| 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 | 31.7 | Very low | 69.3 | Low | 243 Ų | 243 | 78.5 Ų | 78.5 | 100% | 1.197 | 42% | 0.421 | S | S | * | . | 0 | 171.4 | 0 | -72.4 | 170.6 | 172.3 | 0 | 0 | 107.8 | |||||
| 2 | A | 32.1 | Very low | 71.1 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 72% | 0.719 | 41% | 0.409 | S | S | * | . | trans | -61.4 | 146.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I4 | A2-I4 PolarHBondContact O-N 3.05Š| ||
| 3 | L | 48.1 | Very low | 72.8 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 63% | 0.628 | 40% | 0.399 | S | S | * | . | trans | -67.6 | 102.4 | 169.2 | -72 | 171.6 | 0 | 0 | 0 | 107.8 | M5 | L3-M5 PolarHBondContact O-N 3.35Š| ||
| 4 | I | 62.2 | Low | 74.2 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 43% | 0.431 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -65.3 | -22.1 | -179.2 | -67.6 | 175.2 | 0 | 0 | 0 | 111.4 | A2 L213 V215 T292 | A2-I4 PolarHBondContact O-N 3.05Å; I4-L213 HydrophobicContact CB-CB 4.18Å; I4-L213 HydrophobicContact CB-CD1 4.32Å; I4-L213 HydrophobicContact CD1-CB 4.2Å; I4-L213 WeakPolarHBondContact CD1-O 3.08Å; I4-L213 HydrophobicContact CG2-CB 3.68Å; I4-L213 HydrophobicContact CG2-CD1 4.12Å; I4-V215 HydrophobicContact CG2-CG2 3.57Å; I4-T292 HydrophobicContact CG2-CG2 4.2Å |
| 5 | M | 74 | Confident | 75.3 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 9% | 0.094 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -143.3 | 144.8 | 177.5 | -175.3 | 179.9 | 76.3 | 0 | 0 | 108.4 | L3 L76 L80 L213 I263 Q264 | L3-M5 PolarHBondContact O-N 3.35Å; M5-L76 HydrophobicContact CE-CD1 4.47Å; M5-L76 HydrophobicContact CE-CD2 3.77Å; M5-L76 HydrophobicContact CE-CG 3.95Å; M5-L76 HydrophobicContact SD-CD2 4.18Å; M5-L80 HydrophobicContact CE-CD1 3.57Å; M5-L213 HydrophobicContact CB-CD1 3.89Å; M5-I263 HydrophobicContact SD-CG2 3.79Å; M5-Q264 HydrophobicContact CG-CG 4.5Å; M5-Q264 HydrophobicContact SD-CG 3.97Å |
| 6 | E | 78.6 | Confident | 76.4 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | trans | -74 | 130.8 | 170.9 | 179.1 | 162.3 | -135.2 | 0 | 0 | 110.2 | K10 | E6-K10 HydrophobicContact CG-CB 3.93Å; E6-K10 HydrophobicContact CG-CD 4.41Å | ||
| 7 | P | 83.1 | Confident | 77.4 | Confident | 35 Ų | 35 | 64 Ų | 64 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | trans | -60.3 | 142.9 | 177.9 | 24.4 | -35.5 | 0 | 0 | 0 | 111.6 | S9 K10 N77 | P7-S9 PolarHBondContact O-N 3.1Å; P7-S9 VanDerWaalsContact O-N 3.15Å; P7-K10 HydrophobicContact CG-CD 3.96Å; P7-K10 HydrophobicContact CG-CG 4.1Å; P7-K10 PolarHBondContact O-N 3.19Å; P7-N77 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 8 | V | 85.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -58.3 | -32.6 | -175.9 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | K10 W11 G41 L45 L73 N77 | V8-K10 PolarHBondContact O-N 3.32Å; V8-W11 HydrophobicContact CB-CD2 4.37Å; V8-W11 HydrophobicContact CB-CZ2 4.14Å; V8-W11 HydrophobicContact CG1-CD2 3.97Å; V8-W11 HydrophobicContact CG1-CE3 3.95Å; V8-W11 HydrophobicContact CG1-CH2 4.11Å; V8-W11 HydrophobicContact CG1-CZ2 4.13Å; V8-W11 HydrophobicContact CG1-CZ3 4.03Å; V8-W11 HydrophobicContact CG2-CH2 3.95Å; V8-W11 HydrophobicContact CG2-CZ2 3.46Å; V8-W11 VanDerWaalsContact CG2-CZ2 3.46Å; V8-W11 PolarHBondContact O-N 3.31Å; V8-G41 CarbonylContact O-C 3.56Å; V8-G41 VanDerWaalsContact O-CA 3.27Å; V8-G41 WeakPolarHBondContact O-CA 3.48Å; V8-L45 HydrophobicContact CB-CD1 4.01Å; V8-L45 HydrophobicContact CB-CD2 4.23Å; V8-L45 HydrophobicContact CB-CG 4.36Å; V8-L45 HydrophobicContact CG1-CD1 4.01Å; V8-L45 HydrophobicContact CG1-CD2 3.85Å; V8-L45 HydrophobicContact CG1-CG 3.86Å; V8-L73 HydrophobicContact CG1-CB 4.46Å; V8-L73 HydrophobicContact CG1-CD1 4.16Å; V8-L73 HydrophobicContact CG2-CD2 4.44Å; V8-N77 HydrophobicContact CB-CB 4.16Å; V8-N77 HydrophobicContact CG2-CB 4.15Å; V8-N77 PolarHBondContact N-OD1 2.75Å |
| 9 | S | 86.1 | Confident | 79 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -66 | -2.1 | 175.7 | 62.9 | 0 | 0 | 0 | 0 | 115.3 | P7 | P7-S9 PolarHBondContact O-N 3.1Å; P7-S9 VanDerWaalsContact O-N 3.15Å |
| 10 | K | 88.1 | Confident | 79.7 | Confident | 128 Ų | 128 | 57.5 Ų | 57.5 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -107.4 | -6.5 | 172.4 | -68.2 | -173.7 | 179.3 | -176.5 | 0 | 114.2 | E6 P7 V8 S12 | E6-K10 HydrophobicContact CG-CB 3.93Å; E6-K10 HydrophobicContact CG-CD 4.41Å; P7-K10 HydrophobicContact CG-CD 3.96Å; P7-K10 HydrophobicContact CG-CG 4.1Å; P7-K10 PolarHBondContact O-N 3.19Å; V8-K10 PolarHBondContact O-N 3.32Å; K10-S12 PolarHBondContact O-N 2.8Å |
| 11 | W | 92.4 | Very high | 80.3 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | trans | -60.5 | 136.4 | -173.4 | -68.8 | 0.7 | 0 | 0 | 0 | 112.4 | V8 Q15 V16 W19 G41 L73 T269 | V8-W11 HydrophobicContact CB-CD2 4.37Å; V8-W11 HydrophobicContact CB-CZ2 4.14Å; V8-W11 HydrophobicContact CG1-CD2 3.97Å; V8-W11 HydrophobicContact CG1-CE3 3.95Å; V8-W11 HydrophobicContact CG1-CH2 4.11Å; V8-W11 HydrophobicContact CG1-CZ2 4.13Å; V8-W11 HydrophobicContact CG1-CZ3 4.03Å; V8-W11 HydrophobicContact CG2-CH2 3.95Å; V8-W11 HydrophobicContact CG2-CZ2 3.46Å; V8-W11 VanDerWaalsContact CG2-CZ2 3.46Å; V8-W11 PolarHBondContact O-N 3.31Å; W11-Q15 VanDerWaalsContact CA-OE1 3.28Å; W11-Q15 HydrophobicContact CB-CB 3.96Å; W11-Q15 HydrophobicContact CD2-CB 4.47Å; W11-Q15 HydrophobicContact CG-CB 4.19Å; W11-V16 HydrophobicContact CB-CG2 4.31Å; W11-V16 HydrophobicContact CE3-CG2 4.39Å; W11-W19 HydrophobicContact CH2-CG 4.48Å; W11-W19 HydrophobicContact CZ3-CB 3.94Å; W11-W19 HydrophobicContact CZ3-CD2 4.49Å; W11-W19 AromaticContact CZ3-CG 3.96Å; W11-W19 HydrophobicContact CZ3-CG 3.96Å; W11-G41 PolarHBondContact O-N 3.35Å; W11-L73 HydrophobicContact CH2-CD1 4.11Å; W11-L73 HydrophobicContact CH2-CD2 3.78Å; W11-L73 HydrophobicContact CZ3-CD1 3.91Å; W11-L73 HydrophobicContact CZ3-CD2 4.42Å; W11-T269 HydrophobicContact CH2-CG2 3.73Å; W11-T269 HydrophobicContact CZ2-CG2 3.86Å; W11-T269 VanDerWaalsContact CZ2-OG1 3.27Å; W11-T269 WeakPolarHBondContact CZ2-OG1 3.38Å | ||
| 12 | S | 91.9 | Very high | 83 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | trans | -65.5 | 159.9 | 169.8 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | K10 S14 Q15 V16 | K10-S12 PolarHBondContact O-N 2.8Å; S12-S14 PolarHBondContact O-N 3.16Å; S12-S14 PolarHBondContact OG-N 3.48Å; S12-S14 PolarHBondContact OG-OG 3.42Å; S12-Q15 PolarHBondContact O-N 3.11Å; S12-Q15 VanDerWaalsContact O-N 3.1Å; S12-Q15 PolarHBondContact OG-N 3.2Å; S12-Q15 VanDerWaalsContact OG-N 3.14Å; S12-Q15 PolarHBondContact OG-OE1 3.13Å; S12-V16 PolarHBondContact O-N 2.7Å | ||
| 13 | P | 92.2 | Very high | 85.8 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -27.1 | 173.1 | -25.3 | 36.2 | 0 | 0 | 0 | 113.6 | V17 K38 I39 | P13-V17 WeakPolarHBondContact O-CB 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.38Å; P13-V17 PolarHBondContact O-N 2.62Å; P13-K38 HydrophobicContact CB-CB 4.25Å; P13-K38 HydrophobicContact CG-CB 3.98Å; P13-K38 VanDerWaalsContact CG-O 3.29Å; P13-K38 WeakPolarHBondContact CG-O 3.15Å; P13-I39 WeakPolarHBondContact CA-O 3Å |
| 14 | S | 92.2 | Very high | 87.7 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 49% | 0.49 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 173.7 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | S12 V16 V17 D18 | S12-S14 PolarHBondContact O-N 3.16Å; S12-S14 PolarHBondContact OG-N 3.48Å; S12-S14 PolarHBondContact OG-OG 3.42Å; S14-V16 VanDerWaalsContact C-N 3.31Å; S14-V16 PolarHBondContact O-N 3.14Å; S14-V17 CarbonylContact O-C 3.59Å; S14-V17 WeakPolarHBondContact O-CB 2.81Å; S14-V17 PolarHBondContact O-N 2.68Å; S14-D18 WeakPolarHBondContact O-CB 3.28Å; S14-D18 VanDerWaalsContact O-CG 3.26Å; S14-D18 PolarHBondContact O-N 2.8Å; S14-D18 VanDerWaalsContact O-OD2 3.12Å |
| 15 | Q | 91.4 | Very high | 89 | Confident | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 175 | -73.2 | 167 | -49.2 | 0 | 0 | 112.2 | W11 S12 W19 | W11-Q15 VanDerWaalsContact CA-OE1 3.28Å; W11-Q15 HydrophobicContact CB-CB 3.96Å; W11-Q15 HydrophobicContact CD2-CB 4.47Å; W11-Q15 HydrophobicContact CG-CB 4.19Å; S12-Q15 PolarHBondContact O-N 3.11Å; S12-Q15 VanDerWaalsContact O-N 3.1Å; S12-Q15 PolarHBondContact OG-N 3.2Å; S12-Q15 VanDerWaalsContact OG-N 3.14Å; S12-Q15 PolarHBondContact OG-OE1 3.13Å; Q15-W19 WeakPolarHBondContact O-CB 3.29Å; Q15-W19 PolarHBondContact O-N 2.74Å |
| 16 | V | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 171.8 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | W11 S12 S14 W19 M20 F34 L44 | W11-V16 HydrophobicContact CB-CG2 4.31Å; W11-V16 HydrophobicContact CE3-CG2 4.39Å; S12-V16 PolarHBondContact O-N 2.7Å; S14-V16 VanDerWaalsContact C-N 3.31Å; S14-V16 PolarHBondContact O-N 3.14Å; V16-W19 PolarHBondContact O-N 3.3Å; V16-M20 WeakPolarHBondContact O-CB 3.48Å; V16-M20 PolarHBondContact O-N 3.3Å; V16-F34 HydrophobicContact CG1-CD1 4.39Å; V16-L44 HydrophobicContact CG1-CD1 4.48Å; V16-L44 HydrophobicContact CG1-CD2 4.13Å; V16-L44 HydrophobicContact CG2-CD2 4.18Å |
| 17 | V | 93.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.4 | 156.4 | 0 | 0 | 0 | 0 | 111.9 | P13 S14 M20 K21 I31 E35 | P13-V17 WeakPolarHBondContact O-CB 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.38Å; P13-V17 PolarHBondContact O-N 2.62Å; S14-V17 CarbonylContact O-C 3.59Å; S14-V17 WeakPolarHBondContact O-CB 2.81Å; S14-V17 PolarHBondContact O-N 2.68Å; V17-M20 PolarHBondContact O-N 3.28Å; V17-K21 WeakPolarHBondContact O-CG 3.31Å; V17-K21 PolarHBondContact O-N 3.19Å; V17-K21 VanDerWaalsContact O-N 3.09Å; V17-I31 HydrophobicContact CG1-CG2 3.69Å; V17-I31 HydrophobicContact CG2-CG2 4.29Å; V17-E35 HydrophobicContact CG2-CB 3.9Å |
| 18 | D | 91.4 | Very high | 90.9 | Very high | 61 Ų | 61 | 39 Ų | 39 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.2 | -35.8 | 179.8 | -69.6 | -36.2 | 0 | 0 | 0 | 112.2 | S14 K21 | S14-D18 WeakPolarHBondContact O-CB 3.28Å; S14-D18 VanDerWaalsContact O-CG 3.26Å; S14-D18 PolarHBondContact O-N 2.8Å; S14-D18 VanDerWaalsContact O-OD2 3.12Å; D18-K21 IonicContact OD1-NZ 3.7Å; D18-K21 PolarHBondContact OD1-NZ 3.31Å |
| 19 | W | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 167.3 | 169.8 | 78.7 | 0 | 0 | 0 | 112.1 | W11 Q15 V16 K21 G22 L23 L44 A69 V70 L73 V271 W273 | W11-W19 HydrophobicContact CH2-CG 4.48Å; W11-W19 HydrophobicContact CZ3-CB 3.94Å; W11-W19 HydrophobicContact CZ3-CD2 4.49Å; W11-W19 AromaticContact CZ3-CG 3.96Å; W11-W19 HydrophobicContact CZ3-CG 3.96Å; Q15-W19 WeakPolarHBondContact O-CB 3.29Å; Q15-W19 PolarHBondContact O-N 2.74Å; V16-W19 PolarHBondContact O-N 3.3Å; W19-K21 VanDerWaalsContact C-N 3.28Å; W19-K21 PolarHBondContact O-N 3.19Å; W19-G22 PolarHBondContact O-N 3.07Å; W19-G22 VanDerWaalsContact O-N 3.07Å; W19-L23 HydrophobicContact CE3-CD1 4.49Å; W19-L23 HydrophobicContact CH2-CD1 3.81Å; W19-L23 HydrophobicContact CH2-CD2 4.36Å; W19-L23 HydrophobicContact CZ2-CD1 4.15Å; W19-L23 HydrophobicContact CZ2-CD2 3.84Å; W19-L23 HydrophobicContact CZ2-CG 4.49Å; W19-L23 HydrophobicContact CZ3-CD1 3.98Å; W19-L44 HydrophobicContact CE3-CD2 3.95Å; W19-L44 HydrophobicContact CH2-CD2 4.36Å; W19-L44 HydrophobicContact CZ3-CD1 4.04Å; W19-L44 HydrophobicContact CZ3-CD2 3.76Å; W19-L44 HydrophobicContact CZ3-CG 4.46Å; W19-A69 HydrophobicContact CH2-CB 3.99Å; W19-A69 HydrophobicContact CZ2-CB 3.71Å; W19-V70 HydrophobicContact CH2-CG2 3.99Å; W19-L73 HydrophobicContact CD2-CD1 3.96Å; W19-L73 HydrophobicContact CE3-CD1 4.37Å; W19-L73 HydrophobicContact CH2-CD1 3.94Å; W19-L73 HydrophobicContact CZ2-CD1 3.47Å; W19-L73 VanDerWaalsContact CZ2-CD1 3.47Å; W19-L73 HydrophobicContact CZ2-CG 3.88Å; W19-L73 HydrophobicContact CZ3-CD1 4.37Å; W19-V271 PolarHBondContact NE1-O 3.28Å; W19-W273 AromaticContact CD1-CD1 3.92Å; W19-W273 AromaticContact CD1-NE1 3.4Å; W19-W273 AromaticContact NE1-CD1 3.99Å; W19-W273 AromaticContact NE1-NE1 3.92Å; W19-W273 PolarHBondContact O-NE1 3.15Å |
| 20 | M | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.3 | -27.7 | -175.3 | -161.1 | 167.8 | 70.5 | 0 | 0 | 112.9 | V16 V17 G22 L23 I31 F34 | V16-M20 WeakPolarHBondContact O-CB 3.48Å; V16-M20 PolarHBondContact O-N 3.3Å; V17-M20 PolarHBondContact O-N 3.28Å; M20-G22 PolarHBondContact O-N 3.08Å; M20-L23 HydrophobicContact CG-CD1 3.95Å; M20-L23 PolarHBondContact O-N 2.82Å; M20-I31 VanDerWaalsContact CE-CA 3.49Å; M20-I31 HydrophobicContact CE-CB 4.17Å; M20-I31 HydrophobicContact CE-CG1 3.6Å; M20-F34 HydrophobicContact CE-CB 3.94Å; M20-F34 HydrophobicContact CE-CD1 4.3Å; M20-F34 HydrophobicContact CE-CD2 3.62Å; M20-F34 HydrophobicContact CE-CE2 4.15Å; M20-F34 HydrophobicContact CE-CG 3.7Å; M20-F34 HydrophobicContact SD-CD1 4.1Å; M20-F34 HydrophobicContact SD-CD2 4.03Å; M20-F34 HydrophobicContact SD-CE1 4.1Å; M20-F34 HydrophobicContact SD-CE2 4.02Å; M20-F34 HydrophobicContact SD-CG 4.06Å; M20-F34 HydrophobicContact SD-CZ 4.05Å |
| 21 | K | 92.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 41% | 0.409 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.5 | -32.9 | 170.7 | -72.8 | 168 | -164.4 | 167.5 | 0 | 113 | V17 D18 W19 Q28 I31 | V17-K21 WeakPolarHBondContact O-CG 3.31Å; V17-K21 PolarHBondContact O-N 3.19Å; V17-K21 VanDerWaalsContact O-N 3.09Å; D18-K21 IonicContact OD1-NZ 3.7Å; D18-K21 PolarHBondContact OD1-NZ 3.31Å; W19-K21 VanDerWaalsContact C-N 3.28Å; W19-K21 PolarHBondContact O-N 3.19Å; K21-Q28 PolarHBondContact O-NE2 3.39Å; K21-I31 HydrophobicContact CB-CD1 4.44Å; K21-I31 HydrophobicContact CG-CD1 3.61Å |
| 22 | G | 88.5 | Confident | 91.6 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | W19 M20 W273 Q274 N277 | W19-G22 PolarHBondContact O-N 3.07Å; W19-G22 VanDerWaalsContact O-N 3.07Å; M20-G22 PolarHBondContact O-N 3.08Å; G22-W273 VanDerWaalsContact O-CA 3.31Å; G22-W273 WeakPolarHBondContact O-CA 3.15Å; G22-W273 VanDerWaalsContact O-CB 3.32Å; G22-W273 WeakPolarHBondContact O-CB 3.41Å; G22-Q274 PolarHBondContact O-N 3.03Å; G22-N277 VanDerWaalsContact C-ND2 3.32Å; G22-N277 PolarHBondContact O-ND2 3.14Å |
| 23 | L | 89.7 | Confident | 91.6 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -73.6 | -122.7 | 178 | -55.4 | -176.9 | 0 | 0 | 0 | 111.8 | W19 M20 L27 A69 G272 Q274 N277 | W19-L23 HydrophobicContact CE3-CD1 4.49Å; W19-L23 HydrophobicContact CH2-CD1 3.81Å; W19-L23 HydrophobicContact CH2-CD2 4.36Å; W19-L23 HydrophobicContact CZ2-CD1 4.15Å; W19-L23 HydrophobicContact CZ2-CD2 3.84Å; W19-L23 HydrophobicContact CZ2-CG 4.49Å; W19-L23 HydrophobicContact CZ3-CD1 3.98Å; M20-L23 HydrophobicContact CG-CD1 3.95Å; M20-L23 PolarHBondContact O-N 2.82Å; L23-L27 HydrophobicContact CB-CD1 3.94Å; L23-L27 HydrophobicContact CD1-CD1 3.98Å; L23-A69 HydrophobicContact CD1-CB 4.28Å; L23-A69 HydrophobicContact CD2-CB 3.83Å; L23-G272 WeakPolarHBondContact CD2-O 3.3Å; L23-Q274 VanDerWaalsContact O-CG 3.25Å; L23-Q274 WeakPolarHBondContact O-CG 3.44Å; L23-N277 PolarHBondContact O-ND2 3.1Å; L23-N277 VanDerWaalsContact O-ND2 3.08Å |
| 24 | D | 89.6 | Confident | 91.6 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | trans | -95.7 | 154.7 | 176.5 | -160.5 | -61 | 0 | 0 | 0 | 111.8 | C26 L27 Q28 L65 Q274 | D24-C26 VanDerWaalsContact CG-SG 3.53Å; D24-C26 PolarHBondContact O-N 3.25Å; D24-C26 PolarHBondContact OD1-N 2.86Å; D24-C26 PolarHBondContact OD1-SG 2.84Å; D24-C26 VanDerWaalsContact OD1-SG 3.36Å; D24-L27 HydrophobicContact CB-CD1 4.26Å; D24-L27 HydrophobicContact CB-CG 4.15Å; D24-L27 PolarHBondContact O-N 3Å; D24-Q28 PolarHBondContact O-NE2 3.46Å; D24-L65 HydrophobicContact CB-CD1 4.5Å; D24-Q274 PolarHBondContact OD2-NE2 2.86Å | ||
| 25 | D | 89.3 | Confident | 91.6 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -65.3 | -29.9 | 173.3 | -58.5 | -23.2 | 0 | 0 | 0 | 111 | L27 Q28 K276 | D25-L27 PolarHBondContact O-N 3.17Å; D25-Q28 WeakPolarHBondContact O-CG 3.42Å; D25-Q28 PolarHBondContact O-N 3.34Å; D25-K276 WeakPolarHBondContact OD1-CE 3.44Å; D25-K276 IonicContact OD1-NZ 3.53Å; D25-K276 PolarHBondContact OD1-NZ 3.04Å; D25-K276 IonicContact OD2-NZ 2.78Å; D25-K276 PolarHBondContact OD2-NZ 3.39Å |
| 26 | C | 91.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -69.6 | -15.9 | 178.3 | 77.9 | 0 | 0 | 0 | 0 | 113.8 | D24 H62 | D24-C26 VanDerWaalsContact CG-SG 3.53Å; D24-C26 PolarHBondContact O-N 3.25Å; D24-C26 PolarHBondContact OD1-N 2.86Å; D24-C26 PolarHBondContact OD1-SG 2.84Å; D24-C26 VanDerWaalsContact OD1-SG 3.36Å; C26-H62 PolarHBondContact O-CE1 2.92Å |
| 27 | L | 91.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -93.8 | -17.3 | -179.8 | -59.9 | 179.6 | 0 | 0 | 0 | 113.3 | L23 D24 D25 Q29 Y30 H62 L65 I66 | L23-L27 HydrophobicContact CB-CD1 3.94Å; L23-L27 HydrophobicContact CD1-CD1 3.98Å; D24-L27 HydrophobicContact CB-CD1 4.26Å; D24-L27 HydrophobicContact CB-CG 4.15Å; D24-L27 PolarHBondContact O-N 3Å; D25-L27 PolarHBondContact O-N 3.17Å; L27-Q29 PolarHBondContact O-N 3.37Å; L27-Q29 VanDerWaalsContact O-N 3.08Å; L27-Y30 HydrophobicContact CD2-CD2 4.25Å; L27-Y30 HydrophobicContact CD2-CE2 4.17Å; L27-Y30 WeakPolarHBondContact O-CD2 3.08Å; L27-Y30 PolarHBondContact O-N 3.46Å; L27-H62 HydrophobicContact CD2-CB 3.71Å; L27-L65 HydrophobicContact CD1-CB 4.2Å; L27-I66 HydrophobicContact CD1-CG1 3.78Å; L27-I66 HydrophobicContact CD2-CD1 4.14Å; L27-I66 HydrophobicContact CD2-CG1 4.02Å; L27-I66 HydrophobicContact CG-CG1 4.48Å |
| 28 | Q | 91.6 | Very high | 91.4 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -57 | -31.4 | -175.9 | -54 | -62.8 | -52.6 | 0 | 0 | 112.7 | K21 D24 D25 Y30 I31 | K21-Q28 PolarHBondContact O-NE2 3.39Å; D24-Q28 PolarHBondContact O-NE2 3.46Å; D25-Q28 WeakPolarHBondContact O-CG 3.42Å; D25-Q28 PolarHBondContact O-N 3.34Å; Q28-Y30 PolarHBondContact O-N 3.06Å; Q28-I31 HydrophobicContact CB-CD1 4.23Å; Q28-I31 WeakPolarHBondContact O-CB 3.3Å; Q28-I31 WeakPolarHBondContact O-CG1 3.39Å; Q28-I31 PolarHBondContact O-N 2.85Å; Q28-I31 VanDerWaalsContact OE1-CD1 3.27Å |
| 29 | Q | 91.9 | Very high | 91.5 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -60.4 | -22.5 | 177.5 | 64.4 | -179.5 | 29.3 | 0 | 0 | 114 | L27 | L27-Q29 PolarHBondContact O-N 3.37Å; L27-Q29 VanDerWaalsContact O-N 3.08Å |
| 30 | Y | 92.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -92.3 | -8.6 | -179.7 | -53.8 | -64.5 | 0 | 0 | 0 | 114.3 | L27 Q28 K32 N33 F34 G56 V57 H62 | L27-Y30 HydrophobicContact CD2-CD2 4.25Å; L27-Y30 HydrophobicContact CD2-CE2 4.17Å; L27-Y30 WeakPolarHBondContact O-CD2 3.08Å; L27-Y30 PolarHBondContact O-N 3.46Å; Q28-Y30 PolarHBondContact O-N 3.06Å; Y30-K32 PolarHBondContact O-N 3.05Å; Y30-N33 WeakPolarHBondContact O-CA 3.25Å; Y30-N33 WeakPolarHBondContact O-CB 3.2Å; Y30-N33 PolarHBondContact O-N 3.49Å; Y30-F34 PolarHBondContact O-N 3.38Å; Y30-G56 VanDerWaalsContact CE1-O 3.29Å; Y30-G56 WeakPolarHBondContact CE1-O 3.44Å; Y30-V57 HydrophobicContact CD1-CG2 3.82Å; Y30-V57 HydrophobicContact CD2-CG1 4.3Å; Y30-V57 HydrophobicContact CD2-CG2 4.05Å; Y30-V57 HydrophobicContact CE1-CB 4.32Å; Y30-V57 HydrophobicContact CE1-CG1 4.44Å; Y30-V57 HydrophobicContact CE1-CG2 4.09Å; Y30-V57 HydrophobicContact CE2-CG1 3.86Å; Y30-V57 HydrophobicContact CE2-CG2 4.31Å; Y30-V57 HydrophobicContact CG-CG2 3.79Å; Y30-H62 HydrophobicContact CE2-CB 4.1Å; Y30-H62 AromaticContact CE2-ND1 3.31Å; Y30-H62 VanDerWaalsContact CE2-ND1 3.31Å; Y30-H62 WeakPolarHBondContact CE2-ND1 3.4Å; Y30-H62 AromaticContact CZ-ND1 3.55Å; Y30-H62 PolarHBondContact OH-ND1 3.41Å |
| 31 | I | 92.2 | Very high | 91.2 | Very high | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.1 | -42.8 | -177.6 | -70.1 | 169.4 | 0 | 0 | 0 | 111.4 | V17 M20 K21 Q28 N33 F34 E35 | V17-I31 HydrophobicContact CG1-CG2 3.69Å; V17-I31 HydrophobicContact CG2-CG2 4.29Å; M20-I31 VanDerWaalsContact CE-CA 3.49Å; M20-I31 HydrophobicContact CE-CB 4.17Å; M20-I31 HydrophobicContact CE-CG1 3.6Å; K21-I31 HydrophobicContact CB-CD1 4.44Å; K21-I31 HydrophobicContact CG-CD1 3.61Å; Q28-I31 HydrophobicContact CB-CD1 4.23Å; Q28-I31 WeakPolarHBondContact O-CB 3.3Å; Q28-I31 WeakPolarHBondContact O-CG1 3.39Å; Q28-I31 PolarHBondContact O-N 2.85Å; Q28-I31 VanDerWaalsContact OE1-CD1 3.27Å; I31-N33 PolarHBondContact O-N 3.32Å; I31-F34 PolarHBondContact O-N 3.34Å; I31-E35 VanDerWaalsContact O-CB 3.29Å; I31-E35 WeakPolarHBondContact O-CB 3.21Å; I31-E35 PolarHBondContact O-N 3.24Å |
| 32 | K | 90.9 | Very high | 91.1 | Very high | 160 Ų | 160 | 57.1 Ų | 57.1 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.5 | -20 | 178.1 | -62.1 | -175.8 | 179.2 | -177.3 | 0 | 114.1 | Y30 R36 | Y30-K32 PolarHBondContact O-N 3.05Å; K32-R36 WeakPolarHBondContact O-CB 3.44Å; K32-R36 PolarHBondContact O-N 2.97Å |
| 33 | N | 92.1 | Very high | 91.1 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -82.7 | -49 | 174.5 | -65.7 | -7.1 | 0 | 0 | 0 | 110.3 | Y30 I31 E35 R36 E37 L55 | Y30-N33 WeakPolarHBondContact O-CA 3.25Å; Y30-N33 WeakPolarHBondContact O-CB 3.2Å; Y30-N33 PolarHBondContact O-N 3.49Å; I31-N33 PolarHBondContact O-N 3.32Å; N33-E35 VanDerWaalsContact C-N 3.28Å; N33-E35 PolarHBondContact O-N 2.91Å; N33-R36 PolarHBondContact O-N 2.82Å; N33-R36 VanDerWaalsContact O-N 3.15Å; N33-R36 PolarHBondContact OD1-NH1 3.08Å; N33-E37 WeakPolarHBondContact O-CG 3.48Å; N33-E37 PolarHBondContact O-N 3.28Å; N33-L55 WeakPolarHBondContact CB-O 3.35Å; N33-L55 PolarHBondContact ND2-O 3.4Å |
| 34 | F | 92.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -36.5 | 176.3 | -80.3 | -112.5 | 0 | 0 | 0 | 112.4 | V16 M20 Y30 I31 K38 I39 L44 I47 L52 L55 V57 I66 | V16-F34 HydrophobicContact CG1-CD1 4.39Å; M20-F34 HydrophobicContact CE-CB 3.94Å; M20-F34 HydrophobicContact CE-CD1 4.3Å; M20-F34 HydrophobicContact CE-CD2 3.62Å; M20-F34 HydrophobicContact CE-CE2 4.15Å; M20-F34 HydrophobicContact CE-CG 3.7Å; M20-F34 HydrophobicContact SD-CD1 4.1Å; M20-F34 HydrophobicContact SD-CD2 4.03Å; M20-F34 HydrophobicContact SD-CE1 4.1Å; M20-F34 HydrophobicContact SD-CE2 4.02Å; M20-F34 HydrophobicContact SD-CG 4.06Å; M20-F34 HydrophobicContact SD-CZ 4.05Å; Y30-F34 PolarHBondContact O-N 3.38Å; I31-F34 PolarHBondContact O-N 3.34Å; F34-K38 WeakPolarHBondContact O-CA 3.15Å; F34-K38 PolarHBondContact O-N 2.86Å; F34-I39 HydrophobicContact CD1-CB 4.01Å; F34-I39 HydrophobicContact CD1-CG1 3.97Å; F34-I39 HydrophobicContact CD1-CG2 4.17Å; F34-I39 HydrophobicContact CE1-CG2 4.47Å; F34-I39 HydrophobicContact CG-CG1 4.36Å; F34-I39 PolarHBondContact O-N 2.68Å; F34-I39 VanDerWaalsContact O-N 3.14Å; F34-L44 HydrophobicContact CE1-CD1 4.27Å; F34-I47 HydrophobicContact CE1-CD1 3.91Å; F34-I47 HydrophobicContact CZ-CD1 4.03Å; F34-L52 HydrophobicContact CZ-CD2 3.86Å; F34-L55 HydrophobicContact CD2-CD1 4.48Å; F34-L55 HydrophobicContact CD2-CD2 4.44Å; F34-L55 HydrophobicContact CE1-CD1 4.14Å; F34-L55 HydrophobicContact CE2-CB 4.27Å; F34-L55 HydrophobicContact CE2-CD1 4.05Å; F34-L55 HydrophobicContact CZ-CD1 3.87Å; F34-V57 HydrophobicContact CE2-CG2 4.21Å; F34-I66 HydrophobicContact CZ-CD1 4.37Å |
