L1453 PolarHBondContact O-N 2.98Å; L1449-L1523 HydrophobicContact CD2-CD2 4.06Å |
| 1450 | K | 94.5 | Very high | 90.7 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 12% | 0.122 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 169.9 | -75.2 | -180 | -63.1 | 174.8 | 0 | 111.9 | F1277 A1446 G1447 W1452 R1454 I1547 | F1277-K1450 HydrophobicContact CD1-CD 4.04Å; F1277-K1450 HydrophobicContact CD1-CG 3.85Å; F1277-K1450 HydrophobicContact CE1-CG 4.35Å; F1277-K1450 WeakPolarHBondContact O-CE 3.49Å; F1277-K1450 PolarHBondContact O-NZ 3.41Å; A1446-K1450 WeakPolarHBondContact O-CE 3.35Å; A1446-K1450 WeakPolarHBondContact O-CG 3.25Å; A1446-K1450 PolarHBondContact O-N 3.18Å; A1446-K1450 VanDerWaalsContact O-N 3.14Å; G1447-K1450 PolarHBondContact O-N 2.99Å; K1450-W1452 VanDerWaalsContact C-N 3.35Å; K1450-W1452 PolarHBondContact O-N 3.27Å; K1450-R1454 WeakPolarHBondContact O-CB 3.47Å; K1450-R1454 PolarHBondContact O-N 3.08Å; K1450-I1547 HydrophobicContact CG-CD1 4.41Å |
| 1451 | L | 91.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 179.2 | -178.1 | 69.9 | 0 | 0 | 0 | 111.4 | F1234 L1286 R1290 G1447 L1448 R1454 E1455 | F1234-L1451 HydrophobicContact CD1-CB 4.46Å; F1234-L1451 HydrophobicContact CD1-CD2 3.96Å; F1234-L1451 HydrophobicContact CD1-CG 3.95Å; F1234-L1451 HydrophobicContact CE1-CB 4.26Å; F1234-L1451 HydrophobicContact CE1-CD2 3.84Å; F1234-L1451 HydrophobicContact CE1-CG 4.09Å; L1286-L1451 HydrophobicContact CD2-CD2 4Å; R1290-L1451 HydrophobicContact CB-CD2 4.27Å; R1290-L1451 HydrophobicContact CG-CD2 3.98Å; G1447-L1451 WeakPolarHBondContact O-CB 3.2Å; G1447-L1451 PolarHBondContact O-N 3.42Å; L1448-L1451 WeakPolarHBondContact O-CB 3.39Å; L1448-L1451 PolarHBondContact O-N 3.25Å; L1451-R1454 VanDerWaalsContact CD1-NH2 3.28Å; L1451-R1454 PolarHBondContact O-N 3.39Å; L1451-E1455 HydrophobicContact CD1-CG 4.29Å; L1451-E1455 WeakPolarHBondContact CD1-OE1 3.33Å; L1451-E1455 WeakPolarHBondContact O-CB 3.03Å; L1451-E1455 PolarHBondContact O-N 3.01Å |
| 1452 | W | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.6 | -56.5 | 177.7 | 173.6 | 72 | 0 | 0 | 0 | 111.4 | V1233 F1234 L1238 M1241 P1255 I1257 Q1258 L1448 L1449 K1450 R1454 E1455 L1456 | V1233-W1452 PolarHBondContact O-NE1 3.38Å; F1234-W1452 HydrophobicContact CD1-CB 3.86Å; F1234-W1452 HydrophobicContact CE1-CB 3.79Å; L1238-W1452 HydrophobicContact CD2-CH2 4.02Å; L1238-W1452 HydrophobicContact CD2-CZ2 3.78Å; M1241-W1452 HydrophobicContact CE-CZ2 3.6Å; P1255-W1452 HydrophobicContact CB-CH2 4.29Å; P1255-W1452 HydrophobicContact CB-CZ2 3.9Å; P1255-W1452 HydrophobicContact CG-CH2 4.13Å; P1255-W1452 HydrophobicContact CG-CZ2 3.98Å; I1257-W1452 HydrophobicContact CD1-CG 4.48Å; I1257-W1452 HydrophobicContact CG2-CD2 4.02Å; I1257-W1452 HydrophobicContact CG2-CG 4.15Å; I1257-W1452 HydrophobicContact CG2-CZ2 4.11Å; Q1258-W1452 HydrophobicContact CB-CH2 3.75Å; Q1258-W1452 HydrophobicContact CB-CZ2 4.47Å; Q1258-W1452 HydrophobicContact CB-CZ3 3.78Å; Q1258-W1452 HydrophobicContact CG-CH2 4.03Å; Q1258-W1452 HydrophobicContact CG-CZ3 3.71Å; L1448-W1452 WeakPolarHBondContact O-CB 3.46Å; L1448-W1452 PolarHBondContact O-N 2.85Å; L1449-W1452 HydrophobicContact CD1-CE3 3.86Å; L1449-W1452 HydrophobicContact CD1-CZ3 4.29Å; L1449-W1452 PolarHBondContact O-N 3.14Å; K1450-W1452 VanDerWaalsContact C-N 3.35Å; K1450-W1452 PolarHBondContact O-N 3.27Å; W1452-R1454 VanDerWaalsContact C-N 3.3Å; W1452-R1454 PolarHBondContact O-N 2.84Å; W1452-E1455 PolarHBondContact O-N 3.29Å; W1452-E1455 VanDerWaalsContact O-N 3.15Å; W1452-L1456 HydrophobicContact CH2-CD1 4.49Å; W1452-L1456 HydrophobicContact CZ2-CD1 4.47Å; W1452-L1456 HydrophobicContact CZ2-CD2 3.89Å; W1452-L1456 WeakPolarHBondContact O-CG 3.48Å; W1452-L1456 PolarHBondContact O-N 3.44Å; W1452-L1456 VanDerWaalsContact O-N 3.08Å |
| 1453 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -52 | -48.4 | 176.9 | -70.7 | 168.5 | 0 | 0 | 0 | 111.6 | L1449 E1455 L1456 L1460 L1520 N1550 I1551 | L1449-L1453 HydrophobicContact CG-CD1 4.45Å; L1449-L1453 WeakPolarHBondContact O-CG 3.36Å; L1449-L1453 PolarHBondContact O-N 2.98Å; L1453-E1455 PolarHBondContact O-N 3.47Å; L1453-L1456 HydrophobicContact CD2-CD1 4.49Å; L1453-L1460 HydrophobicContact CD2-CD2 4.05Å; L1453-L1520 HydrophobicContact CD1-CD1 4.2Å; L1453-L1520 HydrophobicContact CD1-CD2 3.71Å; L1453-L1520 HydrophobicContact CD2-CD2 4.21Å; L1453-N1550 CarbonylContact C-O 3.48Å; L1453-N1550 HydrophobicContact CB-CB 4.06Å; L1453-I1551 HydrophobicContact CB-CG2 4.25Å; L1453-I1551 HydrophobicContact CD1-CG2 4.08Å; L1453-I1551 HydrophobicContact CD2-CG2 3.96Å; L1453-I1551 HydrophobicContact CG-CG2 4.32Å |
| 1454 | R | 89.9 | Confident | 90.8 | Very high | 127 Ų | 127 | 26.2 Ų | 26.2 | 48% | 0.479 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.8 | -35.9 | -178.4 | -172.2 | 179.1 | 68.8 | -167.6 | 2 | 113.1 | K1450 L1451 W1452 N1550 R1553 | K1450-R1454 WeakPolarHBondContact O-CB 3.47Å; K1450-R1454 PolarHBondContact O-N 3.08Å; L1451-R1454 VanDerWaalsContact CD1-NH2 3.28Å; L1451-R1454 PolarHBondContact O-N 3.39Å; W1452-R1454 VanDerWaalsContact C-N 3.3Å; W1452-R1454 PolarHBondContact O-N 2.84Å; R1454-N1550 HydrophobicContact CB-CB 4.03Å; R1454-N1550 PolarHBondContact N-O 3.08Å; R1454-R1553 PolarHBondContact O-NH2 2.61Å |
| 1455 | E | 86.3 | Confident | 90.7 | Very high | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -81.7 | -25 | -178.5 | -81.8 | -165.7 | -146.8 | 0 | 0 | 114.2 | R1203 V1207 F1234 G1235 R1290 L1451 W1452 L1453 | R1203-E1455 IonicContact CZ-OE2 2.71Å; R1203-E1455 IonicContact NE-OE2 2.76Å; R1203-E1455 IonicContact NH2-OE2 2.62Å; R1203-E1455 PolarHBondContact NH2-OE2 3.32Å; V1207-E1455 HydrophobicContact CG2-CG 4.43Å; F1234-E1455 HydrophobicContact CB-CB 4.27Å; G1235-E1455 VanDerWaalsContact CA-O 3.25Å; G1235-E1455 WeakPolarHBondContact CA-O 3.5Å; R1290-E1455 IonicContact CZ-OE1 3.31Å; R1290-E1455 IonicContact CZ-OE2 3.17Å; R1290-E1455 IonicContact NH1-OE1 2.62Å; R1290-E1455 PolarHBondContact NH1-OE1 3.19Å; R1290-E1455 IonicContact NH1-OE2 2.75Å; R1290-E1455 PolarHBondContact NH1-OE2 3.01Å; R1290-E1455 IonicContact NH2-OE1 3.41Å; R1290-E1455 IonicContact NH2-OE2 3.63Å; R1290-E1455 PolarHBondContact NH2-OE2 3.34Å; L1451-E1455 HydrophobicContact CD1-CG 4.29Å; L1451-E1455 WeakPolarHBondContact CD1-OE1 3.33Å; L1451-E1455 WeakPolarHBondContact O-CB 3.03Å; L1451-E1455 PolarHBondContact O-N 3.01Å; W1452-E1455 PolarHBondContact O-N 3.29Å; W1452-E1455 VanDerWaalsContact O-N 3.15Å; L1453-E1455 PolarHBondContact O-N 3.47Å |
| 1456 | L | 87.2 | Confident | 90.7 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -35.7 | 137.5 | 179.6 | -75.4 | 175.3 | 0 | 0 | 0 | 112.7 | L1238 M1241 W1452 L1453 Q1458 R1553 | L1238-L1456 HydrophobicContact CD2-CD1 4.09Å; L1238-L1456 HydrophobicContact CD2-CD2 3.8Å; L1238-L1456 HydrophobicContact CG-CD2 4.46Å; M1241-L1456 HydrophobicContact CE-CD2 4.29Å; W1452-L1456 HydrophobicContact CH2-CD1 4.49Å; W1452-L1456 HydrophobicContact CZ2-CD1 4.47Å; W1452-L1456 HydrophobicContact CZ2-CD2 3.89Å; W1452-L1456 WeakPolarHBondContact O-CG 3.48Å; W1452-L1456 PolarHBondContact O-N 3.44Å; W1452-L1456 VanDerWaalsContact O-N 3.08Å; L1453-L1456 HydrophobicContact CD2-CD1 4.49Å; L1456-Q1458 VanDerWaalsContact C-N 3.28Å; L1456-Q1458 CarbonylContact C-O 3.6Å; L1456-Q1458 VanDerWaalsContact CB-O 3.23Å; L1456-Q1458 WeakPolarHBondContact CB-O 3.32Å; L1456-Q1458 PolarHBondContact O-N 3.4Å; L1456-R1553 PolarHBondContact O-NH1 2.89Å; L1456-R1553 PolarHBondContact O-NH2 3.26Å |
| 1457 | S | 80.9 | Confident | 90.5 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -54.9 | -46.6 | -171.6 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | N1206 S1236 S1237 R1553 | N1206-S1457 PolarHBondContact ND2-O 3.37Å; N1206-S1457 VanDerWaalsContact ND2-O 3.12Å; S1236-S1457 PolarHBondContact O-N 3.21Å; S1236-S1457 PolarHBondContact O-OG 3.11Å; S1237-S1457 VanDerWaalsContact CA-OG 3.22Å; S1237-S1457 WeakPolarHBondContact CA-OG 3.5Å; S1237-S1457 WeakPolarHBondContact CB-OG 3.33Å; S1237-S1457 PolarHBondContact N-OG 3.4Å; S1457-R1553 PolarHBondContact O-NH1 2.83Å |
| 1458 | Q | 83 | Confident | 90.3 | Very high | 126 Ų | 126 | 35.8 Ų | 35.8 | 59% | 0.589 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -103.5 | 149.1 | 165.1 | -62 | -63.3 | 6 | 0 | 0 | 111.7 | L1456 | L1456-Q1458 VanDerWaalsContact C-N 3.28Å; L1456-Q1458 CarbonylContact C-O 3.6Å; L1456-Q1458 VanDerWaalsContact CB-O 3.23Å; L1456-Q1458 WeakPolarHBondContact CB-O 3.32Å; L1456-Q1458 PolarHBondContact O-N 3.4Å |
| 1459 | P | 89.6 | Confident | 90.3 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | trans | -66.5 | 149.7 | 172.2 | 30.2 | -33.6 | 0 | 0 | 0 | 110.9 | I1461 V1463 R1553 | P1459-I1461 WeakPolarHBondContact CG-O 3.11Å; P1459-I1461 PolarHBondContact O-N 2.97Å; P1459-V1463 HydrophobicContact CG-CG2 3.88Å; P1459-R1553 HydrophobicContact CB-CB 4.27Å; P1459-R1553 HydrophobicContact CB-CG 3.97Å; P1459-R1553 HydrophobicContact CG-CB 4.32Å; P1459-R1553 HydrophobicContact CG-CG 4.39Å | ||
| 1460 | L | 92.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -62.8 | -27.5 | -178.6 | -172.6 | 61.9 | 0 | 0 | 0 | 112.8 | L1238 L1453 P1513 S1516 L1517 L1520 I1551 | L1238-L1460 HydrophobicContact CD1-CD1 3.96Å; L1453-L1460 HydrophobicContact CD2-CD2 4.05Å; L1460-P1513 HydrophobicContact CD1-CB 4.25Å; L1460-S1516 WeakPolarHBondContact CD1-OG 3.45Å; L1460-L1517 HydrophobicContact CD2-CB 4.1Å; L1460-L1517 HydrophobicContact CD2-CD1 4.05Å; L1460-L1517 HydrophobicContact CG-CB 4.3Å; L1460-L1520 HydrophobicContact CD2-CD2 4.28Å; L1460-I1551 HydrophobicContact CB-CB 4.1Å; L1460-I1551 HydrophobicContact CB-CG2 3.95Å; L1460-I1551 HydrophobicContact CD2-CG2 3.88Å; L1460-I1551 PolarHBondContact N-O 2.95Å |
| 1461 | I | 93.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -105.4 | 108.2 | 163.6 | -61.7 | 171.7 | 0 | 0 | 0 | 107.7 | P1459 Q1466 L1517 I1551 M1552 F1573 I1574 | P1459-I1461 WeakPolarHBondContact CG-O 3.11Å; P1459-I1461 PolarHBondContact O-N 2.97Å; I1461-Q1466 HydrophobicContact CG2-CG 3.88Å; I1461-Q1466 PolarHBondContact O-NE2 3.31Å; I1461-Q1466 VanDerWaalsContact O-NE2 3.1Å; I1461-L1517 HydrophobicContact CG1-CD2 4.38Å; I1461-I1551 PolarHBondContact N-O 3.19Å; I1461-M1552 HydrophobicContact CB-CG 4.12Å; I1461-M1552 HydrophobicContact CD1-CG 3.77Å; I1461-M1552 HydrophobicContact CD1-SD 4.13Å; I1461-M1552 HydrophobicContact CG1-CG 4.44Å; I1461-M1552 HydrophobicContact CG2-CE 4.49Å; I1461-F1573 HydrophobicContact CD1-CD1 4.21Å; I1461-F1573 HydrophobicContact CD1-CE1 3.87Å; I1461-I1574 HydrophobicContact CD1-CD1 3.95Å |
| 1462 | P | 90.2 | Very high | 90.2 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | trans | -52.4 | 145.6 | -179.2 | -27.9 | 35.8 | 0 | 0 | 0 | 112.8 | E1464 L1465 Q1466 L1509 | P1462-E1464 VanDerWaalsContact CB-OE2 3.24Å; P1462-E1464 WeakPolarHBondContact CB-OE2 3Å; P1462-E1464 PolarHBondContact O-N 2.93Å; P1462-L1465 PolarHBondContact O-N 3.32Å; P1462-L1465 VanDerWaalsContact O-N 3.09Å; P1462-Q1466 WeakPolarHBondContact O-CG 3.45Å; P1462-Q1466 PolarHBondContact O-N 3.5Å; P1462-L1509 HydrophobicContact CG-CD2 4.22Å | ||
| 1463 | V | 86.6 | Confident | 90.2 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 13% | 0.127 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.7 | -172.4 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | P1459 L1465 Q1466 P1467 S1555 T1556 | P1459-V1463 HydrophobicContact CG-CG2 3.88Å; V1463-L1465 VanDerWaalsContact C-N 3.34Å; V1463-Q1466 PolarHBondContact O-N 2.6Å; V1463-P1467 VanDerWaalsContact O-CD 3.3Å; V1463-P1467 WeakPolarHBondContact O-CD 3.16Å; V1463-S1555 VanDerWaalsContact CG1-OG 3.32Å; V1463-S1555 WeakPolarHBondContact CG1-OG 3.41Å; V1463-S1555 WeakPolarHBondContact CG2-OG 3.48Å; V1463-T1556 HydrophobicContact CG1-CG2 3.85Å |
| 1464 | E | 87 | Confident | 90.2 | Very high | 131 Ų | 131 | 44.4 Ų | 44.4 | 61% | 0.612 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -35.8 | 179.3 | -57 | 67.2 | -146.1 | 0 | 0 | 111.6 | P1462 | P1462-E1464 VanDerWaalsContact CB-OE2 3.24Å; P1462-E1464 WeakPolarHBondContact CB-OE2 3Å; P1462-E1464 PolarHBondContact O-N 2.93Å |
| 1465 | L | 91.5 | Very high | 90.4 | Very high | 18 Ų | 18 | 41 Ų | 41 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -25.4 | -179.3 | -169.9 | 65.8 | 0 | 0 | 0 | 112.5 | P1462 V1463 M1468 C1469 L1505 C1508 L1509 | P1462-L1465 PolarHBondContact O-N 3.32Å; P1462-L1465 VanDerWaalsContact O-N 3.09Å; V1463-L1465 VanDerWaalsContact C-N 3.34Å; L1465-M1468 HydrophobicContact CD1-SD 4.23Å; L1465-M1468 WeakPolarHBondContact O-CB 3.46Å; L1465-M1468 PolarHBondContact O-N 3.01Å; L1465-C1469 PolarHBondContact O-N 2.7Å; L1465-L1505 HydrophobicContact CD1-CD2 4.28Å; L1465-C1508 HydrophobicContact CD1-CB 3.61Å; L1465-C1508 HydrophobicContact CD2-CB 3.97Å; L1465-C1508 HydrophobicContact CG-CB 4.48Å; L1465-L1509 HydrophobicContact CD2-CD2 3.62Å; L1465-L1509 HydrophobicContact CD2-CG 4.1Å |
| 1466 | Q | 92.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.1 | -45.4 | -175.2 | -70.5 | 176.4 | 46.8 | 0 | 0 | 113.8 | I1461 P1462 V1463 M1468 C1469 L1470 M1552 R1553 | I1461-Q1466 HydrophobicContact CG2-CG 3.88Å; I1461-Q1466 PolarHBondContact O-NE2 3.31Å; I1461-Q1466 VanDerWaalsContact O-NE2 3.1Å; P1462-Q1466 WeakPolarHBondContact O-CG 3.45Å; P1462-Q1466 PolarHBondContact O-N 3.5Å; V1463-Q1466 PolarHBondContact O-N 2.6Å; Q1466-M1468 PolarHBondContact O-N 2.82Å; Q1466-C1469 WeakPolarHBondContact O-CB 3.43Å; Q1466-C1469 PolarHBondContact O-N 3.49Å; Q1466-C1469 VanDerWaalsContact O-N 3.09Å; Q1466-L1470 VanDerWaalsContact O-CG 3.29Å; Q1466-L1470 WeakPolarHBondContact O-CG 3.17Å; Q1466-L1470 PolarHBondContact O-N 2.88Å; Q1466-M1552 HydrophobicContact CB-CE 4.07Å; Q1466-M1552 HydrophobicContact CG-CB 4.49Å; Q1466-M1552 HydrophobicContact CG-CE 3.73Å; Q1466-M1552 HydrophobicContact CG-CG 4.5Å; Q1466-R1553 PolarHBondContact NE2-O 2.98Å; Q1466-R1553 VanDerWaalsContact OE1-C 3.26Å; Q1466-R1553 VanDerWaalsContact OE1-N 3.15Å; Q1466-R1553 PolarHBondContact OE1-O 2.99Å; Q1466-R1553 VanDerWaalsContact OE1-O 3.08Å |
| 1467 | P | 90.9 | Very high | 90.9 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 47% | 0.468 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.8 | -36.1 | 177.9 | -26.9 | 35.5 | 0 | 0 | 0 | 113.9 | V1463 K1471 | V1463-P1467 VanDerWaalsContact O-CD 3.3Å; V1463-P1467 WeakPolarHBondContact O-CD 3.16Å; P1467-K1471 WeakPolarHBondContact O-CB 3.5Å; P1467-K1471 PolarHBondContact O-N 3.4Å |
| 1468 | M | 92.5 | Very high | 91.3 | Very high | 111 Ų | 111 | 45.6 Ų | 45.6 | 55% | 0.547 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.5 | -44.1 | 176.7 | -58.6 | -178.6 | 75.1 | 0 | 0 | 111.1 | L1465 Q1466 L1470 K1471 A1472 L1505 | L1465-M1468 HydrophobicContact CD1-SD 4.23Å; L1465-M1468 WeakPolarHBondContact O-CB 3.46Å; L1465-M1468 PolarHBondContact O-N 3.01Å; Q1466-M1468 PolarHBondContact O-N 2.82Å; M1468-L1470 PolarHBondContact O-N 3.45Å; M1468-K1471 PolarHBondContact O-N 3.04Å; M1468-A1472 WeakPolarHBondContact O-CB 3.47Å; M1468-A1472 PolarHBondContact O-N 3.19Å; M1468-L1505 HydrophobicContact CB-CD1 4.31Å; M1468-L1505 HydrophobicContact CB-CD2 4.11Å; M1468-L1505 HydrophobicContact CE-CD2 4.33Å |
| 1469 | C | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | L1465 Q1466 A1473 M1552 F1573 | L1465-C1469 PolarHBondContact O-N 2.7Å; Q1466-C1469 WeakPolarHBondContact O-CB 3.43Å; Q1466-C1469 PolarHBondContact O-N 3.49Å; Q1466-C1469 VanDerWaalsContact O-N 3.09Å; C1469-A1473 VanDerWaalsContact O-CB 3.3Å; C1469-A1473 WeakPolarHBondContact O-CB 3.14Å; C1469-A1473 PolarHBondContact O-N 3.34Å; C1469-M1552 HydrophobicContact CB-CE 4.14Å; C1469-F1573 HydrophobicContact CB-CD1 4.02Å; C1469-F1573 HydrophobicContact CB-CD2 3.79Å; C1469-F1573 HydrophobicContact CB-CE1 3.92Å; C1469-F1573 HydrophobicContact CB-CE2 3.67Å; C1469-F1573 HydrophobicContact CB-CG 3.98Å; C1469-F1573 HydrophobicContact CB-CZ 3.75Å; C1469-F1573 WeakPolarHBondContact O-CD2 3.22Å; C1469-F1573 VanDerWaalsContact SG-CZ 3.5Å |