| 35 | E | 92.6 | Very high | 91.2 | Very high | 114 Ų | 114 | 59.6 Ų | 59.6 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 173.6 | -172.9 | 173.5 | -150.3 | 0 | 0 | 112.4 | V17 I31 N33 K38 | V17-E35 HydrophobicContact CG2-CB 3.9Å; I31-E35 VanDerWaalsContact O-CB 3.29Å; I31-E35 WeakPolarHBondContact O-CB 3.21Å; I31-E35 PolarHBondContact O-N 3.24Å; N33-E35 VanDerWaalsContact C-N 3.28Å; N33-E35 PolarHBondContact O-N 2.91Å; E35-K38 WeakPolarHBondContact O-CG 3.15Å; E35-K38 PolarHBondContact O-N 2.81Å |
| 36 | R | 91.1 | Very high | 91.2 | Very high | 134 Ų | 134 | 61.4 Ų | 61.4 | 51% | 0.506 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.2 | -47.8 | 179.7 | -178 | -174.9 | 67.5 | -112.5 | -7.5 | 112.4 | K32 N33 K38 | K32-R36 WeakPolarHBondContact O-CB 3.44Å; K32-R36 PolarHBondContact O-N 2.97Å; N33-R36 PolarHBondContact O-N 2.82Å; N33-R36 VanDerWaalsContact O-N 3.15Å; N33-R36 PolarHBondContact OD1-NH1 3.08Å; R36-K38 PolarHBondContact O-N 3.1Å |
| 37 | E | 91 | Very high | 91.2 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -5 | 176.6 | -51 | -41.8 | 145.6 | 0 | 0 | 112.8 | N33 I39 L55 | N33-E37 WeakPolarHBondContact O-CG 3.48Å; N33-E37 PolarHBondContact O-N 3.28Å; E37-I39 HydrophobicContact CB-CD1 4.07Å; E37-I39 HydrophobicContact CB-CG1 4.33Å; E37-I39 PolarHBondContact O-N 3.23Å; E37-L55 HydrophobicContact CB-CD2 3.91Å; E37-L55 HydrophobicContact CG-CD2 3.55Å |
| 38 | K | 91.4 | Very high | 91.1 | Very high | 147 Ų | 147 | 63.4 Ų | 63.4 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 46.3 | 176.1 | -62.1 | 177 | -177.1 | 175 | 0 | 113.2 | P13 F34 E35 R36 S40 | P13-K38 HydrophobicContact CB-CB 4.25Å; P13-K38 HydrophobicContact CG-CB 3.98Å; P13-K38 VanDerWaalsContact CG-O 3.29Å; P13-K38 WeakPolarHBondContact CG-O 3.15Å; F34-K38 WeakPolarHBondContact O-CA 3.15Å; F34-K38 PolarHBondContact O-N 2.86Å; E35-K38 WeakPolarHBondContact O-CG 3.15Å; E35-K38 PolarHBondContact O-N 2.81Å; R36-K38 PolarHBondContact O-N 3.1Å; K38-S40 PolarHBondContact O-N 3.23Å; K38-S40 VanDerWaalsContact O-N 3.14Å |
| 39 | I | 91.9 | Very high | 91 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | trans | -58.8 | 116.9 | -179.1 | -58.7 | -57.2 | 0 | 0 | 0 | 110.3 | P13 F34 E37 Q43 L44 L55 | P13-I39 WeakPolarHBondContact CA-O 3Å; F34-I39 HydrophobicContact CD1-CB 4.01Å; F34-I39 HydrophobicContact CD1-CG1 3.97Å; F34-I39 HydrophobicContact CD1-CG2 4.17Å; F34-I39 HydrophobicContact CE1-CG2 4.47Å; F34-I39 HydrophobicContact CG-CG1 4.36Å; F34-I39 PolarHBondContact O-N 2.68Å; F34-I39 VanDerWaalsContact O-N 3.14Å; E37-I39 HydrophobicContact CB-CD1 4.07Å; E37-I39 HydrophobicContact CB-CG1 4.33Å; E37-I39 PolarHBondContact O-N 3.23Å; I39-Q43 HydrophobicContact CG2-CB 4.1Å; I39-L44 HydrophobicContact CG2-CB 4.34Å; I39-L55 HydrophobicContact CD1-CD1 4.11Å; I39-L55 HydrophobicContact CD1-CD2 4.14Å; I39-L55 HydrophobicContact CG1-CD1 4.09Å; I39-L55 HydrophobicContact CG1-CD2 4.04Å | ||
| 40 | S | 92.1 | Very high | 90.9 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | trans | -83.3 | 162.1 | 177.1 | 73.6 | 0 | 0 | 0 | 0 | 111.7 | K38 D42 Q43 L44 | K38-S40 PolarHBondContact O-N 3.23Å; K38-S40 VanDerWaalsContact O-N 3.14Å; S40-D42 PolarHBondContact O-N 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.39Å; S40-Q43 PolarHBondContact O-N 3.01Å; S40-Q43 VanDerWaalsContact O-N 3.08Å; S40-Q43 PolarHBondContact OG-N 3.35Å; S40-L44 PolarHBondContact O-N 3.24Å | ||
| 41 | G | 89.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -30 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V8 W11 L44 L45 | V8-G41 CarbonylContact O-C 3.56Å; V8-G41 VanDerWaalsContact O-CA 3.27Å; V8-G41 WeakPolarHBondContact O-CA 3.48Å; W11-G41 PolarHBondContact O-N 3.35Å; G41-L44 PolarHBondContact O-N 3.3Å; G41-L45 VanDerWaalsContact O-CG 3.26Å; G41-L45 WeakPolarHBondContact O-CG 3.2Å; G41-L45 PolarHBondContact O-N 3.11Å; G41-L45 VanDerWaalsContact O-N 3.08Å |
| 42 | D | 89 | Confident | 90.8 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.6 | -31.9 | 174.4 | -175.8 | 63 | 0 | 0 | 0 | 113.2 | S40 R46 | S40-D42 PolarHBondContact O-N 3.26Å; D42-R46 VanDerWaalsContact O-CZ 3.23Å; D42-R46 PolarHBondContact O-NH1 3.4Å; D42-R46 PolarHBondContact O-NH2 2.8Å; D42-R46 IonicContact OD1-CZ 2.7Å; D42-R46 IonicContact OD1-NH1 2.93Å; D42-R46 PolarHBondContact OD1-NH1 2.66Å; D42-R46 IonicContact OD2-CZ 2.73Å; D42-R46 VanDerWaalsContact OD2-CZ 3.25Å; D42-R46 IonicContact OD2-NH1 3.54Å; D42-R46 PolarHBondContact OD2-NH1 2.75Å; D42-R46 IonicContact OD2-NH2 3.14Å; D42-R46 PolarHBondContact OD2-NH2 2.82Å |
| 43 | Q | 89.7 | Confident | 90.8 | Very high | 91 Ų | 91 | 64.2 Ų | 64.2 | 43% | 0.425 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.6 | -44.2 | 171.9 | -70.2 | 166.6 | -24.2 | 0 | 0 | 110.7 | I39 S40 L45 R46 I47 | I39-Q43 HydrophobicContact CG2-CB 4.1Å; S40-Q43 WeakPolarHBondContact O-CB 3.39Å; S40-Q43 PolarHBondContact O-N 3.01Å; S40-Q43 VanDerWaalsContact O-N 3.08Å; S40-Q43 PolarHBondContact OG-N 3.35Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 2.94Å; Q43-R46 PolarHBondContact O-N 3.32Å; Q43-I47 PolarHBondContact O-N 3.2Å; Q43-I47 VanDerWaalsContact O-N 3.16Å |
| 44 | L | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55 | -44 | 177.2 | -177.5 | 70.9 | 0 | 0 | 0 | 112.1 | V16 W19 F34 I39 S40 G41 R46 I47 V70 L73 | V16-L44 HydrophobicContact CG1-CD1 4.48Å; V16-L44 HydrophobicContact CG1-CD2 4.13Å; V16-L44 HydrophobicContact CG2-CD2 4.18Å; W19-L44 HydrophobicContact CE3-CD2 3.95Å; W19-L44 HydrophobicContact CH2-CD2 4.36Å; W19-L44 HydrophobicContact CZ3-CD1 4.04Å; W19-L44 HydrophobicContact CZ3-CD2 3.76Å; W19-L44 HydrophobicContact CZ3-CG 4.46Å; F34-L44 HydrophobicContact CE1-CD1 4.27Å; I39-L44 HydrophobicContact CG2-CB 4.34Å; S40-L44 PolarHBondContact O-N 3.24Å; G41-L44 PolarHBondContact O-N 3.3Å; L44-R46 PolarHBondContact O-N 2.93Å; L44-R46 VanDerWaalsContact O-N 3.13Å; L44-I47 WeakPolarHBondContact O-CB 3.27Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.3Å; L44-I47 PolarHBondContact O-N 3.35Å; L44-V70 HydrophobicContact CD1-CG2 3.78Å; L44-V70 HydrophobicContact CG-CG2 3.96Å; L44-V70 WeakPolarHBondContact O-CG1 3.42Å; L44-L73 HydrophobicContact CD2-CD1 3.85Å |
| 45 | L | 89.3 | Confident | 90.6 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8.4 | 178.2 | -72.4 | 170.7 | 0 | 0 | 0 | 114.8 | V8 G41 Q43 L73 C74 N77 | V8-L45 HydrophobicContact CB-CD1 4.01Å; V8-L45 HydrophobicContact CB-CD2 4.23Å; V8-L45 HydrophobicContact CB-CG 4.36Å; V8-L45 HydrophobicContact CG1-CD1 4.01Å; V8-L45 HydrophobicContact CG1-CD2 3.85Å; V8-L45 HydrophobicContact CG1-CG 3.86Å; G41-L45 VanDerWaalsContact O-CG 3.26Å; G41-L45 WeakPolarHBondContact O-CG 3.2Å; G41-L45 PolarHBondContact O-N 3.11Å; G41-L45 VanDerWaalsContact O-N 3.08Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 2.94Å; L45-L73 HydrophobicContact CD2-CB 4.22Å; L45-C74 HydrophobicContact CD2-CB 4.43Å; L45-C74 WeakPolarHBondContact CD2-SG 3.48Å; L45-N77 HydrophobicContact CD1-CB 4.47Å; L45-N77 HydrophobicContact CD2-CB 4.36Å |
| 46 | R | 88.3 | Confident | 90.3 | Very high | 139 Ų | 139 | 64.7 Ų | 64.7 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 4.3 | 177.1 | -67.3 | -167.7 | -62 | -85.2 | -2.2 | 113.6 | D42 Q43 L44 T48 | D42-R46 VanDerWaalsContact O-CZ 3.23Å; D42-R46 PolarHBondContact O-NH1 3.4Å; D42-R46 PolarHBondContact O-NH2 2.8Å; D42-R46 IonicContact OD1-CZ 2.7Å; D42-R46 IonicContact OD1-NH1 2.93Å; D42-R46 PolarHBondContact OD1-NH1 2.66Å; D42-R46 IonicContact OD2-CZ 2.73Å; D42-R46 VanDerWaalsContact OD2-CZ 3.25Å; D42-R46 IonicContact OD2-NH1 3.54Å; D42-R46 PolarHBondContact OD2-NH1 2.75Å; D42-R46 IonicContact OD2-NH2 3.14Å; D42-R46 PolarHBondContact OD2-NH2 2.82Å; Q43-R46 PolarHBondContact O-N 3.32Å; L44-R46 PolarHBondContact O-N 2.93Å; L44-R46 VanDerWaalsContact O-N 3.13Å; R46-T48 PolarHBondContact O-N 2.84Å |
| 47 | I | 91.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | trans | -62.5 | 130.5 | -168.8 | -156.5 | 171.9 | 0 | 0 | 0 | 111.7 | F34 Q43 L44 E51 L52 L55 L67 V70 | F34-I47 HydrophobicContact CE1-CD1 3.91Å; F34-I47 HydrophobicContact CZ-CD1 4.03Å; Q43-I47 PolarHBondContact O-N 3.2Å; Q43-I47 VanDerWaalsContact O-N 3.16Å; L44-I47 WeakPolarHBondContact O-CB 3.27Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.3Å; L44-I47 PolarHBondContact O-N 3.35Å; I47-E51 HydrophobicContact CG1-CB 4.09Å; I47-L52 HydrophobicContact CD1-CD2 3.61Å; I47-L52 HydrophobicContact CD1-CG 4.01Å; I47-L52 HydrophobicContact CG1-CD2 4.25Å; I47-L52 HydrophobicContact CG1-CG 4.08Å; I47-L55 HydrophobicContact CD1-CD1 3.81Å; I47-L67 HydrophobicContact CG2-CD2 4.05Å; I47-L67 WeakPolarHBondContact O-CD2 3.33Å; I47-V70 HydrophobicContact CG2-CG1 4.4Å; I47-V70 HydrophobicContact CG2-CG2 4.19Å | ||
| 48 | T | 90.1 | Very high | 90.3 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | trans | -102.6 | 165.2 | -178.3 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | R46 Q50 E51 L52 | R46-T48 PolarHBondContact O-N 2.84Å; T48-Q50 PolarHBondContact O-N 2.82Å; T48-E51 WeakPolarHBondContact CB-OE2 3.41Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.33Å; T48-E51 PolarHBondContact N-OE2 3.28Å; T48-E51 PolarHBondContact O-N 3.1Å; T48-E51 WeakPolarHBondContact OG1-CG 3.4Å; T48-E51 PolarHBondContact OG1-N 3.25Å; T48-E51 PolarHBondContact OG1-OE2 3Å; T48-L52 WeakPolarHBondContact O-CB 3.38Å; T48-L52 WeakPolarHBondContact O-CG 3.23Å; T48-L52 PolarHBondContact O-N 2.82Å | ||
| 49 | H | 90.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 43% | 0.431 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.9 | -34.3 | 170.8 | -68 | 87.6 | 0 | 0 | 0 | 113.2 | E53 Q63 E64 L67 | H49-E53 PolarHBondContact O-N 2.96Å; H49-E53 VanDerWaalsContact O-N 3.11Å; H49-Q63 PolarHBondContact O-NE2 2.85Å; H49-E64 IonicContact CD2-OE1 3.69Å; H49-E64 IonicContact CE1-OE1 2.74Å; H49-E64 IonicContact NE2-OE1 3.65Å; H49-E64 PolarHBondContact NE2-OE1 3.3Å; H49-L67 WeakPolarHBondContact CE1-CD1 3.32Å; H49-L67 WeakPolarHBondContact NE2-CD1 3.39Å |
| 50 | Q | 89.4 | Confident | 90.2 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72 | -49.8 | 178.4 | -172.6 | 62.7 | 65.3 | 0 | 0 | 111.5 | T48 L52 E53 D54 | T48-Q50 PolarHBondContact O-N 2.82Å; Q50-L52 PolarHBondContact O-N 3.29Å; Q50-E53 WeakPolarHBondContact O-CA 3.42Å; Q50-E53 WeakPolarHBondContact O-CB 3.49Å; Q50-E53 PolarHBondContact O-N 3.47Å; Q50-D54 PolarHBondContact NE2-OD1 3.2Å; Q50-D54 PolarHBondContact O-N 3.03Å |
| 51 | E | 90.4 | Very high | 90 | Very high | 89 Ų | 89 | 62.3 Ų | 62.3 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -31 | 178.6 | -68.2 | 157.6 | 131.1 | 0 | 0 | 111.5 | I47 T48 L55 | I47-E51 HydrophobicContact CG1-CB 4.09Å; T48-E51 WeakPolarHBondContact CB-OE2 3.41Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.33Å; T48-E51 PolarHBondContact N-OE2 3.28Å; T48-E51 PolarHBondContact O-N 3.1Å; T48-E51 WeakPolarHBondContact OG1-CG 3.4Å; T48-E51 PolarHBondContact OG1-N 3.25Å; T48-E51 PolarHBondContact OG1-OE2 3Å; E51-L55 VanDerWaalsContact O-CB 3.32Å; E51-L55 WeakPolarHBondContact O-CB 3.26Å; E51-L55 WeakPolarHBondContact O-CD1 3.38Å; E51-L55 VanDerWaalsContact O-CG 3.27Å; E51-L55 WeakPolarHBondContact O-CG 3.29Å; E51-L55 PolarHBondContact O-N 3.41Å |
| 52 | L | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 169.9 | -76.3 | 172.3 | 0 | 0 | 0 | 112.8 | F34 I47 T48 Q50 L55 G56 V57 Q63 I66 L67 | F34-L52 HydrophobicContact CZ-CD2 3.86Å; I47-L52 HydrophobicContact CD1-CD2 3.61Å; I47-L52 HydrophobicContact CD1-CG 4.01Å; I47-L52 HydrophobicContact CG1-CD2 4.25Å; I47-L52 HydrophobicContact CG1-CG 4.08Å; T48-L52 WeakPolarHBondContact O-CB 3.38Å; T48-L52 WeakPolarHBondContact O-CG 3.23Å; T48-L52 PolarHBondContact O-N 2.82Å; Q50-L52 PolarHBondContact O-N 3.29Å; L52-L55 CarbonylContact O-C 3.49Å; L52-L55 PolarHBondContact O-N 3.06Å; L52-G56 PolarHBondContact O-N 2.9Å; L52-V57 HydrophobicContact CB-CB 4.28Å; L52-V57 HydrophobicContact CD2-CG2 4.27Å; L52-V57 VanDerWaalsContact O-CA 3.31Å; L52-V57 WeakPolarHBondContact O-CA 3.19Å; L52-V57 WeakPolarHBondContact O-CB 3.38Å; L52-V57 WeakPolarHBondContact O-CG2 3.48Å; L52-V57 PolarHBondContact O-N 2.69Å; L52-Q63 HydrophobicContact CB-CG 4.2Å; L52-Q63 HydrophobicContact CD1-CB 4.11Å; L52-Q63 HydrophobicContact CD1-CG 4.42Å; L52-I66 HydrophobicContact CD2-CB 4.42Å; L52-I66 HydrophobicContact CD2-CD1 3.92Å; L52-I66 HydrophobicContact CD2-CG2 4.02Å; L52-L67 HydrophobicContact CD1-CD1 3.98Å; L52-L67 HydrophobicContact CD1-CD2 3.8Å; L52-L67 HydrophobicContact CD1-CG 3.67Å |
| 53 | E | 90.9 | Very high | 90.3 | Very high | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 174.3 | -174.9 | 163.2 | -138.3 | 0 | 0 | 111.7 | H49 Q50 L55 G56 | H49-E53 PolarHBondContact O-N 2.96Å; H49-E53 VanDerWaalsContact O-N 3.11Å; Q50-E53 WeakPolarHBondContact O-CA 3.42Å; Q50-E53 WeakPolarHBondContact O-CB 3.49Å; Q50-E53 PolarHBondContact O-N 3.47Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.97Å; E53-G56 VanDerWaalsContact O-CA 3.31Å; E53-G56 WeakPolarHBondContact O-CA 3.21Å; E53-G56 PolarHBondContact O-N 3.17Å |
| 54 | D | 89.6 | Confident | 90.4 | Very high | 114 Ų | 114 | 61.1 Ų | 61.1 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.5 | -34.5 | 176 | -58.5 | -12.6 | 0 | 0 | 0 | 111.5 | Q50 G56 | Q50-D54 PolarHBondContact NE2-OD1 3.2Å; Q50-D54 PolarHBondContact O-N 3.03Å; D54-G56 PolarHBondContact O-N 2.82Å |
| 55 | L | 89.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 4.1 | 168.8 | -77.6 | 162.7 | 0 | 0 | 0 | 114 | N33 F34 E37 I39 I47 E51 L52 E53 | N33-L55 WeakPolarHBondContact CB-O 3.35Å; N33-L55 PolarHBondContact ND2-O 3.4Å; F34-L55 HydrophobicContact CD2-CD1 4.48Å; F34-L55 HydrophobicContact CD2-CD2 4.44Å; F34-L55 HydrophobicContact CE1-CD1 4.14Å; F34-L55 HydrophobicContact CE2-CB 4.27Å; F34-L55 HydrophobicContact CE2-CD1 4.05Å; F34-L55 HydrophobicContact CZ-CD1 3.87Å; E37-L55 HydrophobicContact CB-CD2 3.91Å; E37-L55 HydrophobicContact CG-CD2 3.55Å; I39-L55 HydrophobicContact CD1-CD1 4.11Å; I39-L55 HydrophobicContact CD1-CD2 4.14Å; I39-L55 HydrophobicContact CG1-CD1 4.09Å; I39-L55 HydrophobicContact CG1-CD2 4.04Å; I47-L55 HydrophobicContact CD1-CD1 3.81Å; E51-L55 VanDerWaalsContact O-CB 3.32Å; E51-L55 WeakPolarHBondContact O-CB 3.26Å; E51-L55 WeakPolarHBondContact O-CD1 3.38Å; E51-L55 VanDerWaalsContact O-CG 3.27Å; E51-L55 WeakPolarHBondContact O-CG 3.29Å; E51-L55 PolarHBondContact O-N 3.41Å; L52-L55 CarbonylContact O-C 3.49Å; L52-L55 PolarHBondContact O-N 3.06Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.97Å |
| 56 | G | 87.4 | Confident | 90.4 | Very high | 34 Ų | 34 | 63 Ų | 63 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 6.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y30 L52 E53 D54 S58 | Y30-G56 VanDerWaalsContact CE1-O 3.29Å; Y30-G56 WeakPolarHBondContact CE1-O 3.44Å; L52-G56 PolarHBondContact O-N 2.9Å; E53-G56 VanDerWaalsContact O-CA 3.31Å; E53-G56 WeakPolarHBondContact O-CA 3.21Å; E53-G56 PolarHBondContact O-N 3.17Å; D54-G56 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact C-N 3.25Å; G56-S58 PolarHBondContact O-N 3.18Å; G56-S58 VanDerWaalsContact O-N 3.12Å |
| 57 | V | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -85.9 | 60.7 | 176.2 | -162.8 | 0 | 0 | 0 | 0 | 109.9 | Y30 F34 L52 R59 H62 Q63 I66 | Y30-V57 HydrophobicContact CD1-CG2 3.82Å; Y30-V57 HydrophobicContact CD2-CG1 4.3Å; Y30-V57 HydrophobicContact CD2-CG2 4.05Å; Y30-V57 HydrophobicContact CE1-CB 4.32Å; Y30-V57 HydrophobicContact CE1-CG1 4.44Å; Y30-V57 HydrophobicContact CE1-CG2 4.09Å; Y30-V57 HydrophobicContact CE2-CG1 3.86Å; Y30-V57 HydrophobicContact CE2-CG2 4.31Å; Y30-V57 HydrophobicContact CG-CG2 3.79Å; F34-V57 HydrophobicContact CE2-CG2 4.21Å; L52-V57 HydrophobicContact CB-CB 4.28Å; L52-V57 HydrophobicContact CD2-CG2 4.27Å; L52-V57 VanDerWaalsContact O-CA 3.31Å; L52-V57 WeakPolarHBondContact O-CA 3.19Å; L52-V57 WeakPolarHBondContact O-CB 3.38Å; L52-V57 WeakPolarHBondContact O-CG2 3.48Å; L52-V57 PolarHBondContact O-N 2.69Å; V57-R59 PolarHBondContact O-N 2.86Å; V57-H62 HydrophobicContact CG1-CB 3.76Å; V57-Q63 HydrophobicContact CB-CG 4.44Å; V57-Q63 HydrophobicContact CG1-CG 4.02Å; V57-Q63 WeakPolarHBondContact O-CG 3.31Å; V57-Q63 PolarHBondContact O-NE2 2.79Å; V57-I66 HydrophobicContact CG1-CD1 4.12Å; V57-I66 HydrophobicContact CG2-CD1 4.19Å | ||
| 58 | S | 88.9 | Confident | 90.5 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 54% | 0.538 | 32% | 0.324 | S | S | . | . | trans | -74.9 | -4.9 | -179.7 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | G56 I60 | G56-S58 VanDerWaalsContact C-N 3.25Å; G56-S58 PolarHBondContact O-N 3.18Å; G56-S58 VanDerWaalsContact O-N 3.12Å; S58-I60 PolarHBondContact O-N 2.71Å | ||
| 59 | R | 91.6 | Very high | 90.6 | Very high | 142 Ų | 142 | 58.3 Ų | 58.3 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | trans | -86.2 | 109.4 | 176.3 | -70.9 | -178 | -178.2 | 179.7 | 5.5 | 109.7 | V57 G61 H62 Q63 | V57-R59 PolarHBondContact O-N 2.86Å; R59-G61 VanDerWaalsContact C-N 3.29Å; R59-G61 PolarHBondContact O-N 3.16Å; R59-G61 VanDerWaalsContact O-N 3.17Å; R59-H62 HydrophobicContact CB-CB 4.01Å; R59-H62 PolarHBondContact NH1-CE1 2.81Å; R59-H62 VanDerWaalsContact NH1-CE1 3.33Å; R59-H62 WeakPolarHBondContact O-CA 3.3Å; R59-H62 WeakPolarHBondContact O-CB 3.48Å; R59-H62 PolarHBondContact O-N 2.92Å; R59-Q63 PolarHBondContact O-N 3.04Å | ||
| 60 | I | 89.6 | Confident | 90.6 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 62% | 0.621 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -45.4 | -50.4 | 177.8 | -57.4 | 171.1 | 0 | 0 | 0 | 112.1 | S58 H62 Q63 E64 | S58-I60 PolarHBondContact O-N 2.71Å; I60-H62 PolarHBondContact O-N 3Å; I60-H62 VanDerWaalsContact O-N 3.13Å; I60-Q63 WeakPolarHBondContact O-CB 3.33Å; I60-Q63 PolarHBondContact O-N 2.87Å; I60-E64 HydrophobicContact CG2-CG 4.17Å; I60-E64 WeakPolarHBondContact O-CG 3.24Å; I60-E64 PolarHBondContact O-N 3.12Å |
| 61 | G | 88.9 | Confident | 90.5 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -16.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R59 L65 | R59-G61 VanDerWaalsContact C-N 3.29Å; R59-G61 PolarHBondContact O-N 3.16Å; R59-G61 VanDerWaalsContact O-N 3.17Å; G61-L65 WeakPolarHBondContact O-CD1 3.24Å; G61-L65 WeakPolarHBondContact O-CG 3.4Å |
| 62 | H | 93.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -89.2 | -34.7 | 170 | -65.3 | -166 | 0 | 0 | 0 | 111.2 | C26 L27 Y30 V57 R59 I60 L65 I66 | C26-H62 PolarHBondContact O-CE1 2.92Å; L27-H62 HydrophobicContact CD2-CB 3.71Å; Y30-H62 HydrophobicContact CE2-CB 4.1Å; Y30-H62 AromaticContact CE2-ND1 3.31Å; Y30-H62 VanDerWaalsContact CE2-ND1 3.31Å; Y30-H62 WeakPolarHBondContact CE2-ND1 3.4Å; Y30-H62 AromaticContact CZ-ND1 3.55Å; Y30-H62 PolarHBondContact OH-ND1 3.41Å; V57-H62 HydrophobicContact CG1-CB 3.76Å; R59-H62 HydrophobicContact CB-CB 4.01Å; R59-H62 PolarHBondContact NH1-CE1 2.81Å; R59-H62 VanDerWaalsContact NH1-CE1 3.33Å; R59-H62 WeakPolarHBondContact O-CA 3.3Å; R59-H62 WeakPolarHBondContact O-CB 3.48Å; R59-H62 PolarHBondContact O-N 2.92Å; I60-H62 PolarHBondContact O-N 3Å; I60-H62 VanDerWaalsContact O-N 3.13Å; H62-L65 PolarHBondContact O-N 3.41Å; H62-I66 WeakPolarHBondContact O-CG1 3.5Å; H62-I66 PolarHBondContact O-N 2.8Å |
| 63 | Q | 91.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -51.9 | 172.6 | -62.6 | 175.4 | -23.1 | 0 | 0 | 110.7 | H49 L52 V57 R59 I60 L65 I66 L67 | H49-Q63 PolarHBondContact O-NE2 2.85Å; L52-Q63 HydrophobicContact CB-CG 4.2Å; L52-Q63 HydrophobicContact CD1-CB 4.11Å; L52-Q63 HydrophobicContact CD1-CG 4.42Å; V57-Q63 HydrophobicContact CB-CG 4.44Å; V57-Q63 HydrophobicContact CG1-CG 4.02Å; V57-Q63 WeakPolarHBondContact O-CG 3.31Å; V57-Q63 PolarHBondContact O-NE2 2.79Å; R59-Q63 PolarHBondContact O-N 3.04Å; I60-Q63 WeakPolarHBondContact O-CB 3.33Å; I60-Q63 PolarHBondContact O-N 2.87Å; Q63-L65 VanDerWaalsContact C-N 3.3Å; Q63-L65 PolarHBondContact O-N 2.93Å; Q63-I66 PolarHBondContact O-N 3.41Å; Q63-I66 VanDerWaalsContact O-N 3.08Å; Q63-L67 WeakPolarHBondContact O-CG 3.37Å; Q63-L67 PolarHBondContact O-N 3.22Å |
| 64 | E | 90.4 | Very high | 89.8 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | -179.2 | -61.3 | -72 | 103.7 | 0 | 0 | 111.8 | H49 I60 I66 L67 E68 | H49-E64 IonicContact CD2-OE1 3.69Å; H49-E64 IonicContact CE1-OE1 2.74Å; H49-E64 IonicContact NE2-OE1 3.65Å; H49-E64 PolarHBondContact NE2-OE1 3.3Å; I60-E64 HydrophobicContact CG2-CG 4.17Å; I60-E64 WeakPolarHBondContact O-CG 3.24Å; I60-E64 PolarHBondContact O-N 3.12Å; E64-I66 PolarHBondContact O-N 2.98Å; E64-L67 PolarHBondContact O-N 2.82Å; E64-E68 WeakPolarHBondContact O-CB 3.41Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.29Å |
| 65 | L | 91.3 | Very high | 89.4 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 175.8 | -75.5 | 172.9 | 0 | 0 | 0 | 113.3 | D24 L27 G61 H62 Q63 A69 | D24-L65 HydrophobicContact CB-CD1 4.5Å; L27-L65 HydrophobicContact CD1-CB 4.2Å; G61-L65 WeakPolarHBondContact O-CD1 3.24Å; G61-L65 WeakPolarHBondContact O-CG 3.4Å; H62-L65 PolarHBondContact O-N 3.41Å; Q63-L65 VanDerWaalsContact C-N 3.3Å; Q63-L65 PolarHBondContact O-N 2.93Å; L65-A69 WeakPolarHBondContact O-CB 3.25Å; L65-A69 PolarHBondContact O-N 2.93Å |
| 66 | I | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.5 | -43.8 | 173.7 | -65.2 | 170.4 | 0 | 0 | 0 | 109.6 | L27 F34 L52 V57 H62 Q63 E64 A69 V70 | L27-I66 HydrophobicContact CD1-CG1 3.78Å; L27-I66 HydrophobicContact CD2-CD1 4.14Å; L27-I66 HydrophobicContact CD2-CG1 4.02Å; L27-I66 HydrophobicContact CG-CG1 4.48Å; F34-I66 HydrophobicContact CZ-CD1 4.37Å; L52-I66 HydrophobicContact CD2-CB 4.42Å; L52-I66 HydrophobicContact CD2-CD1 3.92Å; L52-I66 HydrophobicContact CD2-CG2 4.02Å; V57-I66 HydrophobicContact CG1-CD1 4.12Å; V57-I66 HydrophobicContact CG2-CD1 4.19Å; H62-I66 WeakPolarHBondContact O-CG1 3.5Å; H62-I66 PolarHBondContact O-N 2.8Å; Q63-I66 PolarHBondContact O-N 3.41Å; Q63-I66 VanDerWaalsContact O-N 3.08Å; E64-I66 PolarHBondContact O-N 2.98Å; I66-A69 PolarHBondContact O-N 2.91Å; I66-V70 HydrophobicContact CG2-CG2 4.17Å; I66-V70 WeakPolarHBondContact O-CG2 3.34Å; I66-V70 PolarHBondContact O-N 3.29Å |
| 67 | L | 91.3 | Very high | 88.5 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.9 | -40.6 | -177.6 | -67.5 | 170.7 | 0 | 0 | 0 | 112.7 | I47 H49 L52 Q63 E64 A69 V70 D71 | I47-L67 HydrophobicContact CG2-CD2 4.05Å; I47-L67 WeakPolarHBondContact O-CD2 3.33Å; H49-L67 WeakPolarHBondContact CE1-CD1 3.32Å; H49-L67 WeakPolarHBondContact NE2-CD1 3.39Å; L52-L67 HydrophobicContact CD1-CD1 3.98Å; L52-L67 HydrophobicContact CD1-CD2 3.8Å; L52-L67 HydrophobicContact CD1-CG 3.67Å; Q63-L67 WeakPolarHBondContact O-CG 3.37Å; Q63-L67 PolarHBondContact O-N 3.22Å; E64-L67 PolarHBondContact O-N 2.82Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 2.85Å; L67-V70 PolarHBondContact O-N 2.72Å; L67-D71 WeakPolarHBondContact O-CB 3.43Å; L67-D71 PolarHBondContact O-N 2.95Å |
| 68 | E | 89.9 | Confident | 87.6 | Confident | 86 Ų | 86 | 52 Ų | 52 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 171.7 | -76.2 | -172.7 | 162.8 | 0 | 0 | 111.4 | E64 L72 | E64-E68 WeakPolarHBondContact O-CB 3.41Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.29Å; E68-L72 PolarHBondContact O-N 3.05Å |
| 69 | A | 90.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W19 L23 L65 I66 L67 L72 L73 | W19-A69 HydrophobicContact CH2-CB 3.99Å; W19-A69 HydrophobicContact CZ2-CB 3.71Å; L23-A69 HydrophobicContact CD1-CB 4.28Å; L23-A69 HydrophobicContact CD2-CB 3.83Å; L65-A69 WeakPolarHBondContact O-CB 3.25Å; L65-A69 PolarHBondContact O-N 2.93Å; I66-A69 PolarHBondContact O-N 2.91Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 2.85Å; A69-L72 PolarHBondContact O-N 3.11Å; A69-L73 PolarHBondContact O-N 2.9Å; A69-L73 VanDerWaalsContact O-N 3.12Å |
| 70 | V | 91.1 | Very high | 85 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -38.4 | 172.9 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | W19 L44 I47 I66 L67 L72 L73 C74 | W19-V70 HydrophobicContact CH2-CG2 3.99Å; L44-V70 HydrophobicContact CD1-CG2 3.78Å; L44-V70 HydrophobicContact CG-CG2 3.96Å; L44-V70 WeakPolarHBondContact O-CG1 3.42Å; I47-V70 HydrophobicContact CG2-CG1 4.4Å; I47-V70 HydrophobicContact CG2-CG2 4.19Å; I66-V70 HydrophobicContact CG2-CG2 4.17Å; I66-V70 WeakPolarHBondContact O-CG2 3.34Å; I66-V70 PolarHBondContact O-N 3.29Å; L67-V70 PolarHBondContact O-N 2.72Å; V70-L72 VanDerWaalsContact C-N 3.27Å; V70-L72 PolarHBondContact O-N 2.75Å; V70-L73 CarbonylContact O-C 3.59Å; V70-L73 WeakPolarHBondContact O-CA 3.29Å; V70-L73 WeakPolarHBondContact O-CB 3.5Å; V70-L73 PolarHBondContact O-N 3.19Å; V70-C74 PolarHBondContact O-N 3.35Å; V70-C74 PolarHBondContact O-SG 3.15Å; V70-C74 VanDerWaalsContact O-SG 3.39Å |
| 71 | D | 87.1 | Confident | 83.2 | Confident | 117 Ų | 117 | 45.3 Ų | 45.3 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.5 | -39.8 | 174.1 | -104.8 | -4.2 | 0 | 0 | 0 | 111.4 | L67 C74 A75 | L67-D71 WeakPolarHBondContact O-CB 3.43Å; L67-D71 PolarHBondContact O-N 2.95Å; D71-C74 PolarHBondContact O-N 3.14Å; D71-A75 WeakPolarHBondContact O-CB 3.36Å; D71-A75 PolarHBondContact O-N 2.96Å |
| 72 | L | 86.6 | Confident | 81.6 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.7 | -36.2 | 173 | -65.5 | -169.9 | 0 | 0 | 0 | 112.9 | E68 A69 V70 A75 L76 D236 L238 V271 | E68-L72 PolarHBondContact O-N 3.05Å; A69-L72 PolarHBondContact O-N 3.11Å; V70-L72 VanDerWaalsContact C-N 3.27Å; V70-L72 PolarHBondContact O-N 2.75Å; L72-A75 PolarHBondContact O-N 2.76Å; L72-L76 WeakPolarHBondContact O-CB 3.15Å; L72-L76 PolarHBondContact O-N 3.18Å; L72-D236 HydrophobicContact CD1-CB 4.44Å; L72-D236 WeakPolarHBondContact CD1-O 3.38Å; L72-L238 HydrophobicContact CD1-CB 4.24Å; L72-V271 HydrophobicContact CB-CG1 3.5Å; L72-V271 HydrophobicContact CD1-CG1 4.29Å |
| 73 | L | 87.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | 171.4 | -70.8 | -173.2 | 0 | 0 | 0 | 112.4 | V8 W11 W19 L44 L45 A69 V70 L76 N77 T269 V271 | V8-L73 HydrophobicContact CG1-CB 4.46Å; V8-L73 HydrophobicContact CG1-CD1 4.16Å; V8-L73 HydrophobicContact CG2-CD2 4.44Å; W11-L73 HydrophobicContact CH2-CD1 4.11Å; W11-L73 HydrophobicContact CH2-CD2 3.78Å; W11-L73 HydrophobicContact CZ3-CD1 3.91Å; W11-L73 HydrophobicContact CZ3-CD2 4.42Å; W19-L73 HydrophobicContact CD2-CD1 3.96Å; W19-L73 HydrophobicContact CE3-CD1 4.37Å; W19-L73 HydrophobicContact CH2-CD1 3.94Å; W19-L73 HydrophobicContact CZ2-CD1 3.47Å; W19-L73 VanDerWaalsContact CZ2-CD1 3.47Å; W19-L73 HydrophobicContact CZ2-CG 3.88Å; W19-L73 HydrophobicContact CZ3-CD1 4.37Å; L44-L73 HydrophobicContact CD2-CD1 3.85Å; L45-L73 HydrophobicContact CD2-CB 4.22Å; A69-L73 PolarHBondContact O-N 2.9Å; A69-L73 VanDerWaalsContact O-N 3.12Å; V70-L73 CarbonylContact O-C 3.59Å; V70-L73 WeakPolarHBondContact O-CA 3.29Å; V70-L73 WeakPolarHBondContact O-CB 3.5Å; V70-L73 PolarHBondContact O-N 3.19Å; L73-L76 WeakPolarHBondContact O-CB 3.22Å; L73-L76 PolarHBondContact O-N 2.91Å; L73-N77 VanDerWaalsContact O-CB 3.25Å; L73-N77 WeakPolarHBondContact O-CB 3.35Å; L73-N77 PolarHBondContact O-N 2.82Å; L73-T269 HydrophobicContact CD2-CG2 4.15Å; L73-V271 HydrophobicContact CD2-CB 4.19Å; L73-V271 HydrophobicContact CD2-CG1 4.42Å |
| 74 | C | 86 | Confident | 79.4 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 173.2 | -73.5 | 0 | 0 | 0 | 0 | 111.1 | L45 V70 D71 L76 N77 Y78 | L45-C74 HydrophobicContact CD2-CB 4.43Å; L45-C74 WeakPolarHBondContact CD2-SG 3.48Å; V70-C74 PolarHBondContact O-N 3.35Å; V70-C74 PolarHBondContact O-SG 3.15Å; V70-C74 VanDerWaalsContact O-SG 3.39Å; D71-C74 PolarHBondContact O-N 3.14Å; C74-L76 PolarHBondContact O-N 3.22Å; C74-N77 PolarHBondContact O-N 3.29Å; C74-Y78 HydrophobicContact CB-CD2 4.29Å; C74-Y78 HydrophobicContact CB-CE2 4.43Å; C74-Y78 WeakPolarHBondContact O-CD2 3.42Å; C74-Y78 PolarHBondContact O-N 3.01Å |
| 75 | A | 79.8 | Confident | 78.8 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.6 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D71 L72 G79 | D71-A75 WeakPolarHBondContact O-CB 3.36Å; D71-A75 PolarHBondContact O-N 2.96Å; L72-A75 PolarHBondContact O-N 2.76Å; A75-G79 VanDerWaalsContact O-CA 3.27Å; A75-G79 WeakPolarHBondContact O-CA 3.42Å; A75-G79 PolarHBondContact O-N 3.22Å |
| 76 | L | 80.1 | Confident | 78.2 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -56 | 172.6 | -173.1 | 71.5 | 0 | 0 | 0 | 111.7 | M5 L72 L73 C74 Y78 L80 I263 T269 V271 | M5-L76 HydrophobicContact CE-CD1 4.47Å; M5-L76 HydrophobicContact CE-CD2 3.77Å; M5-L76 HydrophobicContact CE-CG 3.95Å; M5-L76 HydrophobicContact SD-CD2 4.18Å; L72-L76 WeakPolarHBondContact O-CB 3.15Å; L72-L76 PolarHBondContact O-N 3.18Å; L73-L76 WeakPolarHBondContact O-CB 3.22Å; L73-L76 PolarHBondContact O-N 2.91Å; C74-L76 PolarHBondContact O-N 3.22Å; L76-Y78 VanDerWaalsContact C-N 3.33Å; L76-Y78 PolarHBondContact O-N 2.85Å; L76-L80 HydrophobicContact CD1-CD1 3.66Å; L76-L80 HydrophobicContact CD1-CD2 4.17Å; L76-L80 HydrophobicContact CD1-CG 3.91Å; L76-L80 HydrophobicContact CG-CD1 3.93Å; L76-L80 HydrophobicContact CG-CG 4.44Å; L76-L80 WeakPolarHBondContact O-CD1 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.32Å; L76-I263 HydrophobicContact CD1-CD1 3.9Å; L76-I263 HydrophobicContact CD1-CG1 4.23Å; L76-I263 HydrophobicContact CD1-CG2 3.58Å; L76-I263 HydrophobicContact CD2-CG2 3.73Å; L76-I263 HydrophobicContact CG-CG2 4.26Å; L76-T269 HydrophobicContact CD2-CG2 4.09Å; L76-V271 HydrophobicContact CD2-CG2 4.07Å |
| 77 | N | 79.3 | Confident | 77.8 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.4 | -35.3 | -172.3 | -169 | 68.2 | 0 | 0 | 0 | 113.3 | P7 V8 L45 L73 C74 | P7-N77 WeakPolarHBondContact CB-OD1 3.19Å; V8-N77 HydrophobicContact CB-CB 4.16Å; V8-N77 HydrophobicContact CG2-CB 4.15Å; V8-N77 PolarHBondContact N-OD1 2.75Å; L45-N77 HydrophobicContact CD1-CB 4.47Å; L45-N77 HydrophobicContact CD2-CB 4.36Å; L73-N77 VanDerWaalsContact O-CB 3.25Å; L73-N77 WeakPolarHBondContact O-CB 3.35Å; L73-N77 PolarHBondContact O-N 2.82Å; C74-N77 PolarHBondContact O-N 3.29Å |
| 78 | Y | 72.9 | Confident | 77.4 | Confident | 136 Ų | 136 | 46.5 Ų | 46.5 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -104.1 | -21 | -176.9 | -56.9 | -63.3 | 0 | 0 | 0 | 114.1 | C74 L76 T82 | C74-Y78 HydrophobicContact CB-CD2 4.29Å; C74-Y78 HydrophobicContact CB-CE2 4.43Å; C74-Y78 WeakPolarHBondContact O-CD2 3.42Å; C74-Y78 PolarHBondContact O-N 3.01Å; L76-Y78 VanDerWaalsContact C-N 3.33Å; L76-Y78 PolarHBondContact O-N 2.85Å; Y78-T82 PolarHBondContact O-OG1 3.28Å |
| 79 | G | 64.9 | Low | 77.3 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -90.6 | -25.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A75 E81 T82 E83 | A75-G79 VanDerWaalsContact O-CA 3.27Å; A75-G79 WeakPolarHBondContact O-CA 3.42Å; A75-G79 PolarHBondContact O-N 3.22Å; G79-E81 PolarHBondContact O-N 2.9Å; G79-T82 PolarHBondContact O-N 2.84Å; G79-E83 WeakPolarHBondContact O-CB 3.47Å; G79-E83 WeakPolarHBondContact O-CG 3.42Å; G79-E83 PolarHBondContact O-N 2.61Å; G79-E83 VanDerWaalsContact O-N 3.08Å |
| 80 | L | 61.3 | Low | 77.1 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -39.2 | -168.7 | -87.7 | 172.1 | 0 | 0 | 0 | 115.4 | M5 L76 L213 K294 | M5-L80 HydrophobicContact CE-CD1 3.57Å; L76-L80 HydrophobicContact CD1-CD1 3.66Å; L76-L80 HydrophobicContact CD1-CD2 4.17Å; L76-L80 HydrophobicContact CD1-CG 3.91Å; L76-L80 HydrophobicContact CG-CD1 3.93Å; L76-L80 HydrophobicContact CG-CG 4.44Å; L76-L80 WeakPolarHBondContact O-CD1 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.32Å; L80-L213 HydrophobicContact CD1-CD1 4.02Å; L80-L213 HydrophobicContact CD1-CD2 4.44Å; L80-L213 HydrophobicContact CD1-CG 4.42Å; L80-L213 HydrophobicContact CD2-CD1 4.48Å; L80-L213 HydrophobicContact CD2-CD2 3.62Å; L80-L213 HydrophobicContact CD2-CG 3.99Å; L80-K294 HydrophobicContact CD2-CD 4.15Å; L80-K294 HydrophobicContact CD2-CG 4.05Å |
| 81 | E | 51.2 | Low | 76.9 | Confident | 168 Ų | 168 | 52 Ų | 52 | 79% | 0.785 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -10.9 | -176.9 | -60.8 | -166.8 | 149.1 | 0 | 0 | 113.8 | G79 | G79-E81 PolarHBondContact O-N 2.9Š|
| 82 | T | 55 | Low | 77.1 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -15.2 | -166.6 | 65.7 | 0 | 0 | 0 | 0 | 115 | Y78 G79 N84 T87 | Y78-T82 PolarHBondContact O-OG1 3.28Å; G79-T82 PolarHBondContact O-N 2.84Å; T82-N84 PolarHBondContact O-N 3.13Å; T82-T87 WeakPolarHBondContact O-CB 3.42Å; T82-T87 PolarHBondContact O-OG1 2.81Å |
| 83 | E | 65.2 | Low | 77.3 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | trans | -80.9 | 114.2 | 178.6 | -70.1 | -173.6 | 161.6 | 0 | 0 | 112.9 | G79 L88 W141 S210 A211 K294 | G79-E83 WeakPolarHBondContact O-CB 3.47Å; G79-E83 WeakPolarHBondContact O-CG 3.42Å; G79-E83 PolarHBondContact O-N 2.61Å; G79-E83 VanDerWaalsContact O-N 3.08Å; E83-L88 HydrophobicContact CB-CD1 4.49Å; E83-L88 HydrophobicContact CG-CD2 4.12Å; E83-L88 HydrophobicContact CG-CG 4.44Å; E83-W141 HydrophobicContact CB-CZ2 3.61Å; E83-W141 VanDerWaalsContact O-CH2 3.24Å; E83-W141 WeakPolarHBondContact O-CH2 3.26Å; E83-W141 WeakPolarHBondContact O-CZ2 3.47Å; E83-W141 PolarHBondContact OE2-NE1 2.94Å; E83-W141 VanDerWaalsContact OE2-NE1 3.14Å; E83-S210 WeakPolarHBondContact O-CA 3.33Å; E83-A211 PolarHBondContact O-N 3.07Å; E83-K294 IonicContact OE2-NZ 2.73Å; E83-K294 PolarHBondContact OE2-NZ 2.85Å; E83-K294 VanDerWaalsContact OE2-NZ 3.14Å | ||
| 84 | N | 74 | Confident | 77.5 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | trans | -132 | 170.8 | 151.7 | 65.4 | 24.4 | 0 | 0 | 0 | 108.9 | T82 K86 T87 L88 S208 Q209 | T82-N84 PolarHBondContact O-N 3.13Å; N84-K86 PolarHBondContact O-N 3.46Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 3.44Å; N84-K86 PolarHBondContact OD1-N 2.86Å; N84-T87 PolarHBondContact N-OG1 3.04Å; N84-T87 PolarHBondContact O-N 3.04Å; N84-T87 PolarHBondContact O-OG1 3.31Å; N84-T87 VanDerWaalsContact O-OG1 3.11Å; N84-T87 WeakPolarHBondContact OD1-CG2 3.29Å; N84-T87 PolarHBondContact OD1-N 3.09Å; N84-T87 PolarHBondContact OD1-OG1 2.87Å; N84-L88 WeakPolarHBondContact O-CG 3.27Å; N84-L88 PolarHBondContact O-N 2.81Å; N84-L88 VanDerWaalsContact O-N 3.07Å; N84-S208 PolarHBondContact ND2-O 2.78Å; N84-Q209 VanDerWaalsContact CB-O 3.26Å; N84-Q209 WeakPolarHBondContact CB-O 3.49Å | ||
| 85 | L | 77 | Confident | 77.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -30.3 | -176.1 | -160.7 | 77 | 0 | 0 | 0 | 112 | S89 L138 W141 L142 F147 Y153 I198 V207 | L85-S89 VanDerWaalsContact O-CB 3.28Å; L85-S89 WeakPolarHBondContact O-CB 3.42Å; L85-S89 PolarHBondContact O-N 2.82Å; L85-S89 PolarHBondContact O-OG 3.41Å; L85-L138 HydrophobicContact CD1-CD1 3.65Å; L85-L138 HydrophobicContact CG-CD1 4.16Å; L85-W141 HydrophobicContact CD1-CB 4.11Å; L85-L142 HydrophobicContact CD1-CD2 3.9Å; L85-L142 HydrophobicContact CD1-CG 4.16Å; L85-L142 HydrophobicContact CD2-CD2 4.29Å; L85-F147 HydrophobicContact CD2-CD1 4.39Å; L85-F147 HydrophobicContact CD2-CE1 4.06Å; L85-Y153 HydrophobicContact CD2-CD1 4.28Å; L85-Y153 HydrophobicContact CD2-CE1 3.86Å; L85-I198 HydrophobicContact CD2-CG2 3.64Å; L85-I198 HydrophobicContact CG-CG2 3.94Å; L85-V207 HydrophobicContact CB-CG1 4.34Å; L85-V207 HydrophobicContact CD2-CG2 4.15Å |
| 86 | K | 80.3 | Confident | 78.4 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.1 | -49.1 | 176.1 | -169.7 | 171.6 | -175 | 161.5 | 0 | 112.9 | N84 S89 H90 S202 V207 | N84-K86 PolarHBondContact O-N 3.46Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 3.44Å; N84-K86 PolarHBondContact OD1-N 2.86Å; K86-S89 PolarHBondContact O-N 3.05Å; K86-H90 PolarHBondContact O-CD2 2.85Å; K86-H90 PolarHBondContact O-N 3.4Å; K86-S202 PolarHBondContact NZ-OG 2.93Å; K86-V207 HydrophobicContact CB-CG1 4.15Å; K86-V207 PolarHBondContact N-O 3.35Å |
| 87 | T | 83 | Confident | 78.9 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 37% | 0.368 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 178.9 | 55 | 0 | 0 | 0 | 0 | 111.6 | T82 N84 H90 K91 | T82-T87 WeakPolarHBondContact O-CB 3.42Å; T82-T87 PolarHBondContact O-OG1 2.81Å; N84-T87 PolarHBondContact N-OG1 3.04Å; N84-T87 PolarHBondContact O-N 3.04Å; N84-T87 PolarHBondContact O-OG1 3.31Å; N84-T87 VanDerWaalsContact O-OG1 3.11Å; N84-T87 WeakPolarHBondContact OD1-CG2 3.29Å; N84-T87 PolarHBondContact OD1-N 3.09Å; N84-T87 PolarHBondContact OD1-OG1 2.87Å; T87-H90 PolarHBondContact O-N 2.8Å; T87-K91 WeakPolarHBondContact O-CB 3.11Å; T87-K91 PolarHBondContact O-N 2.71Å |
| 88 | L | 83.2 | Confident | 79.5 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 172.8 | -69.5 | 173.8 | 0 | 0 | 0 | 112.2 | E83 N84 H90 K91 L92 L138 W141 | E83-L88 HydrophobicContact CB-CD1 4.49Å; E83-L88 HydrophobicContact CG-CD2 4.12Å; E83-L88 HydrophobicContact CG-CG 4.44Å; N84-L88 WeakPolarHBondContact O-CG 3.27Å; N84-L88 PolarHBondContact O-N 2.81Å; N84-L88 VanDerWaalsContact O-N 3.07Å; L88-H90 VanDerWaalsContact C-N 3.35Å; L88-H90 PolarHBondContact O-N 2.88Å; L88-K91 PolarHBondContact O-N 2.88Å; L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 PolarHBondContact O-N 3.14Å; L88-L138 HydrophobicContact CB-CD1 3.87Å; L88-W141 HydrophobicContact CD1-CB 4.3Å; L88-W141 HydrophobicContact CD1-CD2 3.92Å; L88-W141 HydrophobicContact CD1-CG 3.62Å |
| 89 | S | 86.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 174.7 | -60 | 0 | 0 | 0 | 0 | 112 | L85 K86 N93 I198 | L85-S89 VanDerWaalsContact O-CB 3.28Å; L85-S89 WeakPolarHBondContact O-CB 3.42Å; L85-S89 PolarHBondContact O-N 2.82Å; L85-S89 PolarHBondContact O-OG 3.41Å; K86-S89 PolarHBondContact O-N 3.05Å; S89-N93 WeakPolarHBondContact O-CB 3.41Å; S89-N93 PolarHBondContact O-N 3.41Å; S89-I198 VanDerWaalsContact OG-CG2 3.26Å; S89-I198 WeakPolarHBondContact OG-CG2 3.38Å |
| 90 | H | 86.8 | Confident | 81.6 | Confident | 87 Ų | 87 | 46.4 Ų | 46.4 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 172.4 | -75.9 | -64.4 | 0 | 0 | 0 | 112.4 | K86 T87 L88 N93 A94 I199 | K86-H90 PolarHBondContact O-CD2 2.85Å; K86-H90 PolarHBondContact O-N 3.4Å; T87-H90 PolarHBondContact O-N 2.8Å; L88-H90 VanDerWaalsContact C-N 3.35Å; L88-H90 PolarHBondContact O-N 2.88Å; H90-N93 PolarHBondContact O-N 3.01Å; H90-A94 VanDerWaalsContact O-CB 3.29Å; H90-A94 WeakPolarHBondContact O-CB 3.31Å; H90-A94 PolarHBondContact O-N 2.98Å; H90-I199 WeakPolarHBondContact ND1-CD1 3.42Å |
| 91 | K | 88.1 | Confident | 83 | Confident | 126 Ų | 126 | 50.2 Ų | 50.2 | 55% | 0.548 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.9 | -172.8 | 179.1 | -178.6 | -178 | 0 | 111.5 | T87 L88 A94 S95 A134 | T87-K91 WeakPolarHBondContact O-CB 3.11Å; T87-K91 PolarHBondContact O-N 2.71Å; L88-K91 PolarHBondContact O-N 2.88Å; K91-A94 PolarHBondContact O-N 2.91Å; K91-S95 PolarHBondContact O-N 3.04Å; K91-A134 HydrophobicContact CG-CB 4.38Å |
| 92 | L | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.8 | -177.7 | 53.5 | 0 | 0 | 0 | 112.1 | L88 A94 S95 A96 L131 A134 A135 L138 L191 C195 | L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 PolarHBondContact O-N 3.14Å; L92-A94 PolarHBondContact O-N 3Å; L92-S95 PolarHBondContact O-N 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.12Å; L92-L131 HydrophobicContact CD1-CD1 3.72Å; L92-A134 HydrophobicContact CB-CB 4.33Å; L92-A134 HydrophobicContact CD1-CB 3.96Å; L92-A135 HydrophobicContact CD1-CB 3.82Å; L92-A135 HydrophobicContact CD2-CB 4.28Å; L92-L138 HydrophobicContact CD2-CB 4.29Å; L92-L138 HydrophobicContact CD2-CD2 3.45Å; L92-L138 VanDerWaalsContact CD2-CD2 3.45Å; L92-L191 HydrophobicContact CD1-CD2 4.08Å; L92-L191 HydrophobicContact CD1-CG 4.38Å; L92-L191 HydrophobicContact CD2-CD1 4.07Å; L92-L191 HydrophobicContact CD2-CG 4.44Å; L92-L191 HydrophobicContact CG-CG 4.34Å; L92-C195 VanDerWaalsContact CG-SG 3.54Å |
| 93 | N | 91.4 | Very high | 86.3 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 177.7 | -163.4 | 10 | 0 | 0 | 0 | 112.7 | S89 H90 A96 K97 S192 C195 D196 | S89-N93 WeakPolarHBondContact O-CB 3.41Å; S89-N93 PolarHBondContact O-N 3.41Å; H90-N93 PolarHBondContact O-N 3.01Å; N93-A96 PolarHBondContact O-N 3.3Å; N93-K97 VanDerWaalsContact CG-NZ 3.27Å; N93-K97 PolarHBondContact ND2-NZ 3.18Å; N93-K97 WeakPolarHBondContact O-CB 3.31Å; N93-K97 WeakPolarHBondContact O-CG 3.36Å; N93-K97 PolarHBondContact O-N 3.45Å; N93-K97 WeakPolarHBondContact OD1-CD 3.47Å; N93-K97 WeakPolarHBondContact OD1-CE 3.46Å; N93-K97 PolarHBondContact OD1-NZ 3.4Å; N93-S192 VanDerWaalsContact OD1-CB 3.32Å; N93-S192 WeakPolarHBondContact OD1-CB 3.46Å; N93-S192 PolarHBondContact OD1-OG 3.48Å; N93-C195 HydrophobicContact CB-CB 3.67Å; N93-D196 PolarHBondContact ND2-OD1 3.31Å |
| 94 | A | 90.8 | Very high | 87.3 | Confident | 48 Ų | 48 | 42 Ų | 42 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | H90 K91 L92 K97 N98 | H90-A94 VanDerWaalsContact O-CB 3.29Å; H90-A94 WeakPolarHBondContact O-CB 3.31Å; H90-A94 PolarHBondContact O-N 2.98Å; K91-A94 PolarHBondContact O-N 2.91Å; L92-A94 PolarHBondContact O-N 3Å; A94-K97 PolarHBondContact O-N 2.85Å; A94-N98 WeakPolarHBondContact O-CB 3.32Å; A94-N98 PolarHBondContact O-N 2.73Å; A94-N98 PolarHBondContact O-OD1 2.95Å |
| 95 | S | 91.9 | Very high | 87.8 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | K91 L92 K97 N98 L99 L131 | K91-S95 PolarHBondContact O-N 3.04Å; L92-S95 PolarHBondContact O-N 3.31Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 2.9Å; S95-N98 PolarHBondContact O-N 2.92Å; S95-L99 PolarHBondContact O-N 2.98Å; S95-L131 VanDerWaalsContact OG-CA 3.31Å; S95-L131 WeakPolarHBondContact OG-CA 3.32Å; S95-L131 PolarHBondContact OG-N 3.17Å |
| 96 | A | 93 | Very high | 88 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L92 N93 Q100 L131 C188 | L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.12Å; N93-A96 PolarHBondContact O-N 3.3Å; A96-Q100 VanDerWaalsContact O-CG 3.28Å; A96-Q100 WeakPolarHBondContact O-CG 3.4Å; A96-Q100 PolarHBondContact O-N 3.42Å; A96-Q100 VanDerWaalsContact O-N 3.16Å; A96-Q100 PolarHBondContact O-NE2 3.19Å; A96-L131 HydrophobicContact CB-CD1 3.9Å; A96-C188 HydrophobicContact CB-CB 4.46Å |
| 97 | K | 91.3 | Very high | 88.2 | Confident | 81 Ų | 81 | 44.9 Ų | 44.9 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.1 | -35.6 | 176.9 | -76.1 | 165 | 176.6 | 156.6 | 0 | 111.8 | N93 A94 S95 Q100 N101 D196 | N93-K97 VanDerWaalsContact CG-NZ 3.27Å; N93-K97 PolarHBondContact ND2-NZ 3.18Å; N93-K97 WeakPolarHBondContact O-CB 3.31Å; N93-K97 WeakPolarHBondContact O-CG 3.36Å; N93-K97 PolarHBondContact O-N 3.45Å; N93-K97 WeakPolarHBondContact OD1-CD 3.47Å; N93-K97 WeakPolarHBondContact OD1-CE 3.46Å; N93-K97 PolarHBondContact OD1-NZ 3.4Å; A94-K97 PolarHBondContact O-N 2.85Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 2.9Å; K97-Q100 PolarHBondContact O-N 3.37Å; K97-N101 WeakPolarHBondContact O-CB 3.28Å; K97-N101 PolarHBondContact O-N 3.37Å; K97-N101 PolarHBondContact O-ND2 2.69Å; K97-D196 IonicContact NZ-OD1 3.59Å; K97-D196 IonicContact NZ-OD2 3.25Å; K97-D196 PolarHBondContact NZ-OD2 3.09Å |
| 98 | N | 90.5 | Very high | 88.1 | Confident | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 173.2 | -73.1 | -11 | 0 | 0 | 0 | 111.8 | A94 S95 Q100 N101 F102 | A94-N98 WeakPolarHBondContact O-CB 3.32Å; A94-N98 PolarHBondContact O-N 2.73Å; A94-N98 PolarHBondContact O-OD1 2.95Å; S95-N98 PolarHBondContact O-N 2.92Å; N98-Q100 PolarHBondContact O-N 3Å; N98-N101 PolarHBondContact O-N 3.23Å; N98-F102 WeakPolarHBondContact O-CB 3.34Å; N98-F102 PolarHBondContact O-N 3.25Å |
| 99 | L | 91.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 176.3 | -177.5 | 53.3 | 0 | 0 | 0 | 112.1 | S95 F102 I103 F124 V128 L131 I184 | S95-L99 PolarHBondContact O-N 2.98Å; L99-F102 PolarHBondContact O-N 3.35Å; L99-I103 HydrophobicContact CD1-CD1 4.26Å; L99-I103 HydrophobicContact CD1-CG1 4.38Å; L99-I103 HydrophobicContact CG-CD1 4.25Å; L99-I103 VanDerWaalsContact O-CG1 3.29Å; L99-I103 WeakPolarHBondContact O-CG1 3.39Å; L99-I103 PolarHBondContact O-N 3.45Å; L99-F124 HydrophobicContact CD1-CD2 3.79Å; L99-F124 HydrophobicContact CD1-CE2 3.58Å; L99-F124 HydrophobicContact CD1-CZ 4.4Å; L99-V128 HydrophobicContact CD1-CG2 4.44Å; L99-V128 HydrophobicContact CD2-CG2 3.71Å; L99-L131 HydrophobicContact CD2-CD2 3.76Å; L99-I184 HydrophobicContact CD2-CG2 3.81Å; L99-I184 HydrophobicContact CG-CG2 4.29Å |
| 100 | Q | 91.1 | Very high | 86.5 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 172.3 | -75.8 | 169.8 | 87.2 | 0 | 0 | 112.5 | A96 K97 N98 T104 L185 C188 K189 | A96-Q100 VanDerWaalsContact O-CG 3.28Å; A96-Q100 WeakPolarHBondContact O-CG 3.4Å; A96-Q100 PolarHBondContact O-N 3.42Å; A96-Q100 VanDerWaalsContact O-N 3.16Å; A96-Q100 PolarHBondContact O-NE2 3.19Å; K97-Q100 PolarHBondContact O-N 3.37Å; N98-Q100 PolarHBondContact O-N 3Å; Q100-T104 VanDerWaalsContact O-CB 3.29Å; Q100-T104 WeakPolarHBondContact O-CB 3.29Å; Q100-T104 PolarHBondContact O-N 2.96Å; Q100-T104 PolarHBondContact O-OG1 2.98Å; Q100-L185 HydrophobicContact CB-CD2 4.12Å; Q100-L185 HydrophobicContact CG-CD2 3.84Å; Q100-C188 HydrophobicContact CG-CB 3.65Å; Q100-K189 VanDerWaalsContact OE1-CG 3.28Å |
| 101 | N | 89.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 57% | 0.567 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 177 | -74 | -25.3 | 0 | 0 | 0 | 111.7 | K97 N98 T104 G105 | K97-N101 WeakPolarHBondContact O-CB 3.28Å; K97-N101 PolarHBondContact O-N 3.37Å; K97-N101 PolarHBondContact O-ND2 2.69Å; N98-N101 PolarHBondContact O-N 3.23Å; N101-T104 PolarHBondContact O-N 2.96Å; N101-G105 PolarHBondContact O-N 3.03Å |
| 102 | F | 88.1 | Confident | 84.9 | Confident | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.272 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 177.9 | -177.2 | -120.7 | 0 | 0 | 0 | 111.9 | N98 L99 T104 G105 R106 D123 F124 | N98-F102 WeakPolarHBondContact O-CB 3.34Å; N98-F102 PolarHBondContact O-N 3.25Å; L99-F102 PolarHBondContact O-N 3.35Å; F102-T104 VanDerWaalsContact C-N 3.34Å; F102-T104 PolarHBondContact O-N 3.35Å; F102-G105 PolarHBondContact O-N 3.33Å; F102-R106 HydrophobicContact CE2-CG 4.44Å; F102-R106 WeakPolarHBondContact O-CG 3.22Å; F102-R106 PolarHBondContact O-N 2.85Å; F102-D123 HydrophobicContact CE1-CB 4.48Å; F102-D123 HydrophobicContact CZ-CB 3.92Å; F102-F124 HydrophobicContact CD1-CD2 4.08Å; F102-F124 HydrophobicContact CE1-CB 3.98Å; F102-F124 HydrophobicContact CE1-CD2 4.09Å |