| 1470 | L | 93.1 | Very high | 91.3 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.1 | -41.5 | 179.8 | -60.4 | -178.5 | 0 | 0 | 0 | 111.9 | Q1466 M1468 A1473 C1474 M1552 N1566 P1569 Q1570 | Q1466-L1470 VanDerWaalsContact O-CG 3.29Å; Q1466-L1470 WeakPolarHBondContact O-CG 3.17Å; Q1466-L1470 PolarHBondContact O-N 2.88Å; M1468-L1470 PolarHBondContact O-N 3.45Å; L1470-A1473 PolarHBondContact O-N 3.48Å; L1470-C1474 PolarHBondContact O-N 2.86Å; L1470-C1474 PolarHBondContact O-SG 2.97Å; L1470-M1552 HydrophobicContact CD2-CE 3.74Å; L1470-M1552 HydrophobicContact CG-CE 4.27Å; L1470-N1566 HydrophobicContact CD1-CB 4.09Å; L1470-P1569 HydrophobicContact CB-CB 4.08Å; L1470-P1569 HydrophobicContact CB-CG 4.3Å; L1470-P1569 HydrophobicContact CD2-CB 3.8Å; L1470-P1569 HydrophobicContact CD2-CG 4.04Å; L1470-P1569 HydrophobicContact CG-CB 4.48Å; L1470-Q1570 HydrophobicContact CD2-CB 4.19Å; L1470-Q1570 HydrophobicContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-N 3.34Å |
| 1471 | K | 92 | Very high | 90.8 | Very high | 139 Ų | 139 | 52.4 Ų | 52.4 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.2 | -49 | 174.5 | -179.7 | 173.3 | 174.1 | 177.3 | 0 | 111.5 | P1467 M1468 A1473 C1474 E1475 | P1467-K1471 WeakPolarHBondContact O-CB 3.5Å; P1467-K1471 PolarHBondContact O-N 3.4Å; M1468-K1471 PolarHBondContact O-N 3.04Å; K1471-A1473 VanDerWaalsContact C-N 3.29Å; K1471-A1473 PolarHBondContact O-N 3.14Å; K1471-C1474 PolarHBondContact O-N 2.92Å; K1471-E1475 WeakPolarHBondContact CE-OE1 3.48Å; K1471-E1475 WeakPolarHBondContact CG-OE1 3.38Å; K1471-E1475 WeakPolarHBondContact O-CG 3.38Å; K1471-E1475 PolarHBondContact O-N 2.9Å |
| 1472 | A | 93.1 | Very high | 90 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1468 E1475 A1476 K1501 C1502 L1505 | M1468-A1472 WeakPolarHBondContact O-CB 3.47Å; M1468-A1472 PolarHBondContact O-N 3.19Å; A1472-E1475 PolarHBondContact O-N 2.88Å; A1472-A1476 WeakPolarHBondContact O-CB 3.4Å; A1472-A1476 PolarHBondContact O-N 3.25Å; A1472-K1501 HydrophobicContact CB-CD 4.36Å; A1472-K1501 HydrophobicContact CB-CG 4.26Å; A1472-C1502 PolarHBondContact O-SG 3.39Å; A1472-C1502 VanDerWaalsContact O-SG 3.33Å; A1472-L1505 HydrophobicContact CB-CD1 3.76Å |
| 1473 | A | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1469 L1470 K1471 A1476 E1477 P1569 L1572 F1573 L1576 | C1469-A1473 VanDerWaalsContact O-CB 3.3Å; C1469-A1473 WeakPolarHBondContact O-CB 3.14Å; C1469-A1473 PolarHBondContact O-N 3.34Å; L1470-A1473 PolarHBondContact O-N 3.48Å; K1471-A1473 VanDerWaalsContact C-N 3.29Å; K1471-A1473 PolarHBondContact O-N 3.14Å; A1473-A1476 CarbonylContact O-C 3.59Å; A1473-A1476 PolarHBondContact O-N 3.42Å; A1473-E1477 PolarHBondContact O-N 3.12Å; A1473-P1569 HydrophobicContact CB-CB 4.38Å; A1473-L1572 HydrophobicContact CB-CB 4.39Å; A1473-L1572 HydrophobicContact CB-CD2 4.19Å; A1473-L1572 HydrophobicContact CB-CG 4.27Å; A1473-L1572 WeakPolarHBondContact O-CD2 3.49Å; A1473-F1573 HydrophobicContact CB-CB 3.89Å; A1473-F1573 HydrophobicContact CB-CD2 4.35Å; A1473-L1576 HydrophobicContact CB-CD1 4.33Å |
| 1474 | C | 93.6 | Very high | 86.6 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.4 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | L1470 K1471 A1476 E1477 V1478 | L1470-C1474 PolarHBondContact O-N 2.86Å; L1470-C1474 PolarHBondContact O-SG 2.97Å; K1471-C1474 PolarHBondContact O-N 2.92Å; C1474-A1476 VanDerWaalsContact C-N 3.29Å; C1474-A1476 PolarHBondContact O-N 3.29Å; C1474-E1477 PolarHBondContact O-N 3.16Å; C1474-V1478 PolarHBondContact O-N 3.1Å |
| 1475 | E | 92.8 | Very high | 84.7 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 174.1 | -67.6 | 165.8 | 176 | 0 | 0 | 111.3 | K1471 A1472 V1478 Y1479 P1498 K1501 | K1471-E1475 WeakPolarHBondContact CE-OE1 3.48Å; K1471-E1475 WeakPolarHBondContact CG-OE1 3.38Å; K1471-E1475 WeakPolarHBondContact O-CG 3.38Å; K1471-E1475 PolarHBondContact O-N 2.9Å; A1472-E1475 PolarHBondContact O-N 2.88Å; E1475-V1478 PolarHBondContact O-N 2.7Å; E1475-Y1479 PolarHBondContact O-N 2.98Å; E1475-P1498 HydrophobicContact CB-CB 3.99Å; E1475-P1498 HydrophobicContact CB-CG 4.31Å; E1475-K1501 IonicContact OE1-NZ 3.94Å; E1475-K1501 PolarHBondContact OE1-NZ 3.42Å; E1475-K1501 WeakPolarHBondContact OE2-CE 3.24Å; E1475-K1501 IonicContact OE2-NZ 3.89Å; E1475-K1501 PolarHBondContact OE2-NZ 2.87Å |
| 1476 | A | 92.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.9 | -25.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1472 A1473 C1474 Y1479 E1480 P1498 I1499 L1576 | A1472-A1476 WeakPolarHBondContact O-CB 3.4Å; A1472-A1476 PolarHBondContact O-N 3.25Å; A1473-A1476 CarbonylContact O-C 3.59Å; A1473-A1476 PolarHBondContact O-N 3.42Å; C1474-A1476 VanDerWaalsContact C-N 3.29Å; C1474-A1476 PolarHBondContact O-N 3.29Å; A1476-Y1479 PolarHBondContact O-N 3.02Å; A1476-E1480 PolarHBondContact O-N 2.89Å; A1476-P1498 HydrophobicContact CB-CB 3.89Å; A1476-I1499 HydrophobicContact CB-CG1 4.12Å; A1476-L1576 HydrophobicContact CB-CD1 3.55Å; A1476-L1576 HydrophobicContact CB-CD2 4.4Å |
| 1477 | E | 91.8 | Very high | 80.5 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 23% | 0.234 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 172.4 | -145.6 | -178.8 | 175.6 | 0 | 0 | 111.4 | A1473 C1474 Y1479 E1480 L1481 K1568 L1572 | A1473-E1477 PolarHBondContact O-N 3.12Å; C1474-E1477 PolarHBondContact O-N 3.16Å; E1477-Y1479 VanDerWaalsContact C-N 3.32Å; E1477-E1480 PolarHBondContact O-N 2.88Å; E1477-L1481 WeakPolarHBondContact O-CD1 3.47Å; E1477-L1481 VanDerWaalsContact O-CG 3.28Å; E1477-L1481 WeakPolarHBondContact O-CG 3.22Å; E1477-L1481 PolarHBondContact O-N 3.45Å; E1477-K1568 WeakPolarHBondContact OE1-CE 3.35Å; E1477-K1568 IonicContact OE1-NZ 2.93Å; E1477-K1568 PolarHBondContact OE1-NZ 3.18Å; E1477-K1568 WeakPolarHBondContact OE2-CE 3.46Å; E1477-K1568 IonicContact OE2-NZ 2.74Å; E1477-K1568 PolarHBondContact OE2-NZ 2.75Å; E1477-L1572 HydrophobicContact CB-CD2 3.52Å; E1477-L1572 HydrophobicContact CG-CD1 4.37Å; E1477-L1572 HydrophobicContact CG-CD2 3.62Å |
| 1478 | V | 89.5 | Confident | 78 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | C1474 E1475 L1481 Q1482 | C1474-V1478 PolarHBondContact O-N 3.1Å; E1475-V1478 PolarHBondContact O-N 2.7Å; V1478-L1481 PolarHBondContact O-N 2.88Å; V1478-Q1482 WeakPolarHBondContact O-CG 3.22Å; V1478-Q1482 PolarHBondContact O-N 3.3Å |
| 1479 | Y | 88.5 | Confident | 75.3 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 30% | 0.302 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 177 | -170.6 | -84 | 0 | 0 | 0 | 113.2 | E1475 A1476 E1477 L1481 Q1482 N1497 P1498 I1499 | E1475-Y1479 PolarHBondContact O-N 2.98Å; A1476-Y1479 PolarHBondContact O-N 3.02Å; E1477-Y1479 VanDerWaalsContact C-N 3.32Å; Y1479-L1481 PolarHBondContact O-N 2.98Å; Y1479-Q1482 PolarHBondContact O-N 3.41Å; Y1479-N1497 WeakPolarHBondContact CE1-ND2 3.34Å; Y1479-N1497 PolarHBondContact OH-ND2 2.78Å; Y1479-N1497 VanDerWaalsContact OH-ND2 3.15Å; Y1479-P1498 HydrophobicContact CD2-CG 4.33Å; Y1479-P1498 HydrophobicContact CG-CG 4.41Å; Y1479-I1499 HydrophobicContact CD1-CD1 4.01Å; Y1479-I1499 HydrophobicContact CD1-CG1 4.35Å; Y1479-I1499 HydrophobicContact CE1-CD1 4.42Å |
| 1480 | E | 85.3 | Confident | 72.4 | Confident | 64 Ų | 64 | 84.8 Ų | 84.8 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -22.6 | 174 | -89.3 | -170 | 176.1 | 0 | 0 | 113.9 | A1476 E1477 I1499 R1575 L1576 Y1580 | A1476-E1480 PolarHBondContact O-N 2.89Å; E1477-E1480 PolarHBondContact O-N 2.88Å; E1480-I1499 HydrophobicContact CG-CD1 4.08Å; E1480-R1575 IonicContact OE1-CZ 2.66Å; E1480-R1575 IonicContact OE1-NH1 3.2Å; E1480-R1575 PolarHBondContact OE1-NH1 2.87Å; E1480-R1575 IonicContact OE1-NH2 2.85Å; E1480-R1575 PolarHBondContact OE1-NH2 3.11Å; E1480-R1575 IonicContact OE2-CZ 3.75Å; E1480-R1575 VanDerWaalsContact OE2-CZ 3.31Å; E1480-R1575 IonicContact OE2-NH1 3.85Å; E1480-R1575 IonicContact OE2-NH2 4Å; E1480-R1575 PolarHBondContact OE2-NH2 3.3Å; E1480-L1576 WeakPolarHBondContact OE1-CD2 3.19Å; E1480-Y1580 WeakPolarHBondContact OE1-CE2 3.5Å; E1480-Y1580 PolarHBondContact OE1-OH 3.15Å |
| 1481 | L | 80.5 | Confident | 69.7 | Low | 139 Ų | 139 | 91 Ų | 91 | 73% | 0.728 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -2.5 | -178.6 | -69.4 | 170.7 | 0 | 0 | 0 | 113.6 | E1477 V1478 Y1479 | E1477-L1481 WeakPolarHBondContact O-CD1 3.47Å; E1477-L1481 VanDerWaalsContact O-CG 3.28Å; E1477-L1481 WeakPolarHBondContact O-CG 3.22Å; E1477-L1481 PolarHBondContact O-N 3.45Å; V1478-L1481 PolarHBondContact O-N 2.88Å; Y1479-L1481 PolarHBondContact O-N 2.98Å |
| 1482 | Q | 76.9 | Confident | 67 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -88.9 | 120 | 171.6 | -74 | 169.4 | -12.2 | 0 | 0 | 108.7 | V1478 Y1479 K1484 | V1478-Q1482 WeakPolarHBondContact O-CG 3.22Å; V1478-Q1482 PolarHBondContact O-N 3.3Å; Y1479-Q1482 PolarHBondContact O-N 3.41Å; Q1482-K1484 PolarHBondContact O-N 3.48Å |
| 1483 | D | 51.6 | Low | 64.5 | Low | 129 Ų | 129 | 97.4 Ų | 97.4 | 69% | 0.69 | 55% | 0.547 | S | S | * | . | trans | -59 | 133.1 | -175.4 | -84.5 | -48.6 | 0 | 0 | 0 | 111.8 | D1485 S1486 | D1483-D1485 PolarHBondContact O-N 3.26Å; D1483-S1486 WeakPolarHBondContact O-CB 3.19Å; D1483-S1486 PolarHBondContact O-N 2.88Å; D1483-S1486 PolarHBondContact O-OG 2.91Å | ||
| 1484 | K | 55.3 | Low | 62.7 | Low | 184 Ų | 184 | 103.6 Ų | 103.6 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -59.3 | -24.3 | -175.9 | -69.6 | -177 | 177 | 179.7 | 0 | 113.2 | Q1482 S1486 I1487 | Q1482-K1484 PolarHBondContact O-N 3.48Å; K1484-S1486 PolarHBondContact O-N 3.5Å; K1484-S1486 VanDerWaalsContact O-N 3.16Å; K1484-I1487 PolarHBondContact O-N 2.83Å |
| 1485 | D | 47.4 | Very low | 60.9 | Low | 151 Ų | 151 | 106.9 Ų | 106.9 | 81% | 0.807 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -71.9 | -2.4 | -179.5 | -53.7 | -26.1 | 0 | 0 | 0 | 113 | D1483 | D1483-D1485 PolarHBondContact O-N 3.26Š|
| 1486 | S | 48.9 | Very low | 59.7 | Low | 85 Ų | 85 | 106.6 Ų | 106.6 | 59% | 0.594 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -93.6 | -7.5 | 175.2 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | D1483 K1484 T1488 | D1483-S1486 WeakPolarHBondContact O-CB 3.19Å; D1483-S1486 PolarHBondContact O-N 2.88Å; D1483-S1486 PolarHBondContact O-OG 2.91Å; K1484-S1486 PolarHBondContact O-N 3.5Å; K1484-S1486 VanDerWaalsContact O-N 3.16Å; S1486-T1488 PolarHBondContact O-N 2.94Å |
| 1487 | I | 46.6 | Very low | 59.5 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 54% | 0.544 | 61% | 0.61 | S | S | . | * | trans | -102 | 55.5 | -174.8 | -43 | -176 | 0 | 0 | 0 | 111.8 | K1484 | K1484-I1487 PolarHBondContact O-N 2.83Š| ||
| 1488 | T | 37 | Very low | 59.3 | Low | 137 Ų | 137 | 107.7 Ų | 107.7 | 84% | 0.84 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -126.7 | 66.8 | 166.2 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | S1486 | S1486-T1488 PolarHBondContact O-N 2.94Š|
| 1489 | G | 36.5 | Very low | 59.4 | Low | 72 Ų | 72 | 104.4 Ų | 104.4 | 74% | 0.742 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 130.4 | 81.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1490 | S | 33.5 | Very low | 59.6 | Low | 114 Ų | 114 | 105.8 Ų | 105.8 | 80% | 0.797 | 60% | 0.595 | S | S | * | * | trans | -167.7 | 129.8 | 139.5 | 30.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1491 | N | 36 | Very low | 59.9 | Low | 147 Ų | 147 | 106.9 Ų | 106.9 | 79% | 0.786 | 60% | 0.599 | S | S | * | * | trans | 38.1 | 105.4 | 154.8 | -59.2 | -10.8 | 0 | 0 | 0 | 119.5 | S1493 | N1491-S1493 PolarHBondContact O-N 3.35Š| ||
| 1492 | L | 34.9 | Very low | 60.5 | Low | 188 Ų | 188 | 100.2 Ų | 100.2 | 98% | 0.984 | 57% | 0.565 | S | S | * | * | trans | -49.1 | 100.9 | 156.9 | -179.4 | 72.2 | 0 | 0 | 0 | 110.8 | ||||
| 1493 | S | 42.1 | Very low | 61.4 | Low | 88 Ų | 88 | 95.7 Ų | 95.7 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | trans | -117.7 | 149 | 168.9 | 51.2 | 0 | 0 | 0 | 0 | 109 | N1491 D1495 | N1491-S1493 PolarHBondContact O-N 3.35Å; S1493-D1495 PolarHBondContact O-N 3.25Å | ||
| 1494 | T | 55 | Low | 63.3 | Low | 130 Ų | 130 | 93.8 Ų | 93.8 | 80% | 0.798 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -77.8 | 2.8 | -165.8 | 41.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1495 | D | 57 | Low | 65.2 | Low | 128 Ų | 128 | 85.9 Ų | 85.9 | 68% | 0.684 | 49% | 0.494 | S | S | * | . | trans | -78.9 | 132.3 | -178.7 | -84.9 | -44.5 | 0 | 0 | 0 | 112.6 | S1493 | S1493-D1495 PolarHBondContact O-N 3.25Š| ||
| 1496 | L | 68.3 | Low | 67.4 | Low | 52 Ų | 52 | 78.8 Ų | 78.8 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | trans | -72.9 | 136.1 | -179 | -84.4 | 141.3 | 0 | 0 | 0 | 111.8 | Q1500 R1504 | L1496-Q1500 HydrophobicContact CD2-CB 4.38Å; L1496-R1504 VanDerWaalsContact CD2-CZ 3.47Å | ||
| 1497 | N | 86.7 | Confident | 69.5 | Low | 45 Ų | 45 | 78.3 Ų | 78.3 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | trans | -43.9 | 127.7 | 170.2 | 177.3 | -52.5 | 0 | 0 | 0 | 110.6 | Y1479 I1499 Q1500 K1501 | Y1479-N1497 WeakPolarHBondContact CE1-ND2 3.34Å; Y1479-N1497 PolarHBondContact OH-ND2 2.78Å; Y1479-N1497 VanDerWaalsContact OH-ND2 3.15Å; N1497-I1499 PolarHBondContact O-N 3.45Å; N1497-I1499 VanDerWaalsContact OD1-CB 3.28Å; N1497-I1499 WeakPolarHBondContact OD1-CB 3.21Å; N1497-I1499 PolarHBondContact OD1-N 3.15Å; N1497-Q1500 HydrophobicContact CB-CB 4.29Å; N1497-Q1500 HydrophobicContact CB-CG 4.18Å; N1497-Q1500 CarbonylContact O-C 3.52Å; N1497-Q1500 WeakPolarHBondContact O-CA 3.33Å; N1497-Q1500 WeakPolarHBondContact O-CB 3.49Å; N1497-Q1500 PolarHBondContact O-N 3.26Å; N1497-K1501 PolarHBondContact O-N 2.85Å | ||
| 1498 | P | 88.4 | Confident | 71.7 | Confident | 27 Ų | 27 | 76.3 Ų | 76.3 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -54.6 | -29.4 | -176.2 | -31.4 | 37.9 | 0 | 0 | 0 | 115.6 | E1475 A1476 Y1479 K1501 C1502 | E1475-P1498 HydrophobicContact CB-CB 3.99Å; E1475-P1498 HydrophobicContact CB-CG 4.31Å; A1476-P1498 HydrophobicContact CB-CB 3.89Å; Y1479-P1498 HydrophobicContact CD2-CG 4.33Å; Y1479-P1498 HydrophobicContact CG-CG 4.41Å; P1498-K1501 WeakPolarHBondContact O-CB 3.32Å; P1498-K1501 PolarHBondContact O-N 3.39Å; P1498-C1502 PolarHBondContact O-N 2.78Å; P1498-C1502 PolarHBondContact O-SG 2.57Å |
| 1499 | I | 91.6 | Very high | 74.4 | Confident | 20 Ų | 20 | 70 Ų | 70 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 174.4 | -57.2 | 174.8 | 0 | 0 | 0 | 110.5 | A1476 Y1479 E1480 N1497 K1501 C1502 C1503 L1576 Y1580 | A1476-I1499 HydrophobicContact CB-CG1 4.12Å; Y1479-I1499 HydrophobicContact CD1-CD1 4.01Å; Y1479-I1499 HydrophobicContact CD1-CG1 4.35Å; Y1479-I1499 HydrophobicContact CE1-CD1 4.42Å; E1480-I1499 HydrophobicContact CG-CD1 4.08Å; N1497-I1499 PolarHBondContact O-N 3.45Å; N1497-I1499 VanDerWaalsContact OD1-CB 3.28Å; N1497-I1499 WeakPolarHBondContact OD1-CB 3.21Å; N1497-I1499 PolarHBondContact OD1-N 3.15Å; I1499-K1501 VanDerWaalsContact C-N 3.32Å; I1499-K1501 PolarHBondContact O-N 3.46Å; I1499-C1502 WeakPolarHBondContact O-CB 3.49Å; I1499-C1502 PolarHBondContact O-N 2.93Å; I1499-C1503 PolarHBondContact O-N 3.38Å; I1499-C1503 VanDerWaalsContact O-N 3.1Å; I1499-C1503 PolarHBondContact O-SG 3.4Å; I1499-L1576 HydrophobicContact CG1-CD2 4.36Å; I1499-L1576 HydrophobicContact CG2-CD2 4.41Å; I1499-Y1580 HydrophobicContact CD1-CE2 4.14Å; I1499-Y1580 HydrophobicContact CG2-CD1 4.29Å; I1499-Y1580 HydrophobicContact CG2-CD2 3.3Å; I1499-Y1580 HydrophobicContact CG2-CE2 3.88Å; I1499-Y1580 HydrophobicContact CG2-CG 3.54Å |
| 1500 | Q | 91.8 | Very high | 77 | Confident | 105 Ų | 105 | 72 Ų | 72 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.5 | -33.2 | 174.6 | -66.7 | -179.7 | -16.9 | 0 | 0 | 111.8 | L1496 N1497 C1503 R1504 | L1496-Q1500 HydrophobicContact CD2-CB 4.38Å; N1497-Q1500 HydrophobicContact CB-CB 4.29Å; N1497-Q1500 HydrophobicContact CB-CG 4.18Å; N1497-Q1500 CarbonylContact O-C 3.52Å; N1497-Q1500 WeakPolarHBondContact O-CA 3.33Å; N1497-Q1500 WeakPolarHBondContact O-CB 3.49Å; N1497-Q1500 PolarHBondContact O-N 3.26Å; Q1500-C1503 PolarHBondContact O-N 2.82Å; Q1500-R1504 WeakPolarHBondContact O-CB 3.34Å; Q1500-R1504 WeakPolarHBondContact O-CG 3.43Å; Q1500-R1504 PolarHBondContact O-N 3.01Å |
| 1501 | K | 91.8 | Very high | 79.8 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 171.3 | -171.1 | -179.4 | -176.3 | 178.4 | 0 | 111.2 | A1472 E1475 N1497 P1498 I1499 C1503 R1504 L1505 | A1472-K1501 HydrophobicContact CB-CD 4.36Å; A1472-K1501 HydrophobicContact CB-CG 4.26Å; E1475-K1501 IonicContact OE1-NZ 3.94Å; E1475-K1501 PolarHBondContact OE1-NZ 3.42Å; E1475-K1501 WeakPolarHBondContact OE2-CE 3.24Å; E1475-K1501 IonicContact OE2-NZ 3.89Å; E1475-K1501 PolarHBondContact OE2-NZ 2.87Å; N1497-K1501 PolarHBondContact O-N 2.85Å; P1498-K1501 WeakPolarHBondContact O-CB 3.32Å; P1498-K1501 PolarHBondContact O-N 3.39Å; I1499-K1501 VanDerWaalsContact C-N 3.32Å; I1499-K1501 PolarHBondContact O-N 3.46Å; K1501-C1503 PolarHBondContact O-N 2.89Å; K1501-R1504 PolarHBondContact O-N 2.87Å; K1501-L1505 WeakPolarHBondContact O-CG 3.36Å; K1501-L1505 PolarHBondContact O-N 3.02Å |
| 1502 | C | 94.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 172.4 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | A1472 P1498 I1499 L1505 F1573 L1576 | A1472-C1502 PolarHBondContact O-SG 3.39Å; A1472-C1502 VanDerWaalsContact O-SG 3.33Å; P1498-C1502 PolarHBondContact O-N 2.78Å; P1498-C1502 PolarHBondContact O-SG 2.57Å; I1499-C1502 WeakPolarHBondContact O-CB 3.49Å; I1499-C1502 PolarHBondContact O-N 2.93Å; C1502-L1505 PolarHBondContact O-N 2.99Å; C1502-F1573 HydrophobicContact CB-CD2 4.11Å; C1502-F1573 HydrophobicContact CB-CE2 3.9Å; C1502-F1573 WeakPolarHBondContact O-CE2 3.24Å; C1502-L1576 HydrophobicContact CB-CD1 4.32Å |
| 1503 | C | 94.4 | Very high | 85.3 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.095 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | I1499 Q1500 K1501 L1505 V1506 L1581 | I1499-C1503 PolarHBondContact O-N 3.38Å; I1499-C1503 VanDerWaalsContact O-N 3.1Å; I1499-C1503 PolarHBondContact O-SG 3.4Å; Q1500-C1503 PolarHBondContact O-N 2.82Å; K1501-C1503 PolarHBondContact O-N 2.89Å; C1503-L1505 VanDerWaalsContact C-N 3.27Å; C1503-L1505 PolarHBondContact O-N 3.41Å; C1503-V1506 VanDerWaalsContact O-CB 3.27Å; C1503-V1506 WeakPolarHBondContact O-CB 3.3Å; C1503-V1506 WeakPolarHBondContact O-CG2 3.48Å; C1503-V1506 PolarHBondContact O-N 3.42Å; C1503-V1506 VanDerWaalsContact O-N 3.08Å; C1503-L1581 HydrophobicContact CB-CD1 3.69Å |
| 1504 | R | 92.4 | Very high | 87.8 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -23.8 | 179.7 | -73.6 | -178 | -177.5 | -155.3 | 1.1 | 113.6 | L1496 Q1500 K1501 V1506 R1507 | L1496-R1504 VanDerWaalsContact CD2-CZ 3.47Å; Q1500-R1504 WeakPolarHBondContact O-CB 3.34Å; Q1500-R1504 WeakPolarHBondContact O-CG 3.43Å; Q1500-R1504 PolarHBondContact O-N 3.01Å; K1501-R1504 PolarHBondContact O-N 2.87Å; R1504-V1506 PolarHBondContact O-N 3.39Å; R1504-R1507 VanDerWaalsContact O-CB 3.26Å; R1504-R1507 WeakPolarHBondContact O-CB 3.47Å; R1504-R1507 WeakPolarHBondContact O-CG 3.22Å; R1504-R1507 PolarHBondContact O-N 3.39Å |
| 1505 | L | 94.6 | Very high | 89.6 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -64.1 | -18.5 | 172.3 | -73.1 | 170.6 | 0 | 0 | 0 | 113.3 | L1465 M1468 A1472 K1501 C1502 C1503 R1507 C1508 F1573 | L1465-L1505 HydrophobicContact CD1-CD2 4.28Å; M1468-L1505 HydrophobicContact CB-CD1 4.31Å; M1468-L1505 HydrophobicContact CB-CD2 4.11Å; M1468-L1505 HydrophobicContact CE-CD2 4.33Å; A1472-L1505 HydrophobicContact CB-CD1 3.76Å; K1501-L1505 WeakPolarHBondContact O-CG 3.36Å; K1501-L1505 PolarHBondContact O-N 3.02Å; C1502-L1505 PolarHBondContact O-N 2.99Å; C1503-L1505 VanDerWaalsContact C-N 3.27Å; C1503-L1505 PolarHBondContact O-N 3.41Å; L1505-R1507 PolarHBondContact O-N 2.57Å; L1505-C1508 WeakPolarHBondContact O-CB 3.34Å; L1505-C1508 PolarHBondContact O-N 3.13Å; L1505-C1508 VanDerWaalsContact O-N 3.15Å; L1505-F1573 HydrophobicContact CB-CZ 4.45Å; L1505-F1573 HydrophobicContact CD1-CE2 4.43Å |
| 1506 | V | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -62.3 | -25.7 | 169.8 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | C1503 R1504 C1508 L1509 R1514 L1517 L1518 L1577 L1581 | C1503-V1506 VanDerWaalsContact O-CB 3.27Å; C1503-V1506 WeakPolarHBondContact O-CB 3.3Å; C1503-V1506 WeakPolarHBondContact O-CG2 3.48Å; C1503-V1506 PolarHBondContact O-N 3.42Å; C1503-V1506 VanDerWaalsContact O-N 3.08Å; R1504-V1506 PolarHBondContact O-N 3.39Å; V1506-C1508 VanDerWaalsContact C-N 3.29Å; V1506-C1508 PolarHBondContact O-N 3.35Å; V1506-L1509 HydrophobicContact CG1-CD1 4.42Å; V1506-L1509 WeakPolarHBondContact O-CB 3.28Å; V1506-L1509 PolarHBondContact O-N 3.15Å; V1506-R1514 HydrophobicContact CG1-CG 4.05Å; V1506-R1514 VanDerWaalsContact O-CD 3.27Å; V1506-R1514 WeakPolarHBondContact O-CD 3.48Å; V1506-R1514 WeakPolarHBondContact O-CG 3.5Å; V1506-L1517 HydrophobicContact CG1-CD2 4.42Å; V1506-L1517 HydrophobicContact CG2-CD2 4.41Å; V1506-L1518 HydrophobicContact CG1-CD2 4.38Å; V1506-L1577 HydrophobicContact CG2-CD1 3.88Å; V1506-L1577 HydrophobicContact CG2-CD2 3.65Å; V1506-L1577 HydrophobicContact CG2-CG 4.44Å; V1506-L1581 HydrophobicContact CG2-CD1 4.22Å; V1506-L1581 HydrophobicContact CG2-CD2 4.23Å |
| 1507 | R | 93.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -74.6 | -17 | 176.7 | -51.3 | -171.8 | -173.6 | -172.6 | 1.6 | 113.6 | R1504 L1505 L1509 E1586 Y1589 | R1504-R1507 VanDerWaalsContact O-CB 3.26Å; R1504-R1507 WeakPolarHBondContact O-CB 3.47Å; R1504-R1507 WeakPolarHBondContact O-CG 3.22Å; R1504-R1507 PolarHBondContact O-N 3.39Å; L1505-R1507 PolarHBondContact O-N 2.57Å; R1507-L1509 PolarHBondContact O-N 2.89Å; R1507-E1586 VanDerWaalsContact CG-OE2 3.28Å; R1507-E1586 WeakPolarHBondContact CG-OE2 3.18Å; R1507-E1586 IonicContact CZ-OE1 3.1Å; R1507-E1586 IonicContact CZ-OE2 2.64Å; R1507-E1586 IonicContact NE-OE1 3.97Å; R1507-E1586 PolarHBondContact NE-OE1 2.77Å; R1507-E1586 IonicContact NE-OE2 3.31Å; R1507-E1586 PolarHBondContact NE-OE2 2.86Å; R1507-E1586 IonicContact NH2-OE1 3.89Å; R1507-E1586 PolarHBondContact NH2-OE1 3.35Å; R1507-Y1589 VanDerWaalsContact CZ-CD2 3.45Å; R1507-Y1589 VanDerWaalsContact NH2-CD2 3.29Å |
| 1508 | C | 93.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 43% | 0.432 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -80.2 | 2.7 | 174.3 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | L1465 L1505 V1506 | L1465-C1508 HydrophobicContact CD1-CB 3.61Å; L1465-C1508 HydrophobicContact CD2-CB 3.97Å; L1465-C1508 HydrophobicContact CG-CB 4.48Å; L1505-C1508 WeakPolarHBondContact O-CB 3.34Å; L1505-C1508 PolarHBondContact O-N 3.13Å; L1505-C1508 VanDerWaalsContact O-N 3.15Å; V1506-C1508 VanDerWaalsContact C-N 3.29Å; V1506-C1508 PolarHBondContact O-N 3.35Å |
| 1509 | L | 93 | Very high | 93.4 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -93.7 | 136.2 | 175.8 | -62.7 | 173.3 | 0 | 0 | 0 | 110.5 | P1462 L1465 V1506 R1507 R1514 L1517 | P1462-L1509 HydrophobicContact CG-CD2 4.22Å; L1465-L1509 HydrophobicContact CD2-CD2 3.62Å; L1465-L1509 HydrophobicContact CD2-CG 4.1Å; V1506-L1509 HydrophobicContact CG1-CD1 4.42Å; V1506-L1509 WeakPolarHBondContact O-CB 3.28Å; V1506-L1509 PolarHBondContact O-N 3.15Å; R1507-L1509 PolarHBondContact O-N 2.89Å; L1509-R1514 HydrophobicContact CB-CB 3.89Å; L1509-R1514 HydrophobicContact CB-CG 4.45Å; L1509-L1517 HydrophobicContact CD1-CB 4.45Å; L1509-L1517 HydrophobicContact CD1-CD2 3.47Å; L1509-L1517 VanDerWaalsContact CD1-CD2 3.47Å |
| 1510 | N | 91.1 | Very high | 93.5 | Very high | 113 Ų | 113 | 32 Ų | 32 | 60% | 0.604 | 16% | 0.157 | S | C | * | . | trans | -51.7 | 148.5 | 171.6 | -66.2 | 6.4 | 0 | 0 | 0 | 111.3 | L1512 P1513 R1514 | N1510-L1512 VanDerWaalsContact C-N 3.33Å; N1510-L1512 PolarHBondContact O-N 3.45Å; N1510-L1512 VanDerWaalsContact O-N 3.1Å; N1510-P1513 HydrophobicContact CB-CG 4.18Å; N1510-P1513 VanDerWaalsContact O-CD 3.24Å; N1510-P1513 WeakPolarHBondContact O-CD 3.48Å; N1510-R1514 WeakPolarHBondContact O-CB 3.25Å; N1510-R1514 PolarHBondContact O-N 3.44Å | ||
| 1511 | P | 91.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 27 Ų | 27 | 18% | 0.175 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -49.4 | -43.4 | -171.2 | -32.7 | 35.1 | 0 | 0 | 0 | 116 | R1514 R1515 L1590 R1597 | P1511-R1514 PolarHBondContact O-N 3.39Å; P1511-R1515 VanDerWaalsContact O-CB 3.27Å; P1511-R1515 WeakPolarHBondContact O-CB 3.41Å; P1511-R1515 PolarHBondContact O-N 3.34Å; P1511-L1590 HydrophobicContact CB-CD1 3.9Å; P1511-R1597 VanDerWaalsContact CG-NH2 3.26Å |
| 1512 | L | 91.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 23.8 Ų | 23.8 | 14% | 0.141 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.5 | -53.1 | -179 | 172.6 | 62.8 | 0 | 0 | 0 | 112.8 | L1238 M1242 N1510 R1514 R1515 S1516 | L1238-L1512 HydrophobicContact CB-CD2 3.66Å; L1238-L1512 HydrophobicContact CB-CG 3.92Å; L1238-L1512 HydrophobicContact CD1-CG 4.35Å; M1242-L1512 HydrophobicContact CB-CD2 4.47Å; M1242-L1512 HydrophobicContact CG-CD1 3.71Å; M1242-L1512 HydrophobicContact CG-CD2 3.53Å; M1242-L1512 HydrophobicContact CG-CG 4.28Å; M1242-L1512 HydrophobicContact SD-CD1 3.97Å; N1510-L1512 VanDerWaalsContact C-N 3.33Å; N1510-L1512 PolarHBondContact O-N 3.45Å; N1510-L1512 VanDerWaalsContact O-N 3.1Å; L1512-R1514 VanDerWaalsContact C-N 3.3Å; L1512-R1514 PolarHBondContact O-N 3.19Å; L1512-R1515 PolarHBondContact O-N 2.82Å; L1512-S1516 WeakPolarHBondContact O-CB 3.38Å; L1512-S1516 PolarHBondContact O-N 3.09Å |
| 1513 | P | 94.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 14% | 0.143 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -52 | -42.6 | 166.1 | -29.3 | 33.1 | 0 | 0 | 0 | 114.2 | L1238 L1460 N1510 S1516 L1517 | L1238-P1513 HydrophobicContact CD1-CB 4.37Å; L1238-P1513 HydrophobicContact CD1-CG 4.09Å; L1460-P1513 HydrophobicContact CD1-CB 4.25Å; N1510-P1513 HydrophobicContact CB-CG 4.18Å; N1510-P1513 VanDerWaalsContact O-CD 3.24Å; N1510-P1513 WeakPolarHBondContact O-CD 3.48Å; P1513-S1516 PolarHBondContact O-N 2.9Å; P1513-L1517 WeakPolarHBondContact O-CB 3.35Å; P1513-L1517 PolarHBondContact O-N 2.89Å |
| 1514 | R | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 179.4 | -171.4 | 168.9 | 167.9 | -151.3 | -3.2 | 111.7 | V1506 L1509 N1510 P1511 L1512 S1516 L1517 L1518 E1586 E1593 | V1506-R1514 HydrophobicContact CG1-CG 4.05Å; V1506-R1514 VanDerWaalsContact O-CD 3.27Å; V1506-R1514 WeakPolarHBondContact O-CD 3.48Å; V1506-R1514 WeakPolarHBondContact O-CG 3.5Å; L1509-R1514 HydrophobicContact CB-CB 3.89Å; L1509-R1514 HydrophobicContact CB-CG 4.45Å; N1510-R1514 WeakPolarHBondContact O-CB 3.25Å; N1510-R1514 PolarHBondContact O-N 3.44Å; P1511-R1514 PolarHBondContact O-N 3.39Å; L1512-R1514 VanDerWaalsContact C-N 3.3Å; L1512-R1514 PolarHBondContact O-N 3.19Å; R1514-S1516 PolarHBondContact O-N 3.21Å; R1514-L1517 PolarHBondContact O-N 2.93Å; R1514-L1518 HydrophobicContact CG-CD1 4.33Å; R1514-L1518 WeakPolarHBondContact O-CG 3.37Å; R1514-L1518 PolarHBondContact O-N 3.46Å; R1514-E1586 IonicContact CZ-OE2 3Å; R1514-E1586 IonicContact NE-OE2 2.68Å; R1514-E1586 PolarHBondContact NH2-O 2.92Å; R1514-E1586 IonicContact NH2-OE2 3.61Å; R1514-E1586 PolarHBondContact NH2-OE2 2.65Å; R1514-E1593 IonicContact CZ-OE2 3.61Å; R1514-E1593 IonicContact NH1-OE2 2.64Å; R1514-E1593 PolarHBondContact NH1-OE2 3.43Å |
| 1515 | R | 93.4 | Very high | 94 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 4% | 0.038 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 174.3 | -172.9 | 177.5 | -97.5 | 120.2 | 7.2 | 112 | R1253 L1254 L1377 P1511 L1512 L1517 L1518 Y1519 L1590 E1594 | R1253-R1515 WeakPolarHBondContact O-CD 3.48Å; L1254-R1515 HydrophobicContact CD1-CG 4.39Å; L1254-R1515 HydrophobicContact CD2-CB 4.35Å; L1254-R1515 HydrophobicContact CD2-CG 3.8Å; L1254-R1515 HydrophobicContact CG-CG 3.87Å; L1377-R1515 HydrophobicContact CD2-CG 4.2Å; L1377-R1515 WeakPolarHBondContact O-CD 3.41Å; L1377-R1515 WeakPolarHBondContact O-CG 3.27Å; L1377-R1515 PolarHBondContact O-NE 3.46Å; P1511-R1515 VanDerWaalsContact O-CB 3.27Å; P1511-R1515 WeakPolarHBondContact O-CB 3.41Å; P1511-R1515 PolarHBondContact O-N 3.34Å; L1512-R1515 PolarHBondContact O-N 2.82Å; R1515-L1517 PolarHBondContact O-N 3.12Å; R1515-L1518 PolarHBondContact O-N 2.88Å; R1515-Y1519 PolarHBondContact O-N 2.84Å; R1515-L1590 HydrophobicContact CB-CD2 3.98Å; R1515-E1594 IonicContact CZ-OE1 3.69Å; R1515-E1594 IonicContact CZ-OE2 3.82Å; R1515-E1594 IonicContact NH1-OE1 3.01Å; R1515-E1594 PolarHBondContact NH1-OE1 3.23Å; R1515-E1594 IonicContact NH1-OE2 3.45Å; R1515-E1594 VanDerWaalsContact NH2-CD 3.33Å; R1515-E1594 IonicContact NH2-OE1 3.26Å; R1515-E1594 PolarHBondContact NH2-OE1 2.95Å; R1515-E1594 IonicContact NH2-OE2 2.68Å; R1515-E1594 PolarHBondContact NH2-OE2 3.38Å |
| 1516 | S | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | Q1258 L1460 L1512 P1513 R1514 L1520 | Q1258-S1516 PolarHBondContact NE2-O 3.14Å; Q1258-S1516 PolarHBondContact OE1-OG 3.36Å; L1460-S1516 WeakPolarHBondContact CD1-OG 3.45Å; L1512-S1516 WeakPolarHBondContact O-CB 3.38Å; L1512-S1516 PolarHBondContact O-N 3.09Å; P1513-S1516 PolarHBondContact O-N 2.9Å; R1514-S1516 PolarHBondContact O-N 3.21Å; S1516-L1520 PolarHBondContact O-N 3.47Å |
| 1517 | L | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.6 | -46.2 | 174.1 | -177.4 | 61.8 | 0 | 0 | 0 | 111.7 | L1460 I1461 V1506 L1509 P1513 R1514 R1515 Y1519 L1520 I1521 I1551 L1577 | L1460-L1517 HydrophobicContact CD2-CB 4.1Å; L1460-L1517 HydrophobicContact CD2-CD1 4.05Å; L1460-L1517 HydrophobicContact CG-CB 4.3Å; I1461-L1517 HydrophobicContact CG1-CD2 4.38Å; V1506-L1517 HydrophobicContact CG1-CD2 4.42Å; V1506-L1517 HydrophobicContact CG2-CD2 4.41Å; L1509-L1517 HydrophobicContact CD1-CB 4.45Å; L1509-L1517 HydrophobicContact CD1-CD2 3.47Å; L1509-L1517 VanDerWaalsContact CD1-CD2 3.47Å; P1513-L1517 WeakPolarHBondContact O-CB 3.35Å; P1513-L1517 PolarHBondContact O-N 2.89Å; R1514-L1517 PolarHBondContact O-N 2.93Å; R1515-L1517 PolarHBondContact O-N 3.12Å; L1517-Y1519 VanDerWaalsContact C-N 3.34Å; L1517-Y1519 PolarHBondContact O-N 3.4Å; L1517-L1520 WeakPolarHBondContact O-CB 3.41Å; L1517-L1520 PolarHBondContact O-N 2.76Å; L1517-L1520 VanDerWaalsContact O-N 3.08Å; L1517-I1521 HydrophobicContact CD1-CD1 4.25Å; L1517-I1521 HydrophobicContact CD1-CG1 4.06Å; L1517-I1521 HydrophobicContact CG-CG1 4.21Å; L1517-I1521 WeakPolarHBondContact O-CG1 3.26Å; L1517-I1521 PolarHBondContact O-N 2.97Å; L1517-I1551 HydrophobicContact CD1-CD1 4.3Å; L1517-L1577 HydrophobicContact CD2-CD1 4.28Å |
| 1518 | L | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 178.1 | -71.8 | 170.9 | 0 | 0 | 0 | 111.6 | L1377 V1506 R1514 R1515 L1520 I1521 L1522 L1581 I1583 E1586 L1590 | L1377-L1518 HydrophobicContact CD2-CB 3.86Å; V1506-L1518 HydrophobicContact CG1-CD2 4.38Å; R1514-L1518 HydrophobicContact CG-CD1 4.33Å; R1514-L1518 WeakPolarHBondContact O-CG 3.37Å; R1514-L1518 PolarHBondContact O-N 3.46Å; R1515-L1518 PolarHBondContact O-N 2.88Å; L1518-L1520 VanDerWaalsContact C-N 3.31Å; L1518-L1520 PolarHBondContact O-N 3.03Å; L1518-I1521 PolarHBondContact O-N 3.27Å; L1518-L1522 WeakPolarHBondContact O-CB 3.39Å; L1518-L1522 PolarHBondContact O-N 3.49Å; L1518-L1581 HydrophobicContact CD2-CD2 3.8Å; L1518-I1583 HydrophobicContact CB-CG2 4.48Å; L1518-I1583 HydrophobicContact CD2-CG1 4.42Å; L1518-I1583 HydrophobicContact CD2-CG2 4.42Å; L1518-E1586 HydrophobicContact CD1-CB 4.24Å; L1518-E1586 HydrophobicContact CD2-CB 3.8Å; L1518-E1586 HydrophobicContact CD2-CG 4.46Å; L1518-L1590 HydrophobicContact CD1-CD2 4.18Å |