| 103 | I | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 173.5 | -66.1 | 166.4 | 0 | 0 | 0 | 110.9 | L99 G105 R106 R107 F124 E181 I184 L185 | L99-I103 HydrophobicContact CD1-CD1 4.26Å; L99-I103 HydrophobicContact CD1-CG1 4.38Å; L99-I103 HydrophobicContact CG-CD1 4.25Å; L99-I103 VanDerWaalsContact O-CG1 3.29Å; L99-I103 WeakPolarHBondContact O-CG1 3.39Å; L99-I103 PolarHBondContact O-N 3.45Å; I103-G105 VanDerWaalsContact C-N 3.34Å; I103-G105 PolarHBondContact O-N 2.65Å; I103-R106 PolarHBondContact O-N 2.99Å; I103-R107 WeakPolarHBondContact O-CB 3.47Å; I103-R107 VanDerWaalsContact O-CG 3.31Å; I103-R107 WeakPolarHBondContact O-CG 3.16Å; I103-R107 PolarHBondContact O-N 3.43Å; I103-F124 HydrophobicContact CD1-CE2 3.8Å; I103-F124 HydrophobicContact CD1-CZ 4.33Å; I103-F124 HydrophobicContact CG1-CD2 4.39Å; I103-F124 HydrophobicContact CG1-CE2 3.61Å; I103-E181 HydrophobicContact CD1-CG 4.48Å; I103-E181 HydrophobicContact CG1-CG 4.12Å; I103-E181 HydrophobicContact CG2-CB 3.94Å; I103-E181 HydrophobicContact CG2-CG 4.03Å; I103-I184 HydrophobicContact CD1-CG2 4.06Å; I103-L185 HydrophobicContact CB-CD2 4.09Å; I103-L185 HydrophobicContact CB-CG 4.4Å; I103-L185 HydrophobicContact CD1-CD2 3.84Å; I103-L185 HydrophobicContact CD1-CG 3.87Å; I103-L185 HydrophobicContact CG2-CD1 3.71Å; I103-L185 HydrophobicContact CG2-CD2 4.02Å; I103-L185 HydrophobicContact CG2-CG 3.86Å |
| 104 | T | 86.4 | Confident | 82.8 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.6 | -35.7 | -177.3 | -56.2 | 0 | 0 | 0 | 0 | 112 | Q100 N101 F102 R108 | Q100-T104 VanDerWaalsContact O-CB 3.29Å; Q100-T104 WeakPolarHBondContact O-CB 3.29Å; Q100-T104 PolarHBondContact O-N 2.96Å; Q100-T104 PolarHBondContact O-OG1 2.98Å; N101-T104 PolarHBondContact O-N 2.96Å; F102-T104 VanDerWaalsContact C-N 3.34Å; F102-T104 PolarHBondContact O-N 3.35Å; T104-R108 VanDerWaalsContact O-CG 3.31Å; T104-R108 WeakPolarHBondContact O-CG 3.34Å; T104-R108 PolarHBondContact O-N 3.24Å |
| 105 | G | 84.3 | Confident | 81.7 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -49 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | N101 F102 I103 R107 R108 S109 | N101-G105 PolarHBondContact O-N 3.03Å; F102-G105 PolarHBondContact O-N 3.33Å; I103-G105 VanDerWaalsContact C-N 3.34Å; I103-G105 PolarHBondContact O-N 2.65Å; G105-R107 VanDerWaalsContact C-N 3.32Å; G105-R107 PolarHBondContact O-N 3.07Å; G105-R108 PolarHBondContact O-N 3.39Å; G105-S109 PolarHBondContact O-N 3.41Å |
| 106 | R | 82.5 | Confident | 80.2 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 17% | 0.166 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 176.7 | -67.7 | -162.9 | -54.3 | -156.4 | 4.2 | 112.2 | F102 I103 R108 S109 Y112 E181 | F102-R106 HydrophobicContact CE2-CG 4.44Å; F102-R106 WeakPolarHBondContact O-CG 3.22Å; F102-R106 PolarHBondContact O-N 2.85Å; I103-R106 PolarHBondContact O-N 2.99Å; R106-R108 PolarHBondContact O-N 2.84Å; R106-S109 VanDerWaalsContact O-CB 3.26Å; R106-S109 WeakPolarHBondContact O-CB 3.36Å; R106-S109 PolarHBondContact O-N 3.32Å; R106-Y112 HydrophobicContact CB-CD2 4.29Å; R106-Y112 WeakPolarHBondContact O-CD2 3.36Å; R106-E181 IonicContact CZ-OE1 3.16Å; R106-E181 IonicContact NE-OE1 2.75Å; R106-E181 PolarHBondContact NE-OE1 2.93Å; R106-E181 IonicContact NH2-OE1 2.85Å; R106-E181 PolarHBondContact NH2-OE1 3.42Å |
| 107 | R | 83.1 | Confident | 79.3 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -15.7 | 176.5 | -71.2 | 171 | 175.7 | -144.6 | -10.9 | 114.8 | I103 G105 Y112 Y178 E181 N182 | I103-R107 WeakPolarHBondContact O-CB 3.47Å; I103-R107 VanDerWaalsContact O-CG 3.31Å; I103-R107 WeakPolarHBondContact O-CG 3.16Å; I103-R107 PolarHBondContact O-N 3.43Å; G105-R107 VanDerWaalsContact C-N 3.32Å; G105-R107 PolarHBondContact O-N 3.07Å; R107-Y112 HydrophobicContact CG-CD2 4.1Å; R107-Y112 HydrophobicContact CG-CE1 4.42Å; R107-Y112 HydrophobicContact CG-CE2 3.64Å; R107-Y178 PolarHBondContact NH2-O 3.44Å; R107-E181 IonicContact CZ-OE2 3.98Å; R107-E181 IonicContact NE-OE2 2.69Å; R107-E181 PolarHBondContact NE-OE2 3.09Å; R107-E181 IonicContact NH2-OE2 3.6Å; R107-E181 PolarHBondContact NH2-OE2 3.2Å; R107-N182 VanDerWaalsContact CZ-OD1 3.29Å; R107-N182 PolarHBondContact NH1-OD1 3.43Å; R107-N182 PolarHBondContact NH2-OD1 3.24Å |
| 108 | R | 80.9 | Confident | 78.2 | Confident | 209 Ų | 209 | 81 Ų | 81 | 79% | 0.789 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -7.2 | 171.9 | -71.5 | 171.9 | 179.4 | -174.6 | 0.9 | 112.9 | T104 G105 R106 | T104-R108 VanDerWaalsContact O-CG 3.31Å; T104-R108 WeakPolarHBondContact O-CG 3.34Å; T104-R108 PolarHBondContact O-N 3.24Å; G105-R108 PolarHBondContact O-N 3.39Å; R106-R108 PolarHBondContact O-N 2.84Å |
| 109 | S | 76.8 | Confident | 77.5 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -74.5 | 134.4 | 172 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | G105 R106 H111 Y112 | G105-S109 PolarHBondContact O-N 3.41Å; R106-S109 VanDerWaalsContact O-CB 3.26Å; R106-S109 WeakPolarHBondContact O-CB 3.36Å; R106-S109 PolarHBondContact O-N 3.32Å; S109-H111 PolarHBondContact O-N 2.65Å; S109-Y112 PolarHBondContact O-N 2.9Å |
| 110 | G | 59.8 | Low | 76.9 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 83% | 0.825 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -7.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 111 | H | 64.9 | Low | 76.5 | Confident | 182 Ų | 182 | 87.1 Ų | 87.1 | 84% | 0.843 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 31.5 | -179.5 | -58.5 | 96.8 | 0 | 0 | 0 | 112.4 | S109 D113 | S109-H111 PolarHBondContact O-N 2.65Å; H111-D113 PolarHBondContact O-N 2.92Å |
| 112 | Y | 76.3 | Confident | 76.2 | Confident | 62 Ų | 62 | 88 Ų | 88 | 24% | 0.243 | 45% | 0.445 | C | S | . | . | trans | -75 | 104 | 179.3 | 179.1 | -91.5 | 0 | 0 | 0 | 112.3 | R106 R107 S109 Y178 E181 | R106-Y112 HydrophobicContact CB-CD2 4.29Å; R106-Y112 WeakPolarHBondContact O-CD2 3.36Å; R107-Y112 HydrophobicContact CG-CD2 4.1Å; R107-Y112 HydrophobicContact CG-CE1 4.42Å; R107-Y112 HydrophobicContact CG-CE2 3.64Å; S109-Y112 PolarHBondContact O-N 2.9Å; Y112-Y178 AromaticContact CE1-CD2 3.94Å; Y112-Y178 HydrophobicContact CE1-CD2 3.94Å; Y112-Y178 WeakPolarHBondContact OH-CA 3.35Å; Y112-Y178 WeakPolarHBondContact OH-CD2 3.3Å; Y112-E181 PolarHBondContact OH-OE2 2.75Å | ||
| 113 | D | 68.9 | Low | 76.1 | Confident | 93 Ų | 93 | 90 Ų | 90 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | trans | -98.3 | 25.1 | 178.1 | -170.1 | 26.3 | 0 | 0 | 0 | 113.8 | H111 R115 T116 S117 | H111-D113 PolarHBondContact O-N 2.92Å; D113-R115 PolarHBondContact O-N 2.93Å; D113-T116 PolarHBondContact O-N 3.19Å; D113-T116 WeakPolarHBondContact OD1-CB 3.37Å; D113-T116 WeakPolarHBondContact OD1-CG2 3.48Å; D113-T116 PolarHBondContact OD1-OG1 3.42Å; D113-T116 PolarHBondContact OD2-OG1 3.48Å; D113-S117 WeakPolarHBondContact O-CB 3.1Å; D113-S117 PolarHBondContact O-N 3.3Å | ||
| 114 | G | 68.3 | Low | 76 | Confident | 5 Ų | 5 | 90 Ų | 90 | 5% | 0.052 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V177 Y178 | G114-V177 PolarHBondContact O-N 2.98Å; G114-Y178 VanDerWaalsContact O-CB 3.32Å; G114-Y178 WeakPolarHBondContact O-CB 3.42Å; G114-Y178 PolarHBondContact O-N 3.1Å |
| 115 | R | 68.7 | Low | 76.1 | Confident | 178 Ų | 178 | 90.4 Ų | 90.4 | 67% | 0.672 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -25.1 | 175.2 | -73.1 | -169.9 | 175.4 | -152.2 | -0.7 | 114 | D113 Y178 | D113-R115 PolarHBondContact O-N 2.93Å; R115-Y178 HydrophobicContact CG-CG 4.37Å |
| 116 | T | 60.9 | Low | 76.3 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 63% | 0.632 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -33.8 | 176.4 | 85.4 | 0 | 0 | 0 | 0 | 111.6 | D113 | D113-T116 PolarHBondContact O-N 3.19Å; D113-T116 WeakPolarHBondContact OD1-CB 3.37Å; D113-T116 WeakPolarHBondContact OD1-CG2 3.48Å; D113-T116 PolarHBondContact OD1-OG1 3.42Å; D113-T116 PolarHBondContact OD2-OG1 3.48Å |
| 117 | S | 73.3 | Confident | 76.7 | Confident | 37 Ų | 37 | 91.5 Ų | 91.5 | 26% | 0.259 | 46% | 0.463 | S | S | . | . | trans | -65.3 | 137.1 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | D113 K119 V177 | D113-S117 WeakPolarHBondContact O-CB 3.1Å; D113-S117 PolarHBondContact O-N 3.3Å; S117-K119 PolarHBondContact OG-N 3.04Å; S117-K119 PolarHBondContact OG-O 3.21Å; S117-V177 WeakPolarHBondContact O-CG2 3.21Å; S117-V177 PolarHBondContact O-N 3.45Å; S117-V177 VanDerWaalsContact O-N 3.15Å | ||
| 118 | R | 68.6 | Low | 77 | Confident | 182 Ų | 182 | 88.7 Ų | 88.7 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | trans | -106.8 | 2.1 | 166.4 | -62.2 | -175.4 | 179.3 | -136.4 | 0.5 | 113 | ||||
| 119 | K | 74.7 | Confident | 77.5 | Confident | 176 Ų | 176 | 83.3 Ų | 83.3 | 77% | 0.765 | 44% | 0.443 | S | S | * | . | trans | -105 | 119.4 | 179.4 | -70.7 | -171.7 | 177.2 | -176.2 | 0 | 110.5 | S117 V177 | S117-K119 PolarHBondContact OG-N 3.04Å; S117-K119 PolarHBondContact OG-O 3.21Å; K119-V177 WeakPolarHBondContact O-CG2 3.49Å | ||
| 120 | L | 79.8 | Confident | 78 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 16% | 0.157 | 45% | 0.445 | C | S | . | . | trans | -72.4 | 132.8 | 172.5 | -63.1 | 166.8 | 0 | 0 | 0 | 109.7 | F124 L125 V171 V177 T180 | L120-F124 HydrophobicContact CB-CD1 4.2Å; L120-F124 HydrophobicContact CD1-CD1 4.26Å; L120-F124 HydrophobicContact CD1-CE1 4.3Å; L120-F124 HydrophobicContact CD2-CD1 3.83Å; L120-F124 HydrophobicContact CD2-CE1 3.81Å; L120-F124 HydrophobicContact CG-CD1 4.32Å; L120-L125 HydrophobicContact CB-CD2 4.03Å; L120-L125 HydrophobicContact CB-CG 4.31Å; L120-L125 HydrophobicContact CD1-CD2 3.78Å; L120-V171 HydrophobicContact CD1-CG1 4.07Å; L120-V177 HydrophobicContact CD2-CB 4.43Å; L120-V177 HydrophobicContact CD2-CG1 4.14Å; L120-V177 HydrophobicContact CD2-CG2 4.02Å; L120-T180 HydrophobicContact CD1-CG2 4.17Å; L120-T180 HydrophobicContact CD2-CG2 4.06Å | ||
| 121 | P | 82.4 | Confident | 79.5 | Confident | 57 Ų | 57 | 80.8 Ų | 80.8 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | trans | -65.2 | 146.6 | 174.7 | -24.4 | 35.9 | 0 | 0 | 0 | 112.5 | D123 F124 L125 | P121-D123 PolarHBondContact O-N 2.94Å; P121-F124 WeakPolarHBondContact O-CB 3.33Å; P121-F124 PolarHBondContact O-N 2.92Å; P121-L125 PolarHBondContact O-N 3.01Å | ||
| 122 | N | 84.6 | Confident | 80.7 | Confident | 125 Ų | 125 | 73.8 Ų | 73.8 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55.7 | -45.4 | -173.4 | -67.8 | -2.9 | 0 | 0 | 0 | 113.3 | F124 L125 T126 | N122-F124 PolarHBondContact O-N 2.95Å; N122-L125 WeakPolarHBondContact O-CA 3.2Å; N122-L125 WeakPolarHBondContact O-CB 3.42Å; N122-L125 PolarHBondContact O-N 2.8Å; N122-T126 PolarHBondContact O-N 3.17Å; N122-T126 PolarHBondContact O-OG1 3.16Å |
| 123 | D | 84.8 | Confident | 81.1 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.1 | -24.6 | 179.5 | -22.7 | -51.3 | 0 | 0 | 0 | 113.1 | F102 P121 S127 | F102-D123 HydrophobicContact CE1-CB 4.48Å; F102-D123 HydrophobicContact CZ-CB 3.92Å; P121-D123 PolarHBondContact O-N 2.94Å; D123-S127 WeakPolarHBondContact O-CB 3.48Å; D123-S127 PolarHBondContact O-N 2.75Å; D123-S127 PolarHBondContact O-OG 3.04Å |
| 124 | F | 86.9 | Confident | 82 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.4 | -43.5 | 172.2 | -172.6 | -104.8 | 0 | 0 | 0 | 111.9 | L99 F102 I103 L120 P121 N122 S127 V128 E181 I184 | L99-F124 HydrophobicContact CD1-CD2 3.79Å; L99-F124 HydrophobicContact CD1-CE2 3.58Å; L99-F124 HydrophobicContact CD1-CZ 4.4Å; F102-F124 HydrophobicContact CD1-CD2 4.08Å; F102-F124 HydrophobicContact CE1-CB 3.98Å; F102-F124 HydrophobicContact CE1-CD2 4.09Å; I103-F124 HydrophobicContact CD1-CE2 3.8Å; I103-F124 HydrophobicContact CD1-CZ 4.33Å; I103-F124 HydrophobicContact CG1-CD2 4.39Å; I103-F124 HydrophobicContact CG1-CE2 3.61Å; L120-F124 HydrophobicContact CB-CD1 4.2Å; L120-F124 HydrophobicContact CD1-CD1 4.26Å; L120-F124 HydrophobicContact CD1-CE1 4.3Å; L120-F124 HydrophobicContact CD2-CD1 3.83Å; L120-F124 HydrophobicContact CD2-CE1 3.81Å; L120-F124 HydrophobicContact CG-CD1 4.32Å; P121-F124 WeakPolarHBondContact O-CB 3.33Å; P121-F124 PolarHBondContact O-N 2.92Å; N122-F124 PolarHBondContact O-N 2.95Å; F124-S127 PolarHBondContact O-N 3.26Å; F124-V128 HydrophobicContact CD1-CG2 4.36Å; F124-V128 HydrophobicContact CE1-CG2 4.09Å; F124-V128 HydrophobicContact CZ-CG2 4.34Å; F124-V128 WeakPolarHBondContact O-CG2 3.24Å; F124-V128 PolarHBondContact O-N 3.02Å; F124-E181 HydrophobicContact CE2-CG 4.22Å; F124-E181 HydrophobicContact CZ-CG 4.25Å; F124-I184 HydrophobicContact CE1-CD1 3.63Å; F124-I184 HydrophobicContact CZ-CB 4.44Å; F124-I184 HydrophobicContact CZ-CD1 3.54Å; F124-I184 HydrophobicContact CZ-CG2 4.19Å |
| 125 | L | 88.3 | Confident | 82.9 | Confident | 60 Ų | 60 | 68 Ų | 68 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 178.4 | -59.4 | 176.3 | 0 | 0 | 0 | 109.8 | L120 P121 N122 V128 V129 V171 | L120-L125 HydrophobicContact CB-CD2 4.03Å; L120-L125 HydrophobicContact CB-CG 4.31Å; L120-L125 HydrophobicContact CD1-CD2 3.78Å; P121-L125 PolarHBondContact O-N 3.01Å; N122-L125 WeakPolarHBondContact O-CA 3.2Å; N122-L125 WeakPolarHBondContact O-CB 3.42Å; N122-L125 PolarHBondContact O-N 2.8Å; L125-V128 PolarHBondContact O-N 3.08Å; L125-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 3.42Å; L125-V171 HydrophobicContact CD2-CG1 3.62Å |
| 126 | T | 89 | Confident | 83.7 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.9 | -52 | 170.7 | -46.7 | 0 | 0 | 0 | 0 | 111.1 | N122 V128 V129 D130 | N122-T126 PolarHBondContact O-N 3.17Å; N122-T126 PolarHBondContact O-OG1 3.16Å; T126-V128 PolarHBondContact O-N 3.15Å; T126-V129 CarbonylContact O-C 3.6Å; T126-V129 WeakPolarHBondContact O-CA 3.5Å; T126-V129 PolarHBondContact O-N 3.27Å; T126-D130 VanDerWaalsContact O-CG 3.31Å; T126-D130 PolarHBondContact O-N 3.4Å |
| 127 | S | 89.1 | Confident | 84.6 | Confident | 31 Ų | 31 | 63 Ų | 63 | 22% | 0.217 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -29.4 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | D123 F124 L131 | D123-S127 WeakPolarHBondContact O-CB 3.48Å; D123-S127 PolarHBondContact O-N 2.75Å; D123-S127 PolarHBondContact O-OG 3.04Å; F124-S127 PolarHBondContact O-N 3.26Å; S127-L131 WeakPolarHBondContact O-CB 3.45Å; S127-L131 PolarHBondContact O-N 3.47Å |
| 128 | V | 91.3 | Very high | 85 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.6 | -39.3 | 173.4 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | L99 F124 L125 T126 L131 I132 L167 V171 I184 | L99-V128 HydrophobicContact CD1-CG2 4.44Å; L99-V128 HydrophobicContact CD2-CG2 3.71Å; F124-V128 HydrophobicContact CD1-CG2 4.36Å; F124-V128 HydrophobicContact CE1-CG2 4.09Å; F124-V128 HydrophobicContact CZ-CG2 4.34Å; F124-V128 WeakPolarHBondContact O-CG2 3.24Å; F124-V128 PolarHBondContact O-N 3.02Å; L125-V128 PolarHBondContact O-N 3.08Å; T126-V128 PolarHBondContact O-N 3.15Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 PolarHBondContact O-N 3.21Å; V128-I132 HydrophobicContact CG1-CD1 3.9Å; V128-I132 WeakPolarHBondContact O-CG1 3.44Å; V128-I132 PolarHBondContact O-N 2.91Å; V128-L167 HydrophobicContact CG1-CD1 3.87Å; V128-L167 HydrophobicContact CG1-CD2 4.08Å; V128-L167 HydrophobicContact CG1-CG 3.82Å; V128-L167 HydrophobicContact CG2-CD1 4.24Å; V128-V171 HydrophobicContact CG1-CG2 4.09Å; V128-V171 HydrophobicContact CG2-CG2 4.44Å; V128-I184 HydrophobicContact CG2-CD1 4.42Å |
| 129 | V | 90 | Very high | 85.6 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L125 T126 L131 I132 G133 | L125-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 3.42Å; T126-V129 CarbonylContact O-C 3.6Å; T126-V129 WeakPolarHBondContact O-CA 3.5Å; T126-V129 PolarHBondContact O-N 3.27Å; V129-L131 VanDerWaalsContact C-N 3.27Å; V129-L131 PolarHBondContact O-N 3.09Å; V129-I132 CarbonylContact O-C 3.58Å; V129-I132 PolarHBondContact O-N 3.04Å; V129-G133 PolarHBondContact O-N 3.34Å |
| 130 | D | 88.2 | Confident | 85.6 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 173.9 | -67.5 | -32 | 0 | 0 | 0 | 112 | T126 G133 A134 | T126-D130 VanDerWaalsContact O-CG 3.31Å; T126-D130 PolarHBondContact O-N 3.4Å; D130-G133 PolarHBondContact O-N 2.77Å; D130-A134 PolarHBondContact O-N 3.25Å |
| 131 | L | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.9 | -176.7 | 59.3 | 0 | 0 | 0 | 112 | L92 S95 A96 L99 S127 V128 V129 G133 A135 L167 C188 L191 | L92-L131 HydrophobicContact CD1-CD1 3.72Å; S95-L131 VanDerWaalsContact OG-CA 3.31Å; S95-L131 WeakPolarHBondContact OG-CA 3.32Å; S95-L131 PolarHBondContact OG-N 3.17Å; A96-L131 HydrophobicContact CB-CD1 3.9Å; L99-L131 HydrophobicContact CD2-CD2 3.76Å; S127-L131 WeakPolarHBondContact O-CB 3.45Å; S127-L131 PolarHBondContact O-N 3.47Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 PolarHBondContact O-N 3.21Å; V129-L131 VanDerWaalsContact C-N 3.27Å; V129-L131 PolarHBondContact O-N 3.09Å; L131-G133 VanDerWaalsContact C-N 3.34Å; L131-A135 WeakPolarHBondContact O-CB 3.13Å; L131-A135 PolarHBondContact O-N 3.39Å; L131-L167 HydrophobicContact CD2-CD2 3.82Å; L131-L167 HydrophobicContact CG-CD2 4.2Å; L131-C188 VanDerWaalsContact CD2-SG 3.6Å; L131-L191 HydrophobicContact CD1-CD2 3.86Å; L131-L191 HydrophobicContact CD2-CD2 4.22Å; L131-L191 HydrophobicContact CG-CD2 4.11Å |
| 132 | I | 89.9 | Confident | 84.9 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 18% | 0.179 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 174.8 | -67.9 | 167.5 | 0 | 0 | 0 | 110.6 | V128 V129 A135 K136 L167 | V128-I132 HydrophobicContact CG1-CD1 3.9Å; V128-I132 WeakPolarHBondContact O-CG1 3.44Å; V128-I132 PolarHBondContact O-N 2.91Å; V129-I132 CarbonylContact O-C 3.58Å; V129-I132 PolarHBondContact O-N 3.04Å; I132-A135 PolarHBondContact O-N 2.97Å; I132-K136 WeakPolarHBondContact O-CG 3.04Å; I132-K136 PolarHBondContact O-N 2.87Å; I132-L167 HydrophobicContact CD1-CD2 4.21Å; I132-L167 HydrophobicContact CD1-CG 4.32Å; I132-L167 HydrophobicContact CG1-CD2 3.8Å; I132-L167 HydrophobicContact CG1-CG 4.42Å |
| 133 | G | 85.6 | Confident | 84.2 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.7 | -51.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V129 D130 L131 A135 K136 S137 | V129-G133 PolarHBondContact O-N 3.34Å; D130-G133 PolarHBondContact O-N 2.77Å; L131-G133 VanDerWaalsContact C-N 3.34Å; G133-A135 PolarHBondContact O-N 2.87Å; G133-K136 WeakPolarHBondContact O-CB 3.43Å; G133-K136 PolarHBondContact O-N 3.42Å; G133-S137 PolarHBondContact O-N 2.94Å; G133-S137 VanDerWaalsContact O-N 3.09Å; G133-S137 PolarHBondContact O-OG 3.49Å |
| 134 | A | 87.1 | Confident | 83.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K91 L92 D130 L138 | K91-A134 HydrophobicContact CG-CB 4.38Å; L92-A134 HydrophobicContact CB-CB 4.33Å; L92-A134 HydrophobicContact CD1-CB 3.96Å; D130-A134 PolarHBondContact O-N 3.25Å; A134-L138 PolarHBondContact O-N 3.43Å |
| 135 | A | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.3 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L92 L131 I132 G133 S137 L138 L139 V160 C164 | L92-A135 HydrophobicContact CD1-CB 3.82Å; L92-A135 HydrophobicContact CD2-CB 4.28Å; L131-A135 WeakPolarHBondContact O-CB 3.13Å; L131-A135 PolarHBondContact O-N 3.39Å; I132-A135 PolarHBondContact O-N 2.97Å; G133-A135 PolarHBondContact O-N 2.87Å; A135-S137 VanDerWaalsContact C-N 3.32Å; A135-S137 PolarHBondContact O-N 2.64Å; A135-L138 PolarHBondContact O-N 2.78Å; A135-L139 WeakPolarHBondContact O-CB 3.47Å; A135-L139 VanDerWaalsContact O-CG 3.28Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 3.48Å; A135-V160 HydrophobicContact CB-CG1 4.18Å; A135-C164 WeakPolarHBondContact CB-SG 3.4Å |
| 136 | K | 84.4 | Confident | 80.5 | Confident | 145 Ų | 145 | 40.9 Ų | 40.9 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -55.8 | -45.1 | 171.9 | -77 | 175.4 | 176.7 | -176.9 | 0 | 111 | I132 G133 L138 L139 A140 | I132-K136 WeakPolarHBondContact O-CG 3.04Å; I132-K136 PolarHBondContact O-N 2.87Å; G133-K136 WeakPolarHBondContact O-CB 3.43Å; G133-K136 PolarHBondContact O-N 3.42Å; K136-L138 PolarHBondContact O-N 2.94Å; K136-L139 PolarHBondContact O-N 3.41Å; K136-A140 VanDerWaalsContact O-CB 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.47Å; K136-A140 PolarHBondContact O-N 2.83Å |
| 137 | S | 79.3 | Confident | 79.5 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | G133 A135 A140 W141 | G133-S137 PolarHBondContact O-N 2.94Å; G133-S137 VanDerWaalsContact O-N 3.09Å; G133-S137 PolarHBondContact O-OG 3.49Å; A135-S137 VanDerWaalsContact C-N 3.32Å; A135-S137 PolarHBondContact O-N 2.64Å; S137-A140 PolarHBondContact O-N 2.85Å; S137-W141 PolarHBondContact O-N 2.96Å |
| 138 | L | 81.9 | Confident | 78 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 177 | -174.9 | 68.3 | 0 | 0 | 0 | 112.1 | L85 L88 L92 A134 A135 K136 W141 L142 I198 | L85-L138 HydrophobicContact CD1-CD1 3.65Å; L85-L138 HydrophobicContact CG-CD1 4.16Å; L88-L138 HydrophobicContact CB-CD1 3.87Å; L92-L138 HydrophobicContact CD2-CB 4.29Å; L92-L138 HydrophobicContact CD2-CD2 3.45Å; L92-L138 VanDerWaalsContact CD2-CD2 3.45Å; A134-L138 PolarHBondContact O-N 3.43Å; A135-L138 PolarHBondContact O-N 2.78Å; K136-L138 PolarHBondContact O-N 2.94Å; L138-W141 WeakPolarHBondContact O-CB 3.39Å; L138-W141 PolarHBondContact O-N 3.42Å; L138-L142 HydrophobicContact CD2-CD1 4.48Å; L138-L142 HydrophobicContact CG-CD1 4.07Å; L138-L142 WeakPolarHBondContact O-CG 3.35Å; L138-L142 PolarHBondContact O-N 3.5Å; L138-I198 HydrophobicContact CD2-CD1 3.92Å |
| 139 | L | 81.1 | Confident | 76.6 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.3 | -74.3 | 175.5 | 0 | 0 | 0 | 112 | A135 K136 W141 L142 D143 R157 V160 I161 | A135-L139 WeakPolarHBondContact O-CB 3.47Å; A135-L139 VanDerWaalsContact O-CG 3.28Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 3.48Å; K136-L139 PolarHBondContact O-N 3.41Å; L139-W141 PolarHBondContact O-N 3.47Å; L139-W141 VanDerWaalsContact O-N 3.13Å; L139-L142 PolarHBondContact O-N 2.85Å; L139-D143 WeakPolarHBondContact O-CB 3.29Å; L139-D143 PolarHBondContact O-N 2.92Å; L139-R157 HydrophobicContact CD2-CB 4.42Å; L139-R157 HydrophobicContact CD2-CG 3.59Å; L139-R157 WeakPolarHBondContact CD2-O 3.28Å; L139-V160 HydrophobicContact CD1-CG1 4.06Å; L139-V160 HydrophobicContact CD2-CB 3.87Å; L139-V160 HydrophobicContact CD2-CG1 3.82Å; L139-V160 HydrophobicContact CG-CB 4.42Å; L139-V160 HydrophobicContact CG-CG1 3.81Å; L139-I161 HydrophobicContact CD1-CG1 3.76Å; L139-I161 HydrophobicContact CD2-CD1 4.32Å; L139-I161 HydrophobicContact CD2-CG1 3.66Å; L139-I161 HydrophobicContact CG-CG1 4.36Å |
| 140 | A | 74.8 | Confident | 75.7 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -22.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | K136 S137 R144 | K136-A140 VanDerWaalsContact O-CB 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.47Å; K136-A140 PolarHBondContact O-N 2.83Å; S137-A140 PolarHBondContact O-N 2.85Å; A140-R144 WeakPolarHBondContact O-CD 3.5Å; A140-R144 PolarHBondContact O-NE 2.86Å |