| 1519 | Y | 93.9 | Very high | 94 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -33 | 176.2 | -173.1 | -107.6 | 0 | 0 | 0 | 113.2 | L1254 Q1258 I1259 T1262 W1374 L1377 T1378 R1515 L1517 L1523 | L1254-Y1519 HydrophobicContact CD1-CD1 3.94Å; L1254-Y1519 HydrophobicContact CD1-CD2 3.85Å; L1254-Y1519 HydrophobicContact CD1-CE2 4.48Å; L1254-Y1519 HydrophobicContact CD1-CG 3.55Å; Q1258-Y1519 HydrophobicContact CG-CD1 4.03Å; Q1258-Y1519 HydrophobicContact CG-CE1 4.31Å; I1259-Y1519 HydrophobicContact CG1-CE1 4.37Å; T1262-Y1519 HydrophobicContact CG2-CE1 3.89Å; W1374-Y1519 HydrophobicContact CE3-CE2 4.29Å; W1374-Y1519 HydrophobicContact CZ3-CE2 4.34Å; L1377-Y1519 HydrophobicContact CB-CD2 4.48Å; L1377-Y1519 HydrophobicContact CD1-CD2 4.36Å; T1378-Y1519 HydrophobicContact CG2-CE2 4.18Å; R1515-Y1519 PolarHBondContact O-N 2.84Å; L1517-Y1519 VanDerWaalsContact C-N 3.34Å; L1517-Y1519 PolarHBondContact O-N 3.4Å; Y1519-L1523 PolarHBondContact O-N 2.82Å |
| 1520 | L | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.8 | -44.3 | 172.8 | 179.9 | 63 | 0 | 0 | 0 | 112.2 | L1453 L1460 S1516 L1517 L1518 L1522 L1523 L1524 I1547 I1551 | L1453-L1520 HydrophobicContact CD1-CD1 4.2Å; L1453-L1520 HydrophobicContact CD1-CD2 3.71Å; L1453-L1520 HydrophobicContact CD2-CD2 4.21Å; L1460-L1520 HydrophobicContact CD2-CD2 4.28Å; S1516-L1520 PolarHBondContact O-N 3.47Å; L1517-L1520 WeakPolarHBondContact O-CB 3.41Å; L1517-L1520 PolarHBondContact O-N 2.76Å; L1517-L1520 VanDerWaalsContact O-N 3.08Å; L1518-L1520 VanDerWaalsContact C-N 3.31Å; L1518-L1520 PolarHBondContact O-N 3.03Å; L1520-L1522 VanDerWaalsContact C-N 3.28Å; L1520-L1522 PolarHBondContact O-N 2.94Å; L1520-L1523 PolarHBondContact O-N 3.21Å; L1520-L1524 HydrophobicContact CD1-CD1 4.2Å; L1520-L1524 HydrophobicContact CD1-CG 4.45Å; L1520-L1524 HydrophobicContact CG-CD1 3.99Å; L1520-L1524 VanDerWaalsContact O-CG 3.29Å; L1520-L1524 WeakPolarHBondContact O-CG 3.36Å; L1520-L1524 PolarHBondContact O-N 3.11Å; L1520-I1547 HydrophobicContact CD2-CG2 4.34Å; L1520-I1551 HydrophobicContact CD2-CD1 4.43Å; L1520-I1551 HydrophobicContact CD2-CG2 3.93Å |
| 1521 | I | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 177 | -60.5 | -62.7 | 0 | 0 | 0 | 110.4 | L1517 L1518 L1524 Q1525 L1577 I1578 L1581 I1583 | L1517-I1521 HydrophobicContact CD1-CD1 4.25Å; L1517-I1521 HydrophobicContact CD1-CG1 4.06Å; L1517-I1521 HydrophobicContact CG-CG1 4.21Å; L1517-I1521 WeakPolarHBondContact O-CG1 3.26Å; L1517-I1521 PolarHBondContact O-N 2.97Å; L1518-I1521 PolarHBondContact O-N 3.27Å; I1521-L1524 CarbonylContact O-C 3.29Å; I1521-L1524 PolarHBondContact O-N 3.09Å; I1521-L1524 VanDerWaalsContact O-N 3.16Å; I1521-Q1525 HydrophobicContact CG2-CG 4.19Å; I1521-Q1525 WeakPolarHBondContact O-CB 3.45Å; I1521-Q1525 WeakPolarHBondContact O-CG 3.23Å; I1521-Q1525 PolarHBondContact O-N 3.33Å; I1521-L1577 HydrophobicContact CD1-CB 3.9Å; I1521-L1577 HydrophobicContact CD1-CD1 4.34Å; I1521-L1577 HydrophobicContact CG1-CB 4.34Å; I1521-I1578 HydrophobicContact CD1-CG1 4.27Å; I1521-L1581 HydrophobicContact CG2-CD2 4.27Å; I1521-I1583 HydrophobicContact CB-CD1 4.25Å; I1521-I1583 HydrophobicContact CG2-CD1 4.11Å |
| 1522 | L | 93.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 23 Ų | 23 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.3 | -175.5 | 55.6 | 0 | 0 | 0 | 112.7 | L1372 W1374 L1377 L1518 L1520 H1526 I1583 | L1372-L1522 HydrophobicContact CD2-CD1 3.93Å; L1372-L1522 HydrophobicContact CD2-CD2 3.59Å; L1372-L1522 HydrophobicContact CD2-CG 4.44Å; W1374-L1522 HydrophobicContact CE3-CD2 3.81Å; W1374-L1522 HydrophobicContact CH2-CD1 4.22Å; W1374-L1522 HydrophobicContact CH2-CD2 3.57Å; W1374-L1522 HydrophobicContact CH2-CG 3.71Å; W1374-L1522 HydrophobicContact CZ2-CD2 4.31Å; W1374-L1522 HydrophobicContact CZ3-CD2 3.29Å; W1374-L1522 HydrophobicContact CZ3-CG 3.81Å; L1377-L1522 HydrophobicContact CD1-CD2 3.55Å; L1518-L1522 WeakPolarHBondContact O-CB 3.39Å; L1518-L1522 PolarHBondContact O-N 3.49Å; L1520-L1522 VanDerWaalsContact C-N 3.28Å; L1520-L1522 PolarHBondContact O-N 2.94Å; L1522-H1526 PolarHBondContact O-N 3.27Å; L1522-I1583 HydrophobicContact CB-CD1 3.62Å; L1522-I1583 HydrophobicContact CD1-CD1 4.12Å; L1522-I1583 HydrophobicContact CG-CD1 4.42Å |
| 1523 | L | 93.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 170.8 | 170.2 | 62.6 | 0 | 0 | 0 | 111.2 | T1262 I1265 L1266 F1277 L1449 Y1519 L1520 H1526 L1527 | T1262-L1523 HydrophobicContact CG2-CB 4.35Å; T1262-L1523 HydrophobicContact CG2-CD1 4.23Å; T1262-L1523 HydrophobicContact CG2-CD2 4.07Å; T1262-L1523 HydrophobicContact CG2-CG 4.44Å; I1265-L1523 HydrophobicContact CD1-CD2 4.33Å; L1266-L1523 HydrophobicContact CD1-CD1 3.87Å; L1266-L1523 HydrophobicContact CD2-CD1 3.94Å; L1266-L1523 HydrophobicContact CG-CD1 3.95Å; F1277-L1523 HydrophobicContact CE2-CD2 4.32Å; F1277-L1523 HydrophobicContact CZ-CD2 4.03Å; L1449-L1523 HydrophobicContact CD2-CD2 4.06Å; Y1519-L1523 PolarHBondContact O-N 2.82Å; L1520-L1523 PolarHBondContact O-N 3.21Å; L1523-H1526 WeakPolarHBondContact O-CB 3.33Å; L1523-H1526 PolarHBondContact O-N 3.46Å; L1523-L1527 HydrophobicContact CD1-CD1 3.84Å; L1523-L1527 HydrophobicContact CD1-CG 4Å; L1523-L1527 HydrophobicContact CG-CD1 3.96Å; L1523-L1527 HydrophobicContact CG-CG 4.47Å; L1523-L1527 VanDerWaalsContact O-CG 3.32Å; L1523-L1527 WeakPolarHBondContact O-CG 3.28Å; L1523-L1527 PolarHBondContact O-N 3.14Å |
| 1524 | L | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.8 | -35.5 | -176.1 | -64.3 | 169.2 | 0 | 0 | 0 | 112.2 | F1277 L1520 I1521 L1527 S1528 L1543 I1547 I1578 | F1277-L1524 HydrophobicContact CD2-CD2 4.25Å; F1277-L1524 HydrophobicContact CE2-CD2 3.95Å; L1520-L1524 HydrophobicContact CD1-CD1 4.2Å; L1520-L1524 HydrophobicContact CD1-CG 4.45Å; L1520-L1524 HydrophobicContact CG-CD1 3.99Å; L1520-L1524 VanDerWaalsContact O-CG 3.29Å; L1520-L1524 WeakPolarHBondContact O-CG 3.36Å; L1520-L1524 PolarHBondContact O-N 3.11Å; I1521-L1524 CarbonylContact O-C 3.29Å; I1521-L1524 PolarHBondContact O-N 3.09Å; I1521-L1524 VanDerWaalsContact O-N 3.16Å; L1524-L1527 PolarHBondContact O-N 3.28Å; L1524-S1528 WeakPolarHBondContact O-CB 3.44Å; L1524-S1528 PolarHBondContact O-N 2.7Å; L1524-S1528 PolarHBondContact O-OG 2.78Å; L1524-L1543 HydrophobicContact CD2-CB 4.38Å; L1524-L1543 HydrophobicContact CD2-CD2 4.05Å; L1524-I1547 HydrophobicContact CD1-CB 4.36Å; L1524-I1547 HydrophobicContact CD1-CG1 3.96Å; L1524-I1547 HydrophobicContact CD1-CG2 3.98Å; L1524-I1547 HydrophobicContact CD2-CD1 4.19Å; L1524-I1547 HydrophobicContact CD2-CG1 3.82Å; L1524-I1578 HydrophobicContact CB-CD1 3.93Å; L1524-I1578 HydrophobicContact CB-CG1 3.93Å; L1524-I1578 HydrophobicContact CD1-CD1 4.2Å |
| 1525 | Q | 95 | Very high | 94 | Very high | 42 Ų | 42 | 32 Ų | 32 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -49.9 | 169.9 | -84.6 | 178.2 | -9.5 | 0 | 0 | 110.9 | I1521 L1527 S1528 K1529 I1578 L1581 | I1521-Q1525 HydrophobicContact CG2-CG 4.19Å; I1521-Q1525 WeakPolarHBondContact O-CB 3.45Å; I1521-Q1525 WeakPolarHBondContact O-CG 3.23Å; I1521-Q1525 PolarHBondContact O-N 3.33Å; Q1525-L1527 PolarHBondContact O-N 3.39Å; Q1525-S1528 WeakPolarHBondContact CA-OG 3.43Å; Q1525-S1528 PolarHBondContact O-N 3.4Å; Q1525-S1528 PolarHBondContact O-OG 2.91Å; Q1525-K1529 PolarHBondContact O-N 3.05Å; Q1525-I1578 HydrophobicContact CG-CG2 4.21Å; Q1525-I1578 WeakPolarHBondContact CG-O 3.29Å; Q1525-I1578 PolarHBondContact NE2-O 2.83Å; Q1525-L1581 PolarHBondContact NE2-O 2.89Å |
| 1526 | H | 91.7 | Very high | 94 | Very high | 53 Ų | 53 | 31.6 Ų | 31.6 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.3 | -53 | 174.8 | 176.2 | 84.5 | 0 | 0 | 0 | 111.6 | L1522 L1523 S1528 K1529 H1532 | L1522-H1526 PolarHBondContact O-N 3.27Å; L1523-H1526 WeakPolarHBondContact O-CB 3.33Å; L1523-H1526 PolarHBondContact O-N 3.46Å; H1526-S1528 VanDerWaalsContact C-N 3.26Å; H1526-S1528 PolarHBondContact O-N 2.75Å; H1526-K1529 WeakPolarHBondContact O-CB 3.25Å; H1526-K1529 WeakPolarHBondContact O-CG 3.36Å; H1526-K1529 PolarHBondContact O-N 2.92Å; H1526-H1532 AromaticContact CE1-CD2 3.88Å; H1526-H1532 AromaticContact CE1-NE2 3.65Å; H1526-H1532 AromaticContact NE2-CD2 3.83Å; H1526-H1532 AromaticContact NE2-NE2 3.93Å; H1526-H1532 PolarHBondContact O-CD2 3.39Å |
| 1527 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -32.5 | 179.6 | -64.7 | 173.2 | 0 | 0 | 0 | 113.1 | L1266 A1271 F1277 L1523 L1524 Q1525 K1529 L1543 | L1266-L1527 HydrophobicContact CD2-CD2 4.18Å; A1271-L1527 VanDerWaalsContact CA-CD2 3.46Å; A1271-L1527 HydrophobicContact CB-CD2 3.84Å; F1277-L1527 HydrophobicContact CD2-CD1 4.05Å; F1277-L1527 HydrophobicContact CE2-CD1 3.54Å; L1523-L1527 HydrophobicContact CD1-CD1 3.84Å; L1523-L1527 HydrophobicContact CD1-CG 4Å; L1523-L1527 HydrophobicContact CG-CD1 3.96Å; L1523-L1527 HydrophobicContact CG-CG 4.47Å; L1523-L1527 VanDerWaalsContact O-CG 3.32Å; L1523-L1527 WeakPolarHBondContact O-CG 3.28Å; L1523-L1527 PolarHBondContact O-N 3.14Å; L1524-L1527 PolarHBondContact O-N 3.28Å; Q1525-L1527 PolarHBondContact O-N 3.39Å; L1527-K1529 VanDerWaalsContact C-N 3.33Å; L1527-K1529 PolarHBondContact O-N 3.23Å; L1527-L1543 HydrophobicContact CB-CD1 3.98Å |
| 1528 | S | 95.8 | Very high | 94 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -77.6 | -8.8 | -179.8 | 74.9 | 0 | 0 | 0 | 0 | 115.3 | L1524 Q1525 H1526 | L1524-S1528 WeakPolarHBondContact O-CB 3.44Å; L1524-S1528 PolarHBondContact O-N 2.7Å; L1524-S1528 PolarHBondContact O-OG 2.78Å; Q1525-S1528 WeakPolarHBondContact CA-OG 3.43Å; Q1525-S1528 PolarHBondContact O-N 3.4Å; Q1525-S1528 PolarHBondContact O-OG 2.91Å; H1526-S1528 VanDerWaalsContact C-N 3.26Å; H1526-S1528 PolarHBondContact O-N 2.75Å |
| 1529 | K | 93.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -58.3 | 140.1 | 179.2 | -71.9 | -172 | 177 | -169.5 | 0 | 110.4 | L1368 Q1525 H1526 L1527 V1531 H1532 S1533 | L1368-K1529 VanDerWaalsContact CD2-NZ 3.28Å; Q1525-K1529 PolarHBondContact O-N 3.05Å; H1526-K1529 WeakPolarHBondContact O-CB 3.25Å; H1526-K1529 WeakPolarHBondContact O-CG 3.36Å; H1526-K1529 PolarHBondContact O-N 2.92Å; L1527-K1529 VanDerWaalsContact C-N 3.33Å; L1527-K1529 PolarHBondContact O-N 3.23Å; K1529-V1531 VanDerWaalsContact C-N 3.25Å; K1529-V1531 PolarHBondContact O-N 2.96Å; K1529-H1532 CarbonylContact O-C 3.55Å; K1529-H1532 WeakPolarHBondContact O-CA 3.46Å; K1529-H1532 PolarHBondContact O-N 3.06Å; K1529-S1533 PolarHBondContact O-N 3.27Å; K1529-S1533 PolarHBondContact O-OG 3.33Å |
| 1530 | P | 93.7 | Very high | 94.2 | Very high | 89 Ų | 89 | 39 Ų | 39 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -49.9 | -39.5 | -176.7 | -31.8 | 36.4 | 0 | 0 | 0 | 115.4 | H1532 S1533 N1534 | P1530-H1532 PolarHBondContact O-N 3.23Å; P1530-S1533 WeakPolarHBondContact CA-OG 3.26Å; P1530-N1534 WeakPolarHBondContact O-CB 3.25Å; P1530-N1534 PolarHBondContact O-N 3.46Å; P1530-N1534 VanDerWaalsContact O-N 3.09Å; P1530-N1534 PolarHBondContact O-ND2 3.17Å; P1530-N1534 PolarHBondContact O-OD1 3.41Å |
| 1531 | V | 92.2 | Very high | 94.2 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -26.5 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | K1529 | K1529-V1531 VanDerWaalsContact C-N 3.25Å; K1529-V1531 PolarHBondContact O-N 2.96Å |
| 1532 | H | 92.4 | Very high | 94.2 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -106.4 | -42.4 | -176 | -57.4 | -21.1 | 0 | 0 | 0 | 111.1 | A1271 H1526 K1529 P1530 N1534 Q1535 S1536 | A1271-H1532 HydrophobicContact CB-CB 4.23Å; A1271-H1532 WeakPolarHBondContact O-CB 3.36Å; H1526-H1532 AromaticContact CE1-CD2 3.88Å; H1526-H1532 AromaticContact CE1-NE2 3.65Å; H1526-H1532 AromaticContact NE2-CD2 3.83Å; H1526-H1532 AromaticContact NE2-NE2 3.93Å; H1526-H1532 PolarHBondContact O-CD2 3.39Å; K1529-H1532 CarbonylContact O-C 3.55Å; K1529-H1532 WeakPolarHBondContact O-CA 3.46Å; K1529-H1532 PolarHBondContact O-N 3.06Å; P1530-H1532 PolarHBondContact O-N 3.23Å; H1532-N1534 VanDerWaalsContact C-N 3.28Å; H1532-N1534 PolarHBondContact O-N 3.18Å; H1532-Q1535 PolarHBondContact O-N 3.19Å; H1532-Q1535 VanDerWaalsContact O-N 3.15Å; H1532-S1536 WeakPolarHBondContact O-CB 3.19Å; H1532-S1536 PolarHBondContact O-N 2.97Å; H1532-S1536 PolarHBondContact O-OG 3.24Å |
| 1533 | S | 93.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -31.5 | 176.2 | 66.9 | 0 | 0 | 0 | 0 | 113 | K1529 P1530 Q1535 S1536 L1537 M1538 | K1529-S1533 PolarHBondContact O-N 3.27Å; K1529-S1533 PolarHBondContact O-OG 3.33Å; P1530-S1533 WeakPolarHBondContact CA-OG 3.26Å; S1533-Q1535 VanDerWaalsContact C-N 3.27Å; S1533-Q1535 PolarHBondContact O-N 3.46Å; S1533-S1536 WeakPolarHBondContact CA-OG 3.3Å; S1533-L1537 WeakPolarHBondContact O-CA 3.34Å; S1533-L1537 PolarHBondContact O-N 3.18Å; S1533-M1538 WeakPolarHBondContact CB-O 3.39Å; S1533-M1538 PolarHBondContact O-N 3.07Å |
| 1534 | N | 92.6 | Very high | 94.6 | Very high | 125 Ų | 125 | 47.5 Ų | 47.5 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -71.4 | -20 | 177.7 | -69 | -4.5 | 0 | 0 | 0 | 113.4 | P1530 H1532 | P1530-N1534 WeakPolarHBondContact O-CB 3.25Å; P1530-N1534 PolarHBondContact O-N 3.46Å; P1530-N1534 VanDerWaalsContact O-N 3.09Å; P1530-N1534 PolarHBondContact O-ND2 3.17Å; P1530-N1534 PolarHBondContact O-OD1 3.41Å; H1532-N1534 VanDerWaalsContact C-N 3.28Å; H1532-N1534 PolarHBondContact O-N 3.18Å |
| 1535 | Q | 92.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -100.6 | -42.1 | 176.6 | -62.1 | -175.2 | 5.6 | 0 | 0 | 111.5 | H1532 S1533 L1537 | H1532-Q1535 PolarHBondContact O-N 3.19Å; H1532-Q1535 VanDerWaalsContact O-N 3.15Å; S1533-Q1535 VanDerWaalsContact C-N 3.27Å; S1533-Q1535 PolarHBondContact O-N 3.46Å; Q1535-L1537 VanDerWaalsContact C-N 3.33Å |
| 1536 | S | 93.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.8 | -13.5 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 114 | T1273 E1274 G1275 H1532 S1533 M1538 | T1273-S1536 WeakPolarHBondContact O-CA 3.4Å; T1273-S1536 WeakPolarHBondContact O-CB 3.43Å; E1274-S1536 CarbonylContact C-O 3.58Å; E1274-S1536 WeakPolarHBondContact CA-O 3.45Å; G1275-S1536 PolarHBondContact N-O 3.12Å; H1532-S1536 WeakPolarHBondContact O-CB 3.19Å; H1532-S1536 PolarHBondContact O-N 2.97Å; H1532-S1536 PolarHBondContact O-OG 3.24Å; S1533-S1536 WeakPolarHBondContact CA-OG 3.3Å; S1536-M1538 WeakPolarHBondContact O-CG 3.41Å; S1536-M1538 PolarHBondContact O-N 2.82Å; S1536-M1538 PolarHBondContact OG-N 2.59Å |
| 1537 | L | 95.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 48% | 0.482 | 25% | 0.254 | S | S | . | . | trans | 58.5 | 20.8 | -171.4 | -49.9 | -178 | 0 | 0 | 0 | 114 | E1274 S1533 Q1535 N1542 | E1274-L1537 HydrophobicContact CG-CD1 3.88Å; E1274-L1537 HydrophobicContact CG-CG 4.21Å; S1533-L1537 WeakPolarHBondContact O-CA 3.34Å; S1533-L1537 PolarHBondContact O-N 3.18Å; Q1535-L1537 VanDerWaalsContact C-N 3.33Å; L1537-N1542 PolarHBondContact O-ND2 3.09Å | ||
| 1538 | M | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -119.1 | 86.3 | -174.5 | -68.8 | -60 | -61.1 | 0 | 0 | 111.1 | I1276 R1278 S1533 S1536 N1542 L1543 V1546 | I1276-M1538 HydrophobicContact CG2-CB 4.25Å; I1276-M1538 HydrophobicContact CG2-CG 4.07Å; I1276-M1538 WeakPolarHBondContact O-CE 3.4Å; I1276-M1538 WeakPolarHBondContact O-CG 3.46Å; R1278-M1538 HydrophobicContact CB-CE 3.93Å; R1278-M1538 HydrophobicContact CB-SD 3.64Å; R1278-M1538 HydrophobicContact CG-SD 4.41Å; S1533-M1538 WeakPolarHBondContact CB-O 3.39Å; S1533-M1538 PolarHBondContact O-N 3.07Å; S1536-M1538 WeakPolarHBondContact O-CG 3.41Å; S1536-M1538 PolarHBondContact O-N 2.82Å; S1536-M1538 PolarHBondContact OG-N 2.59Å; M1538-N1542 VanDerWaalsContact CE-C 3.47Å; M1538-N1542 HydrophobicContact CE-CB 3.68Å; M1538-N1542 HydrophobicContact SD-CB 3.8Å; M1538-L1543 HydrophobicContact CB-CD2 4.04Å; M1538-L1543 HydrophobicContact CB-CG 4.06Å; M1538-L1543 HydrophobicContact CE-CD2 3.8Å; M1538-L1543 HydrophobicContact CE-CG 4.07Å; M1538-V1546 HydrophobicContact CE-CG2 3.88Å | ||
| 1539 | D | 95.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | trans | -76.3 | 176.8 | 170.2 | 81.6 | -48.1 | 0 | 0 | 0 | 111.8 | R1541 N1542 L1543 | D1539-R1541 PolarHBondContact O-N 3.17Å; D1539-R1541 WeakPolarHBondContact OD2-CB 3.44Å; D1539-R1541 PolarHBondContact OD2-N 3.07Å; D1539-R1541 VanDerWaalsContact OD2-N 3.09Å; D1539-N1542 PolarHBondContact O-N 2.93Å; D1539-N1542 WeakPolarHBondContact OD1-CB 3.42Å; D1539-N1542 PolarHBondContact OD1-N 3.15Å; D1539-N1542 PolarHBondContact OD1-ND2 3.04Å; D1539-L1543 WeakPolarHBondContact O-CB 3.33Å; D1539-L1543 WeakPolarHBondContact O-CG 3.48Å; D1539-L1543 PolarHBondContact O-N 3.33Å | ||