| 141 | W | 74.4 | Confident | 74.9 | Confident | 25 Ų | 25 | 40 Ų | 40 | 10% | 0.095 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -83.6 | -45.9 | 169.6 | -86.9 | 69.1 | 0 | 0 | 0 | 112.5 | E83 L85 L88 S137 L138 L139 D143 R144 F147 A211 P297 | E83-W141 HydrophobicContact CB-CZ2 3.61Å; E83-W141 VanDerWaalsContact O-CH2 3.24Å; E83-W141 WeakPolarHBondContact O-CH2 3.26Å; E83-W141 WeakPolarHBondContact O-CZ2 3.47Å; E83-W141 PolarHBondContact OE2-NE1 2.94Å; E83-W141 VanDerWaalsContact OE2-NE1 3.14Å; L85-W141 HydrophobicContact CD1-CB 4.11Å; L88-W141 HydrophobicContact CD1-CB 4.3Å; L88-W141 HydrophobicContact CD1-CD2 3.92Å; L88-W141 HydrophobicContact CD1-CG 3.62Å; S137-W141 PolarHBondContact O-N 2.96Å; L138-W141 WeakPolarHBondContact O-CB 3.39Å; L138-W141 PolarHBondContact O-N 3.42Å; L139-W141 PolarHBondContact O-N 3.47Å; L139-W141 VanDerWaalsContact O-N 3.13Å; W141-D143 VanDerWaalsContact C-N 3.33Å; W141-D143 PolarHBondContact O-N 2.78Å; W141-R144 PolarHBondContact O-N 2.88Å; W141-F147 HydrophobicContact CE3-CE2 4.31Å; W141-A211 HydrophobicContact CH2-CB 4.02Å; W141-A211 HydrophobicContact CZ2-CB 4Å; W141-P297 HydrophobicContact CZ3-CG 3.91Å |
| 142 | L | 73.9 | Confident | 74 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -25.8 | -179.4 | -68.6 | 171.8 | 0 | 0 | 0 | 114.3 | L85 L138 L139 R144 F147 Y153 T156 R157 | L85-L142 HydrophobicContact CD1-CD2 3.9Å; L85-L142 HydrophobicContact CD1-CG 4.16Å; L85-L142 HydrophobicContact CD2-CD2 4.29Å; L138-L142 HydrophobicContact CD2-CD1 4.48Å; L138-L142 HydrophobicContact CG-CD1 4.07Å; L138-L142 WeakPolarHBondContact O-CG 3.35Å; L138-L142 PolarHBondContact O-N 3.5Å; L139-L142 PolarHBondContact O-N 2.85Å; L142-R144 PolarHBondContact O-N 2.99Å; L142-F147 HydrophobicContact CD2-CB 4.39Å; L142-Y153 HydrophobicContact CD2-CD1 3.98Å; L142-Y153 HydrophobicContact CD2-CG 4.38Å; L142-T156 HydrophobicContact CD1-CG2 4.13Å; L142-R157 HydrophobicContact CB-CB 3.95Å; L142-R157 HydrophobicContact CB-CG 3.93Å; L142-R157 HydrophobicContact CD1-CB 4.19Å |
| 143 | D | 69.9 | Low | 73.3 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 0.2 | 177.7 | -104.1 | -45.4 | 0 | 0 | 0 | 114.3 | L139 W141 R157 | L139-D143 WeakPolarHBondContact O-CB 3.29Å; L139-D143 PolarHBondContact O-N 2.92Å; W141-D143 VanDerWaalsContact C-N 3.33Å; W141-D143 PolarHBondContact O-N 2.78Å; D143-R157 VanDerWaalsContact OD1-CD 3.26Å; D143-R157 WeakPolarHBondContact OD1-CD 3.13Å; D143-R157 IonicContact OD1-CZ 3.79Å; D143-R157 IonicContact OD1-NE 3.73Å; D143-R157 IonicContact OD1-NH1 3.38Å; D143-R157 PolarHBondContact OD1-NH1 3.19Å |
| 144 | R | 66.9 | Low | 73 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 18% | 0.181 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -119.4 | 153.1 | -173.3 | -51.9 | -170.9 | -160 | -159.4 | 22.4 | 112.6 | A140 W141 L142 F147 A148 E261 | A140-R144 WeakPolarHBondContact O-CD 3.5Å; A140-R144 PolarHBondContact O-NE 2.86Å; W141-R144 PolarHBondContact O-N 2.88Å; L142-R144 PolarHBondContact O-N 2.99Å; R144-F147 PolarHBondContact O-N 3.07Å; R144-A148 WeakPolarHBondContact O-CB 3.28Å; R144-A148 PolarHBondContact O-N 2.91Å; R144-E261 IonicContact CZ-OE1 2.87Å; R144-E261 VanDerWaalsContact NH1-CG 3.32Å; R144-E261 IonicContact NH1-OE1 2.78Å; R144-E261 PolarHBondContact NH1-OE1 2.82Å; R144-E261 IonicContact NH2-OE1 2.81Å; R144-E261 PolarHBondContact NH2-OE1 3.12Å |
| 145 | S | 54.9 | Low | 72.8 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 141 | 165.7 | 172 | 0 | 0 | 0 | 0 | 110 | R296 | S145-R296 VanDerWaalsContact C-NH1 3.34Å; S145-R296 VanDerWaalsContact O-CD 3.29Å; S145-R296 WeakPolarHBondContact O-CD 3.46Å; S145-R296 PolarHBondContact O-NH1 3.18Å; S145-R296 PolarHBondContact OG-NH1 2.81Å |
| 146 | P | 60.1 | Low | 72.5 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -79.2 | -24 | 1.5 | 31.3 | -34.4 | 0 | 0 | 0 | 113.8 | A148 A149 V150 L206 | P146-A148 VanDerWaalsContact C-N 3.32Å; P146-A148 PolarHBondContact O-N 3.06Å; P146-A149 WeakPolarHBondContact O-CB 3.34Å; P146-A149 PolarHBondContact O-N 3.06Å; P146-V150 PolarHBondContact O-N 3.41Å; P146-L206 HydrophobicContact CG-CD1 4.07Å; P146-L206 HydrophobicContact CG-CD2 4.03Å |
| 147 | F | 67.2 | Low | 72.5 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -55.1 | -41.5 | -173 | -52.2 | -72.2 | 0 | 0 | 0 | 113.6 | L85 W141 L142 R144 A149 V150 Y153 L206 P297 | L85-F147 HydrophobicContact CD2-CD1 4.39Å; L85-F147 HydrophobicContact CD2-CE1 4.06Å; W141-F147 HydrophobicContact CE3-CE2 4.31Å; L142-F147 HydrophobicContact CD2-CB 4.39Å; R144-F147 PolarHBondContact O-N 3.07Å; F147-A149 PolarHBondContact O-N 3.22Å; F147-V150 PolarHBondContact O-N 2.93Å; F147-Y153 HydrophobicContact CB-CG 4.36Å; F147-Y153 HydrophobicContact CD1-CD1 4.31Å; F147-Y153 AromaticContact CD1-CD2 3.8Å; F147-Y153 HydrophobicContact CD1-CD2 3.8Å; F147-Y153 HydrophobicContact CD1-CE1 4.44Å; F147-Y153 AromaticContact CD1-CE2 3.94Å; F147-Y153 HydrophobicContact CD1-CE2 3.94Å; F147-Y153 HydrophobicContact CD1-CG 4Å; F147-Y153 HydrophobicContact CE1-CE2 4.39Å; F147-L206 HydrophobicContact CE1-CB 3.85Å; F147-L206 HydrophobicContact CZ-CB 4.09Å; F147-L206 WeakPolarHBondContact CZ-O 3.36Å; F147-P297 HydrophobicContact CE2-CG 4.36Å; F147-P297 HydrophobicContact CZ-CG 4.35Å |
| 148 | A | 58.8 | Low | 72.9 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -67.1 | -11.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | R144 P146 | R144-A148 WeakPolarHBondContact O-CB 3.28Å; R144-A148 PolarHBondContact O-N 2.91Å; P146-A148 VanDerWaalsContact C-N 3.32Å; P146-A148 PolarHBondContact O-N 3.06Å |
| 149 | A | 60.9 | Low | 73.2 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 72% | 0.719 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -97.6 | -10.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P146 F147 | P146-A149 WeakPolarHBondContact O-CB 3.34Å; P146-A149 PolarHBondContact O-N 3.06Å; F147-A149 PolarHBondContact O-N 3.22Å |
| 150 | V | 71.3 | Confident | 73.6 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -97.9 | 128.7 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | P146 F147 D152 Y153 S154 | P146-V150 PolarHBondContact O-N 3.41Å; F147-V150 PolarHBondContact O-N 2.93Å; V150-D152 VanDerWaalsContact C-N 3.31Å; V150-D152 PolarHBondContact O-N 2.6Å; V150-Y153 HydrophobicContact CB-CD2 3.89Å; V150-Y153 HydrophobicContact CG1-CD2 3.68Å; V150-Y153 HydrophobicContact CG1-CE2 4.26Å; V150-S154 PolarHBondContact O-N 2.96Å; V150-S154 VanDerWaalsContact O-N 3.13Å |
| 151 | T | 71.1 | Confident | 74.4 | Confident | 98 Ų | 98 | 48.2 Ų | 48.2 | 60% | 0.601 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.9 | -44.2 | -173.9 | 41.7 | 0 | 0 | 0 | 0 | 112.9 | S154 V155 | T151-S154 WeakPolarHBondContact O-CA 3.49Å; T151-S154 WeakPolarHBondContact O-CB 3.38Å; T151-S154 PolarHBondContact O-N 3.48Å; T151-S154 VanDerWaalsContact O-N 3.09Å; T151-S154 PolarHBondContact O-OG 2.88Å; T151-V155 PolarHBondContact O-N 3.35Å |
| 152 | D | 72.6 | Confident | 75.1 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 57% | 0.567 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -75.9 | -42.1 | -164.6 | -47.8 | -13.9 | 0 | 0 | 0 | 110.4 | V150 S154 V155 T156 | V150-D152 VanDerWaalsContact C-N 3.31Å; V150-D152 PolarHBondContact O-N 2.6Å; D152-S154 VanDerWaalsContact C-N 3.28Å; D152-S154 PolarHBondContact O-N 3.39Å; D152-V155 PolarHBondContact O-N 3Å; D152-T156 PolarHBondContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 3.27Å |
| 153 | Y | 75.6 | Confident | 76 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 168.6 | -65.7 | -61.9 | 0 | 0 | 0 | 112.3 | L85 L142 F147 V150 T156 R157 L201 D204 V207 | L85-Y153 HydrophobicContact CD2-CD1 4.28Å; L85-Y153 HydrophobicContact CD2-CE1 3.86Å; L142-Y153 HydrophobicContact CD2-CD1 3.98Å; L142-Y153 HydrophobicContact CD2-CG 4.38Å; F147-Y153 HydrophobicContact CB-CG 4.36Å; F147-Y153 HydrophobicContact CD1-CD1 4.31Å; F147-Y153 AromaticContact CD1-CD2 3.8Å; F147-Y153 HydrophobicContact CD1-CD2 3.8Å; F147-Y153 HydrophobicContact CD1-CE1 4.44Å; F147-Y153 AromaticContact CD1-CE2 3.94Å; F147-Y153 HydrophobicContact CD1-CE2 3.94Å; F147-Y153 HydrophobicContact CD1-CG 4Å; F147-Y153 HydrophobicContact CE1-CE2 4.39Å; V150-Y153 HydrophobicContact CB-CD2 3.89Å; V150-Y153 HydrophobicContact CG1-CD2 3.68Å; V150-Y153 HydrophobicContact CG1-CE2 4.26Å; Y153-T156 PolarHBondContact O-N 3.05Å; Y153-R157 WeakPolarHBondContact O-CB 3.47Å; Y153-R157 PolarHBondContact O-N 3.36Å; Y153-L201 HydrophobicContact CE1-CD1 4.2Å; Y153-D204 PolarHBondContact OH-OD2 3.37Å; Y153-V207 HydrophobicContact CE1-CG2 4.42Å; Y153-V207 WeakPolarHBondContact OH-CG2 3.38Å |
| 154 | S | 78.6 | Confident | 77 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 176.2 | 87.6 | 0 | 0 | 0 | 0 | 113.1 | V150 T151 D152 N158 | V150-S154 PolarHBondContact O-N 2.96Å; V150-S154 VanDerWaalsContact O-N 3.13Å; T151-S154 WeakPolarHBondContact O-CA 3.49Å; T151-S154 WeakPolarHBondContact O-CB 3.38Å; T151-S154 PolarHBondContact O-N 3.48Å; T151-S154 VanDerWaalsContact O-N 3.09Å; T151-S154 PolarHBondContact O-OG 2.88Å; D152-S154 VanDerWaalsContact C-N 3.28Å; D152-S154 PolarHBondContact O-N 3.39Å; S154-N158 PolarHBondContact O-N 3.38Å; S154-N158 PolarHBondContact O-ND2 3.39Å; S154-N158 PolarHBondContact O-OD1 2.85Å |
| 155 | V | 82.1 | Confident | 78.2 | Confident | 98 Ų | 98 | 53 Ų | 53 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.3 | -48.1 | 173.4 | 175 | 0 | 0 | 0 | 0 | 109.9 | T151 D152 R157 N158 N159 | T151-V155 PolarHBondContact O-N 3.35Å; D152-V155 PolarHBondContact O-N 3Å; V155-R157 VanDerWaalsContact C-N 3.34Å; V155-R157 PolarHBondContact O-N 2.97Å; V155-N158 PolarHBondContact O-N 2.94Å; V155-N159 PolarHBondContact O-N 2.76Å |
| 156 | T | 82.8 | Confident | 79.9 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.5 | -47.9 | 174.3 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | L142 D152 Y153 N159 V160 V194 I198 | L142-T156 HydrophobicContact CD1-CG2 4.13Å; D152-T156 PolarHBondContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 3.27Å; Y153-T156 PolarHBondContact O-N 3.05Å; T156-N159 PolarHBondContact O-N 2.84Å; T156-V160 WeakPolarHBondContact O-CG2 3.44Å; T156-V160 PolarHBondContact O-N 3.06Å; T156-V194 HydrophobicContact CG2-CG1 3.81Å; T156-I198 HydrophobicContact CG2-CD1 3.66Å; T156-I198 HydrophobicContact CG2-CG1 3.93Å |
| 157 | R | 84.9 | Confident | 81.4 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -50.2 | 175.9 | -173.9 | -158.1 | 61.2 | -172.3 | -11.1 | 111.9 | L139 L142 D143 Y153 V155 N159 V160 I161 | L139-R157 HydrophobicContact CD2-CB 4.42Å; L139-R157 HydrophobicContact CD2-CG 3.59Å; L139-R157 WeakPolarHBondContact CD2-O 3.28Å; L142-R157 HydrophobicContact CB-CB 3.95Å; L142-R157 HydrophobicContact CB-CG 3.93Å; L142-R157 HydrophobicContact CD1-CB 4.19Å; D143-R157 VanDerWaalsContact OD1-CD 3.26Å; D143-R157 WeakPolarHBondContact OD1-CD 3.13Å; D143-R157 IonicContact OD1-CZ 3.79Å; D143-R157 IonicContact OD1-NE 3.73Å; D143-R157 IonicContact OD1-NH1 3.38Å; D143-R157 PolarHBondContact OD1-NH1 3.19Å; Y153-R157 WeakPolarHBondContact O-CB 3.47Å; Y153-R157 PolarHBondContact O-N 3.36Å; V155-R157 VanDerWaalsContact C-N 3.34Å; V155-R157 PolarHBondContact O-N 2.97Å; R157-N159 VanDerWaalsContact C-N 3.27Å; R157-N159 PolarHBondContact O-N 3.48Å; R157-V160 PolarHBondContact O-N 3.34Å; R157-I161 HydrophobicContact CG-CD1 4.02Å; R157-I161 WeakPolarHBondContact O-CG1 3.16Å; R157-I161 PolarHBondContact O-N 3.47Å |
| 158 | N | 87.5 | Confident | 82.5 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | -178 | -63.4 | -14.2 | 0 | 0 | 0 | 111.5 | S154 V155 I161 Q162 | S154-N158 PolarHBondContact O-N 3.38Å; S154-N158 PolarHBondContact O-ND2 3.39Å; S154-N158 PolarHBondContact O-OD1 2.85Å; V155-N158 PolarHBondContact O-N 2.94Å; N158-I161 PolarHBondContact O-N 3.23Å; N158-Q162 WeakPolarHBondContact O-CB 3.38Å; N158-Q162 PolarHBondContact O-N 3.41Å |
| 159 | N | 88.4 | Confident | 84 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 174.8 | -168.9 | 9.4 | 0 | 0 | 0 | 111.7 | V155 T156 R157 I161 Q162 L163 V194 | V155-N159 PolarHBondContact O-N 2.76Å; T156-N159 PolarHBondContact O-N 2.84Å; R157-N159 VanDerWaalsContact C-N 3.27Å; R157-N159 PolarHBondContact O-N 3.48Å; N159-I161 VanDerWaalsContact C-N 3.35Å; N159-I161 PolarHBondContact O-N 2.97Å; N159-Q162 PolarHBondContact O-N 3.14Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; N159-L163 VanDerWaalsContact O-CG 3.31Å; N159-L163 WeakPolarHBondContact O-CG 3.45Å; N159-L163 PolarHBondContact O-N 3.07Å; N159-V194 WeakPolarHBondContact ND2-CG2 3.43Å |
| 160 | V | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.1 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | A135 L139 T156 R157 Q162 L163 C164 L191 V194 | A135-V160 HydrophobicContact CB-CG1 4.18Å; L139-V160 HydrophobicContact CD1-CG1 4.06Å; L139-V160 HydrophobicContact CD2-CB 3.87Å; L139-V160 HydrophobicContact CD2-CG1 3.82Å; L139-V160 HydrophobicContact CG-CB 4.42Å; L139-V160 HydrophobicContact CG-CG1 3.81Å; T156-V160 WeakPolarHBondContact O-CG2 3.44Å; T156-V160 PolarHBondContact O-N 3.06Å; R157-V160 PolarHBondContact O-N 3.34Å; V160-Q162 PolarHBondContact O-N 3.06Å; V160-L163 PolarHBondContact O-N 3.16Å; V160-C164 WeakPolarHBondContact O-CB 3.4Å; V160-C164 PolarHBondContact O-N 3.13Å; V160-C164 PolarHBondContact O-SG 2.73Å; V160-L191 HydrophobicContact CG1-CD1 4.19Å; V160-L191 HydrophobicContact CG2-CD1 4.1Å; V160-V194 HydrophobicContact CG2-CG1 3.81Å |
| 161 | I | 90.3 | Very high | 86.1 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 172.8 | -68.1 | 167 | 0 | 0 | 0 | 110.7 | L139 R157 N158 N159 C164 L165 | L139-I161 HydrophobicContact CD1-CG1 3.76Å; L139-I161 HydrophobicContact CD2-CD1 4.32Å; L139-I161 HydrophobicContact CD2-CG1 3.66Å; L139-I161 HydrophobicContact CG-CG1 4.36Å; R157-I161 HydrophobicContact CG-CD1 4.02Å; R157-I161 WeakPolarHBondContact O-CG1 3.16Å; R157-I161 PolarHBondContact O-N 3.47Å; N158-I161 PolarHBondContact O-N 3.23Å; N159-I161 VanDerWaalsContact C-N 3.35Å; N159-I161 PolarHBondContact O-N 2.97Å; I161-C164 PolarHBondContact O-N 3.03Å; I161-L165 HydrophobicContact CG2-CD1 3.93Å; I161-L165 HydrophobicContact CG2-CG 4.49Å; I161-L165 WeakPolarHBondContact O-CG 3.38Å; I161-L165 PolarHBondContact O-N 3.22Å |
| 162 | Q | 90.9 | Very high | 86.8 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.4 | -46 | 179.6 | -178.9 | 173.5 | -29 | 0 | 0 | 111.8 | N158 N159 V160 C164 L165 E166 | N158-Q162 WeakPolarHBondContact O-CB 3.38Å; N158-Q162 PolarHBondContact O-N 3.41Å; N159-Q162 PolarHBondContact O-N 3.14Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; V160-Q162 PolarHBondContact O-N 3.06Å; Q162-C164 PolarHBondContact O-N 3.11Å; Q162-L165 PolarHBondContact O-N 2.99Å; Q162-E166 WeakPolarHBondContact O-CB 3.26Å; Q162-E166 PolarHBondContact O-N 3.25Å |
| 163 | L | 91.9 | Very high | 87.3 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 178.6 | -69.5 | 167 | 0 | 0 | 0 | 112.5 | N159 V160 E166 L167 V187 T190 L191 | N159-L163 VanDerWaalsContact O-CG 3.31Å; N159-L163 WeakPolarHBondContact O-CG 3.45Å; N159-L163 PolarHBondContact O-N 3.07Å; V160-L163 PolarHBondContact O-N 3.16Å; L163-E166 PolarHBondContact O-N 3.15Å; L163-L167 VanDerWaalsContact O-CB 3.24Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 PolarHBondContact O-N 3.14Å; L163-V187 HydrophobicContact CB-CG1 4.07Å; L163-V187 HydrophobicContact CD2-CG1 4.04Å; L163-T190 HydrophobicContact CD1-CG2 3.96Å; L163-T190 HydrophobicContact CD2-CG2 4.01Å; L163-L191 HydrophobicContact CD1-CB 4.31Å; L163-L191 HydrophobicContact CD1-CD1 4.13Å |
| 164 | C | 91.3 | Very high | 87.4 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 10% | 0.101 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 175.3 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | A135 V160 I161 Q162 T168 | A135-C164 WeakPolarHBondContact CB-SG 3.4Å; V160-C164 WeakPolarHBondContact O-CB 3.4Å; V160-C164 PolarHBondContact O-N 3.13Å; V160-C164 PolarHBondContact O-SG 2.73Å; I161-C164 PolarHBondContact O-N 3.03Å; Q162-C164 PolarHBondContact O-N 3.11Å; C164-T168 WeakPolarHBondContact O-CB 3.19Å; C164-T168 PolarHBondContact O-N 3.35Å; C164-T168 VanDerWaalsContact O-N 3.08Å; C164-T168 PolarHBondContact O-OG1 2.7Å |
| 165 | L | 91.3 | Very high | 87.5 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 172.3 | -70.5 | 171 | 0 | 0 | 0 | 110.7 | I161 Q162 T168 T169 | I161-L165 HydrophobicContact CG2-CD1 3.93Å; I161-L165 HydrophobicContact CG2-CG 4.49Å; I161-L165 WeakPolarHBondContact O-CG 3.38Å; I161-L165 PolarHBondContact O-N 3.22Å; Q162-L165 PolarHBondContact O-N 2.99Å; L165-T168 WeakPolarHBondContact O-CB 3.43Å; L165-T168 PolarHBondContact O-N 3.07Å; L165-T169 WeakPolarHBondContact O-CG2 3.34Å; L165-T169 PolarHBondContact O-N 3.11Å |
| 166 | E | 91.8 | Very high | 87.6 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.1 | -52.4 | 176.7 | -163.3 | -170.1 | 151.9 | 0 | 0 | 110.7 | Q162 L163 T168 T169 I170 V187 | Q162-E166 WeakPolarHBondContact O-CB 3.26Å; Q162-E166 PolarHBondContact O-N 3.25Å; L163-E166 PolarHBondContact O-N 3.15Å; E166-T168 VanDerWaalsContact C-N 3.28Å; E166-T168 PolarHBondContact O-N 3.37Å; E166-T169 CarbonylContact O-C 3.49Å; E166-T169 PolarHBondContact O-N 2.94Å; E166-T169 PolarHBondContact O-OG1 3.31Å; E166-I170 HydrophobicContact CG-CD1 3.84Å; E166-I170 HydrophobicContact CG-CG1 4.38Å; E166-I170 WeakPolarHBondContact O-CD1 3.27Å; E166-I170 VanDerWaalsContact O-CG1 3.26Å; E166-I170 WeakPolarHBondContact O-CG1 3.35Å; E166-I170 PolarHBondContact O-N 2.89Å; E166-V187 HydrophobicContact CB-CG2 4.45Å; E166-V187 HydrophobicContact CG-CG2 4.24Å |
| 167 | L | 91.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.2 | -46 | 174.4 | -179.8 | 54.9 | 0 | 0 | 0 | 112.6 | V128 L131 I132 L163 I170 V171 I184 V187 | V128-L167 HydrophobicContact CG1-CD1 3.87Å; V128-L167 HydrophobicContact CG1-CD2 4.08Å; V128-L167 HydrophobicContact CG1-CG 3.82Å; V128-L167 HydrophobicContact CG2-CD1 4.24Å; L131-L167 HydrophobicContact CD2-CD2 3.82Å; L131-L167 HydrophobicContact CG-CD2 4.2Å; I132-L167 HydrophobicContact CD1-CD2 4.21Å; I132-L167 HydrophobicContact CD1-CG 4.32Å; I132-L167 HydrophobicContact CG1-CD2 3.8Å; I132-L167 HydrophobicContact CG1-CG 4.42Å; L163-L167 VanDerWaalsContact O-CB 3.24Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 PolarHBondContact O-N 3.14Å; L167-I170 PolarHBondContact O-N 3.21Å; L167-V171 PolarHBondContact O-N 2.62Å; L167-I184 HydrophobicContact CD1-CB 4.41Å; L167-I184 HydrophobicContact CD1-CD1 3.93Å; L167-I184 HydrophobicContact CD1-CG1 3.69Å; L167-I184 HydrophobicContact CD1-CG2 4.01Å; L167-V187 HydrophobicContact CB-CG1 4.23Å |
| 168 | T | 90.3 | Very high | 87.7 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 31% | 0.307 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | C164 L165 E166 Q172 | C164-T168 WeakPolarHBondContact O-CB 3.19Å; C164-T168 PolarHBondContact O-N 3.35Å; C164-T168 VanDerWaalsContact O-N 3.08Å; C164-T168 PolarHBondContact O-OG1 2.7Å; L165-T168 WeakPolarHBondContact O-CB 3.43Å; L165-T168 PolarHBondContact O-N 3.07Å; E166-T168 VanDerWaalsContact C-N 3.28Å; E166-T168 PolarHBondContact O-N 3.37Å; T168-Q172 WeakPolarHBondContact O-CG 3.14Å; T168-Q172 PolarHBondContact O-N 3.04Å |
| 169 | T | 90.1 | Very high | 87.6 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | 177.6 | 63.9 | 0 | 0 | 0 | 0 | 113 | L165 E166 Q172 Q173 | L165-T169 WeakPolarHBondContact O-CG2 3.34Å; L165-T169 PolarHBondContact O-N 3.11Å; E166-T169 CarbonylContact O-C 3.49Å; E166-T169 PolarHBondContact O-N 2.94Å; E166-T169 PolarHBondContact O-OG1 3.31Å; T169-Q172 CarbonylContact O-C 3.48Å; T169-Q172 PolarHBondContact O-N 2.7Å; T169-Q173 VanDerWaalsContact O-CG 3.31Å; T169-Q173 WeakPolarHBondContact O-CG 3.49Å; T169-Q173 PolarHBondContact O-N 2.81Å; T169-Q173 VanDerWaalsContact O-N 3.14Å |
| 170 | I | 89 | Confident | 87.5 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 178.3 | -67.5 | 158.1 | 0 | 0 | 0 | 110.7 | E166 L167 Q172 Q173 T180 K183 I184 V187 | E166-I170 HydrophobicContact CG-CD1 3.84Å; E166-I170 HydrophobicContact CG-CG1 4.38Å; E166-I170 WeakPolarHBondContact O-CD1 3.27Å; E166-I170 VanDerWaalsContact O-CG1 3.26Å; E166-I170 WeakPolarHBondContact O-CG1 3.35Å; E166-I170 PolarHBondContact O-N 2.89Å; L167-I170 PolarHBondContact O-N 3.21Å; I170-Q172 PolarHBondContact O-N 3.27Å; I170-Q173 PolarHBondContact O-N 2.95Å; I170-T180 HydrophobicContact CG2-CG2 3.66Å; I170-K183 HydrophobicContact CD1-CB 3.72Å; I170-K183 HydrophobicContact CG1-CB 3.99Å; I170-K183 HydrophobicContact CG1-CD 4.21Å; I170-K183 HydrophobicContact CG2-CB 3.78Å; I170-K183 HydrophobicContact CG2-CD 4.04Å; I170-I184 HydrophobicContact CB-CG1 4.3Å; I170-I184 HydrophobicContact CD1-CG1 4.46Å; I170-I184 HydrophobicContact CG2-CD1 3.96Å; I170-I184 HydrophobicContact CG2-CG1 3.68Å; I170-V187 HydrophobicContact CD1-CG2 3.8Å |
| 171 | V | 87.1 | Confident | 87.5 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -23.8 | 175 | 172.1 | 0 | 0 | 0 | 0 | 112.4 | L120 L125 V128 L167 I184 | L120-V171 HydrophobicContact CD1-CG1 4.07Å; L125-V171 HydrophobicContact CD2-CG1 3.62Å; V128-V171 HydrophobicContact CG1-CG2 4.09Å; V128-V171 HydrophobicContact CG2-CG2 4.44Å; L167-V171 PolarHBondContact O-N 2.62Å; V171-I184 HydrophobicContact CG2-CD1 3.81Å |
| 172 | Q | 85.4 | Confident | 87.5 | Confident | 147 Ų | 147 | 55.5 Ų | 55.5 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 2.4 | 178.3 | -66.1 | 175.2 | 5.2 | 0 | 0 | 114.2 | T168 T169 I170 | T168-Q172 WeakPolarHBondContact O-CG 3.14Å; T168-Q172 PolarHBondContact O-N 3.04Å; T169-Q172 CarbonylContact O-C 3.48Å; T169-Q172 PolarHBondContact O-N 2.7Å; I170-Q172 PolarHBondContact O-N 3.27Å |
| 173 | Q | 84.3 | Confident | 87.5 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -89.8 | 129.7 | 179 | -83.2 | 164.7 | 36 | 0 | 0 | 112.2 | T169 I170 C175 | T169-Q173 VanDerWaalsContact O-CG 3.31Å; T169-Q173 WeakPolarHBondContact O-CG 3.49Å; T169-Q173 PolarHBondContact O-N 2.81Å; T169-Q173 VanDerWaalsContact O-N 3.14Å; I170-Q173 PolarHBondContact O-N 2.95Å; Q173-C175 PolarHBondContact O-N 3.43Å |
| 174 | D | 76.4 | Confident | 87.4 | Confident | 157 Ų | 157 | 52.5 Ų | 52.5 | 84% | 0.84 | 27% | 0.269 | S | S | * | . | trans | -68 | 72.6 | 171.4 | -74.8 | -58.7 | 0 | 0 | 0 | 112.5 | ||||
| 175 | C | 81.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 53 Ų | 53 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -130.9 | 173.4 | 173.6 | 55 | 0 | 0 | 0 | 0 | 111.6 | Q173 E179 T180 | Q173-C175 PolarHBondContact O-N 3.43Å; C175-E179 HydrophobicContact CB-CB 4.25Å; C175-T180 PolarHBondContact SG-OG1 3.21Å |
| 176 | T | 84.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | trans | -69.6 | 149.7 | 179.8 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | Y178 E179 T180 | T176-Y178 PolarHBondContact O-N 3.03Å; T176-Y178 VanDerWaalsContact O-N 3.08Å; T176-E179 WeakPolarHBondContact CB-OE2 3.46Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.44Å; T176-E179 PolarHBondContact N-OE2 3.4Å; T176-E179 WeakPolarHBondContact O-CB 3.27Å; T176-E179 PolarHBondContact O-N 3.27Å; T176-E179 VanDerWaalsContact OG1-CD 3.28Å; T176-E179 VanDerWaalsContact OG1-CG 3.29Å; T176-E179 WeakPolarHBondContact OG1-CG 3.14Å; T176-E179 PolarHBondContact OG1-N 2.87Å; T176-E179 PolarHBondContact OG1-OE2 3.39Å; T176-T180 PolarHBondContact O-N 3.03Å; T176-T180 PolarHBondContact O-OG1 3.35Å; T176-T180 VanDerWaalsContact O-OG1 3.1Å | ||
| 177 | V | 84.4 | Confident | 87.4 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.4 | -34.9 | 179.3 | 168 | 0 | 0 | 0 | 0 | 111.9 | G114 S117 K119 L120 E181 | G114-V177 PolarHBondContact O-N 2.98Å; S117-V177 WeakPolarHBondContact O-CG2 3.21Å; S117-V177 PolarHBondContact O-N 3.45Å; S117-V177 VanDerWaalsContact O-N 3.15Å; K119-V177 WeakPolarHBondContact O-CG2 3.49Å; L120-V177 HydrophobicContact CD2-CB 4.43Å; L120-V177 HydrophobicContact CD2-CG1 4.14Å; L120-V177 HydrophobicContact CD2-CG2 4.02Å; V177-E181 HydrophobicContact CG1-CG 4.35Å; V177-E181 VanDerWaalsContact O-CB 3.29Å; V177-E181 WeakPolarHBondContact O-CB 3.32Å; V177-E181 VanDerWaalsContact O-CG 3.3Å; V177-E181 WeakPolarHBondContact O-CG 3.28Å; V177-E181 PolarHBondContact O-N 3.36Å |
| 178 | Y | 84.6 | Confident | 87.5 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.9 | -178 | -103.6 | 0 | 0 | 0 | 113.5 | R107 Y112 G114 R115 T176 N182 | R107-Y178 PolarHBondContact NH2-O 3.44Å; Y112-Y178 AromaticContact CE1-CD2 3.94Å; Y112-Y178 HydrophobicContact CE1-CD2 3.94Å; Y112-Y178 WeakPolarHBondContact OH-CA 3.35Å; Y112-Y178 WeakPolarHBondContact OH-CD2 3.3Å; G114-Y178 VanDerWaalsContact O-CB 3.32Å; G114-Y178 WeakPolarHBondContact O-CB 3.42Å; G114-Y178 PolarHBondContact O-N 3.1Å; R115-Y178 HydrophobicContact CG-CG 4.37Å; T176-Y178 PolarHBondContact O-N 3.03Å; T176-Y178 VanDerWaalsContact O-N 3.08Å; Y178-N182 VanDerWaalsContact CE1-ND2 3.25Å; Y178-N182 WeakPolarHBondContact CE1-ND2 3.43Å; Y178-N182 WeakPolarHBondContact O-CB 3.49Å; Y178-N182 PolarHBondContact O-N 2.79Å; Y178-N182 PolarHBondContact O-ND2 3.35Å |
| 179 | E | 85.8 | Confident | 87.6 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 175.5 | -68.2 | 164.4 | 120.4 | 0 | 0 | 111.4 | C175 T176 N182 K183 | C175-E179 HydrophobicContact CB-CB 4.25Å; T176-E179 WeakPolarHBondContact CB-OE2 3.46Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.44Å; T176-E179 PolarHBondContact N-OE2 3.4Å; T176-E179 WeakPolarHBondContact O-CB 3.27Å; T176-E179 PolarHBondContact O-N 3.27Å; T176-E179 VanDerWaalsContact OG1-CD 3.28Å; T176-E179 VanDerWaalsContact OG1-CG 3.29Å; T176-E179 WeakPolarHBondContact OG1-CG 3.14Å; T176-E179 PolarHBondContact OG1-N 2.87Å; T176-E179 PolarHBondContact OG1-OE2 3.39Å; E179-N182 PolarHBondContact O-N 2.99Å; E179-N182 VanDerWaalsContact O-N 3.16Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.69Å |
| 180 | T | 86.9 | Confident | 87.7 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -48.7 | 175.2 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | L120 I170 C175 T176 N182 K183 I184 | L120-T180 HydrophobicContact CD1-CG2 4.17Å; L120-T180 HydrophobicContact CD2-CG2 4.06Å; I170-T180 HydrophobicContact CG2-CG2 3.66Å; C175-T180 PolarHBondContact SG-OG1 3.21Å; T176-T180 PolarHBondContact O-N 3.03Å; T176-T180 PolarHBondContact O-OG1 3.35Å; T176-T180 VanDerWaalsContact O-OG1 3.1Å; T180-N182 PolarHBondContact O-N 2.87Å; T180-K183 PolarHBondContact O-N 2.69Å; T180-I184 HydrophobicContact CG2-CD1 4.03Å; T180-I184 WeakPolarHBondContact O-CB 3.49Å; T180-I184 WeakPolarHBondContact O-CG1 3.39Å; T180-I184 PolarHBondContact O-N 2.89Å |
| 181 | E | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -37 | 174.3 | -79.7 | -174.7 | 160.2 | 0 | 0 | 113 | I103 R106 R107 Y112 F124 V177 I184 L185 | I103-E181 HydrophobicContact CD1-CG 4.48Å; I103-E181 HydrophobicContact CG1-CG 4.12Å; I103-E181 HydrophobicContact CG2-CB 3.94Å; I103-E181 HydrophobicContact CG2-CG 4.03Å; R106-E181 IonicContact CZ-OE1 3.16Å; R106-E181 IonicContact NE-OE1 2.75Å; R106-E181 PolarHBondContact NE-OE1 2.93Å; R106-E181 IonicContact NH2-OE1 2.85Å; R106-E181 PolarHBondContact NH2-OE1 3.42Å; R107-E181 IonicContact CZ-OE2 3.98Å; R107-E181 IonicContact NE-OE2 2.69Å; R107-E181 PolarHBondContact NE-OE2 3.09Å; R107-E181 IonicContact NH2-OE2 3.6Å; R107-E181 PolarHBondContact NH2-OE2 3.2Å; Y112-E181 PolarHBondContact OH-OE2 2.75Å; F124-E181 HydrophobicContact CE2-CG 4.22Å; F124-E181 HydrophobicContact CZ-CG 4.25Å; V177-E181 HydrophobicContact CG1-CG 4.35Å; V177-E181 VanDerWaalsContact O-CB 3.29Å; V177-E181 WeakPolarHBondContact O-CB 3.32Å; V177-E181 VanDerWaalsContact O-CG 3.3Å; V177-E181 WeakPolarHBondContact O-CG 3.28Å; V177-E181 PolarHBondContact O-N 3.36Å; E181-I184 PolarHBondContact O-N 2.84Å; E181-L185 WeakPolarHBondContact O-CB 3.26Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.44Å; E181-L185 PolarHBondContact O-N 3.16Å |
| 182 | N | 89.9 | Confident | 88 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 177.8 | -79.3 | -22.3 | 0 | 0 | 0 | 111.9 | R107 Y178 E179 T180 L185 H186 | R107-N182 VanDerWaalsContact CZ-OD1 3.29Å; R107-N182 PolarHBondContact NH1-OD1 3.43Å; R107-N182 PolarHBondContact NH2-OD1 3.24Å; Y178-N182 VanDerWaalsContact CE1-ND2 3.25Å; Y178-N182 WeakPolarHBondContact CE1-ND2 3.43Å; Y178-N182 WeakPolarHBondContact O-CB 3.49Å; Y178-N182 PolarHBondContact O-N 2.79Å; Y178-N182 PolarHBondContact O-ND2 3.35Å; E179-N182 PolarHBondContact O-N 2.99Å; E179-N182 VanDerWaalsContact O-N 3.16Å; T180-N182 PolarHBondContact O-N 2.87Å; N182-L185 PolarHBondContact O-N 2.88Å; N182-H186 PolarHBondContact O-N 2.99Å |
| 183 | K | 90.3 | Very high | 88.2 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 32% | 0.317 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.7 | -67 | 167.9 | -176.6 | 169.9 | 0 | 110.6 | I170 E179 T180 L185 H186 V187 | I170-K183 HydrophobicContact CD1-CB 3.72Å; I170-K183 HydrophobicContact CG1-CB 3.99Å; I170-K183 HydrophobicContact CG1-CD 4.21Å; I170-K183 HydrophobicContact CG2-CB 3.78Å; I170-K183 HydrophobicContact CG2-CD 4.04Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.69Å; T180-K183 PolarHBondContact O-N 2.69Å; K183-L185 PolarHBondContact O-N 2.67Å; K183-H186 WeakPolarHBondContact O-CB 3.06Å; K183-H186 PolarHBondContact O-N 3.2Å; K183-H186 VanDerWaalsContact O-N 3.08Å; K183-V187 PolarHBondContact O-N 3.08Å; K183-V187 VanDerWaalsContact O-N 3.08Å |
| 184 | I | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 177.8 | -69.8 | 174 | 0 | 0 | 0 | 112 | L99 I103 F124 V128 L167 I170 V171 T180 E181 H186 V187 C188 | L99-I184 HydrophobicContact CD2-CG2 3.81Å; L99-I184 HydrophobicContact CG-CG2 4.29Å; I103-I184 HydrophobicContact CD1-CG2 4.06Å; F124-I184 HydrophobicContact CE1-CD1 3.63Å; F124-I184 HydrophobicContact CZ-CB 4.44Å; F124-I184 HydrophobicContact CZ-CD1 3.54Å; F124-I184 HydrophobicContact CZ-CG2 4.19Å; V128-I184 HydrophobicContact CG2-CD1 4.42Å; L167-I184 HydrophobicContact CD1-CB 4.41Å; L167-I184 HydrophobicContact CD1-CD1 3.93Å; L167-I184 HydrophobicContact CD1-CG1 3.69Å; L167-I184 HydrophobicContact CD1-CG2 4.01Å; I170-I184 HydrophobicContact CB-CG1 4.3Å; I170-I184 HydrophobicContact CD1-CG1 4.46Å; I170-I184 HydrophobicContact CG2-CD1 3.96Å; I170-I184 HydrophobicContact CG2-CG1 3.68Å; V171-I184 HydrophobicContact CG2-CD1 3.81Å; T180-I184 HydrophobicContact CG2-CD1 4.03Å; T180-I184 WeakPolarHBondContact O-CB 3.49Å; T180-I184 WeakPolarHBondContact O-CG1 3.39Å; T180-I184 PolarHBondContact O-N 2.89Å; E181-I184 PolarHBondContact O-N 2.84Å; I184-H186 VanDerWaalsContact C-N 3.26Å; I184-H186 PolarHBondContact O-N 3.01Å; I184-V187 PolarHBondContact O-N 3.06Å; I184-C188 WeakPolarHBondContact O-CB 3.24Å; I184-C188 PolarHBondContact O-N 3.07Å; I184-C188 PolarHBondContact O-SG 3.48Å |
| 185 | L | 90.9 | Very high | 88.9 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -34.1 | 172 | -79.2 | 175 | 0 | 0 | 0 | 112.8 | Q100 I103 E181 N182 K183 K189 | Q100-L185 HydrophobicContact CB-CD2 4.12Å; Q100-L185 HydrophobicContact CG-CD2 3.84Å; I103-L185 HydrophobicContact CB-CD2 4.09Å; I103-L185 HydrophobicContact CB-CG 4.4Å; I103-L185 HydrophobicContact CD1-CD2 3.84Å; I103-L185 HydrophobicContact CD1-CG 3.87Å; I103-L185 HydrophobicContact CG2-CD1 3.71Å; I103-L185 HydrophobicContact CG2-CD2 4.02Å; I103-L185 HydrophobicContact CG2-CG 3.86Å; E181-L185 WeakPolarHBondContact O-CB 3.26Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.44Å; E181-L185 PolarHBondContact O-N 3.16Å; N182-L185 PolarHBondContact O-N 2.88Å; K183-L185 PolarHBondContact O-N 2.67Å; L185-K189 VanDerWaalsContact O-CG 3.27Å; L185-K189 WeakPolarHBondContact O-CG 3.28Å; L185-K189 PolarHBondContact O-N 3.31Å |
| 186 | H | 91.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 38.3 Ų | 38.3 | 54% | 0.537 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69 | -50.1 | 174.6 | -177.7 | 69.9 | 0 | 0 | 0 | 111.1 | N182 K183 I184 C188 K189 T190 | N182-H186 PolarHBondContact O-N 2.99Å; K183-H186 WeakPolarHBondContact O-CB 3.06Å; K183-H186 PolarHBondContact O-N 3.2Å; K183-H186 VanDerWaalsContact O-N 3.08Å; I184-H186 VanDerWaalsContact C-N 3.26Å; I184-H186 PolarHBondContact O-N 3.01Å; H186-C188 PolarHBondContact O-N 3.38Å; H186-K189 PolarHBondContact O-N 3.29Å; H186-T190 PolarHBondContact O-N 2.88Å; H186-T190 PolarHBondContact O-OG1 3.42Å; H186-T190 VanDerWaalsContact O-OG1 3.14Å |
| 187 | V | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 176.8 | 175 | 0 | 0 | 0 | 0 | 111.5 | L163 E166 L167 I170 K183 I184 K189 T190 L191 | L163-V187 HydrophobicContact CB-CG1 4.07Å; L163-V187 HydrophobicContact CD2-CG1 4.04Å; E166-V187 HydrophobicContact CB-CG2 4.45Å; E166-V187 HydrophobicContact CG-CG2 4.24Å; L167-V187 HydrophobicContact CB-CG1 4.23Å; I170-V187 HydrophobicContact CD1-CG2 3.8Å; K183-V187 PolarHBondContact O-N 3.08Å; K183-V187 VanDerWaalsContact O-N 3.08Å; I184-V187 PolarHBondContact O-N 3.06Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 3.34Å; V187-T190 PolarHBondContact O-N 2.65Å; V187-L191 VanDerWaalsContact O-CB 3.24Å; V187-L191 WeakPolarHBondContact O-CB 3.33Å; V187-L191 PolarHBondContact O-N 2.98Å |
| 188 | C | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -36 | 179.2 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | A96 Q100 L131 I184 H186 S192 | A96-C188 HydrophobicContact CB-CB 4.46Å; Q100-C188 HydrophobicContact CG-CB 3.65Å; L131-C188 VanDerWaalsContact CD2-SG 3.6Å; I184-C188 WeakPolarHBondContact O-CB 3.24Å; I184-C188 PolarHBondContact O-N 3.07Å; I184-C188 PolarHBondContact O-SG 3.48Å; H186-C188 PolarHBondContact O-N 3.38Å; C188-S192 WeakPolarHBondContact O-CB 3.43Å; C188-S192 PolarHBondContact O-N 3.03Å; C188-S192 PolarHBondContact O-OG 3.25Å |
| 189 | K | 92 | Very high | 89 | Confident | 133 Ų | 133 | 38.3 Ų | 38.3 | 58% | 0.578 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -66 | -47.4 | 174.8 | -78.3 | 174.8 | 178.9 | -175.9 | 0 | 111.6 | Q100 L185 H186 V187 L191 S192 G193 | Q100-K189 VanDerWaalsContact OE1-CG 3.28Å; L185-K189 VanDerWaalsContact O-CG 3.27Å; L185-K189 WeakPolarHBondContact O-CG 3.28Å; L185-K189 PolarHBondContact O-N 3.31Å; H186-K189 PolarHBondContact O-N 3.29Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 3.34Å; K189-L191 VanDerWaalsContact C-N 3.32Å; K189-L191 PolarHBondContact O-N 3.31Å; K189-S192 PolarHBondContact O-N 3.35Å; K189-G193 PolarHBondContact O-N 3.45Å |
| 190 | T | 92.1 | Very high | 88.8 | Confident | 47 Ų | 47 | 38 Ų | 38 | 29% | 0.288 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 178 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | L163 H186 V187 G193 V194 | L163-T190 HydrophobicContact CD1-CG2 3.96Å; L163-T190 HydrophobicContact CD2-CG2 4.01Å; H186-T190 PolarHBondContact O-N 2.88Å; H186-T190 PolarHBondContact O-OG1 3.42Å; H186-T190 VanDerWaalsContact O-OG1 3.14Å; V187-T190 PolarHBondContact O-N 2.65Å; T190-G193 PolarHBondContact O-N 3.39Å; T190-V194 WeakPolarHBondContact O-CG2 3.48Å; T190-V194 PolarHBondContact O-N 2.89Å |
| 191 | L | 92 | Very high | 88 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.5 | -168.2 | 59.2 | 0 | 0 | 0 | 112.7 | L92 L131 V160 L163 V187 K189 V194 C195 | L92-L191 HydrophobicContact CD1-CD2 4.08Å; L92-L191 HydrophobicContact CD1-CG 4.38Å; L92-L191 HydrophobicContact CD2-CD1 4.07Å; L92-L191 HydrophobicContact CD2-CG 4.44Å; L92-L191 HydrophobicContact CG-CG 4.34Å; L131-L191 HydrophobicContact CD1-CD2 3.86Å; L131-L191 HydrophobicContact CD2-CD2 4.22Å; L131-L191 HydrophobicContact CG-CD2 4.11Å; V160-L191 HydrophobicContact CG1-CD1 4.19Å; V160-L191 HydrophobicContact CG2-CD1 4.1Å; L163-L191 HydrophobicContact CD1-CB 4.31Å; L163-L191 HydrophobicContact CD1-CD1 4.13Å; V187-L191 VanDerWaalsContact O-CB 3.24Å; V187-L191 WeakPolarHBondContact O-CB 3.33Å; V187-L191 PolarHBondContact O-N 2.98Å; K189-L191 VanDerWaalsContact C-N 3.32Å; K189-L191 PolarHBondContact O-N 3.31Å; L191-V194 PolarHBondContact O-N 3.2Å; L191-C195 PolarHBondContact O-N 3.43Å; L191-C195 PolarHBondContact O-SG 3.24Å |
| 192 | S | 91.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 169.6 | -86.7 | 0 | 0 | 0 | 0 | 111.9 | N93 C188 K189 V194 C195 D196 | N93-S192 VanDerWaalsContact OD1-CB 3.32Å; N93-S192 WeakPolarHBondContact OD1-CB 3.46Å; N93-S192 PolarHBondContact OD1-OG 3.48Å; C188-S192 WeakPolarHBondContact O-CB 3.43Å; C188-S192 PolarHBondContact O-N 3.03Å; C188-S192 PolarHBondContact O-OG 3.25Å; K189-S192 PolarHBondContact O-N 3.35Å; S192-V194 VanDerWaalsContact C-N 3.34Å; S192-V194 PolarHBondContact O-N 2.85Å; S192-C195 PolarHBondContact O-N 3.49Å; S192-D196 WeakPolarHBondContact O-CB 3.21Å; S192-D196 PolarHBondContact O-N 2.86Å |
| 193 | G | 89.1 | Confident | 85.1 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K189 T190 D196 H197 | K189-G193 PolarHBondContact O-N 3.45Å; T190-G193 PolarHBondContact O-N 3.39Å; G193-D196 PolarHBondContact O-N 2.93Å; G193-H197 WeakPolarHBondContact O-CB 3.49Å; G193-H197 PolarHBondContact O-N 2.96Å |
| 194 | V | 88 | Confident | 84 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 172.9 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | T156 N159 V160 T190 L191 S192 H197 I198 | T156-V194 HydrophobicContact CG2-CG1 3.81Å; N159-V194 WeakPolarHBondContact ND2-CG2 3.43Å; V160-V194 HydrophobicContact CG2-CG1 3.81Å; T190-V194 WeakPolarHBondContact O-CG2 3.48Å; T190-V194 PolarHBondContact O-N 2.89Å; L191-V194 PolarHBondContact O-N 3.2Å; S192-V194 VanDerWaalsContact C-N 3.34Å; S192-V194 PolarHBondContact O-N 2.85Å; V194-H197 WeakPolarHBondContact O-CB 3.22Å; V194-H197 PolarHBondContact O-N 3.26Å; V194-I198 HydrophobicContact CG1-CD1 4.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.48Å; V194-I198 PolarHBondContact O-N 3.33Å; V194-I198 VanDerWaalsContact O-N 3.07Å |
| 195 | C | 87.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 176 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | L92 N93 L191 S192 H197 I198 I199 | L92-C195 VanDerWaalsContact CG-SG 3.54Å; N93-C195 HydrophobicContact CB-CB 3.67Å; L191-C195 PolarHBondContact O-N 3.43Å; L191-C195 PolarHBondContact O-SG 3.24Å; S192-C195 PolarHBondContact O-N 3.49Å; C195-H197 PolarHBondContact O-N 2.94Å; C195-I198 PolarHBondContact O-N 3.36Å; C195-I198 VanDerWaalsContact O-N 3.16Å; C195-I199 WeakPolarHBondContact O-CB 3.49Å; C195-I199 WeakPolarHBondContact O-CD1 3.2Å; C195-I199 VanDerWaalsContact O-CG1 3.22Å; C195-I199 WeakPolarHBondContact O-CG1 3.38Å; C195-I199 PolarHBondContact O-N 3.46Å |
| 196 | D | 87.2 | Confident | 81.4 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -32.2 | 178.5 | -72.7 | -34.4 | 0 | 0 | 0 | 110.7 | N93 K97 S192 G193 S200 | N93-D196 PolarHBondContact ND2-OD1 3.31Å; K97-D196 IonicContact NZ-OD1 3.59Å; K97-D196 IonicContact NZ-OD2 3.25Å; K97-D196 PolarHBondContact NZ-OD2 3.09Å; S192-D196 WeakPolarHBondContact O-CB 3.21Å; S192-D196 PolarHBondContact O-N 2.86Å; G193-D196 PolarHBondContact O-N 2.93Å; D196-S200 WeakPolarHBondContact O-CB 3.45Å; D196-S200 PolarHBondContact O-N 2.96Å |
| 197 | H | 84.9 | Confident | 80.2 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.2 | -49.3 | 168.5 | 179.9 | 48.4 | 0 | 0 | 0 | 112.8 | G193 V194 C195 I199 S200 L201 | G193-H197 WeakPolarHBondContact O-CB 3.49Å; G193-H197 PolarHBondContact O-N 2.96Å; V194-H197 WeakPolarHBondContact O-CB 3.22Å; V194-H197 PolarHBondContact O-N 3.26Å; C195-H197 PolarHBondContact O-N 2.94Å; H197-I199 VanDerWaalsContact C-N 3.26Å; H197-I199 PolarHBondContact O-N 3.44Å; H197-S200 WeakPolarHBondContact O-CA 3.37Å; H197-S200 WeakPolarHBondContact O-CB 3.35Å; H197-S200 PolarHBondContact O-N 3.48Å; H197-S200 PolarHBondContact O-OG 2.96Å; H197-L201 PolarHBondContact O-N 2.81Å; H197-L201 VanDerWaalsContact O-N 3.09Å |
| 198 | I | 81.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.3 | -58.7 | 161.8 | 0 | 0 | 0 | 111.1 | L85 S89 L138 T156 V194 C195 L201 | L85-I198 HydrophobicContact CD2-CG2 3.64Å; L85-I198 HydrophobicContact CG-CG2 3.94Å; S89-I198 VanDerWaalsContact OG-CG2 3.26Å; S89-I198 WeakPolarHBondContact OG-CG2 3.38Å; L138-I198 HydrophobicContact CD2-CD1 3.92Å; T156-I198 HydrophobicContact CG2-CD1 3.66Å; T156-I198 HydrophobicContact CG2-CG1 3.93Å; V194-I198 HydrophobicContact CG1-CD1 4.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.48Å; V194-I198 PolarHBondContact O-N 3.33Å; V194-I198 VanDerWaalsContact O-N 3.07Å; C195-I198 PolarHBondContact O-N 3.36Å; C195-I198 VanDerWaalsContact O-N 3.16Å; I198-L201 PolarHBondContact O-N 3.18Å |
| 199 | I | 83 | Confident | 77.7 | Confident | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.138 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -37 | 175.3 | -66.4 | 158.3 | 0 | 0 | 0 | 110.9 | H90 C195 H197 L201 S202 | H90-I199 WeakPolarHBondContact ND1-CD1 3.42Å; C195-I199 WeakPolarHBondContact O-CB 3.49Å; C195-I199 WeakPolarHBondContact O-CD1 3.2Å; C195-I199 VanDerWaalsContact O-CG1 3.22Å; C195-I199 WeakPolarHBondContact O-CG1 3.38Å; C195-I199 PolarHBondContact O-N 3.46Å; H197-I199 VanDerWaalsContact C-N 3.26Å; H197-I199 PolarHBondContact O-N 3.44Å; I199-L201 VanDerWaalsContact C-N 3.28Å; I199-L201 PolarHBondContact O-N 3.17Å; I199-S202 VanDerWaalsContact O-CB 3.22Å; I199-S202 WeakPolarHBondContact O-CB 3.37Å; I199-S202 PolarHBondContact O-N 2.97Å; I199-S202 VanDerWaalsContact O-N 3.15Å; I199-S202 PolarHBondContact O-OG 3.36Å |
| 200 | S | 80.3 | Confident | 76.5 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | 173.9 | 78.3 | 0 | 0 | 0 | 0 | 113 | D196 H197 S202 | D196-S200 WeakPolarHBondContact O-CB 3.45Å; D196-S200 PolarHBondContact O-N 2.96Å; H197-S200 WeakPolarHBondContact O-CA 3.37Å; H197-S200 WeakPolarHBondContact O-CB 3.35Å; H197-S200 PolarHBondContact O-N 3.48Å; H197-S200 PolarHBondContact O-OG 2.96Å; S200-S202 PolarHBondContact O-N 3.3Å |
| 201 | L | 71.9 | Confident | 75.4 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 4.2 | 174.3 | -64.5 | 174.3 | 0 | 0 | 0 | 113.8 | Y153 H197 I198 I199 S203 D204 | Y153-L201 HydrophobicContact CE1-CD1 4.2Å; H197-L201 PolarHBondContact O-N 2.81Å; H197-L201 VanDerWaalsContact O-N 3.09Å; I198-L201 PolarHBondContact O-N 3.18Å; I199-L201 VanDerWaalsContact C-N 3.28Å; I199-L201 PolarHBondContact O-N 3.17Å; L201-S203 PolarHBondContact O-N 3.01Å; L201-D204 VanDerWaalsContact O-CB 3.32Å; L201-D204 WeakPolarHBondContact O-CB 3.25Å; L201-D204 PolarHBondContact O-N 3.26Å |
| 202 | S | 59.9 | Low | 74.4 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 3.8 | -174.5 | 61.2 | 0 | 0 | 0 | 0 | 116.7 | K86 I199 S200 D204 S208 | K86-S202 PolarHBondContact NZ-OG 2.93Å; I199-S202 VanDerWaalsContact O-CB 3.22Å; I199-S202 WeakPolarHBondContact O-CB 3.37Å; I199-S202 PolarHBondContact O-N 2.97Å; I199-S202 VanDerWaalsContact O-N 3.15Å; I199-S202 PolarHBondContact O-OG 3.36Å; S200-S202 PolarHBondContact O-N 3.3Å; S202-D204 VanDerWaalsContact C-N 3.29Å; S202-S208 PolarHBondContact O-OG 2.67Å |
| 203 | S | 57.4 | Low | 74 | Confident | 117 Ų | 117 | 46.7 Ų | 46.7 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -21.1 | 160.7 | -55.4 | 0 | 0 | 0 | 0 | 113.4 | L201 P205 | L201-S203 PolarHBondContact O-N 3.01Å; S203-P205 WeakPolarHBondContact O-CD 3.25Å |
| 204 | D | 67.1 | Low | 73.7 | Confident | 45 Ų | 45 | 46.5 Ų | 46.5 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -70.2 | 121.9 | 173 | 177.1 | 0.5 | 0 | 0 | 0 | 110.2 | Y153 L201 S202 L206 V207 | Y153-D204 PolarHBondContact OH-OD2 3.37Å; L201-D204 VanDerWaalsContact O-CB 3.32Å; L201-D204 WeakPolarHBondContact O-CB 3.25Å; L201-D204 PolarHBondContact O-N 3.26Å; S202-D204 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.01Å; D204-L206 VanDerWaalsContact O-N 3.14Å; D204-L206 VanDerWaalsContact OD1-CB 3.31Å; D204-L206 WeakPolarHBondContact OD1-CB 3.35Å; D204-L206 WeakPolarHBondContact OD1-CG 3.25Å; D204-L206 PolarHBondContact OD1-N 3.48Å; D204-V207 HydrophobicContact CB-CB 4.42Å; D204-V207 HydrophobicContact CB-CG2 3.82Å; D204-V207 PolarHBondContact O-N 3.29Å |
| 205 | P | 62.9 | Low | 73.7 | Confident | 77 Ų | 77 | 49 Ų | 49 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.2 | -30.8 | 175.8 | -27.2 | 36.1 | 0 | 0 | 0 | 114 | S203 V207 S208 Q209 | S203-P205 WeakPolarHBondContact O-CD 3.25Å; P205-V207 VanDerWaalsContact C-N 3.29Å; P205-V207 PolarHBondContact O-N 3.25Å; P205-S208 PolarHBondContact O-N 3.24Å; P205-Q209 WeakPolarHBondContact O-CG 3.4Å; P205-Q209 PolarHBondContact O-N 3.08Å |
| 206 | L | 65.3 | Low | 73.7 | Confident | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.7 | -29 | 178.8 | -60 | 174.8 | 0 | 0 | 0 | 112.6 | P146 F147 D204 | P146-L206 HydrophobicContact CG-CD1 4.07Å; P146-L206 HydrophobicContact CG-CD2 4.03Å; F147-L206 HydrophobicContact CE1-CB 3.85Å; F147-L206 HydrophobicContact CZ-CB 4.09Å; F147-L206 WeakPolarHBondContact CZ-O 3.36Å; D204-L206 PolarHBondContact O-N 3.01Å; D204-L206 VanDerWaalsContact O-N 3.14Å; D204-L206 VanDerWaalsContact OD1-CB 3.31Å; D204-L206 WeakPolarHBondContact OD1-CB 3.35Å; D204-L206 WeakPolarHBondContact OD1-CG 3.25Å; D204-L206 PolarHBondContact OD1-N 3.48Å |
| 207 | V | 64.5 | Low | 73.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.9 | -29.8 | -178.9 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L85 K86 Y153 D204 P205 | L85-V207 HydrophobicContact CB-CG1 4.34Å; L85-V207 HydrophobicContact CD2-CG2 4.15Å; K86-V207 HydrophobicContact CB-CG1 4.15Å; K86-V207 PolarHBondContact N-O 3.35Å; Y153-V207 HydrophobicContact CE1-CG2 4.42Å; Y153-V207 WeakPolarHBondContact OH-CG2 3.38Å; D204-V207 HydrophobicContact CB-CB 4.42Å; D204-V207 HydrophobicContact CB-CG2 3.82Å; D204-V207 PolarHBondContact O-N 3.29Å; P205-V207 VanDerWaalsContact C-N 3.29Å; P205-V207 PolarHBondContact O-N 3.25Å |
| 208 | S | 65.1 | Low | 73.6 | Confident | 53 Ų | 53 | 48 Ų | 48 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -100.5 | -25.6 | -172.2 | -67.3 | 0 | 0 | 0 | 0 | 114.3 | N84 S202 P205 | N84-S208 PolarHBondContact ND2-O 2.78Å; S202-S208 PolarHBondContact O-OG 2.67Å; P205-S208 PolarHBondContact O-N 3.24Å |
| 209 | Q | 68.8 | Low | 73.4 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 135.9 | 171 | -74.9 | 179.1 | 19.6 | 0 | 0 | 111.3 | N84 P205 P297 Q298 | N84-Q209 VanDerWaalsContact CB-O 3.26Å; N84-Q209 WeakPolarHBondContact CB-O 3.49Å; P205-Q209 WeakPolarHBondContact O-CG 3.4Å; P205-Q209 PolarHBondContact O-N 3.08Å; Q209-P297 HydrophobicContact CB-CB 3.4Å; Q209-P297 HydrophobicContact CG-CB 4.39Å; Q209-P297 VanDerWaalsContact OE1-CA 3.23Å; Q209-P297 VanDerWaalsContact OE1-CB 3.28Å; Q209-Q298 PolarHBondContact NE2-O 3.48Å; Q209-Q298 PolarHBondContact OE1-O 3.49Å |
| 210 | S | 66.4 | Low | 72.5 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 168.3 | 170.6 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | E83 | E83-S210 WeakPolarHBondContact O-CA 3.33Š|