| 1540 | A | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -31.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1544 R1575 I1578 | A1540-S1544 VanDerWaalsContact O-CB 3.28Å; A1540-S1544 WeakPolarHBondContact O-CB 3.34Å; A1540-S1544 PolarHBondContact O-N 2.66Å; A1540-S1544 PolarHBondContact O-OG 2.8Å; A1540-R1575 HydrophobicContact CB-CG 4.34Å; A1540-I1578 HydrophobicContact CB-CB 4.22Å; A1540-I1578 HydrophobicContact CB-CG2 3.63Å |
| 1541 | R | 95.7 | Very high | 94.6 | Very high | 152 Ų | 152 | 43.1 Ų | 43.1 | 57% | 0.574 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -74.9 | -44.3 | 177.3 | -172.1 | 179.4 | -77.7 | 155 | -5.3 | 111.8 | D1539 S1544 T1545 | D1539-R1541 PolarHBondContact O-N 3.17Å; D1539-R1541 WeakPolarHBondContact OD2-CB 3.44Å; D1539-R1541 PolarHBondContact OD2-N 3.07Å; D1539-R1541 VanDerWaalsContact OD2-N 3.09Å; R1541-S1544 WeakPolarHBondContact CA-OG 3.34Å; R1541-S1544 PolarHBondContact O-OG 3.39Å; R1541-T1545 WeakPolarHBondContact O-CB 3.31Å; R1541-T1545 PolarHBondContact O-N 3.44Å; R1541-T1545 VanDerWaalsContact O-N 3.16Å; R1541-T1545 PolarHBondContact O-OG1 3.44Å |
| 1542 | N | 95.9 | Very high | 94.5 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.5 | -71.6 | -16 | 0 | 0 | 0 | 111.2 | L1537 M1538 D1539 T1545 V1546 | L1537-N1542 PolarHBondContact O-ND2 3.09Å; M1538-N1542 VanDerWaalsContact CE-C 3.47Å; M1538-N1542 HydrophobicContact CE-CB 3.68Å; M1538-N1542 HydrophobicContact SD-CB 3.8Å; D1539-N1542 PolarHBondContact O-N 2.93Å; D1539-N1542 WeakPolarHBondContact OD1-CB 3.42Å; D1539-N1542 PolarHBondContact OD1-N 3.15Å; D1539-N1542 PolarHBondContact OD1-ND2 3.04Å; N1542-T1545 PolarHBondContact O-N 3.11Å; N1542-V1546 PolarHBondContact O-N 3.27Å |
| 1543 | L | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -48.9 | 178 | -73.9 | 168.6 | 0 | 0 | 0 | 112.1 | F1277 L1524 L1527 M1538 D1539 T1545 V1546 I1547 I1578 | F1277-L1543 HydrophobicContact CD2-CD2 3.97Å; L1524-L1543 HydrophobicContact CD2-CB 4.38Å; L1524-L1543 HydrophobicContact CD2-CD2 4.05Å; L1527-L1543 HydrophobicContact CB-CD1 3.98Å; M1538-L1543 HydrophobicContact CB-CD2 4.04Å; M1538-L1543 HydrophobicContact CB-CG 4.06Å; M1538-L1543 HydrophobicContact CE-CD2 3.8Å; M1538-L1543 HydrophobicContact CE-CG 4.07Å; D1539-L1543 WeakPolarHBondContact O-CB 3.33Å; D1539-L1543 WeakPolarHBondContact O-CG 3.48Å; D1539-L1543 PolarHBondContact O-N 3.33Å; L1543-T1545 VanDerWaalsContact C-N 3.3Å; L1543-T1545 PolarHBondContact O-N 3.49Å; L1543-V1546 WeakPolarHBondContact O-CG2 3.33Å; L1543-V1546 PolarHBondContact O-N 3.23Å; L1543-I1547 WeakPolarHBondContact O-CB 3.1Å; L1543-I1547 VanDerWaalsContact O-CG1 3.28Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.44Å; L1543-I1547 PolarHBondContact O-N 3.48Å; L1543-I1578 HydrophobicContact CB-CD1 4.29Å |
| 1544 | S | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 177.9 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | A1540 R1541 V1546 I1547 A1548 T1571 R1575 | A1540-S1544 VanDerWaalsContact O-CB 3.28Å; A1540-S1544 WeakPolarHBondContact O-CB 3.34Å; A1540-S1544 PolarHBondContact O-N 2.66Å; A1540-S1544 PolarHBondContact O-OG 2.8Å; R1541-S1544 WeakPolarHBondContact CA-OG 3.34Å; R1541-S1544 PolarHBondContact O-OG 3.39Å; S1544-V1546 VanDerWaalsContact C-N 3.32Å; S1544-V1546 PolarHBondContact O-N 3.25Å; S1544-I1547 PolarHBondContact O-N 3.29Å; S1544-A1548 VanDerWaalsContact O-CB 3.31Å; S1544-A1548 WeakPolarHBondContact O-CB 3.26Å; S1544-A1548 PolarHBondContact O-N 2.85Å; S1544-T1571 VanDerWaalsContact CB-O 3.25Å; S1544-T1571 WeakPolarHBondContact CB-O 3.5Å; S1544-T1571 PolarHBondContact OG-O 2.8Å; S1544-R1575 VanDerWaalsContact CB-N 3.33Å |
| 1545 | T | 95.5 | Very high | 90.9 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 177.2 | -56 | 0 | 0 | 0 | 0 | 112.3 | R1541 N1542 L1543 T1571 | R1541-T1545 WeakPolarHBondContact O-CB 3.31Å; R1541-T1545 PolarHBondContact O-N 3.44Å; R1541-T1545 VanDerWaalsContact O-N 3.16Å; R1541-T1545 PolarHBondContact O-OG1 3.44Å; N1542-T1545 PolarHBondContact O-N 3.11Å; L1543-T1545 VanDerWaalsContact C-N 3.3Å; L1543-T1545 PolarHBondContact O-N 3.49Å; T1545-T1571 VanDerWaalsContact OG1-CG2 3.29Å; T1545-T1571 WeakPolarHBondContact OG1-CG2 3.48Å |
| 1546 | V | 95.6 | Very high | 89.2 | Confident | 35 Ų | 35 | 39 Ų | 39 | 21% | 0.212 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -89.4 | -18.4 | -177.5 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | F1277 R1278 M1538 N1542 L1543 S1544 N1550 | F1277-V1546 HydrophobicContact CB-CG2 3.64Å; R1278-V1546 HydrophobicContact CB-CG1 4.11Å; R1278-V1546 HydrophobicContact CG-CG1 4.33Å; M1538-V1546 HydrophobicContact CE-CG2 3.88Å; N1542-V1546 PolarHBondContact O-N 3.27Å; L1543-V1546 WeakPolarHBondContact O-CG2 3.33Å; L1543-V1546 PolarHBondContact O-N 3.23Å; S1544-V1546 VanDerWaalsContact C-N 3.32Å; S1544-V1546 PolarHBondContact O-N 3.25Å; V1546-N1550 PolarHBondContact O-ND2 3.25Å |
| 1547 | I | 96.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -91.9 | -45.8 | 179.4 | -67.7 | -66.2 | 0 | 0 | 0 | 112.6 | F1277 K1450 L1520 L1524 L1543 S1544 P1549 N1550 I1551 I1574 | F1277-I1547 HydrophobicContact CD1-CD1 3.82Å; F1277-I1547 HydrophobicContact CD2-CD1 4.41Å; F1277-I1547 HydrophobicContact CE1-CD1 4Å; F1277-I1547 HydrophobicContact CG-CD1 4.03Å; F1277-I1547 HydrophobicContact CZ-CD1 4.36Å; K1450-I1547 HydrophobicContact CG-CD1 4.41Å; L1520-I1547 HydrophobicContact CD2-CG2 4.34Å; L1524-I1547 HydrophobicContact CD1-CB 4.36Å; L1524-I1547 HydrophobicContact CD1-CG1 3.96Å; L1524-I1547 HydrophobicContact CD1-CG2 3.98Å; L1524-I1547 HydrophobicContact CD2-CD1 4.19Å; L1524-I1547 HydrophobicContact CD2-CG1 3.82Å; L1543-I1547 WeakPolarHBondContact O-CB 3.1Å; L1543-I1547 VanDerWaalsContact O-CG1 3.28Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.44Å; L1543-I1547 PolarHBondContact O-N 3.48Å; S1544-I1547 PolarHBondContact O-N 3.29Å; I1547-P1549 VanDerWaalsContact C-CD 3.44Å; I1547-P1549 VanDerWaalsContact O-N 3.15Å; I1547-N1550 WeakPolarHBondContact O-CB 3.49Å; I1547-N1550 PolarHBondContact O-N 2.96Å; I1547-N1550 PolarHBondContact O-ND2 2.78Å; I1547-I1551 HydrophobicContact CG2-CD1 3.74Å; I1547-I1551 HydrophobicContact CG2-CG1 4.19Å; I1547-I1574 HydrophobicContact CG2-CG2 4.47Å |
| 1548 | A | 95.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -51.2 | -41.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1544 N1550 I1551 M1552 Q1570 I1574 | S1544-A1548 VanDerWaalsContact O-CB 3.31Å; S1544-A1548 WeakPolarHBondContact O-CB 3.26Å; S1544-A1548 PolarHBondContact O-N 2.85Å; A1548-N1550 PolarHBondContact O-N 3.22Å; A1548-I1551 PolarHBondContact O-N 2.89Å; A1548-I1551 VanDerWaalsContact O-N 3.12Å; A1548-M1552 PolarHBondContact O-N 2.99Å; A1548-Q1570 HydrophobicContact CB-CB 4.26Å; A1548-I1574 HydrophobicContact CB-CB 4.27Å; A1548-I1574 HydrophobicContact CB-CG1 3.75Å |
| 1549 | P | 90.9 | Very high | 85.3 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -5.1 | 177.6 | -21.4 | 34.9 | 0 | 0 | 0 | 115.9 | I1547 | I1547-P1549 VanDerWaalsContact C-CD 3.44Å; I1547-P1549 VanDerWaalsContact O-N 3.15Å |
| 1550 | N | 92.9 | Very high | 84.4 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -103.3 | -12.7 | 177.1 | -44.2 | -89.5 | 0 | 0 | 0 | 112.3 | L1453 R1454 V1546 I1547 A1548 | L1453-N1550 CarbonylContact C-O 3.48Å; L1453-N1550 HydrophobicContact CB-CB 4.06Å; R1454-N1550 HydrophobicContact CB-CB 4.03Å; R1454-N1550 PolarHBondContact N-O 3.08Å; V1546-N1550 PolarHBondContact O-ND2 3.25Å; I1547-N1550 WeakPolarHBondContact O-CB 3.49Å; I1547-N1550 PolarHBondContact O-N 2.96Å; I1547-N1550 PolarHBondContact O-ND2 2.78Å; A1548-N1550 PolarHBondContact O-N 3.22Å |
| 1551 | I | 93.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -119.7 | -17.9 | -178.8 | 52.9 | 174.9 | 0 | 0 | 0 | 113.8 | L1453 L1460 I1461 L1517 L1520 I1547 A1548 I1574 | L1453-I1551 HydrophobicContact CB-CG2 4.25Å; L1453-I1551 HydrophobicContact CD1-CG2 4.08Å; L1453-I1551 HydrophobicContact CD2-CG2 3.96Å; L1453-I1551 HydrophobicContact CG-CG2 4.32Å; L1460-I1551 HydrophobicContact CB-CB 4.1Å; L1460-I1551 HydrophobicContact CB-CG2 3.95Å; L1460-I1551 HydrophobicContact CD2-CG2 3.88Å; L1460-I1551 PolarHBondContact N-O 2.95Å; I1461-I1551 PolarHBondContact N-O 3.19Å; L1517-I1551 HydrophobicContact CD1-CD1 4.3Å; L1520-I1551 HydrophobicContact CD2-CD1 4.43Å; L1520-I1551 HydrophobicContact CD2-CG2 3.93Å; I1547-I1551 HydrophobicContact CG2-CD1 3.74Å; I1547-I1551 HydrophobicContact CG2-CG1 4.19Å; A1548-I1551 PolarHBondContact O-N 2.89Å; A1548-I1551 VanDerWaalsContact O-N 3.12Å; I1551-I1574 HydrophobicContact CD1-CD1 3.46Å; I1551-I1574 VanDerWaalsContact CD1-CD1 3.46Å; I1551-I1574 HydrophobicContact CD1-CG1 3.92Å; I1551-I1574 HydrophobicContact CD1-CG2 4.47Å; I1551-I1574 HydrophobicContact CG1-CD1 4.35Å |
| 1552 | M | 91.2 | Very high | 82.9 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | trans | -114.7 | 148.4 | 169.5 | -60.9 | 178.9 | 85 | 0 | 0 | 109.7 | I1461 Q1466 C1469 L1470 A1548 Q1570 F1573 | I1461-M1552 HydrophobicContact CB-CG 4.12Å; I1461-M1552 HydrophobicContact CD1-CG 3.77Å; I1461-M1552 HydrophobicContact CD1-SD 4.13Å; I1461-M1552 HydrophobicContact CG1-CG 4.44Å; I1461-M1552 HydrophobicContact CG2-CE 4.49Å; Q1466-M1552 HydrophobicContact CB-CE 4.07Å; Q1466-M1552 HydrophobicContact CG-CB 4.49Å; Q1466-M1552 HydrophobicContact CG-CE 3.73Å; Q1466-M1552 HydrophobicContact CG-CG 4.5Å; C1469-M1552 HydrophobicContact CB-CE 4.14Å; L1470-M1552 HydrophobicContact CD2-CE 3.74Å; L1470-M1552 HydrophobicContact CG-CE 4.27Å; A1548-M1552 PolarHBondContact O-N 2.99Å; M1552-Q1570 HydrophobicContact CB-CG 4.29Å; M1552-Q1570 HydrophobicContact CE-CG 4.11Å; M1552-Q1570 HydrophobicContact SD-CB 4.05Å; M1552-Q1570 HydrophobicContact SD-CG 3.83Å; M1552-F1573 HydrophobicContact SD-CD1 4.38Å | ||
| 1553 | R | 78.6 | Confident | 82 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | trans | -129.7 | 103.8 | 179.3 | -79.9 | -179.5 | -177.5 | 150.6 | 4.8 | 110.7 | N1206 R1454 L1456 S1457 P1459 Q1466 S1555 | N1206-R1553 PolarHBondContact ND2-NH1 3.13Å; N1206-R1553 VanDerWaalsContact ND2-NH1 3.16Å; N1206-R1553 PolarHBondContact ND2-NH2 2.82Å; N1206-R1553 PolarHBondContact OD1-NH1 2.98Å; R1454-R1553 PolarHBondContact O-NH2 2.61Å; L1456-R1553 PolarHBondContact O-NH1 2.89Å; L1456-R1553 PolarHBondContact O-NH2 3.26Å; S1457-R1553 PolarHBondContact O-NH1 2.83Å; P1459-R1553 HydrophobicContact CB-CB 4.27Å; P1459-R1553 HydrophobicContact CB-CG 3.97Å; P1459-R1553 HydrophobicContact CG-CB 4.32Å; P1459-R1553 HydrophobicContact CG-CG 4.39Å; Q1466-R1553 PolarHBondContact NE2-O 2.98Å; Q1466-R1553 VanDerWaalsContact OE1-C 3.26Å; Q1466-R1553 VanDerWaalsContact OE1-N 3.15Å; Q1466-R1553 PolarHBondContact OE1-O 2.99Å; Q1466-R1553 VanDerWaalsContact OE1-O 3.08Å; R1553-S1555 VanDerWaalsContact C-N 3.31Å; R1553-S1555 WeakPolarHBondContact O-CB 3.36Å; R1553-S1555 PolarHBondContact O-N 3.36Å; R1553-S1555 PolarHBondContact O-OG 2.89Å | ||
| 1554 | S | 66.8 | Low | 81.2 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | trans | -60.8 | 87.7 | 168.1 | -42.7 | 0 | 0 | 0 | 0 | 110 | L1563 Q1570 | S1554-L1563 VanDerWaalsContact CB-CD2 3.4Å; S1554-L1563 WeakPolarHBondContact O-CD2 3.44Å; S1554-Q1570 PolarHBondContact OG-NE2 3.41Å | ||
| 1555 | S | 58.3 | Low | 80.6 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 47% | 0.469 | 35% | 0.35 | S | S | . | . | trans | -140.2 | -7.4 | -163.4 | 54.1 | 0 | 0 | 0 | 0 | 115.9 | V1463 R1553 | V1463-S1555 VanDerWaalsContact CG1-OG 3.32Å; V1463-S1555 WeakPolarHBondContact CG1-OG 3.41Å; V1463-S1555 WeakPolarHBondContact CG2-OG 3.48Å; R1553-S1555 VanDerWaalsContact C-N 3.31Å; R1553-S1555 WeakPolarHBondContact O-CB 3.36Å; R1553-S1555 PolarHBondContact O-N 3.36Å; R1553-S1555 PolarHBondContact O-OG 2.89Å | ||
| 1556 | T | 56.2 | Low | 80.3 | Confident | 101 Ų | 101 | 65 Ų | 65 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -73.4 | -44.9 | 165.4 | 37.1 | 0 | 0 | 0 | 0 | 111.9 | V1463 | V1463-T1556 HydrophobicContact CG1-CG2 3.85Š|
| 1557 | S | 61.3 | Low | 80 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | trans | -86.2 | 146.2 | -177.8 | -165.7 | 0 | 0 | 0 | 0 | 113.7 | D1559 E1562 | S1557-D1559 PolarHBondContact OG-N 3.3Å; S1557-E1562 WeakPolarHBondContact CB-OE1 3.42Å; S1557-E1562 WeakPolarHBondContact CB-OE2 3.47Å; S1557-E1562 VanDerWaalsContact OG-CD 3.26Å; S1557-E1562 PolarHBondContact OG-OE2 2.73Å | ||
| 1558 | K | 65.9 | Low | 79.8 | Confident | 177 Ų | 177 | 72.2 Ų | 72.2 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | trans | -106.5 | -2.8 | 171.3 | -65.3 | 174.3 | -177.5 | 170.9 | 0 | 112.1 | P1560 | K1558-P1560 WeakPolarHBondContact O-CD 3.44Š| ||
| 1559 | D | 74.6 | Confident | 79.7 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | trans | -84.5 | 117.1 | 177 | -176.3 | -3.6 | 0 | 0 | 0 | 110.7 | S1557 R1561 E1562 L1563 | S1557-D1559 PolarHBondContact OG-N 3.3Å; D1559-R1561 PolarHBondContact O-N 3.24Å; D1559-R1561 VanDerWaalsContact O-N 3.08Å; D1559-R1561 WeakPolarHBondContact OD1-CB 3.18Å; D1559-R1561 WeakPolarHBondContact OD1-CG 3.36Å; D1559-R1561 PolarHBondContact OD1-N 3.15Å; D1559-E1562 HydrophobicContact CB-CB 4.32Å; D1559-E1562 PolarHBondContact O-N 2.75Å; D1559-E1562 VanDerWaalsContact O-N 3.17Å; D1559-L1563 WeakPolarHBondContact O-CG 3.33Å; D1559-L1563 PolarHBondContact O-N 2.71Å | ||
| 1560 | P | 76.9 | Confident | 79.9 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.6 | -21 | 175.1 | 25.3 | -35.6 | 0 | 0 | 0 | 114.3 | K1558 L1564 | K1558-P1560 WeakPolarHBondContact O-CD 3.44Å; P1560-L1564 WeakPolarHBondContact O-CB 3.44Å; P1560-L1564 PolarHBondContact O-N 2.86Å; P1560-L1564 VanDerWaalsContact O-N 3.13Å |
| 1561 | R | 81 | Confident | 80 | Confident | 187 Ų | 187 | 70.1 Ų | 70.1 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.3 | -50 | 174.8 | -59.2 | 171.4 | -179.8 | -168.9 | 1.3 | 111.4 | D1559 L1564 Q1565 | D1559-R1561 PolarHBondContact O-N 3.24Å; D1559-R1561 VanDerWaalsContact O-N 3.08Å; D1559-R1561 WeakPolarHBondContact OD1-CB 3.18Å; D1559-R1561 WeakPolarHBondContact OD1-CG 3.36Å; D1559-R1561 PolarHBondContact OD1-N 3.15Å; R1561-L1564 PolarHBondContact O-N 2.78Å; R1561-Q1565 WeakPolarHBondContact O-CG 3.46Å; R1561-Q1565 PolarHBondContact O-N 2.84Å |
| 1562 | E | 78.4 | Confident | 80.1 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.7 | -160.4 | -158.1 | 129.4 | 0 | 0 | 110.8 | S1557 D1559 L1564 Q1565 N1566 | S1557-E1562 WeakPolarHBondContact CB-OE1 3.42Å; S1557-E1562 WeakPolarHBondContact CB-OE2 3.47Å; S1557-E1562 VanDerWaalsContact OG-CD 3.26Å; S1557-E1562 PolarHBondContact OG-OE2 2.73Å; D1559-E1562 HydrophobicContact CB-CB 4.32Å; D1559-E1562 PolarHBondContact O-N 2.75Å; D1559-E1562 VanDerWaalsContact O-N 3.17Å; E1562-L1564 PolarHBondContact O-N 2.82Å; E1562-Q1565 PolarHBondContact O-N 3.33Å; E1562-N1566 WeakPolarHBondContact O-CB 3.48Å; E1562-N1566 VanDerWaalsContact O-CG 3.3Å; E1562-N1566 PolarHBondContact O-N 2.89Å; E1562-N1566 PolarHBondContact O-ND2 3.15Å; E1562-N1566 PolarHBondContact OE1-ND2 3.15Å |
| 1563 | L | 78 | Confident | 80.3 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 29% | 0.293 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.2 | -38.4 | 172.4 | -64.9 | 178.3 | 0 | 0 | 0 | 112.2 | S1554 D1559 V1567 | S1554-L1563 VanDerWaalsContact CB-CD2 3.4Å; S1554-L1563 WeakPolarHBondContact O-CD2 3.44Å; D1559-L1563 WeakPolarHBondContact O-CG 3.33Å; D1559-L1563 PolarHBondContact O-N 2.71Å; L1563-V1567 WeakPolarHBondContact O-CG2 3.49Å |