| 211 | A | 68.8 | Low | 72.1 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 158.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E83 W141 K294 K295 | E83-A211 PolarHBondContact O-N 3.07Å; W141-A211 HydrophobicContact CH2-CB 4.02Å; W141-A211 HydrophobicContact CZ2-CB 4Å; A211-K294 HydrophobicContact CB-CD 4.35Å; A211-K294 HydrophobicContact CB-CG 4.01Å; A211-K295 VanDerWaalsContact CA-O 3.32Å; A211-K295 WeakPolarHBondContact CA-O 3.38Å |
| 212 | H | 71.6 | Confident | 71.7 | Confident | 98 Ų | 98 | 56.1 Ų | 56.1 | 45% | 0.454 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.3 | 169.8 | 60.7 | -84.7 | 0 | 0 | 0 | 110.2 | K295 | H212-K295 VanDerWaalsContact CE1-CB 3.47Å; H212-K295 WeakPolarHBondContact CE1-CB 3.49Å; H212-K295 PolarHBondContact N-O 3.41Å; H212-K295 VanDerWaalsContact N-O 3.17Å; H212-K295 WeakPolarHBondContact NE2-CB 3.43Å; H212-K295 WeakPolarHBondContact O-CA 3.45Å; H212-K295 VanDerWaalsContact O-CB 3.31Å; H212-K295 WeakPolarHBondContact O-CB 3.47Å; H212-K295 PolarHBondContact O-N 3.15Å |
| 213 | L | 82.4 | Confident | 71.8 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 138.9 | 169.4 | -64.3 | -177.2 | 0 | 0 | 0 | 110 | I4 M5 L80 I263 T292 L293 K294 | I4-L213 HydrophobicContact CB-CB 4.18Å; I4-L213 HydrophobicContact CB-CD1 4.32Å; I4-L213 HydrophobicContact CD1-CB 4.2Å; I4-L213 WeakPolarHBondContact CD1-O 3.08Å; I4-L213 HydrophobicContact CG2-CB 3.68Å; I4-L213 HydrophobicContact CG2-CD1 4.12Å; M5-L213 HydrophobicContact CB-CD1 3.89Å; L80-L213 HydrophobicContact CD1-CD1 4.02Å; L80-L213 HydrophobicContact CD1-CD2 4.44Å; L80-L213 HydrophobicContact CD1-CG 4.42Å; L80-L213 HydrophobicContact CD2-CD1 4.48Å; L80-L213 HydrophobicContact CD2-CD2 3.62Å; L80-L213 HydrophobicContact CD2-CG 3.99Å; L213-I263 HydrophobicContact CD2-CG1 4.21Å; L213-T292 HydrophobicContact CB-CG2 4.21Å; L213-T292 HydrophobicContact CD1-CG2 4.02Å; L213-T292 HydrophobicContact CD2-CG2 4.19Å; L213-T292 HydrophobicContact CG-CG2 4.37Å; L213-L293 WeakPolarHBondContact CA-O 3.24Å; L213-K294 HydrophobicContact CD2-CB 4.27Å |
| 214 | E | 83.9 | Confident | 72 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.4 | 165.9 | -178.2 | -172.8 | -164.2 | 0 | 0 | 108.8 | I216 K255 L293 K295 | E214-I216 HydrophobicContact CG-CD1 4.48Å; E214-I216 HydrophobicContact CG-CG1 3.91Å; E214-K255 WeakPolarHBondContact OE1-CD 3.22Å; E214-K255 WeakPolarHBondContact OE1-CG 3.46Å; E214-K255 IonicContact OE1-NZ 2.68Å; E214-K255 PolarHBondContact OE1-NZ 3.23Å; E214-L293 PolarHBondContact N-O 2.97Å; E214-L293 PolarHBondContact O-N 3.44Å; E214-K295 HydrophobicContact CB-CD 3.72Å; E214-K295 HydrophobicContact CB-CG 3.45Å; E214-K295 VanDerWaalsContact CB-CG 3.45Å; E214-K295 WeakPolarHBondContact OE2-CD 3.32Å; E214-K295 WeakPolarHBondContact OE2-CE 3.35Å; E214-K295 IonicContact OE2-NZ 2.71Å; E214-K295 PolarHBondContact OE2-NZ 3.01Å |
| 215 | V | 87.3 | Confident | 72.1 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.5 | 170.6 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | I4 I290 L291 T292 | I4-V215 HydrophobicContact CG2-CG2 3.57Å; V215-I290 HydrophobicContact CG1-CG2 3.61Å; V215-L291 CarbonylContact C-O 3.59Å; V215-L291 WeakPolarHBondContact CA-O 3.44Å; V215-T292 HydrophobicContact CG2-CG2 4.45Å |
| 216 | I | 87.3 | Confident | 72.7 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.1 | -176.4 | -54.2 | 174.6 | 0 | 0 | 0 | 108.1 | E214 L218 C253 K255 I256 L291 L293 | E214-I216 HydrophobicContact CG-CD1 4.48Å; E214-I216 HydrophobicContact CG-CG1 3.91Å; I216-L218 HydrophobicContact CG2-CD2 4.04Å; I216-C253 HydrophobicContact CG2-CB 4.47Å; I216-K255 HydrophobicContact CD1-CB 3.65Å; I216-K255 HydrophobicContact CG1-CB 4.02Å; I216-K255 HydrophobicContact CG1-CD 4.36Å; I216-K255 HydrophobicContact CG2-CB 4.23Å; I216-K255 HydrophobicContact CG2-CD 4.23Å; I216-I256 HydrophobicContact CD1-CG1 3.65Å; I216-I256 HydrophobicContact CG2-CD1 4.33Å; I216-I256 HydrophobicContact CG2-CG1 4.26Å; I216-L291 PolarHBondContact N-O 2.82Å; I216-L291 PolarHBondContact O-N 2.98Å; I216-L293 HydrophobicContact CD1-CD1 3.66Å; I216-L293 HydrophobicContact CD1-CG 4.13Å |
| 217 | Q | 86.2 | Confident | 73.5 | Confident | 137 Ų | 137 | 60.5 Ų | 60.5 | 64% | 0.64 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.2 | 173.6 | -170.1 | 173.6 | 22 | 0 | 0 | 110 | I290 | Q217-I290 HydrophobicContact CG-CG1 4.09Å |
| 218 | L | 84.3 | Confident | 74.4 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 87.1 | 175.4 | -61 | -176.4 | 0 | 0 | 0 | 109.3 | I216 L227 M229 A250 C253 I256 G288 V289 L291 | I216-L218 HydrophobicContact CG2-CD2 4.04Å; L218-L227 HydrophobicContact CB-CD2 4.4Å; L218-L227 HydrophobicContact CD1-CD2 3.96Å; L218-M229 HydrophobicContact CD1-SD 4.47Å; L218-A250 HydrophobicContact CD1-CB 4.35Å; L218-C253 HydrophobicContact CD2-CB 3.82Å; L218-I256 HydrophobicContact CD1-CD1 3.95Å; L218-I256 HydrophobicContact CD2-CD1 4Å; L218-I256 HydrophobicContact CG-CD1 4.4Å; L218-G288 CarbonylContact O-C 3.55Å; L218-G288 WeakPolarHBondContact O-CA 3.21Å; L218-V289 PolarHBondContact N-O 2.88Å; L218-V289 PolarHBondContact O-N 3.33Å; L218-L291 HydrophobicContact CD1-CD1 3.75Å; L218-L291 HydrophobicContact CG-CD1 4.37Å |
| 219 | A | 76.9 | Confident | 75.5 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 168.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 220 | N | 64.4 | Low | 76.4 | Confident | 137 Ų | 137 | 62 Ų | 62 | 73% | 0.733 | 36% | 0.356 | S | S | * | . | trans | 56.8 | 47.8 | 177.3 | -61.8 | -23.2 | 0 | 0 | 0 | 113.6 | ||||
| 221 | I | 72.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | trans | -77.8 | 121.6 | 169 | -51.7 | 166.4 | 0 | 0 | 0 | 107.3 | L227 V289 | I221-L227 HydrophobicContact CD1-CD2 3.51Å; I221-L227 HydrophobicContact CG1-CD2 3.85Å; I221-L227 HydrophobicContact CG2-CD2 4.45Å; I221-V289 HydrophobicContact CD1-CB 4.27Å; I221-V289 HydrophobicContact CD1-CG2 3.74Å | ||
| 222 | K | 63.5 | Low | 78.5 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | trans | -82.5 | 140.8 | 169.9 | -46.7 | -164.6 | -170.2 | 87.7 | 0 | 108.4 | S224 E225 | K222-S224 PolarHBondContact O-N 2.69Å; K222-E225 HydrophobicContact CB-CB 3.82Å; K222-E225 HydrophobicContact CG-CB 4.28Å; K222-E225 IonicContact NZ-OE2 2.71Å; K222-E225 PolarHBondContact NZ-OE2 2.59Å; K222-E225 CarbonylContact O-C 3.5Å; K222-E225 PolarHBondContact O-N 2.86Å | ||
| 223 | P | 61.4 | Low | 79.2 | Confident | 139 Ų | 139 | 64 Ų | 64 | 90% | 0.903 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22 | 177.4 | -28.6 | 36.3 | 0 | 0 | 0 | 115 | ||
| 224 | S | 60.6 | Low | 79.2 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -5 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | K222 | K222-S224 PolarHBondContact O-N 2.69Š|
| 225 | E | 70.2 | Confident | 78.7 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -121.5 | 89.8 | -173.8 | -171 | -171.1 | 132.2 | 0 | 0 | 109.6 | K222 P249 R252 | K222-E225 HydrophobicContact CB-CB 3.82Å; K222-E225 HydrophobicContact CG-CB 4.28Å; K222-E225 IonicContact NZ-OE2 2.71Å; K222-E225 PolarHBondContact NZ-OE2 2.59Å; K222-E225 CarbonylContact O-C 3.5Å; K222-E225 PolarHBondContact O-N 2.86Å; E225-P249 WeakPolarHBondContact OE1-CD 3.4Å; E225-R252 IonicContact OE1-CZ 2.76Å; E225-R252 VanDerWaalsContact OE1-CZ 3.28Å; E225-R252 IonicContact OE1-NH1 3.56Å; E225-R252 PolarHBondContact OE1-NH1 3.29Å; E225-R252 IonicContact OE1-NH2 2.68Å; E225-R252 PolarHBondContact OE1-NH2 3.44Å |
| 226 | G | 75.6 | Confident | 77.9 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | trans | -58.4 | 152.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | G228 | G226-G228 PolarHBondContact O-N 3.09Š| ||
| 227 | L | 82.7 | Confident | 77.6 | Confident | 20 Ų | 20 | 73.5 Ų | 73.5 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | trans | -46.2 | -28.9 | -175.7 | -67.8 | 174.3 | 0 | 0 | 0 | 115.2 | L218 I221 M229 S248 A250 L282 V289 | L218-L227 HydrophobicContact CB-CD2 4.4Å; L218-L227 HydrophobicContact CD1-CD2 3.96Å; I221-L227 HydrophobicContact CD1-CD2 3.51Å; I221-L227 HydrophobicContact CG1-CD2 3.85Å; I221-L227 HydrophobicContact CG2-CD2 4.45Å; L227-M229 HydrophobicContact CB-CE 4.3Å; L227-M229 HydrophobicContact CD1-CE 3.86Å; L227-S248 PolarHBondContact O-OG 3.36Å; L227-A250 WeakPolarHBondContact O-CB 3.31Å; L227-A250 PolarHBondContact O-N 3.01Å; L227-A250 VanDerWaalsContact O-N 3.17Å; L227-L282 HydrophobicContact CD1-CB 4.01Å; L227-L282 HydrophobicContact CD1-CD2 4.1Å; L227-V289 HydrophobicContact CD1-CG2 4.5Å | ||
| 228 | G | 83.6 | Confident | 77.6 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | trans | 73.2 | 32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G226 T244 T245 S248 | G226-G228 PolarHBondContact O-N 3.09Å; G228-T244 VanDerWaalsContact O-CA 3.29Å; G228-T244 WeakPolarHBondContact O-CA 3.39Å; G228-T245 WeakPolarHBondContact CA-OG1 3.46Å; G228-T245 PolarHBondContact O-N 3.09Å; G228-T245 PolarHBondContact O-OG1 3.31Å; G228-S248 PolarHBondContact O-OG 2.87Å | ||
| 229 | M | 88 | Confident | 77.8 | Confident | 27 Ų | 27 | 68 Ų | 68 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.5 | 169 | -60.8 | -173.6 | -66.1 | 0 | 0 | 110.2 | L218 L227 I231 I241 A250 I256 L282 L291 | L218-M229 HydrophobicContact CD1-SD 4.47Å; L227-M229 HydrophobicContact CB-CE 4.3Å; L227-M229 HydrophobicContact CD1-CE 3.86Å; M229-I231 HydrophobicContact CB-CG1 4.4Å; M229-I231 HydrophobicContact CE-CD1 4.36Å; M229-I241 HydrophobicContact SD-CD1 4.05Å; M229-A250 HydrophobicContact CG-CB 3.31Å; M229-A250 HydrophobicContact SD-CB 4.18Å; M229-I256 HydrophobicContact SD-CD1 3.82Å; M229-L282 HydrophobicContact CE-CD1 4.31Å; M229-L282 HydrophobicContact CE-CD2 4.18Å; M229-L291 HydrophobicContact CE-CD1 3.87Å; M229-L291 HydrophobicContact SD-CD1 3.8Å |
| 230 | Y | 87.1 | Confident | 78.4 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 96.3 | 170.7 | -67.1 | -79.1 | 0 | 0 | 0 | 110.2 | T242 G243 T245 L308 | Y230-T242 WeakPolarHBondContact CB-OG1 3.42Å; Y230-T242 PolarHBondContact O-N 3.19Å; Y230-T242 PolarHBondContact O-OG1 3.26Å; Y230-G243 PolarHBondContact N-O 2.83Å; Y230-T245 HydrophobicContact CE2-CG2 3.48Å; Y230-T245 VanDerWaalsContact CE2-CG2 3.48Å; Y230-T245 VanDerWaalsContact OH-CG2 3.25Å; Y230-T245 WeakPolarHBondContact OH-CG2 3.38Å; Y230-L308 HydrophobicContact CD2-CD1 3.53Å; Y230-L308 HydrophobicContact CE2-CD1 3.54Å; Y230-L308 HydrophobicContact CG-CD1 4.3Å |
| 231 | I | 90.1 | Very high | 79.5 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.5 | 178.4 | -54.9 | 178.1 | 0 | 0 | 0 | 109.6 | M229 H239 V262 L275 L278 L282 | M229-I231 HydrophobicContact CB-CG1 4.4Å; M229-I231 HydrophobicContact CE-CD1 4.36Å; I231-H239 HydrophobicContact CG2-CB 4.16Å; I231-V262 HydrophobicContact CD1-CG2 4.33Å; I231-L275 HydrophobicContact CB-CD1 4.35Å; I231-L275 HydrophobicContact CG2-CD1 4.1Å; I231-L278 HydrophobicContact CD1-CD2 3.77Å; I231-L278 HydrophobicContact CG2-CD2 3.98Å; I231-L282 HydrophobicContact CD1-CD1 3.58Å |
| 232 | K | 88.4 | Confident | 80.1 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.3 | 168.1 | -179.7 | -161.1 | 170.9 | -159.1 | 0 | 108.4 | V240 T242 | K232-V240 PolarHBondContact N-O 2.92Å; K232-V240 PolarHBondContact O-N 3.46Å; K232-T242 HydrophobicContact CB-CG2 3.55Å; K232-T242 HydrophobicContact CD-CG2 4.42Å |
| 233 | S | 87.6 | Confident | 81 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 152.1 | 169 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | L238 H239 L275 | S233-L238 CarbonylContact C-O 3.57Å; S233-L238 VanDerWaalsContact CA-O 3.27Å; S233-L238 WeakPolarHBondContact CA-O 3.4Å; S233-H239 PolarHBondContact OG-CE1 2.85Å; S233-H239 PolarHBondContact OG-ND1 3.11Å; S233-L275 WeakPolarHBondContact OG-CB 3.32Å |
| 234 | T | 82.2 | Confident | 82.2 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | trans | -80 | -174.4 | 157.1 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | D236 G237 L238 | T234-D236 WeakPolarHBondContact CB-OD1 3.31Å; T234-D236 WeakPolarHBondContact CB-OD2 3.48Å; T234-D236 PolarHBondContact OG1-OD1 2.93Å; T234-D236 VanDerWaalsContact OG1-OD1 3.12Å; T234-D236 PolarHBondContact OG1-OD2 2.99Å; T234-G237 PolarHBondContact OG1-N 3.17Å; T234-L238 HydrophobicContact CG2-CB 4.12Å; T234-L238 PolarHBondContact N-O 3.35Å; T234-L238 WeakPolarHBondContact OG1-CB 3.28Å; T234-L238 PolarHBondContact OG1-N 3.04Å; T234-L238 PolarHBondContact OG1-O 2.7Å | ||
| 235 | Y | 73.4 | Confident | 83.4 | Confident | 209 Ų | 209 | 46.2 Ų | 46.2 | 82% | 0.82 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -83.5 | -39.9 | 178.4 | -172.8 | -88.7 | 0 | 0 | 0 | 110.8 | G237 | Y235-G237 PolarHBondContact O-N 3.47Š|
| 236 | D | 70.1 | Confident | 84 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -61.8 | -6 | 170.9 | 43.1 | -71.3 | 0 | 0 | 0 | 115.3 | L72 T234 | L72-D236 HydrophobicContact CD1-CB 4.44Å; L72-D236 WeakPolarHBondContact CD1-O 3.38Å; T234-D236 WeakPolarHBondContact CB-OD1 3.31Å; T234-D236 WeakPolarHBondContact CB-OD2 3.48Å; T234-D236 PolarHBondContact OG1-OD1 2.93Å; T234-D236 VanDerWaalsContact OG1-OD1 3.12Å; T234-D236 PolarHBondContact OG1-OD2 2.99Å |
| 237 | G | 81.6 | Confident | 84.1 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 87.5 | 21.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T234 Y235 G272 | T234-G237 PolarHBondContact OG1-N 3.17Å; Y235-G237 PolarHBondContact O-N 3.47Å; G237-G272 WeakPolarHBondContact O-CA 3.36Å; G237-G272 PolarHBondContact O-N 2.83Å |
| 238 | L | 85.1 | Confident | 84.2 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | trans | -83 | 132 | 166.8 | -175 | 69.8 | 0 | 0 | 0 | 110.7 | L72 S233 T234 V240 | L72-L238 HydrophobicContact CD1-CB 4.24Å; S233-L238 CarbonylContact C-O 3.57Å; S233-L238 VanDerWaalsContact CA-O 3.27Å; S233-L238 WeakPolarHBondContact CA-O 3.4Å; T234-L238 HydrophobicContact CG2-CB 4.12Å; T234-L238 PolarHBondContact N-O 3.35Å; T234-L238 WeakPolarHBondContact OG1-CB 3.28Å; T234-L238 PolarHBondContact OG1-N 3.04Å; T234-L238 PolarHBondContact OG1-O 2.7Å; L238-V240 HydrophobicContact CD2-CG2 4.3Å; L238-V240 HydrophobicContact CG-CG2 4.32Å | ||
| 239 | H | 89.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.6 | -174.9 | -60.1 | -40.8 | 0 | 0 | 0 | 112.3 | I231 S233 E261 V262 V270 W273 L278 | I231-H239 HydrophobicContact CG2-CB 4.16Å; S233-H239 PolarHBondContact OG-CE1 2.85Å; S233-H239 PolarHBondContact OG-ND1 3.11Å; H239-E261 CarbonylContact O-C 3.53Å; H239-E261 WeakPolarHBondContact O-CA 3.27Å; H239-V262 HydrophobicContact CB-CB 4.1Å; H239-V262 HydrophobicContact CB-CG2 4.47Å; H239-V262 PolarHBondContact O-N 3.49Å; H239-V270 PolarHBondContact CD2-O 3.34Å; H239-V270 PolarHBondContact NE2-O 2.9Å; H239-W273 PolarHBondContact CE1-O 3.38Å; H239-W273 PolarHBondContact NE2-O 3.19Å; H239-L278 HydrophobicContact CB-CD2 4.04Å |
| 240 | V | 88.2 | Confident | 84 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.6 | -177.8 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | K232 L238 | K232-V240 PolarHBondContact N-O 2.92Å; K232-V240 PolarHBondContact O-N 3.46Å; L238-V240 HydrophobicContact CD2-CG2 4.3Å; L238-V240 HydrophobicContact CG-CG2 4.32Å |
| 241 | I | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.4 | 174.4 | -57.1 | 178.1 | 0 | 0 | 0 | 108.8 | M229 I256 A258 G259 D260 V262 L293 | M229-I241 HydrophobicContact SD-CD1 4.05Å; I241-I256 HydrophobicContact CD1-CG2 3.63Å; I241-I256 HydrophobicContact CG2-CG2 3.97Å; I241-A258 CarbonylContact O-C 3.57Å; I241-A258 WeakPolarHBondContact O-CA 3.46Å; I241-G259 PolarHBondContact O-N 3.35Å; I241-D260 PolarHBondContact N-O 3.18Å; I241-V262 HydrophobicContact CD1-CG2 4.04Å; I241-V262 HydrophobicContact CG1-CG2 3.88Å; I241-L293 HydrophobicContact CD1-CD1 3.81Å; I241-L293 HydrophobicContact CD1-CD2 4.13Å |
| 242 | T | 84.7 | Confident | 83.6 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -8.6 | -175.5 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | Y230 K232 A258 | Y230-T242 WeakPolarHBondContact CB-OG1 3.42Å; Y230-T242 PolarHBondContact O-N 3.19Å; Y230-T242 PolarHBondContact O-OG1 3.26Å; K232-T242 HydrophobicContact CB-CG2 3.55Å; K232-T242 HydrophobicContact CD-CG2 4.42Å; T242-A258 WeakPolarHBondContact O-CB 3.41Å |
| 243 | G | 82.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y230 | Y230-G243 PolarHBondContact N-O 2.83Å |
| 244 | T | 86.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.7 | 172.9 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | G228 A250 I256 A306 | G228-T244 VanDerWaalsContact O-CA 3.29Å; G228-T244 WeakPolarHBondContact O-CA 3.39Å; T244-A250 HydrophobicContact CG2-CB 3.88Å; T244-I256 HydrophobicContact CG2-CG2 4.04Å; T244-A306 PolarHBondContact N-O 2.98Å |
| 245 | T | 86 | Confident | 82.8 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | trans | -78.9 | 137 | 167.5 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | G228 Y230 N247 S248 D251 | G228-T245 WeakPolarHBondContact CA-OG1 3.46Å; G228-T245 PolarHBondContact O-N 3.09Å; G228-T245 PolarHBondContact O-OG1 3.31Å; Y230-T245 HydrophobicContact CE2-CG2 3.48Å; Y230-T245 VanDerWaalsContact CE2-CG2 3.48Å; Y230-T245 VanDerWaalsContact OH-CG2 3.25Å; Y230-T245 WeakPolarHBondContact OH-CG2 3.38Å; T245-N247 PolarHBondContact O-N 3.32Å; T245-S248 PolarHBondContact O-N 2.74Å; T245-S248 PolarHBondContact O-OG 3.41Å; T245-S248 VanDerWaalsContact O-OG 3.05Å; T245-S248 WeakPolarHBondContact OG1-CB 3.27Å; T245-S248 PolarHBondContact OG1-OG 3.42Å; T245-S248 VanDerWaalsContact OG1-OG 3.06Å; T245-D251 WeakPolarHBondContact O-CB 3.41Å | ||
| 246 | E | 81.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 38.5 Ų | 38.5 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 135.7 | 175.4 | -64.5 | -175.4 | 153 | 0 | 0 | 111.8 | S248 L307 K309 | E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 2.98Å; E246-L307 HydrophobicContact CG-CB 4.28Å; E246-L307 HydrophobicContact CG-CD1 4.36Å; E246-L307 HydrophobicContact CG-CD2 4.1Å; E246-L307 HydrophobicContact CG-CG 4.47Å; E246-K309 WeakPolarHBondContact OE1-CE 3.44Å; E246-K309 WeakPolarHBondContact OE1-CG 3.45Å; E246-K309 IonicContact OE1-NZ 3.91Å |
| 247 | N | 78.1 | Confident | 83.8 | Confident | 125 Ų | 125 | 36.8 Ų | 36.8 | 67% | 0.668 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 3.1 | 177.5 | -57.3 | -42.7 | 0 | 0 | 0 | 117.9 | T245 D251 R252 | T245-N247 PolarHBondContact O-N 3.32Å; N247-D251 PolarHBondContact N-OD2 3.01Å; N247-D251 VanDerWaalsContact N-OD2 3.11Å; N247-R252 PolarHBondContact O-NH1 3.1Å |
| 248 | S | 84.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -74.4 | 171.6 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | L227 G228 T245 E246 A250 D251 R252 | L227-S248 PolarHBondContact O-OG 3.36Å; G228-S248 PolarHBondContact O-OG 2.87Å; T245-S248 PolarHBondContact O-N 2.74Å; T245-S248 PolarHBondContact O-OG 3.41Å; T245-S248 VanDerWaalsContact O-OG 3.05Å; T245-S248 WeakPolarHBondContact OG1-CB 3.27Å; T245-S248 PolarHBondContact OG1-OG 3.42Å; T245-S248 VanDerWaalsContact OG1-OG 3.06Å; E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 2.98Å; S248-A250 VanDerWaalsContact C-N 3.25Å; S248-A250 PolarHBondContact O-N 2.94Å; S248-D251 PolarHBondContact O-N 3.47Å; S248-D251 VanDerWaalsContact O-N 3.1Å; S248-D251 PolarHBondContact OG-N 3.29Å; S248-R252 WeakPolarHBondContact O-CB 3.27Å; S248-R252 VanDerWaalsContact O-CG 3.28Å; S248-R252 WeakPolarHBondContact O-CG 3.35Å; S248-R252 PolarHBondContact O-N 3.28Å |
| 249 | P | 83.4 | Confident | 83.2 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.9 | -42.8 | 176.1 | -24.8 | 32.7 | 0 | 0 | 0 | 113.3 | E225 C253 | E225-P249 WeakPolarHBondContact OE1-CD 3.4Å; P249-C253 PolarHBondContact O-N 3.28Å |
| 250 | A | 85.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.2 | -27.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L218 L227 M229 T244 S248 C253 I256 | L218-A250 HydrophobicContact CD1-CB 4.35Å; L227-A250 WeakPolarHBondContact O-CB 3.31Å; L227-A250 PolarHBondContact O-N 3.01Å; L227-A250 VanDerWaalsContact O-N 3.17Å; M229-A250 HydrophobicContact CG-CB 3.31Å; M229-A250 HydrophobicContact SD-CB 4.18Å; T244-A250 HydrophobicContact CG2-CB 3.88Å; S248-A250 VanDerWaalsContact C-N 3.25Å; S248-A250 PolarHBondContact O-N 2.94Å; A250-C253 PolarHBondContact O-SG 2.84Å; A250-I256 HydrophobicContact CB-CD1 3.9Å |
| 251 | D | 84.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -80.2 | -38.8 | 171.5 | -177.7 | 51.7 | 0 | 0 | 0 | 112 | T245 N247 S248 C253 K254 L307 | T245-D251 WeakPolarHBondContact O-CB 3.41Å; N247-D251 PolarHBondContact N-OD2 3.01Å; N247-D251 VanDerWaalsContact N-OD2 3.11Å; S248-D251 PolarHBondContact O-N 3.47Å; S248-D251 VanDerWaalsContact O-N 3.1Å; S248-D251 PolarHBondContact OG-N 3.29Å; D251-C253 PolarHBondContact O-N 2.92Å; D251-K254 WeakPolarHBondContact O-CD 3.44Å; D251-K254 WeakPolarHBondContact O-CE 3.37Å; D251-K254 WeakPolarHBondContact O-CG 3.17Å; D251-K254 PolarHBondContact O-N 3.23Å; D251-K254 VanDerWaalsContact O-N 3.08Å; D251-K254 PolarHBondContact O-NZ 3.42Å; D251-K254 IonicContact OD1-NZ 3.19Å; D251-K254 PolarHBondContact OD1-NZ 3.25Å; D251-K254 IonicContact OD2-NZ 2.62Å; D251-K254 PolarHBondContact OD2-NZ 3.39Å; D251-L307 WeakPolarHBondContact OD1-CD2 3.33Å |
| 252 | R | 82.6 | Confident | 82.9 | Confident | 110 Ų | 110 | 37 Ų | 37 | 42% | 0.415 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.7 | -32.5 | 178.1 | -73.9 | -170.6 | -57.4 | -103.4 | 12.9 | 112.9 | E225 N247 S248 K254 | E225-R252 IonicContact OE1-CZ 2.76Å; E225-R252 VanDerWaalsContact OE1-CZ 3.28Å; E225-R252 IonicContact OE1-NH1 3.56Å; E225-R252 PolarHBondContact OE1-NH1 3.29Å; E225-R252 IonicContact OE1-NH2 2.68Å; E225-R252 PolarHBondContact OE1-NH2 3.44Å; N247-R252 PolarHBondContact O-NH1 3.1Å; S248-R252 WeakPolarHBondContact O-CB 3.27Å; S248-R252 VanDerWaalsContact O-CG 3.28Å; S248-R252 WeakPolarHBondContact O-CG 3.35Å; S248-R252 PolarHBondContact O-N 3.28Å; R252-K254 VanDerWaalsContact C-N 3.26Å; R252-K254 PolarHBondContact O-N 2.75Å |
| 253 | C | 80.3 | Confident | 83.2 | Confident | 35 Ų | 35 | 33.8 Ų | 33.8 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.6 | 178.5 | 81.9 | 0 | 0 | 0 | 0 | 113.7 | I216 L218 P249 A250 D251 K255 | I216-C253 HydrophobicContact CG2-CB 4.47Å; L218-C253 HydrophobicContact CD2-CB 3.82Å; P249-C253 PolarHBondContact O-N 3.28Å; A250-C253 PolarHBondContact O-SG 2.84Å; D251-C253 PolarHBondContact O-N 2.92Å; C253-K255 PolarHBondContact O-N 3.08Å |
| 254 | K | 80.2 | Confident | 83.6 | Confident | 99 Ų | 99 | 34.4 Ų | 34.4 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 51.4 | 3.1 | -177.2 | -58.4 | -67.1 | 164.3 | -164.7 | 0 | 116.9 | D251 R252 H257 P305 | D251-K254 WeakPolarHBondContact O-CD 3.44Å; D251-K254 WeakPolarHBondContact O-CE 3.37Å; D251-K254 WeakPolarHBondContact O-CG 3.17Å; D251-K254 PolarHBondContact O-N 3.23Å; D251-K254 VanDerWaalsContact O-N 3.08Å; D251-K254 PolarHBondContact O-NZ 3.42Å; D251-K254 IonicContact OD1-NZ 3.19Å; D251-K254 PolarHBondContact OD1-NZ 3.25Å; D251-K254 IonicContact OD2-NZ 2.62Å; D251-K254 PolarHBondContact OD2-NZ 3.39Å; R252-K254 VanDerWaalsContact C-N 3.26Å; R252-K254 PolarHBondContact O-N 2.75Å; K254-H257 PolarHBondContact O-CE1 3.46Å; K254-P305 HydrophobicContact CD-CB 4.12Å; K254-P305 HydrophobicContact CD-CG 4.15Å |