| 1564 | L | 81.7 | Confident | 81.2 | Confident | 137 Ų | 137 | 68.7 Ų | 68.7 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75.9 | -40.4 | 177.5 | -155.8 | 82.3 | 0 | 0 | 0 | 112.4 | P1560 R1561 E1562 N1566 V1567 | P1560-L1564 WeakPolarHBondContact O-CB 3.44Å; P1560-L1564 PolarHBondContact O-N 2.86Å; P1560-L1564 VanDerWaalsContact O-N 3.13Å; R1561-L1564 PolarHBondContact O-N 2.78Å; E1562-L1564 PolarHBondContact O-N 2.82Å; L1564-N1566 VanDerWaalsContact C-N 3.31Å; L1564-N1566 PolarHBondContact O-N 3.35Å; L1564-V1567 PolarHBondContact O-N 2.82Å |
| 1565 | Q | 84.5 | Confident | 82.7 | Confident | 139 Ų | 139 | 67.6 Ų | 67.6 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 176.8 | -75.5 | 169.6 | -15 | 0 | 0 | 111.5 | R1561 E1562 V1567 P1569 | R1561-Q1565 WeakPolarHBondContact O-CG 3.46Å; R1561-Q1565 PolarHBondContact O-N 2.84Å; E1562-Q1565 PolarHBondContact O-N 3.33Å; Q1565-V1567 VanDerWaalsContact C-N 3.26Å; Q1565-V1567 PolarHBondContact O-N 2.8Å; Q1565-P1569 WeakPolarHBondContact O-CD 3.08Å |
| 1566 | N | 87.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.1 | -178.3 | -75 | -31.9 | 0 | 0 | 0 | 114.5 | L1470 E1562 L1564 K1568 P1569 Q1570 | L1470-N1566 HydrophobicContact CD1-CB 4.09Å; E1562-N1566 WeakPolarHBondContact O-CB 3.48Å; E1562-N1566 VanDerWaalsContact O-CG 3.3Å; E1562-N1566 PolarHBondContact O-N 2.89Å; E1562-N1566 PolarHBondContact O-ND2 3.15Å; E1562-N1566 PolarHBondContact OE1-ND2 3.15Å; L1564-N1566 VanDerWaalsContact C-N 3.31Å; L1564-N1566 PolarHBondContact O-N 3.35Å; N1566-K1568 VanDerWaalsContact C-N 3.28Å; N1566-K1568 PolarHBondContact O-N 3.08Å; N1566-P1569 VanDerWaalsContact O-CD 3.3Å; N1566-P1569 WeakPolarHBondContact O-CD 3.44Å; N1566-P1569 WeakPolarHBondContact O-CG 3.39Å; N1566-Q1570 WeakPolarHBondContact O-CB 3.44Å; N1566-Q1570 WeakPolarHBondContact O-CG 3.11Å; N1566-Q1570 PolarHBondContact O-N 3.2Å |
| 1567 | V | 90.6 | Very high | 86.5 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | L1563 L1564 Q1565 T1571 | L1563-V1567 WeakPolarHBondContact O-CG2 3.49Å; L1564-V1567 PolarHBondContact O-N 2.82Å; Q1565-V1567 VanDerWaalsContact C-N 3.26Å; Q1565-V1567 PolarHBondContact O-N 2.8Å; V1567-T1571 WeakPolarHBondContact O-CB 3.43Å; V1567-T1571 PolarHBondContact O-N 3.16Å; V1567-T1571 PolarHBondContact O-OG1 3.27Å |
| 1568 | K | 92.1 | Very high | 88.2 | Confident | 121 Ų | 121 | 58.8 Ų | 58.8 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.8 | -56.5 | 179.2 | -169.2 | -162.6 | -176.7 | -152.6 | 0 | 112 | E1477 N1566 Q1570 T1571 L1572 | E1477-K1568 WeakPolarHBondContact OE1-CE 3.35Å; E1477-K1568 IonicContact OE1-NZ 2.93Å; E1477-K1568 PolarHBondContact OE1-NZ 3.18Å; E1477-K1568 WeakPolarHBondContact OE2-CE 3.46Å; E1477-K1568 IonicContact OE2-NZ 2.74Å; E1477-K1568 PolarHBondContact OE2-NZ 2.75Å; N1566-K1568 VanDerWaalsContact C-N 3.28Å; N1566-K1568 PolarHBondContact O-N 3.08Å; K1568-Q1570 VanDerWaalsContact C-N 3.3Å; K1568-Q1570 PolarHBondContact O-N 2.97Å; K1568-T1571 WeakPolarHBondContact O-CB 3.36Å; K1568-T1571 PolarHBondContact O-N 2.91Å; K1568-L1572 WeakPolarHBondContact O-CB 3.35Å; K1568-L1572 PolarHBondContact O-N 3.5Å |
| 1569 | P | 93.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -27.6 | 176.9 | 23.4 | -31.9 | 0 | 0 | 0 | 113.8 | L1470 A1473 Q1565 N1566 L1572 F1573 | L1470-P1569 HydrophobicContact CB-CB 4.08Å; L1470-P1569 HydrophobicContact CB-CG 4.3Å; L1470-P1569 HydrophobicContact CD2-CB 3.8Å; L1470-P1569 HydrophobicContact CD2-CG 4.04Å; L1470-P1569 HydrophobicContact CG-CB 4.48Å; A1473-P1569 HydrophobicContact CB-CB 4.38Å; Q1565-P1569 WeakPolarHBondContact O-CD 3.08Å; N1566-P1569 VanDerWaalsContact O-CD 3.3Å; N1566-P1569 WeakPolarHBondContact O-CD 3.44Å; N1566-P1569 WeakPolarHBondContact O-CG 3.39Å; P1569-L1572 PolarHBondContact O-N 3.18Å; P1569-F1573 WeakPolarHBondContact O-CB 3.13Å; P1569-F1573 PolarHBondContact O-N 2.79Å |
| 1570 | Q | 93.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -51 | 171 | -76.5 | 173.8 | -10.8 | 0 | 0 | 111.3 | L1470 A1548 M1552 S1554 N1566 K1568 L1572 F1573 I1574 | L1470-Q1570 HydrophobicContact CD2-CB 4.19Å; L1470-Q1570 HydrophobicContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-N 3.34Å; A1548-Q1570 HydrophobicContact CB-CB 4.26Å; M1552-Q1570 HydrophobicContact CB-CG 4.29Å; M1552-Q1570 HydrophobicContact CE-CG 4.11Å; M1552-Q1570 HydrophobicContact SD-CB 4.05Å; M1552-Q1570 HydrophobicContact SD-CG 3.83Å; S1554-Q1570 PolarHBondContact OG-NE2 3.41Å; N1566-Q1570 WeakPolarHBondContact O-CB 3.44Å; N1566-Q1570 WeakPolarHBondContact O-CG 3.11Å; N1566-Q1570 PolarHBondContact O-N 3.2Å; K1568-Q1570 VanDerWaalsContact C-N 3.3Å; K1568-Q1570 PolarHBondContact O-N 2.97Å; Q1570-L1572 VanDerWaalsContact C-N 3.28Å; Q1570-L1572 PolarHBondContact O-N 3.45Å; Q1570-F1573 PolarHBondContact O-N 2.92Å; Q1570-I1574 PolarHBondContact O-N 2.98Å |
| 1571 | T | 95.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -42.2 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111 | S1544 T1545 V1567 K1568 R1575 | S1544-T1571 VanDerWaalsContact CB-O 3.25Å; S1544-T1571 WeakPolarHBondContact CB-O 3.5Å; S1544-T1571 PolarHBondContact OG-O 2.8Å; T1545-T1571 VanDerWaalsContact OG1-CG2 3.29Å; T1545-T1571 WeakPolarHBondContact OG1-CG2 3.48Å; V1567-T1571 WeakPolarHBondContact O-CB 3.43Å; V1567-T1571 PolarHBondContact O-N 3.16Å; V1567-T1571 PolarHBondContact O-OG1 3.27Å; K1568-T1571 WeakPolarHBondContact O-CB 3.36Å; K1568-T1571 PolarHBondContact O-N 2.91Å; T1571-R1575 PolarHBondContact O-N 3.41Å |
| 1572 | L | 95.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -47.1 | -179.6 | -175.7 | 63.6 | 0 | 0 | 0 | 112.7 | A1473 E1477 K1568 P1569 Q1570 I1574 R1575 L1576 | A1473-L1572 HydrophobicContact CB-CB 4.39Å; A1473-L1572 HydrophobicContact CB-CD2 4.19Å; A1473-L1572 HydrophobicContact CB-CG 4.27Å; A1473-L1572 WeakPolarHBondContact O-CD2 3.49Å; E1477-L1572 HydrophobicContact CB-CD2 3.52Å; E1477-L1572 HydrophobicContact CG-CD1 4.37Å; E1477-L1572 HydrophobicContact CG-CD2 3.62Å; K1568-L1572 WeakPolarHBondContact O-CB 3.35Å; K1568-L1572 PolarHBondContact O-N 3.5Å; P1569-L1572 PolarHBondContact O-N 3.18Å; Q1570-L1572 VanDerWaalsContact C-N 3.28Å; Q1570-L1572 PolarHBondContact O-N 3.45Å; L1572-I1574 VanDerWaalsContact C-N 3.29Å; L1572-I1574 PolarHBondContact O-N 3.23Å; L1572-R1575 WeakPolarHBondContact O-CB 3.23Å; L1572-R1575 PolarHBondContact O-N 3.28Å; L1572-R1575 VanDerWaalsContact O-N 3.07Å; L1572-L1576 HydrophobicContact CD1-CG 4.5Å; L1572-L1576 HydrophobicContact CG-CD1 4.15Å; L1572-L1576 HydrophobicContact CG-CG 4.47Å; L1572-L1576 WeakPolarHBondContact O-CG 3.32Å; L1572-L1576 PolarHBondContact O-N 3.16Å |
| 1573 | F | 96.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.9 | -46.7 | 178.5 | -175.9 | -106.7 | 0 | 0 | 0 | 111.1 | I1461 C1469 A1473 C1502 L1505 M1552 P1569 Q1570 L1576 L1577 | I1461-F1573 HydrophobicContact CD1-CD1 4.21Å; I1461-F1573 HydrophobicContact CD1-CE1 3.87Å; C1469-F1573 HydrophobicContact CB-CD1 4.02Å; C1469-F1573 HydrophobicContact CB-CD2 3.79Å; C1469-F1573 HydrophobicContact CB-CE1 3.92Å; C1469-F1573 HydrophobicContact CB-CE2 3.67Å; C1469-F1573 HydrophobicContact CB-CG 3.98Å; C1469-F1573 HydrophobicContact CB-CZ 3.75Å; C1469-F1573 WeakPolarHBondContact O-CD2 3.22Å; C1469-F1573 VanDerWaalsContact SG-CZ 3.5Å; A1473-F1573 HydrophobicContact CB-CB 3.89Å; A1473-F1573 HydrophobicContact CB-CD2 4.35Å; C1502-F1573 HydrophobicContact CB-CD2 4.11Å; C1502-F1573 HydrophobicContact CB-CE2 3.9Å; C1502-F1573 WeakPolarHBondContact O-CE2 3.24Å; L1505-F1573 HydrophobicContact CB-CZ 4.45Å; L1505-F1573 HydrophobicContact CD1-CE2 4.43Å; M1552-F1573 HydrophobicContact SD-CD1 4.38Å; P1569-F1573 WeakPolarHBondContact O-CB 3.13Å; P1569-F1573 PolarHBondContact O-N 2.79Å; Q1570-F1573 PolarHBondContact O-N 2.92Å; F1573-L1576 WeakPolarHBondContact O-CB 3.17Å; F1573-L1576 PolarHBondContact O-N 2.98Å; F1573-L1577 HydrophobicContact CD1-CD1 4.29Å; F1573-L1577 HydrophobicContact CE1-CD1 3.72Å; F1573-L1577 HydrophobicContact CE1-CG 4.26Å; F1573-L1577 HydrophobicContact CZ-CD1 4.14Å; F1573-L1577 HydrophobicContact CZ-CD2 4.37Å; F1573-L1577 HydrophobicContact CZ-CG 4.4Å; F1573-L1577 WeakPolarHBondContact O-CG 3.32Å; F1573-L1577 PolarHBondContact O-N 3.44Å |
| 1574 | I | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.7 | -33.6 | 178.2 | -57.9 | -54.8 | 0 | 0 | 0 | 112 | I1461 I1547 A1548 I1551 Q1570 L1572 L1577 I1578 | I1461-I1574 HydrophobicContact CD1-CD1 3.95Å; I1547-I1574 HydrophobicContact CG2-CG2 4.47Å; A1548-I1574 HydrophobicContact CB-CB 4.27Å; A1548-I1574 HydrophobicContact CB-CG1 3.75Å; I1551-I1574 HydrophobicContact CD1-CD1 3.46Å; I1551-I1574 VanDerWaalsContact CD1-CD1 3.46Å; I1551-I1574 HydrophobicContact CD1-CG1 3.92Å; I1551-I1574 HydrophobicContact CD1-CG2 4.47Å; I1551-I1574 HydrophobicContact CG1-CD1 4.35Å; Q1570-I1574 PolarHBondContact O-N 2.98Å; L1572-I1574 VanDerWaalsContact C-N 3.29Å; L1572-I1574 PolarHBondContact O-N 3.23Å; I1574-L1577 HydrophobicContact CD1-CD1 4.28Å; I1574-L1577 PolarHBondContact O-N 3.41Å; I1574-I1578 HydrophobicContact CG2-CD1 4.06Å; I1574-I1578 VanDerWaalsContact O-CG1 3.28Å; I1574-I1578 WeakPolarHBondContact O-CG1 3.22Å; I1574-I1578 PolarHBondContact O-N 3.05Å |
| 1575 | R | 97.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 170.3 | -170.9 | -166.7 | 59.5 | 74.1 | 8.1 | 111.1 | E1480 A1540 S1544 T1571 L1572 L1577 I1578 T1579 | E1480-R1575 IonicContact OE1-CZ 2.66Å; E1480-R1575 IonicContact OE1-NH1 3.2Å; E1480-R1575 PolarHBondContact OE1-NH1 2.87Å; E1480-R1575 IonicContact OE1-NH2 2.85Å; E1480-R1575 PolarHBondContact OE1-NH2 3.11Å; E1480-R1575 IonicContact OE2-CZ 3.75Å; E1480-R1575 VanDerWaalsContact OE2-CZ 3.31Å; E1480-R1575 IonicContact OE2-NH1 3.85Å; E1480-R1575 IonicContact OE2-NH2 4Å; E1480-R1575 PolarHBondContact OE2-NH2 3.3Å; A1540-R1575 HydrophobicContact CB-CG 4.34Å; S1544-R1575 VanDerWaalsContact CB-N 3.33Å; T1571-R1575 PolarHBondContact O-N 3.41Å; L1572-R1575 WeakPolarHBondContact O-CB 3.23Å; L1572-R1575 PolarHBondContact O-N 3.28Å; L1572-R1575 VanDerWaalsContact O-N 3.07Å; R1575-L1577 VanDerWaalsContact C-N 3.34Å; R1575-L1577 PolarHBondContact O-N 3.27Å; R1575-I1578 PolarHBondContact O-N 3.29Å; R1575-T1579 WeakPolarHBondContact O-CB 3.34Å; R1575-T1579 PolarHBondContact O-N 3.38Å; R1575-T1579 PolarHBondContact O-OG1 3.25Å |
| 1576 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 179.4 | -67.7 | 167.8 | 0 | 0 | 0 | 111.2 | A1473 A1476 E1480 I1499 C1502 L1572 F1573 T1579 Y1580 | A1473-L1576 HydrophobicContact CB-CD1 4.33Å; A1476-L1576 HydrophobicContact CB-CD1 3.55Å; A1476-L1576 HydrophobicContact CB-CD2 4.4Å; E1480-L1576 WeakPolarHBondContact OE1-CD2 3.19Å; I1499-L1576 HydrophobicContact CG1-CD2 4.36Å; I1499-L1576 HydrophobicContact CG2-CD2 4.41Å; C1502-L1576 HydrophobicContact CB-CD1 4.32Å; L1572-L1576 HydrophobicContact CD1-CG 4.5Å; L1572-L1576 HydrophobicContact CG-CD1 4.15Å; L1572-L1576 HydrophobicContact CG-CG 4.47Å; L1572-L1576 WeakPolarHBondContact O-CG 3.32Å; L1572-L1576 PolarHBondContact O-N 3.16Å; F1573-L1576 WeakPolarHBondContact O-CB 3.17Å; F1573-L1576 PolarHBondContact O-N 2.98Å; L1576-T1579 PolarHBondContact O-N 2.63Å; L1576-Y1580 HydrophobicContact CD2-CD2 3.93Å; L1576-Y1580 HydrophobicContact CD2-CE2 3.76Å; L1576-Y1580 WeakPolarHBondContact O-CD2 3.36Å; L1576-Y1580 PolarHBondContact O-N 3.44Å |
| 1577 | L | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 173.6 | -62.9 | -172.3 | 0 | 0 | 0 | 112.2 | V1506 L1517 I1521 F1573 I1574 R1575 T1579 L1581 | V1506-L1577 HydrophobicContact CG2-CD1 3.88Å; V1506-L1577 HydrophobicContact CG2-CD2 3.65Å; V1506-L1577 HydrophobicContact CG2-CG 4.44Å; L1517-L1577 HydrophobicContact CD2-CD1 4.28Å; I1521-L1577 HydrophobicContact CD1-CB 3.9Å; I1521-L1577 HydrophobicContact CD1-CD1 4.34Å; I1521-L1577 HydrophobicContact CG1-CB 4.34Å; F1573-L1577 HydrophobicContact CD1-CD1 4.29Å; F1573-L1577 HydrophobicContact CE1-CD1 3.72Å; F1573-L1577 HydrophobicContact CE1-CG 4.26Å; F1573-L1577 HydrophobicContact CZ-CD1 4.14Å; F1573-L1577 HydrophobicContact CZ-CD2 4.37Å; F1573-L1577 HydrophobicContact CZ-CG 4.4Å; F1573-L1577 WeakPolarHBondContact O-CG 3.32Å; F1573-L1577 PolarHBondContact O-N 3.44Å; I1574-L1577 HydrophobicContact CD1-CD1 4.28Å; I1574-L1577 PolarHBondContact O-N 3.41Å; R1575-L1577 VanDerWaalsContact C-N 3.34Å; R1575-L1577 PolarHBondContact O-N 3.27Å; L1577-T1579 VanDerWaalsContact C-N 3.29Å; L1577-T1579 PolarHBondContact O-N 3.06Å; L1577-L1581 HydrophobicContact CB-CB 4.42Å; L1577-L1581 HydrophobicContact CB-CD2 4.48Å; L1577-L1581 HydrophobicContact CD2-CB 4.46Å; L1577-L1581 HydrophobicContact CD2-CD1 4.19Å; L1577-L1581 HydrophobicContact CD2-CD2 4.31Å; L1577-L1581 WeakPolarHBondContact O-CB 3.27Å; L1577-L1581 PolarHBondContact O-N 2.84Å |
| 1578 | I | 97.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 176.2 | -63.5 | 164 | 0 | 0 | 0 | 110.8 | I1521 L1524 Q1525 A1540 L1543 I1574 R1575 | I1521-I1578 HydrophobicContact CD1-CG1 4.27Å; L1524-I1578 HydrophobicContact CB-CD1 3.93Å; L1524-I1578 HydrophobicContact CB-CG1 3.93Å; L1524-I1578 HydrophobicContact CD1-CD1 4.2Å; Q1525-I1578 HydrophobicContact CG-CG2 4.21Å; Q1525-I1578 WeakPolarHBondContact CG-O 3.29Å; Q1525-I1578 PolarHBondContact NE2-O 2.83Å; A1540-I1578 HydrophobicContact CB-CB 4.22Å; A1540-I1578 HydrophobicContact CB-CG2 3.63Å; L1543-I1578 HydrophobicContact CB-CD1 4.29Å; I1574-I1578 HydrophobicContact CG2-CD1 4.06Å; I1574-I1578 VanDerWaalsContact O-CG1 3.28Å; I1574-I1578 WeakPolarHBondContact O-CG1 3.22Å; I1574-I1578 PolarHBondContact O-N 3.05Å; R1575-I1578 PolarHBondContact O-N 3.29Å |
| 1579 | T | 95.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 39% | 0.387 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -79.9 | -33.4 | -173 | -46.4 | 0 | 0 | 0 | 0 | 113.6 | R1575 L1576 L1577 | R1575-T1579 WeakPolarHBondContact O-CB 3.34Å; R1575-T1579 PolarHBondContact O-N 3.38Å; R1575-T1579 PolarHBondContact O-OG1 3.25Å; L1576-T1579 PolarHBondContact O-N 2.63Å; L1577-T1579 VanDerWaalsContact C-N 3.29Å; L1577-T1579 PolarHBondContact O-N 3.06Å |
| 1580 | Y | 95.5 | Very high | 93.2 | Very high | 107 Ų | 107 | 34.9 Ų | 34.9 | 42% | 0.42 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -132.8 | -5.1 | -165.8 | -55.1 | -70.5 | 0 | 0 | 0 | 116.2 | E1480 I1499 L1576 D1582 | E1480-Y1580 WeakPolarHBondContact OE1-CE2 3.5Å; E1480-Y1580 PolarHBondContact OE1-OH 3.15Å; I1499-Y1580 HydrophobicContact CD1-CE2 4.14Å; I1499-Y1580 HydrophobicContact CG2-CD1 4.29Å; I1499-Y1580 HydrophobicContact CG2-CD2 3.3Å; I1499-Y1580 HydrophobicContact CG2-CE2 3.88Å; I1499-Y1580 HydrophobicContact CG2-CG 3.54Å; L1576-Y1580 HydrophobicContact CD2-CD2 3.93Å; L1576-Y1580 HydrophobicContact CD2-CE2 3.76Å; L1576-Y1580 WeakPolarHBondContact O-CD2 3.36Å; L1576-Y1580 PolarHBondContact O-N 3.44Å; Y1580-D1582 PolarHBondContact O-N 2.77Å |
| 1581 | L | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -77 | 112.4 | 179.2 | -167.5 | 68.9 | 0 | 0 | 0 | 110.7 | C1503 V1506 L1518 I1521 Q1525 L1577 I1583 E1586 | C1503-L1581 HydrophobicContact CB-CD1 3.69Å; V1506-L1581 HydrophobicContact CG2-CD1 4.22Å; V1506-L1581 HydrophobicContact CG2-CD2 4.23Å; L1518-L1581 HydrophobicContact CD2-CD2 3.8Å; I1521-L1581 HydrophobicContact CG2-CD2 4.27Å; Q1525-L1581 PolarHBondContact NE2-O 2.89Å; L1577-L1581 HydrophobicContact CB-CB 4.42Å; L1577-L1581 HydrophobicContact CB-CD2 4.48Å; L1577-L1581 HydrophobicContact CD2-CB 4.46Å; L1577-L1581 HydrophobicContact CD2-CD1 4.19Å; L1577-L1581 HydrophobicContact CD2-CD2 4.31Å; L1577-L1581 WeakPolarHBondContact O-CB 3.27Å; L1577-L1581 PolarHBondContact O-N 2.84Å; L1581-I1583 PolarHBondContact O-N 3Å; L1581-E1586 HydrophobicContact CD1-CG 3.84Å; L1581-E1586 HydrophobicContact CG-CG 4.38Å | ||
| 1582 | D | 93.2 | Very high | 92.4 | Very high | 88 Ų | 88 | 40.9 Ų | 40.9 | 47% | 0.471 | 19% | 0.192 | S | C | . | . | trans | -75.4 | 111.3 | 168.3 | -172.4 | -34.9 | 0 | 0 | 0 | 109.7 | Y1580 E1584 V1585 E1586 | Y1580-D1582 PolarHBondContact O-N 2.77Å; D1582-E1584 PolarHBondContact OD1-N 2.92Å; D1582-V1585 HydrophobicContact CB-CB 4Å; D1582-V1585 HydrophobicContact CB-CG2 4.17Å; D1582-V1585 VanDerWaalsContact CG-CG2 3.41Å; D1582-V1585 PolarHBondContact OD1-N 2.85Å; D1582-V1585 WeakPolarHBondContact OD2-CG2 3.46Å; D1582-E1586 WeakPolarHBondContact O-CG 3.48Å; D1582-E1586 PolarHBondContact O-N 3.08Å; D1582-E1586 VanDerWaalsContact O-N 3.11Å | ||
| 1583 | I | 89.7 | Confident | 91.9 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -81.2 | -28.8 | -175.7 | -60.2 | -174.5 | 0 | 0 | 0 | 111.6 | L1372 L1377 L1518 I1521 L1522 L1581 L1587 | L1372-I1583 HydrophobicContact CD2-CG2 4.44Å; L1377-I1583 HydrophobicContact CD1-CG2 4.33Å; L1518-I1583 HydrophobicContact CB-CG2 4.48Å; L1518-I1583 HydrophobicContact CD2-CG1 4.42Å; L1518-I1583 HydrophobicContact CD2-CG2 4.42Å; I1521-I1583 HydrophobicContact CB-CD1 4.25Å; I1521-I1583 HydrophobicContact CG2-CD1 4.11Å; L1522-I1583 HydrophobicContact CB-CD1 3.62Å; L1522-I1583 HydrophobicContact CD1-CD1 4.12Å; L1522-I1583 HydrophobicContact CG-CD1 4.42Å; L1581-I1583 PolarHBondContact O-N 3Å; I1583-L1587 WeakPolarHBondContact O-CB 3.49Å; I1583-L1587 PolarHBondContact O-N 2.62Å |
| 1584 | E | 86.5 | Confident | 91.3 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 38% | 0.379 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.2 | -44.2 | 174.8 | -72.6 | -175.1 | -164.8 | 0 | 0 | 109.9 | T1371 L1372 D1582 K1588 | T1371-E1584 VanDerWaalsContact CB-OE2 3.3Å; T1371-E1584 WeakPolarHBondContact CB-OE2 3.25Å; T1371-E1584 PolarHBondContact N-OE1 2.88Å; T1371-E1584 VanDerWaalsContact OG1-CD 3.25Å; T1371-E1584 PolarHBondContact OG1-OE1 3.12Å; T1371-E1584 VanDerWaalsContact OG1-OE1 3.13Å; T1371-E1584 PolarHBondContact OG1-OE2 2.77Å; L1372-E1584 HydrophobicContact CB-CG 3.85Å; L1372-E1584 WeakPolarHBondContact CB-OE1 3.49Å; L1372-E1584 HydrophobicContact CD1-CG 3.76Å; L1372-E1584 HydrophobicContact CG-CG 4.33Å; L1372-E1584 PolarHBondContact N-OE1 2.86Å; D1582-E1584 PolarHBondContact OD1-N 2.92Å; E1584-K1588 PolarHBondContact O-N 3.16Å |
| 1585 | V | 90.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 38% | 0.376 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | D1582 L1587 K1588 Y1589 | D1582-V1585 HydrophobicContact CB-CB 4Å; D1582-V1585 HydrophobicContact CB-CG2 4.17Å; D1582-V1585 VanDerWaalsContact CG-CG2 3.41Å; D1582-V1585 PolarHBondContact OD1-N 2.85Å; D1582-V1585 WeakPolarHBondContact OD2-CG2 3.46Å; V1585-L1587 VanDerWaalsContact C-N 3.33Å; V1585-L1587 PolarHBondContact O-N 2.9Å; V1585-K1588 PolarHBondContact O-N 3.47Å; V1585-Y1589 HydrophobicContact CG1-CD2 4.02Å; V1585-Y1589 HydrophobicContact CG1-CE2 3.58Å; V1585-Y1589 WeakPolarHBondContact O-CD2 3.38Å; V1585-Y1589 PolarHBondContact O-N 3.41Å |
| 1586 | E | 91.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 178.8 | -76.9 | -56.7 | 143.6 | 0 | 0 | 113.6 | R1507 R1514 L1518 L1581 D1582 Y1589 L1590 | R1507-E1586 VanDerWaalsContact CG-OE2 3.28Å; R1507-E1586 WeakPolarHBondContact CG-OE2 3.18Å; R1507-E1586 IonicContact CZ-OE1 3.1Å; R1507-E1586 IonicContact CZ-OE2 2.64Å; R1507-E1586 IonicContact NE-OE1 3.97Å; R1507-E1586 PolarHBondContact NE-OE1 2.77Å; R1507-E1586 IonicContact NE-OE2 3.31Å; R1507-E1586 PolarHBondContact NE-OE2 2.86Å; R1507-E1586 IonicContact NH2-OE1 3.89Å; R1507-E1586 PolarHBondContact NH2-OE1 3.35Å; R1514-E1586 IonicContact CZ-OE2 3Å; R1514-E1586 IonicContact NE-OE2 2.68Å; R1514-E1586 PolarHBondContact NH2-O 2.92Å; R1514-E1586 IonicContact NH2-OE2 3.61Å; R1514-E1586 PolarHBondContact NH2-OE2 2.65Å; L1518-E1586 HydrophobicContact CD1-CB 4.24Å; L1518-E1586 HydrophobicContact CD2-CB 3.8Å; L1518-E1586 HydrophobicContact CD2-CG 4.46Å; L1581-E1586 HydrophobicContact CD1-CG 3.84Å; L1581-E1586 HydrophobicContact CG-CG 4.38Å; D1582-E1586 WeakPolarHBondContact O-CG 3.48Å; D1582-E1586 PolarHBondContact O-N 3.08Å; D1582-E1586 VanDerWaalsContact O-N 3.11Å; E1586-Y1589 PolarHBondContact O-N 3.01Å; E1586-L1590 WeakPolarHBondContact O-CB 3.22Å; E1586-L1590 PolarHBondContact O-N 2.93Å |
| 1587 | L | 85.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -34.4 | 176.4 | -174.8 | 58.8 | 0 | 0 | 0 | 112.3 | L1372 C1376 L1377 I1583 V1585 L1590 K1591 | L1372-L1587 HydrophobicContact CD1-CD2 3.67Å; C1376-L1587 HydrophobicContact CB-CD2 3.53Å; C1376-L1587 HydrophobicContact CB-CG 4.19Å; L1377-L1587 HydrophobicContact CD1-CD2 4.47Å; L1377-L1587 HydrophobicContact CD2-CD1 3.75Å; L1377-L1587 HydrophobicContact CD2-CD2 4.34Å; L1377-L1587 HydrophobicContact CG-CD1 4.03Å; L1377-L1587 HydrophobicContact CG-CD2 3.79Å; I1583-L1587 WeakPolarHBondContact O-CB 3.49Å; I1583-L1587 PolarHBondContact O-N 2.62Å; V1585-L1587 VanDerWaalsContact C-N 3.33Å; V1585-L1587 PolarHBondContact O-N 2.9Å; L1587-L1590 HydrophobicContact CD1-CD2 4.25Å; L1587-L1590 PolarHBondContact O-N 2.74Å; L1587-K1591 PolarHBondContact O-N 2.89Å |
| 1588 | K | 87.8 | Confident | 86.6 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.5 | -51.6 | 171.6 | 177.3 | 171.8 | 170.4 | 173.3 | 0 | 111.2 | E1584 V1585 L1590 K1591 E1592 | E1584-K1588 PolarHBondContact O-N 3.16Å; V1585-K1588 PolarHBondContact O-N 3.47Å; K1588-L1590 PolarHBondContact O-N 3.38Å; K1588-K1591 WeakPolarHBondContact O-CB 3.22Å; K1588-K1591 PolarHBondContact O-N 3.36Å; K1588-K1591 VanDerWaalsContact O-N 3.09Å; K1588-E1592 WeakPolarHBondContact CE-OE1 3.4Å; K1588-E1592 IonicContact NZ-OE1 3.69Å; K1588-E1592 WeakPolarHBondContact O-CG 3.49Å; K1588-E1592 PolarHBondContact O-N 3.05Å |
| 1589 | Y | 89.2 | Confident | 84.7 | Confident | 102 Ų | 102 | 64.6 Ų | 64.6 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.9 | -36.2 | 176 | -72.8 | -67.4 | 0 | 0 | 0 | 112.6 | R1507 V1585 E1586 E1593 | R1507-Y1589 VanDerWaalsContact CZ-CD2 3.45Å; R1507-Y1589 VanDerWaalsContact NH2-CD2 3.29Å; V1585-Y1589 HydrophobicContact CG1-CD2 4.02Å; V1585-Y1589 HydrophobicContact CG1-CE2 3.58Å; V1585-Y1589 WeakPolarHBondContact O-CD2 3.38Å; V1585-Y1589 PolarHBondContact O-N 3.41Å; E1586-Y1589 PolarHBondContact O-N 3.01Å; Y1589-E1593 VanDerWaalsContact O-CB 3.3Å; Y1589-E1593 WeakPolarHBondContact O-CB 3.31Å; Y1589-E1593 PolarHBondContact O-N 2.79Å; Y1589-E1593 VanDerWaalsContact O-N 3.08Å |
| 1590 | L | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 176.6 | 178.5 | 61.7 | 0 | 0 | 0 | 112.8 | P1511 R1515 L1518 E1586 L1587 K1588 E1594 | P1511-L1590 HydrophobicContact CB-CD1 3.9Å; R1515-L1590 HydrophobicContact CB-CD2 3.98Å; L1518-L1590 HydrophobicContact CD1-CD2 4.18Å; E1586-L1590 WeakPolarHBondContact O-CB 3.22Å; E1586-L1590 PolarHBondContact O-N 2.93Å; L1587-L1590 HydrophobicContact CD1-CD2 4.25Å; L1587-L1590 PolarHBondContact O-N 2.74Å; K1588-L1590 PolarHBondContact O-N 3.38Å; L1590-E1594 WeakPolarHBondContact O-CG 3.4Å; L1590-E1594 PolarHBondContact O-N 3.42Å |
| 1591 | K | 85.5 | Confident | 80.1 | Confident | 73 Ų | 73 | 69 Ų | 69 | 32% | 0.317 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.3 | -50.4 | 172.5 | -77 | -169.6 | 176.5 | -168.3 | 0 | 111.8 | C1376 L1587 K1588 E1593 E1594 E1595 | C1376-K1591 WeakPolarHBondContact SG-CE 3.42Å; C1376-K1591 PolarHBondContact SG-NZ 3.28Å; L1587-K1591 PolarHBondContact O-N 2.89Å; K1588-K1591 WeakPolarHBondContact O-CB 3.22Å; K1588-K1591 PolarHBondContact O-N 3.36Å; K1588-K1591 VanDerWaalsContact O-N 3.09Å; K1591-E1593 PolarHBondContact O-N 2.91Å; K1591-E1594 WeakPolarHBondContact O-CA 3.16Å; K1591-E1594 PolarHBondContact O-N 3.31Å; K1591-E1595 WeakPolarHBondContact O-CG 3.41Å; K1591-E1595 PolarHBondContact O-N 3.48Å |
| 1592 | E | 87.1 | Confident | 77.5 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.8 | -38.5 | 179.2 | -67.5 | 167.4 | 165.3 | 0 | 0 | 111.1 | K1588 A1596 | K1588-E1592 WeakPolarHBondContact CE-OE1 3.4Å; K1588-E1592 IonicContact NZ-OE1 3.69Å; K1588-E1592 WeakPolarHBondContact O-CG 3.49Å; K1588-E1592 PolarHBondContact O-N 3.05Å; E1592-A1596 VanDerWaalsContact O-CB 3.28Å; E1592-A1596 WeakPolarHBondContact O-CB 3.43Å; E1592-A1596 PolarHBondContact O-N 3Å |
| 1593 | E | 85.7 | Confident | 75 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.5 | -24.9 | 175.5 | -168 | -166 | 129.1 | 0 | 0 | 114.1 | R1514 Y1589 K1591 R1597 | R1514-E1593 IonicContact CZ-OE2 3.61Å; R1514-E1593 IonicContact NH1-OE2 2.64Å; R1514-E1593 PolarHBondContact NH1-OE2 3.43Å; Y1589-E1593 VanDerWaalsContact O-CB 3.3Å; Y1589-E1593 WeakPolarHBondContact O-CB 3.31Å; Y1589-E1593 PolarHBondContact O-N 2.79Å; Y1589-E1593 VanDerWaalsContact O-N 3.08Å; K1591-E1593 PolarHBondContact O-N 2.91Å; E1593-R1597 PolarHBondContact O-NE 3.45Å; E1593-R1597 PolarHBondContact O-NH2 3.48Å; E1593-R1597 IonicContact OE1-NH2 2.7Å |
| 1594 | E | 83.2 | Confident | 72.5 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 12% | 0.121 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -80.4 | -46.6 | 171.6 | -77.4 | -177.4 | 165.8 | 0 | 0 | 111.4 | R1253 R1515 L1590 K1591 A1596 R1597 N1598 | R1253-E1594 IonicContact NH1-OE2 3.79Å; R1253-E1594 PolarHBondContact NH1-OE2 3.33Å; R1515-E1594 IonicContact CZ-OE1 3.69Å; R1515-E1594 IonicContact CZ-OE2 3.82Å; R1515-E1594 IonicContact NH1-OE1 3.01Å; R1515-E1594 PolarHBondContact NH1-OE1 3.23Å; R1515-E1594 IonicContact NH1-OE2 3.45Å; R1515-E1594 VanDerWaalsContact NH2-CD 3.33Å; R1515-E1594 IonicContact NH2-OE1 3.26Å; R1515-E1594 PolarHBondContact NH2-OE1 2.95Å; R1515-E1594 IonicContact NH2-OE2 2.68Å; R1515-E1594 PolarHBondContact NH2-OE2 3.38Å; L1590-E1594 WeakPolarHBondContact O-CG 3.4Å; L1590-E1594 PolarHBondContact O-N 3.42Å; K1591-E1594 WeakPolarHBondContact O-CA 3.16Å; K1591-E1594 PolarHBondContact O-N 3.31Å; E1594-A1596 PolarHBondContact O-N 2.99Å; E1594-R1597 VanDerWaalsContact CG-NH2 3.32Å; E1594-R1597 PolarHBondContact O-N 3.11Å; E1594-R1597 VanDerWaalsContact O-N 3.13Å; E1594-N1598 PolarHBondContact O-N 2.83Å; E1594-N1598 VanDerWaalsContact O-N 3.13Å; E1594-N1598 PolarHBondContact O-OD1 3.23Å |
| 1595 | E | 81 | Confident | 69.9 | Low | 110 Ų | 110 | 86 Ų | 86 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | -179.9 | -71 | 160.5 | -161.2 | 0 | 0 | 111.1 | K1591 R1597 N1598 V1599 | K1591-E1595 WeakPolarHBondContact O-CG 3.41Å; K1591-E1595 PolarHBondContact O-N 3.48Å; E1595-R1597 VanDerWaalsContact C-N 3.25Å; E1595-R1597 PolarHBondContact O-N 2.57Å; E1595-N1598 PolarHBondContact O-N 2.85Å; E1595-V1599 WeakPolarHBondContact O-CG2 3.32Å; E1595-V1599 PolarHBondContact O-N 2.79Å; E1595-V1599 VanDerWaalsContact O-N 3.16Å |
| 1596 | A | 80.1 | Confident | 67 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -26.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1592 E1594 S1600 | E1592-A1596 VanDerWaalsContact O-CB 3.28Å; E1592-A1596 WeakPolarHBondContact O-CB 3.43Å; E1592-A1596 PolarHBondContact O-N 3Å; E1594-A1596 PolarHBondContact O-N 2.99Å; A1596-S1600 PolarHBondContact O-N 2.83Å; A1596-S1600 PolarHBondContact O-OG 3.08Å |
| 1597 | R | 69.9 | Low | 64.1 | Low | 107 Ų | 107 | 95.1 Ų | 95.1 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -79.5 | -35.1 | 175.4 | -86.3 | 178.8 | -71.7 | 119.3 | 1.5 | 112.5 | P1511 E1593 E1594 E1595 S1600 | P1511-R1597 VanDerWaalsContact CG-NH2 3.26Å; E1593-R1597 PolarHBondContact O-NE 3.45Å; E1593-R1597 PolarHBondContact O-NH2 3.48Å; E1593-R1597 IonicContact OE1-NH2 2.7Å; E1594-R1597 VanDerWaalsContact CG-NH2 3.32Å; E1594-R1597 PolarHBondContact O-N 3.11Å; E1594-R1597 VanDerWaalsContact O-N 3.13Å; E1595-R1597 VanDerWaalsContact C-N 3.25Å; E1595-R1597 PolarHBondContact O-N 2.57Å; R1597-S1600 WeakPolarHBondContact O-CB 3.28Å; R1597-S1600 PolarHBondContact O-N 2.86Å |
| 1598 | N | 60.1 | Low | 61.3 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.1 | -45.3 | 176.7 | -62.4 | -8.7 | 0 | 0 | 0 | 111.4 | E1594 E1595 S1600 E1601 E1602 | E1594-N1598 PolarHBondContact O-N 2.83Å; E1594-N1598 VanDerWaalsContact O-N 3.13Å; E1594-N1598 PolarHBondContact O-OD1 3.23Å; E1595-N1598 PolarHBondContact O-N 2.85Å; N1598-S1600 PolarHBondContact O-N 2.91Å; N1598-E1601 PolarHBondContact O-N 3.44Å; N1598-E1602 PolarHBondContact O-N 2.58Å |
| 1599 | V | 56.6 | Low | 58.7 | Low | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.5 | -35.8 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | E1595 E1601 E1602 D1603 | E1595-V1599 WeakPolarHBondContact O-CG2 3.32Å; E1595-V1599 PolarHBondContact O-N 2.79Å; E1595-V1599 VanDerWaalsContact O-N 3.16Å; V1599-E1601 PolarHBondContact O-N 2.67Å; V1599-E1601 VanDerWaalsContact O-N 3.15Å; V1599-E1602 PolarHBondContact O-N 3.02Å; V1599-D1603 PolarHBondContact O-N 2.83Å |
| 1600 | S | 49.7 | Very low | 56 | Low | 95 Ų | 95 | 109.3 Ų | 109.3 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.1 | -11.2 | 176 | -59.3 | 0 | 0 | 0 | 0 | 114.8 | A1596 R1597 N1598 | A1596-S1600 PolarHBondContact O-N 2.83Å; A1596-S1600 PolarHBondContact O-OG 3.08Å; R1597-S1600 WeakPolarHBondContact O-CB 3.28Å; R1597-S1600 PolarHBondContact O-N 2.86Å; N1598-S1600 PolarHBondContact O-N 2.91Å |
| 1601 | E | 45.3 | Very low | 53 | Low | 167 Ų | 167 | 119 Ų | 119 | 78% | 0.78 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -104 | -24.1 | 173.7 | -65.7 | -172.4 | 168.6 | 0 | 0 | 112.7 | N1598 V1599 | N1598-E1601 PolarHBondContact O-N 3.44Å; V1599-E1601 PolarHBondContact O-N 2.67Å; V1599-E1601 VanDerWaalsContact O-N 3.15Å |
| 1602 | E | 41.3 | Very low | 50.4 | Low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.9 | -33.4 | 179.7 | -68.7 | -175.4 | 157.2 | 0 | 0 | 113.4 | N1598 V1599 G1604 | N1598-E1602 PolarHBondContact O-N 2.58Å; V1599-E1602 PolarHBondContact O-N 3.02Å; E1602-G1604 PolarHBondContact O-N 2.93Å |
| 1603 | D | 39.5 | Very low | 47.5 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 10.1 | 176.2 | -74.8 | -29.5 | 0 | 0 | 0 | 114.3 | V1599 | V1599-D1603 PolarHBondContact O-N 2.83Š|
| 1604 | G | 37.5 | Very low | 44.7 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -19.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1602 | E1602-G1604 PolarHBondContact O-N 2.93Š|
| 1605 | E | 33.4 | Very low | 42 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -133.4 | 148.1 | 178.7 | -62.5 | -171.1 | 148 | 0 | 0 | 109.6 | ||
| 1606 | D | 29 | Very low | 39.6 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 94% | 0.941 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 62.3 | 76.9 | -178.4 | -65.2 | -18.5 | 0 | 0 | 0 | 118.4 | ||
| 1607 | G | 30.5 | Very low | 37 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -147 | -11.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1608 | E | 25.8 | Very low | 35.3 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -115.6 | 87.7 | -170.6 | -168.1 | 176.6 | -140 | 0 | 0 | 114.6 | ||||
| 1609 | L | 32.8 | Very low | 33.7 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -179.4 | 91.8 | 141 | -104.7 | 161.5 | 0 | 0 | 0 | 114.6 | ||||
| 1610 | K | 33 | Very low | 32.4 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | 172.9 | 113.5 | 122 | -95.7 | 164.5 | -176.8 | 174.6 | 0 | 112.7 | |||||
| 1611 | K | 27.1 | Very low | 31.4 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -85.5 | 126.7 | 156.5 | -76.8 | 180 | 175.8 | 174.8 | 0 | 109.7 | ||||
| 1612 | T | 29 | Very low | 30.7 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -139.7 | 132.1 | 151.8 | 40.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1613 | V | 26.3 | Very low | 30.1 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -102.7 | 137.5 | -171.6 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1614 | S | 28.7 | Very low | 29.5 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -164.7 | 106.1 | 155.1 | 57 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1615 | D | 25.1 | Very low | 29.2 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | trans | -75.4 | 145.2 | 167 | -57.1 | -79.5 | 0 | 0 | 0 | 111.2 | ||||
| 1616 | T | 31.6 | Very low | 28.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 87% | 0.871 | 84% | 0.835 | S | S | * | * | trans | -166.1 | 139.7 | 145.8 | 2.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1617 | N | 25.4 | Very low | 28.6 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | trans | -82.9 | 160 | 174.6 | -60.8 | -51.4 | 0 | 0 | 0 | 111.3 | ||||
| 1618 | V | 32.7 | Very low | 28.2 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | 176.3 | 149.8 | 115 | 153 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1619 | D | 26.8 | Very low | 28.2 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -51.6 | 156.3 | -166.7 | -52.7 | -76 | 0 | 0 | 0 | 119.7 | ||||
| 1620 | G | 30.8 | Very low | 27.8 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -168.9 | 102.5 | 165 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1621 | T | 27.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -93.7 | 142.9 | -170.3 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1622 | D | 29.8 | Very low | 27.3 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | -158.4 | 157.3 | 113.9 | -128.2 | -21.7 | 0 | 0 | 0 | 116.7 | |||||
| 1623 | T | 30.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -4.8 | 130.1 | 176.1 | 57.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1624 | G | 26.7 | Very low | 27.2 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -159.4 | 0.2 | 170 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1625 | V | 30 | Very low | 27.3 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | 58.4 | 112.1 | 174.6 | -173.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1626 | K | 25.2 | Very low | 27.5 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -85.5 | 161.1 | 162.1 | -62.2 | 174.1 | 178.6 | 174.4 | 0 | 110.8 | ||||
| 1627 | L | 24.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 94% | 0.942 | 78% | 0.781 | S | S | * | * | -141.9 | 139 | 124.1 | -154.5 | 71.5 | 0 | 0 | 0 | 111 | |||||
| 1628 | M | 23.2 | Very low | 27.4 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -158.2 | 162.5 | -178.4 | -149.2 | -79.8 | -163.7 | 0 | 0 | 107.1 | ||||
| 1629 | Q | 25 | Very low | 27 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | 73.6 | 117.2 | 176.7 | -50 | 177 | -34.3 | 0 | 0 | 116.8 | I1631 | Q1629-I1631 HydrophobicContact CB-CD1 4.23Å; Q1629-I1631 HydrophobicContact CB-CG1 4.29Å; Q1629-I1631 HydrophobicContact CG-CD1 3.72Å; Q1629-I1631 HydrophobicContact CG-CG1 4.23Å; Q1629-I1631 VanDerWaalsContact NE2-CD1 3.34Å | ||
| 1630 | F | 24 | Very low | 27 | Very low | 221 Ų | 221 | 141.8 Ų | 141.8 | 97% | 0.969 | 79% | 0.785 | S | S | * | * | -117.6 | 159 | 103.2 | -99.7 | -89.3 | 0 | 0 | 0 | 108.2 | |||||
| 1631 | I | 25.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 55% | 0.549 | 78% | 0.782 | S | S | . | * | trans | -140.6 | 145 | -157.9 | -95.6 | 179.6 | 0 | 0 | 0 | 112.4 | Q1629 | Q1629-I1631 HydrophobicContact CB-CD1 4.23Å; Q1629-I1631 HydrophobicContact CB-CG1 4.29Å; Q1629-I1631 HydrophobicContact CG-CD1 3.72Å; Q1629-I1631 HydrophobicContact CG-CG1 4.23Å; Q1629-I1631 VanDerWaalsContact NE2-CD1 3.34Å | ||
| 1632 | N | 24.5 | Very low | 26.6 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | trans | 47 | 138.9 | 160 | -65 | 6.8 | 0 | 0 | 0 | 121.9 | ||||
| 1633 | N | 28.8 | Very low | 26.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | -146.6 | 161 | 108.4 | -99.8 | -30.4 | 0 | 0 | 0 | 110.6 | |||||
| 1634 | N | 24.8 | Very low | 26.2 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | -84.4 | 178.7 | -172.3 | -57.8 | -20.8 | 0 | 0 | 0 | 110.9 | ||||
| 1635 | D | 30 | Very low | 26.2 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -161.5 | 168.1 | 48.5 | -90.2 | -48.8 | 0 | 0 | 0 | 115.6 | ||||
| 1636 | N | 29.9 | Very low | 26.2 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 78.3 | 86.9 | 156.1 | -66.9 | -44 | 0 | 0 | 0 | 121.3 | ||||
| 1637 | N | 26 | Very low | 26.2 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 44.4 | 107.3 | 120.3 | -63.3 | -24.6 | 0 | 0 | 0 | 120.4 | |||||
| 1638 | N | 29.3 | Very low | 26.4 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | -155.6 | 146 | 110.9 | -118.4 | -32.2 | 0 | 0 | 0 | 112 | |||||
| 1639 | I | 22.9 | Very low | 26.6 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -112.5 | 126.7 | -169.7 | -61.8 | 169.5 | 0 | 0 | 0 | 110.9 | ||||
| 1640 | V | 27.1 | Very low | 27 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -136 | 137.8 | 152.9 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1641 | S | 27.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 142.1 | -170.5 | -167.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1642 | C | 23.6 | Very low | 27.6 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | trans | -69.3 | 157.5 | 161.6 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1643 | N | 26.2 | Very low | 27.8 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -115.3 | 125.3 | 137.8 | -100 | -7.2 | 0 | 0 | 0 | 105.7 | ||||
| 1644 | H | 25.6 | Very low | 27.7 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -78.6 | 130.3 | 173.9 | -79.6 | -104.6 | 0 | 0 | 0 | 109.7 | ||||
| 1645 | D | 26.1 | Very low | 28 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | -179.4 | 156.4 | 117.6 | -87.8 | -20.6 | 0 | 0 | 0 | 111.1 | |||||
| 1646 | K | 30 | Very low | 28.1 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 90% | 0.9 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 62.8 | 46.8 | 175.8 | -55.3 | -169.2 | 178.8 | -171.1 | 0 | 117.4 | ||
| 1647 | F | 26.7 | Very low | 28.2 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 63% | 0.632 | 71% | 0.714 | S | S | * | * | trans | -127.3 | 102.2 | 159.2 | -72.3 | -68.1 | 0 | 0 | 0 | 112.4 | L1649 V1655 L1657 | F1647-L1649 PolarHBondContact O-N 2.84Å; F1647-V1655 HydrophobicContact CD1-CG1 3.73Å; F1647-V1655 HydrophobicContact CE1-CG1 3.78Å; F1647-L1657 HydrophobicContact CE1-CD2 4.29Å | ||
| 1648 | S | 29 | Very low | 28.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -84.4 | 103.2 | 167.9 | 56 | 0 | 0 | 0 | 0 | 110.2 | S1650 | S1648-S1650 PolarHBondContact O-N 2.88Š| ||
| 1649 | L | 26.8 | Very low | 28.7 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | trans | -68.2 | 129.3 | 170 | -87.9 | 80.1 | 0 | 0 | 0 | 110.1 | F1647 | F1647-L1649 PolarHBondContact O-N 2.84Š| ||
| 1650 | S | 32.5 | Very low | 29.4 | Very low | 64 Ų | 64 | 123.2 Ų | 123.2 | 45% | 0.448 | 70% | 0.701 | S | S | . | * | trans | -97.1 | 155 | 157.4 | 69.9 | 0 | 0 | 0 | 0 | 109.6 | S1648 N1652 | S1648-S1650 PolarHBondContact O-N 2.88Å; S1650-N1652 PolarHBondContact O-N 2.84Å | ||
| 1651 | S | 30.5 | Very low | 29.9 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 8.5 | -168 | 54.2 | 0 | 0 | 0 | 0 | 117 | ||
| 1652 | N | 31.7 | Very low | 30.4 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 38% | 0.38 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.4 | 17.5 | -168.8 | -72.8 | 75.6 | 0 | 0 | 0 | 113.7 | S1650 Y1654 | S1650-N1652 PolarHBondContact O-N 2.84Å; N1652-Y1654 VanDerWaalsContact C-N 3.27Å; N1652-Y1654 VanDerWaalsContact O-CD2 3.24Å; N1652-Y1654 WeakPolarHBondContact O-CD2 3.3Å; N1652-Y1654 PolarHBondContact O-N 2.83Å; N1652-Y1654 VanDerWaalsContact O-N 3.15Å |
| 1653 | G | 29.2 | Very low | 31.2 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 75.3 | 0 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1654 | Y | 27 | Very low | 31.9 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 128.3 | 175.9 | -69.7 | -82.2 | 0 | 0 | 0 | 111.6 | N1652 | N1652-Y1654 VanDerWaalsContact C-N 3.27Å; N1652-Y1654 VanDerWaalsContact O-CD2 3.24Å; N1652-Y1654 WeakPolarHBondContact O-CD2 3.3Å; N1652-Y1654 PolarHBondContact O-N 2.83Å; N1652-Y1654 VanDerWaalsContact O-N 3.15Å |
| 1655 | V | 30.7 | Very low | 32.6 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -92.9 | 124.8 | 171.4 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | F1647 L1657 | F1647-V1655 HydrophobicContact CD1-CG1 3.73Å; F1647-V1655 HydrophobicContact CE1-CG1 3.78Å; V1655-L1657 HydrophobicContact CG1-CD2 4.41Å |
| 1656 | Y | 32 | Very low | 33.7 | Very low | 180 Ų | 180 | 112.4 Ų | 112.4 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 132.5 | 172.6 | -72.2 | -95.1 | 0 | 0 | 0 | 109.6 | ||
| 1657 | L | 33.1 | Very low | 34.2 | Very low | 88 Ų | 88 | 106.3 Ų | 106.3 | 46% | 0.461 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -101.6 | 125.5 | 177.7 | -63 | 171.3 | 0 | 0 | 0 | 109.4 | F1647 V1655 S1659 V1661 | F1647-L1657 HydrophobicContact CE1-CD2 4.29Å; V1655-L1657 HydrophobicContact CG1-CD2 4.41Å; L1657-S1659 PolarHBondContact O-N 2.88Å; L1657-V1661 HydrophobicContact CD1-CB 3.99Å; L1657-V1661 HydrophobicContact CD1-CG2 3.82Å; L1657-V1661 HydrophobicContact CD2-CG2 4.12Å; L1657-V1661 HydrophobicContact CG-CG2 4.42Å |
| 1658 | S | 33.2 | Very low | 34.6 | Very low | 127 Ų | 127 | 103.9 Ų | 103.9 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -82.8 | 4.6 | 179 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1659 | S | 30.8 | Very low | 35 | Very low | 79 Ų | 79 | 103 Ų | 103 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -159.3 | 151.3 | 175.3 | -77.5 | 0 | 0 | 0 | 0 | 109.5 | L1657 V1661 | L1657-S1659 PolarHBondContact O-N 2.88Å; S1659-V1661 PolarHBondContact O-N 2.8Å |
| 1660 | P | 38.4 | Very low | 35.5 | Very low | 106 Ų | 106 | 98.5 Ų | 98.5 | 69% | 0.688 | 57% | 0.568 | S | S | * | * | trans | -67.7 | 129 | -176.5 | 26.9 | -34.4 | 0 | 0 | 0 | 111.5 | I1674 | P1660-I1674 CarbonylContact C-O 3.28Å; P1660-I1674 WeakPolarHBondContact CA-O 3.43Å; P1660-I1674 WeakPolarHBondContact CB-O 3.35Å | ||
| 1661 | V | 37.7 | Very low | 36.3 | Very low | 64 Ų | 64 | 101 Ų | 101 | 39% | 0.388 | 57% | 0.571 | S | S | . | * | trans | -109.3 | 124.5 | -176.7 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | L1657 S1659 V1663 I1674 | L1657-V1661 HydrophobicContact CD1-CB 3.99Å; L1657-V1661 HydrophobicContact CD1-CG2 3.82Å; L1657-V1661 HydrophobicContact CD2-CG2 4.12Å; L1657-V1661 HydrophobicContact CG-CG2 4.42Å; S1659-V1661 PolarHBondContact O-N 2.8Å; V1661-V1663 HydrophobicContact CG1-CG2 4.24Å; V1661-V1663 PolarHBondContact O-N 2.85Å; V1661-V1663 VanDerWaalsContact O-N 3.15Å; V1661-I1674 PolarHBondContact N-O 3.03Å; V1661-I1674 PolarHBondContact O-N 3.44Å | ||
| 1662 | R | 38.6 | Very low | 36.7 | Very low | 186 Ų | 186 | 99.3 Ų | 99.3 | 70% | 0.702 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.8 | 97.4 | 173.6 | -77.6 | -174.5 | 176.4 | -177 | -0.6 | 110.5 | F1671 | R1662-F1671 HydrophobicContact CB-CB 4.11Å; R1662-F1671 HydrophobicContact CB-CD1 3.84Å; R1662-F1671 HydrophobicContact CB-CG 4.26Å; R1662-F1671 HydrophobicContact CG-CB 4.39Å |
| 1663 | V | 38.7 | Very low | 37 | Very low | 58 Ų | 58 | 100.4 Ų | 100.4 | 35% | 0.352 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 133.2 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | V1661 L1665 F1671 I1672 I1674 | V1661-V1663 HydrophobicContact CG1-CG2 4.24Å; V1661-V1663 PolarHBondContact O-N 2.85Å; V1661-V1663 VanDerWaalsContact O-N 3.15Å; V1663-L1665 HydrophobicContact CG1-CD2 4.3Å; V1663-F1671 WeakPolarHBondContact O-CA 3.39Å; V1663-I1672 PolarHBondContact N-O 3.22Å; V1663-I1672 VanDerWaalsContact N-O 3.15Å; V1663-I1672 PolarHBondContact O-N 3.16Å; V1663-I1674 HydrophobicContact CB-CD1 4.17Å; V1663-I1674 HydrophobicContact CG2-CD1 3.84Å; V1663-I1674 HydrophobicContact CG2-CG1 4.5Å |
| 1664 | R | 41.3 | Very low | 37.5 | Very low | 143 Ų | 143 | 103.4 Ų | 103.4 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.1 | 178.1 | -166.7 | -170.5 | 178.8 | 154.5 | 0.4 | 109.2 | G1666 P1667 F1671 | R1664-G1666 WeakPolarHBondContact CG-O 3.45Å; R1664-G1666 PolarHBondContact O-N 3.3Å; R1664-P1667 PolarHBondContact NE-O 2.71Å; R1664-P1667 PolarHBondContact NH2-O 3.09Å; R1664-F1671 HydrophobicContact CB-CD1 3.81Å; R1664-F1671 HydrophobicContact CB-CE1 3.76Å; R1664-F1671 HydrophobicContact CG-CD1 4.29Å; R1664-F1671 HydrophobicContact CG-CE1 4.16Å; R1664-F1671 HydrophobicContact CG-CZ 4.46Å |
| 1665 | L | 40.2 | Very low | 38 | Very low | 100 Ų | 100 | 101.5 Ų | 101.5 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | trans | -81.1 | 61.7 | -173.9 | -66.4 | -178.8 | 0 | 0 | 0 | 112.8 | V1663 N1669 I1672 | V1663-L1665 HydrophobicContact CG1-CD2 4.3Å; L1665-N1669 HydrophobicContact CB-CB 4.17Å; L1665-N1669 WeakPolarHBondContact O-CB 3.36Å; L1665-N1669 PolarHBondContact O-ND2 3.16Å; L1665-I1672 HydrophobicContact CD1-CD1 3.63Å; L1665-I1672 HydrophobicContact CD1-CG1 4.44Å | ||
| 1666 | G | 48.7 | Very low | 38.4 | Very low | 37 Ų | 37 | 102.1 Ų | 102.1 | 38% | 0.381 | 56% | 0.56 | S | S | . | * | S | Bend | trans | 91.1 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1664 D1668 | R1664-G1666 WeakPolarHBondContact CG-O 3.45Å; R1664-G1666 PolarHBondContact O-N 3.3Å; G1666-D1668 VanDerWaalsContact C-N 3.34Å; G1666-D1668 PolarHBondContact O-N 3.12Å |
| 1667 | P | 41.6 | Very low | 38.7 | Very low | 78 Ų | 78 | 97.8 Ų | 97.8 | 51% | 0.506 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -65.1 | -31.4 | -168.9 | 23.6 | -33.6 | 0 | 0 | 0 | 114.2 | R1664 | R1664-P1667 PolarHBondContact NE-O 2.71Å; R1664-P1667 PolarHBondContact NH2-O 3.09Å |
| 1668 | D | 34 | Very low | 39.1 | Very low | 93 Ų | 93 | 98.4 Ų | 98.4 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -109.8 | -9.5 | -169.2 | -56.7 | -22.9 | 0 | 0 | 0 | 114.4 | K545 G1666 | K545-D1668 VanDerWaalsContact CE-OD2 3.31Å; K545-D1668 WeakPolarHBondContact CE-OD2 3.19Å; K545-D1668 WeakPolarHBondContact CG-OD2 3.4Å; K545-D1668 IonicContact NZ-OD1 3.57Å; K545-D1668 PolarHBondContact NZ-OD1 3.22Å; K545-D1668 IonicContact NZ-OD2 2.73Å; K545-D1668 PolarHBondContact NZ-OD2 3.37Å; G1666-D1668 VanDerWaalsContact C-N 3.34Å; G1666-D1668 PolarHBondContact O-N 3.12Å |
| 1669 | N | 38.3 | Very low | 39.4 | Very low | 103 Ų | 103 | 96.6 Ų | 96.6 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -89.8 | 140.6 | 176.1 | -62.7 | -45.7 | 0 | 0 | 0 | 110.5 | L1665 | L1665-N1669 HydrophobicContact CB-CB 4.17Å; L1665-N1669 WeakPolarHBondContact O-CB 3.36Å; L1665-N1669 PolarHBondContact O-ND2 3.16Å |
| 1670 | G | 37 | Very low | 40 | Very low | 58 Ų | 58 | 97.7 Ų | 97.7 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 163 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1672 | G1670-I1672 PolarHBondContact O-N 2.99Š|
| 1671 | F | 48.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 97.1 Ų | 97.1 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.7 | 173.9 | -65.4 | -84.4 | 0 | 0 | 0 | 111 | R1662 V1663 R1664 | R1662-F1671 HydrophobicContact CB-CB 4.11Å; R1662-F1671 HydrophobicContact CB-CD1 3.84Å; R1662-F1671 HydrophobicContact CB-CG 4.26Å; R1662-F1671 HydrophobicContact CG-CB 4.39Å; V1663-F1671 WeakPolarHBondContact O-CA 3.39Å; R1664-F1671 HydrophobicContact CB-CD1 3.81Å; R1664-F1671 HydrophobicContact CB-CE1 3.76Å; R1664-F1671 HydrophobicContact CG-CD1 4.29Å; R1664-F1671 HydrophobicContact CG-CE1 4.16Å; R1664-F1671 HydrophobicContact CG-CZ 4.46Å |
| 1672 | I | 40.1 | Very low | 40.3 | Very low | 86 Ų | 86 | 99.7 Ų | 99.7 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.8 | 166.7 | -59.3 | -173.4 | 0 | 0 | 0 | 107.8 | V1663 L1665 G1670 | V1663-I1672 PolarHBondContact N-O 3.22Å; V1663-I1672 VanDerWaalsContact N-O 3.15Å; V1663-I1672 PolarHBondContact O-N 3.16Å; L1665-I1672 HydrophobicContact CD1-CD1 3.63Å; L1665-I1672 HydrophobicContact CD1-CG1 4.44Å; G1670-I1672 PolarHBondContact O-N 2.99Å |
| 1673 | P | 38.3 | Very low | 40.4 | Very low | 95 Ų | 95 | 92.5 Ų | 92.5 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.1 | 168.7 | 31 | -32.2 | 0 | 0 | 0 | 110 | ||
| 1674 | I | 38.1 | Very low | 40.6 | Very low | 141 Ų | 141 | 95.6 Ų | 95.6 | 72% | 0.723 | 54% | 0.536 | S | S | * | . | trans | -122.1 | 0 | 169.3 | -53.9 | -176.9 | 0 | 0 | 0 | 107.1 | P1660 V1661 V1663 | P1660-I1674 CarbonylContact C-O 3.28Å; P1660-I1674 WeakPolarHBondContact CA-O 3.43Å; P1660-I1674 WeakPolarHBondContact CB-O 3.35Å; V1661-I1674 PolarHBondContact N-O 3.03Å; V1661-I1674 PolarHBondContact O-N 3.44Å; V1663-I1674 HydrophobicContact CB-CD1 4.17Å; V1663-I1674 HydrophobicContact CG2-CD1 3.84Å; V1663-I1674 HydrophobicContact CG2-CG1 4.5Å |
Retrieved 1,674 of 1,674 residues in 458.1 ms
(Link to these results)