| 255 | K | 81.1 | Confident | 83.7 | Confident | 94 Ų | 94 | 34.5 Ų | 34.5 | 41% | 0.409 | 17% | 0.174 | S | C | . | . | trans | -85.9 | -29.6 | 176.3 | -72 | 160 | 159.1 | -91.3 | 0 | 112.5 | E214 I216 C253 H257 K295 | E214-K255 WeakPolarHBondContact OE1-CD 3.22Å; E214-K255 WeakPolarHBondContact OE1-CG 3.46Å; E214-K255 IonicContact OE1-NZ 2.68Å; E214-K255 PolarHBondContact OE1-NZ 3.23Å; I216-K255 HydrophobicContact CD1-CB 3.65Å; I216-K255 HydrophobicContact CG1-CB 4.02Å; I216-K255 HydrophobicContact CG1-CD 4.36Å; I216-K255 HydrophobicContact CG2-CB 4.23Å; I216-K255 HydrophobicContact CG2-CD 4.23Å; C253-K255 PolarHBondContact O-N 3.08Å; K255-H257 PolarHBondContact O-CE1 3.3Å; K255-H257 PolarHBondContact O-ND1 3.19Å; K255-K295 PolarHBondContact O-NZ 3.09Å | ||
| 256 | I | 84.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -83.3 | 125.3 | -174.9 | -63.9 | 176 | 0 | 0 | 0 | 111.1 | I216 L218 M229 I241 T244 A250 L291 L293 | I216-I256 HydrophobicContact CD1-CG1 3.65Å; I216-I256 HydrophobicContact CG2-CD1 4.33Å; I216-I256 HydrophobicContact CG2-CG1 4.26Å; L218-I256 HydrophobicContact CD1-CD1 3.95Å; L218-I256 HydrophobicContact CD2-CD1 4Å; L218-I256 HydrophobicContact CG-CD1 4.4Å; M229-I256 HydrophobicContact SD-CD1 3.82Å; I241-I256 HydrophobicContact CD1-CG2 3.63Å; I241-I256 HydrophobicContact CG2-CG2 3.97Å; T244-I256 HydrophobicContact CG2-CG2 4.04Å; A250-I256 HydrophobicContact CB-CD1 3.9Å; I256-L291 HydrophobicContact CD1-CD1 4.01Å; I256-L293 HydrophobicContact CG1-CD1 4.11Å | ||
| 257 | H | 79.7 | Confident | 84 | Confident | 27 Ų | 27 | 36.1 Ų | 36.1 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | trans | -124.7 | 151.4 | -178.6 | -63.8 | 74.4 | 0 | 0 | 0 | 112.5 | K254 K255 G259 D260 | K254-H257 PolarHBondContact O-CE1 3.46Å; K255-H257 PolarHBondContact O-CE1 3.3Å; K255-H257 PolarHBondContact O-ND1 3.19Å; H257-G259 PolarHBondContact O-N 3.4Å; H257-D260 PolarHBondContact N-OD2 2.83Å; H257-D260 WeakPolarHBondContact O-CB 3.46Å; H257-D260 VanDerWaalsContact O-CG 3.27Å; H257-D260 PolarHBondContact O-N 3.27Å | ||
| 258 | A | 79.4 | Confident | 84.5 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 121.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I241 T242 R296 A306 | I241-A258 CarbonylContact O-C 3.57Å; I241-A258 WeakPolarHBondContact O-CA 3.46Å; T242-A258 WeakPolarHBondContact O-CB 3.41Å; A258-R296 VanDerWaalsContact O-CZ 3.29Å; A258-R296 PolarHBondContact O-NH2 3.3Å; A258-A306 HydrophobicContact CB-CB 3.48Å; A258-A306 VanDerWaalsContact CB-CB 3.48Å |
| 259 | G | 74.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.8 | -13.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I241 H257 R296 | I241-G259 PolarHBondContact O-N 3.35Å; H257-G259 PolarHBondContact O-N 3.4Å; G259-R296 VanDerWaalsContact O-CD 3.24Å; G259-R296 WeakPolarHBondContact O-CD 3.31Å; G259-R296 PolarHBondContact O-NE 2.82Å |
| 260 | D | 83.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 141.1 | 178 | -60 | 1.3 | 0 | 0 | 0 | 110.2 | I241 H257 L293 K295 R296 | I241-D260 PolarHBondContact N-O 3.18Å; H257-D260 PolarHBondContact N-OD2 2.83Å; H257-D260 WeakPolarHBondContact O-CB 3.46Å; H257-D260 VanDerWaalsContact O-CG 3.27Å; H257-D260 PolarHBondContact O-N 3.27Å; D260-L293 HydrophobicContact CB-CD1 4.13Å; D260-K295 WeakPolarHBondContact OD2-CE 3.25Å; D260-K295 IonicContact OD2-NZ 3.9Å; D260-K295 PolarHBondContact OD2-NZ 3.12Å; D260-R296 IonicContact OD1-CZ 2.68Å; D260-R296 IonicContact OD1-NE 2.66Å; D260-R296 PolarHBondContact OD1-NE 2.74Å; D260-R296 VanDerWaalsContact OD1-NE 3.09Å; D260-R296 IonicContact OD1-NH2 2.91Å; D260-R296 PolarHBondContact OD1-NH2 3.22Å |
| 261 | E | 87.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143 | 179.4 | -49.2 | -178.3 | 154.3 | 0 | 0 | 111.5 | R144 H239 I263 L293 K294 | R144-E261 IonicContact CZ-OE1 2.87Å; R144-E261 VanDerWaalsContact NH1-CG 3.32Å; R144-E261 IonicContact NH1-OE1 2.78Å; R144-E261 PolarHBondContact NH1-OE1 2.82Å; R144-E261 IonicContact NH2-OE1 2.81Å; R144-E261 PolarHBondContact NH2-OE1 3.12Å; H239-E261 CarbonylContact O-C 3.53Å; H239-E261 WeakPolarHBondContact O-CA 3.27Å; E261-I263 HydrophobicContact CB-CD1 3.96Å; E261-L293 CarbonylContact O-C 3.54Å; E261-L293 WeakPolarHBondContact O-CA 3.48Å; E261-L293 WeakPolarHBondContact O-CB 3.4Å; E261-L293 WeakPolarHBondContact O-CD2 3.4Å; E261-K294 HydrophobicContact CB-CB 3.97Å; E261-K294 HydrophobicContact CG-CB 4.25Å; E261-K294 PolarHBondContact N-O 3.02Å; E261-K294 PolarHBondContact O-N 2.82Å; E261-K294 WeakPolarHBondContact OE2-CD 3.25Å |
| 262 | V | 90.1 | Very high | 85.6 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116 | 170.4 | -169 | 0 | 0 | 0 | 0 | 109.2 | I231 H239 I241 V265 V270 L278 L293 | I231-V262 HydrophobicContact CD1-CG2 4.33Å; H239-V262 HydrophobicContact CB-CB 4.1Å; H239-V262 HydrophobicContact CB-CG2 4.47Å; H239-V262 PolarHBondContact O-N 3.49Å; I241-V262 HydrophobicContact CD1-CG2 4.04Å; I241-V262 HydrophobicContact CG1-CG2 3.88Å; V262-V265 HydrophobicContact CG1-CG2 3.97Å; V262-V270 HydrophobicContact CG1-CG2 4.02Å; V262-L278 HydrophobicContact CG1-CD1 4.2Å; V262-L293 HydrophobicContact CB-CD2 4.18Å; V262-L293 HydrophobicContact CG1-CD2 4.23Å; V262-L293 HydrophobicContact CG2-CD2 3.94Å |
| 263 | I | 90.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -42.8 | -178.4 | -55.9 | -50.2 | 0 | 0 | 0 | 111.2 | M5 L76 L213 E261 V270 V271 T292 K294 | M5-I263 HydrophobicContact SD-CG2 3.79Å; L76-I263 HydrophobicContact CD1-CD1 3.9Å; L76-I263 HydrophobicContact CD1-CG1 4.23Å; L76-I263 HydrophobicContact CD1-CG2 3.58Å; L76-I263 HydrophobicContact CD2-CG2 3.73Å; L76-I263 HydrophobicContact CG-CG2 4.26Å; L213-I263 HydrophobicContact CD2-CG1 4.21Å; E261-I263 HydrophobicContact CB-CD1 3.96Å; I263-V270 WeakPolarHBondContact O-CG2 3.5Å; I263-V270 PolarHBondContact O-N 3.47Å; I263-V271 HydrophobicContact CD1-CG2 4.02Å; I263-V271 HydrophobicContact CG2-CG2 4.14Å; I263-T292 WeakPolarHBondContact CB-O 3.34Å; I263-T292 PolarHBondContact N-O 2.95Å; I263-K294 HydrophobicContact CD1-CB 3.95Å; I263-K294 HydrophobicContact CG1-CB 3.81Å |
| 264 | Q | 90.6 | Very high | 86.6 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.7 | 176.7 | -46.3 | -170.9 | -68.6 | 0 | 0 | 111.9 | M5 H267 Q268 T269 T292 | M5-Q264 HydrophobicContact CG-CG 4.5Å; M5-Q264 HydrophobicContact SD-CG 3.97Å; Q264-H267 PolarHBondContact NE2-O 2.93Å; Q264-H267 VanDerWaalsContact NE2-O 3.11Å; Q264-Q268 CarbonylContact C-O 3.6Å; Q264-Q268 WeakPolarHBondContact CA-O 3.23Å; Q264-Q268 VanDerWaalsContact CB-O 3.27Å; Q264-Q268 WeakPolarHBondContact CB-O 3.28Å; Q264-T269 PolarHBondContact NE2-OG1 3.18Å; Q264-T292 HydrophobicContact CG-CG2 4.43Å; Q264-T292 PolarHBondContact N-O 3.15Å; Q264-T292 VanDerWaalsContact N-O 3.16Å; Q264-T292 PolarHBondContact O-N 3.01Å; Q264-T292 PolarHBondContact OE1-OG1 3.07Å |
| 265 | V | 90.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126 | 169.4 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | V262 H267 Q268 V270 L278 A281 L282 V289 I290 L291 | V262-V265 HydrophobicContact CG1-CG2 3.97Å; V265-H267 PolarHBondContact O-N 2.79Å; V265-Q268 PolarHBondContact N-O 2.97Å; V265-Q268 WeakPolarHBondContact O-CB 3.44Å; V265-Q268 PolarHBondContact O-N 3.41Å; V265-V270 HydrophobicContact CB-CG1 4.1Å; V265-V270 HydrophobicContact CG2-CG1 4.04Å; V265-V270 HydrophobicContact CG2-CG2 4.16Å; V265-L278 HydrophobicContact CG2-CD1 3.79Å; V265-A281 HydrophobicContact CB-CB 4.5Å; V265-A281 HydrophobicContact CG1-CB 4.15Å; V265-L282 HydrophobicContact CB-CD2 4.49Å; V265-L282 HydrophobicContact CG1-CD2 3.83Å; V265-L282 HydrophobicContact CG1-CG 4.33Å; V265-L282 HydrophobicContact CG2-CD2 3.75Å; V265-L282 HydrophobicContact CG2-CG 4.2Å; V265-V289 HydrophobicContact CG1-CG1 3.99Å; V265-I290 CarbonylContact C-O 3.53Å; V265-I290 WeakPolarHBondContact CA-O 3.4Å; V265-L291 HydrophobicContact CG1-CD2 4.45Å; V265-L291 HydrophobicContact CG2-CD2 3.95Å |
| 266 | N | 87.4 | Confident | 87.5 | Confident | 46 Ų | 46 | 27.3 Ų | 27.3 | 25% | 0.246 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 45.3 | -179.6 | -64.7 | -2.2 | 0 | 0 | 0 | 113.2 | Q268 D285 I290 | N266-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 VanDerWaalsContact O-N 3.08Å; N266-D285 VanDerWaalsContact ND2-CB 3.27Å; N266-D285 WeakPolarHBondContact ND2-CB 3.31Å; N266-D285 PolarHBondContact ND2-OD2 3.35Å; N266-I290 PolarHBondContact N-O 3.44Å; N266-I290 PolarHBondContact OD1-N 2.87Å |
| 267 | H | 85.4 | Confident | 87.8 | Confident | 128 Ų | 128 | 28.4 Ų | 28.4 | 59% | 0.593 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -9.4 | -174.9 | -51.3 | -77.3 | 0 | 0 | 0 | 116.7 | Q264 V265 | Q264-H267 PolarHBondContact NE2-O 2.93Å; Q264-H267 VanDerWaalsContact NE2-O 3.11Å; V265-H267 PolarHBondContact O-N 2.79Å |
| 268 | Q | 88.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 27.1 Ų | 27.1 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 130.6 | 168.9 | 178.3 | 53.4 | 45.2 | 0 | 0 | 110.2 | Q264 V265 N266 W273 | Q264-Q268 CarbonylContact C-O 3.6Å; Q264-Q268 WeakPolarHBondContact CA-O 3.23Å; Q264-Q268 VanDerWaalsContact CB-O 3.27Å; Q264-Q268 WeakPolarHBondContact CB-O 3.28Å; V265-Q268 PolarHBondContact N-O 2.97Å; V265-Q268 WeakPolarHBondContact O-CB 3.44Å; V265-Q268 PolarHBondContact O-N 3.41Å; N266-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 VanDerWaalsContact O-N 3.08Å; Q268-W273 HydrophobicContact CG-CH2 3.57Å; Q268-W273 HydrophobicContact CG-CZ2 3.6Å |
| 269 | T | 90.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.2 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | W11 L73 L76 Q264 V271 W273 | W11-T269 HydrophobicContact CH2-CG2 3.73Å; W11-T269 HydrophobicContact CZ2-CG2 3.86Å; W11-T269 VanDerWaalsContact CZ2-OG1 3.27Å; W11-T269 WeakPolarHBondContact CZ2-OG1 3.38Å; L73-T269 HydrophobicContact CD2-CG2 4.15Å; L76-T269 HydrophobicContact CD2-CG2 4.09Å; Q264-T269 PolarHBondContact NE2-OG1 3.18Å; T269-V271 HydrophobicContact CG2-CB 4.37Å; T269-V271 HydrophobicContact CG2-CG2 4.37Å; T269-W273 PolarHBondContact O-NE1 3.4Å |
| 270 | V | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -116.5 | 12 | -171.6 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | H239 V262 I263 V265 W273 L278 | H239-V270 PolarHBondContact CD2-O 3.34Å; H239-V270 PolarHBondContact NE2-O 2.9Å; V262-V270 HydrophobicContact CG1-CG2 4.02Å; I263-V270 WeakPolarHBondContact O-CG2 3.5Å; I263-V270 PolarHBondContact O-N 3.47Å; V265-V270 HydrophobicContact CB-CG1 4.1Å; V265-V270 HydrophobicContact CG2-CG1 4.04Å; V265-V270 HydrophobicContact CG2-CG2 4.16Å; V270-W273 HydrophobicContact CB-CD2 3.92Å; V270-W273 HydrophobicContact CB-CE3 4Å; V270-W273 HydrophobicContact CB-CG 4.14Å; V270-W273 HydrophobicContact CG1-CD2 3.93Å; V270-W273 HydrophobicContact CG1-CE3 3.65Å; V270-W273 HydrophobicContact CG1-CH2 4.32Å; V270-W273 HydrophobicContact CG1-CZ3 3.86Å; V270-W273 VanDerWaalsContact O-CB 3.28Å; V270-W273 WeakPolarHBondContact O-CB 3.36Å; V270-W273 PolarHBondContact O-N 3.06Å; V270-L278 HydrophobicContact CB-CD1 3.78Å; V270-L278 HydrophobicContact CG1-CD1 4.07Å; V270-L278 HydrophobicContact CG2-CD1 3.55Å | ||
| 271 | V | 89.9 | Confident | 89.6 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 130.5 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | W19 L72 L73 L76 I263 T269 W273 | W19-V271 PolarHBondContact NE1-O 3.28Å; L72-V271 HydrophobicContact CB-CG1 3.5Å; L72-V271 HydrophobicContact CD1-CG1 4.29Å; L73-V271 HydrophobicContact CD2-CB 4.19Å; L73-V271 HydrophobicContact CD2-CG1 4.42Å; L76-V271 HydrophobicContact CD2-CG2 4.07Å; I263-V271 HydrophobicContact CD1-CG2 4.02Å; I263-V271 HydrophobicContact CG2-CG2 4.14Å; T269-V271 HydrophobicContact CG2-CB 4.37Å; T269-V271 HydrophobicContact CG2-CG2 4.37Å; V271-W273 VanDerWaalsContact C-N 3.32Å |
| 272 | G | 88.9 | Confident | 89.6 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -4.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L23 G237 | L23-G272 WeakPolarHBondContact CD2-O 3.3Å; G237-G272 WeakPolarHBondContact O-CA 3.36Å; G237-G272 PolarHBondContact O-N 2.83Å |
| 273 | W | 93.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | trans | -73.2 | 158.6 | -177.3 | -75.2 | 19.3 | 0 | 0 | 0 | 113 | W19 G22 H239 Q268 T269 V270 V271 N277 A281 | W19-W273 AromaticContact CD1-CD1 3.92Å; W19-W273 AromaticContact CD1-NE1 3.4Å; W19-W273 AromaticContact NE1-CD1 3.99Å; W19-W273 AromaticContact NE1-NE1 3.92Å; W19-W273 PolarHBondContact O-NE1 3.15Å; G22-W273 VanDerWaalsContact O-CA 3.31Å; G22-W273 WeakPolarHBondContact O-CA 3.15Å; G22-W273 VanDerWaalsContact O-CB 3.32Å; G22-W273 WeakPolarHBondContact O-CB 3.41Å; H239-W273 PolarHBondContact CE1-O 3.38Å; H239-W273 PolarHBondContact NE2-O 3.19Å; Q268-W273 HydrophobicContact CG-CH2 3.57Å; Q268-W273 HydrophobicContact CG-CZ2 3.6Å; T269-W273 PolarHBondContact O-NE1 3.4Å; V270-W273 HydrophobicContact CB-CD2 3.92Å; V270-W273 HydrophobicContact CB-CE3 4Å; V270-W273 HydrophobicContact CB-CG 4.14Å; V270-W273 HydrophobicContact CG1-CD2 3.93Å; V270-W273 HydrophobicContact CG1-CE3 3.65Å; V270-W273 HydrophobicContact CG1-CH2 4.32Å; V270-W273 HydrophobicContact CG1-CZ3 3.86Å; V270-W273 VanDerWaalsContact O-CB 3.28Å; V270-W273 WeakPolarHBondContact O-CB 3.36Å; V270-W273 PolarHBondContact O-N 3.06Å; V271-W273 VanDerWaalsContact C-N 3.32Å; W273-N277 HydrophobicContact CE3-CB 4.15Å; W273-A281 HydrophobicContact CZ3-CB 4.2Å | ||
| 274 | Q | 90.8 | Very high | 88.8 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | trans | -75.5 | 142.7 | 166.6 | -76.2 | -171.4 | 3.6 | 0 | 0 | 111.6 | G22 L23 D24 K276 N277 L278 | G22-Q274 PolarHBondContact O-N 3.03Å; L23-Q274 VanDerWaalsContact O-CG 3.25Å; L23-Q274 WeakPolarHBondContact O-CG 3.44Å; D24-Q274 PolarHBondContact OD2-NE2 2.86Å; Q274-K276 HydrophobicContact CB-CG 4.3Å; Q274-K276 PolarHBondContact O-N 3.44Å; Q274-N277 PolarHBondContact O-N 3.05Å; Q274-L278 PolarHBondContact O-N 3.29Å | ||
| 275 | L | 90.3 | Very high | 87.9 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -52.9 | -34 | 179.9 | -178.7 | 55.3 | 0 | 0 | 0 | 113.2 | I231 S233 L278 V279 | I231-L275 HydrophobicContact CB-CD1 4.35Å; I231-L275 HydrophobicContact CG2-CD1 4.1Å; S233-L275 WeakPolarHBondContact OG-CB 3.32Å; L275-L278 HydrophobicContact CD1-CD2 4.11Å; L275-V279 HydrophobicContact CD1-CG2 3.95Å; L275-V279 HydrophobicContact CG-CG2 4.41Å; L275-V279 WeakPolarHBondContact O-CB 3.36Å; L275-V279 WeakPolarHBondContact O-CG2 3.41Å; L275-V279 PolarHBondContact O-N 2.96Å |
| 276 | K | 90.6 | Very high | 86.6 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 33% | 0.326 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.5 | 81.2 | -165.8 | -171.6 | -152.7 | 0 | 111.5 | D25 Q274 V279 N280 | D25-K276 WeakPolarHBondContact OD1-CE 3.44Å; D25-K276 IonicContact OD1-NZ 3.53Å; D25-K276 PolarHBondContact OD1-NZ 3.04Å; D25-K276 IonicContact OD2-NZ 2.78Å; D25-K276 PolarHBondContact OD2-NZ 3.39Å; Q274-K276 HydrophobicContact CB-CG 4.3Å; Q274-K276 PolarHBondContact O-N 3.44Å; K276-V279 PolarHBondContact O-N 2.89Å; K276-N280 PolarHBondContact O-N 3.38Å; K276-N280 PolarHBondContact O-ND2 2.79Å; K276-N280 PolarHBondContact O-OD1 2.83Å |
| 277 | N | 90.6 | Very high | 85.5 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.3 | -41.9 | -176.7 | -64.6 | -18.1 | 0 | 0 | 0 | 110.1 | G22 L23 W273 Q274 V279 N280 A281 | G22-N277 VanDerWaalsContact C-ND2 3.32Å; G22-N277 PolarHBondContact O-ND2 3.14Å; L23-N277 PolarHBondContact O-ND2 3.1Å; L23-N277 VanDerWaalsContact O-ND2 3.08Å; W273-N277 HydrophobicContact CE3-CB 4.15Å; Q274-N277 PolarHBondContact O-N 3.05Å; N277-V279 VanDerWaalsContact C-N 3.33Å; N277-V279 PolarHBondContact O-N 3.2Å; N277-N280 PolarHBondContact O-N 3.36Å; N277-A281 PolarHBondContact O-N 2.91Å |
| 278 | L | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.6 | -49.3 | 167.3 | -180 | 75.8 | 0 | 0 | 0 | 111.7 | I231 H239 V262 V265 V270 Q274 L275 N280 A281 L282 | I231-L278 HydrophobicContact CD1-CD2 3.77Å; I231-L278 HydrophobicContact CG2-CD2 3.98Å; H239-L278 HydrophobicContact CB-CD2 4.04Å; V262-L278 HydrophobicContact CG1-CD1 4.2Å; V265-L278 HydrophobicContact CG2-CD1 3.79Å; V270-L278 HydrophobicContact CB-CD1 3.78Å; V270-L278 HydrophobicContact CG1-CD1 4.07Å; V270-L278 HydrophobicContact CG2-CD1 3.55Å; Q274-L278 PolarHBondContact O-N 3.29Å; L275-L278 HydrophobicContact CD1-CD2 4.11Å; L278-N280 VanDerWaalsContact C-N 3.26Å; L278-N280 PolarHBondContact O-N 3.36Å; L278-A281 PolarHBondContact O-N 2.83Å; L278-L282 HydrophobicContact CD2-CD1 4.4Å; L278-L282 HydrophobicContact CG-CD1 3.97Å; L278-L282 HydrophobicContact CG-CG 4.48Å; L278-L282 WeakPolarHBondContact O-CB 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.39Å |
| 279 | V | 89.2 | Confident | 84.9 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 26% | 0.255 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.9 | -25.6 | -178.5 | 167.8 | 0 | 0 | 0 | 0 | 112.4 | L275 K276 N277 R283 | L275-V279 HydrophobicContact CD1-CG2 3.95Å; L275-V279 HydrophobicContact CG-CG2 4.41Å; L275-V279 WeakPolarHBondContact O-CB 3.36Å; L275-V279 WeakPolarHBondContact O-CG2 3.41Å; L275-V279 PolarHBondContact O-N 2.96Å; K276-V279 PolarHBondContact O-N 2.89Å; N277-V279 VanDerWaalsContact C-N 3.33Å; N277-V279 PolarHBondContact O-N 3.2Å; V279-R283 VanDerWaalsContact O-CD 3.22Å; V279-R283 WeakPolarHBondContact O-CD 3.24Å; V279-R283 WeakPolarHBondContact O-CG 3.44Å |
| 280 | N | 88.4 | Confident | 84.8 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73.2 | -48.8 | 171.7 | -67.7 | -14.4 | 0 | 0 | 0 | 111.4 | K276 N277 L278 L282 R283 E284 | K276-N280 PolarHBondContact O-N 3.38Å; K276-N280 PolarHBondContact O-ND2 2.79Å; K276-N280 PolarHBondContact O-OD1 2.83Å; N277-N280 PolarHBondContact O-N 3.36Å; L278-N280 VanDerWaalsContact C-N 3.26Å; L278-N280 PolarHBondContact O-N 3.36Å; N280-L282 PolarHBondContact O-N 3.48Å; N280-R283 CarbonylContact O-C 3.42Å; N280-R283 WeakPolarHBondContact O-CA 3.45Å; N280-R283 WeakPolarHBondContact O-CB 3.49Å; N280-R283 PolarHBondContact O-N 2.79Å; N280-E284 WeakPolarHBondContact O-CG 3.49Å; N280-E284 PolarHBondContact O-N 3.45Å |
| 281 | A | 87.6 | Confident | 84.8 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V265 W273 N277 L278 R283 | V265-A281 HydrophobicContact CB-CB 4.5Å; V265-A281 HydrophobicContact CG1-CB 4.15Å; W273-A281 HydrophobicContact CZ3-CB 4.2Å; N277-A281 PolarHBondContact O-N 2.91Å; L278-A281 PolarHBondContact O-N 2.83Å; A281-R283 PolarHBondContact O-N 2.92Å |
| 282 | L | 86.7 | Confident | 84.7 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.6 | -1.8 | 172 | -70.2 | 173.1 | 0 | 0 | 0 | 114.7 | L227 M229 I231 V265 L278 N280 V289 L291 | L227-L282 HydrophobicContact CD1-CB 4.01Å; L227-L282 HydrophobicContact CD1-CD2 4.1Å; M229-L282 HydrophobicContact CE-CD1 4.31Å; M229-L282 HydrophobicContact CE-CD2 4.18Å; I231-L282 HydrophobicContact CD1-CD1 3.58Å; V265-L282 HydrophobicContact CB-CD2 4.49Å; V265-L282 HydrophobicContact CG1-CD2 3.83Å; V265-L282 HydrophobicContact CG1-CG 4.33Å; V265-L282 HydrophobicContact CG2-CD2 3.75Å; V265-L282 HydrophobicContact CG2-CG 4.2Å; L278-L282 HydrophobicContact CD2-CD1 4.4Å; L278-L282 HydrophobicContact CG-CD1 3.97Å; L278-L282 HydrophobicContact CG-CG 4.48Å; L278-L282 WeakPolarHBondContact O-CB 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.39Å; N280-L282 PolarHBondContact O-N 3.48Å; L282-V289 HydrophobicContact CD2-CG1 3.87Å; L282-L291 HydrophobicContact CD2-CD2 3.54Å |
| 283 | R | 83.2 | Confident | 84.7 | Confident | 184 Ų | 184 | 48.7 Ų | 48.7 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -126.1 | -17.7 | -178.2 | -71.5 | 171.1 | 177.7 | -176.9 | -1.9 | 114.1 | V279 N280 A281 D285 | V279-R283 VanDerWaalsContact O-CD 3.22Å; V279-R283 WeakPolarHBondContact O-CD 3.24Å; V279-R283 WeakPolarHBondContact O-CG 3.44Å; N280-R283 CarbonylContact O-C 3.42Å; N280-R283 WeakPolarHBondContact O-CA 3.45Å; N280-R283 WeakPolarHBondContact O-CB 3.49Å; N280-R283 PolarHBondContact O-N 2.79Å; A281-R283 PolarHBondContact O-N 2.92Å; R283-D285 PolarHBondContact O-N 3.39Å |
| 284 | E | 79.5 | Confident | 84.3 | Confident | 147 Ų | 147 | 48.7 Ų | 48.7 | 69% | 0.687 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.1 | -28.9 | -178.5 | -81.9 | 159.6 | -163.6 | 0 | 0 | 113 | N280 P286 | N280-E284 WeakPolarHBondContact O-CG 3.49Å; N280-E284 PolarHBondContact O-N 3.45Å; E284-P286 VanDerWaalsContact O-CD 3.28Å; E284-P286 WeakPolarHBondContact O-CD 3.37Å |
| 285 | D | 71.4 | Confident | 83.7 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | trans | -107.9 | 100.7 | -174.2 | -152.8 | -34.2 | 0 | 0 | 0 | 112.7 | N266 R283 S287 | N266-D285 VanDerWaalsContact ND2-CB 3.27Å; N266-D285 WeakPolarHBondContact ND2-CB 3.31Å; N266-D285 PolarHBondContact ND2-OD2 3.35Å; R283-D285 PolarHBondContact O-N 3.39Å; D285-S287 PolarHBondContact O-N 3.48Å; D285-S287 WeakPolarHBondContact OD1-CB 3.44Å; D285-S287 PolarHBondContact OD1-N 2.93Å; D285-S287 PolarHBondContact OD1-OG 3.04Å | ||
| 286 | P | 63.9 | Low | 82.8 | Confident | 104 Ų | 104 | 44.3 Ų | 44.3 | 68% | 0.675 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -76.8 | -9.6 | 179.2 | 32.7 | -36.6 | 0 | 0 | 0 | 113.1 | E284 | E284-P286 VanDerWaalsContact O-CD 3.28Å; E284-P286 WeakPolarHBondContact O-CD 3.37Å |
| 287 | S | 63.9 | Low | 81.3 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 65% | 0.65 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -76.6 | -33 | -179.4 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | D285 | D285-S287 PolarHBondContact O-N 3.48Å; D285-S287 WeakPolarHBondContact OD1-CB 3.44Å; D285-S287 PolarHBondContact OD1-N 2.93Å; D285-S287 PolarHBondContact OD1-OG 3.04Å |
| 288 | G | 75.2 | Confident | 79.7 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | 155.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L218 | L218-G288 CarbonylContact O-C 3.55Å; L218-G288 WeakPolarHBondContact O-CA 3.21Å |
| 289 | V | 87.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.8 | -178.4 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | L218 I221 L227 V265 L282 L291 | L218-V289 PolarHBondContact N-O 2.88Å; L218-V289 PolarHBondContact O-N 3.33Å; I221-V289 HydrophobicContact CD1-CB 4.27Å; I221-V289 HydrophobicContact CD1-CG2 3.74Å; L227-V289 HydrophobicContact CD1-CG2 4.5Å; V265-V289 HydrophobicContact CG1-CG1 3.99Å; L282-V289 HydrophobicContact CD2-CG1 3.87Å; V289-L291 HydrophobicContact CG1-CD2 3.61Å; V289-L291 HydrophobicContact CG1-CG 4.09Å |
| 290 | I | 88.5 | Confident | 75 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.7 | 174.2 | -60.4 | 174 | 0 | 0 | 0 | 108.4 | V215 Q217 V265 N266 | V215-I290 HydrophobicContact CG1-CG2 3.61Å; Q217-I290 HydrophobicContact CG-CG1 4.09Å; V265-I290 CarbonylContact C-O 3.53Å; V265-I290 WeakPolarHBondContact CA-O 3.4Å; N266-I290 PolarHBondContact N-O 3.44Å; N266-I290 PolarHBondContact OD1-N 2.87Å |
| 291 | L | 90.1 | Very high | 72.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.1 | 179.3 | -58.1 | 177.6 | 0 | 0 | 0 | 110.4 | V215 I216 L218 M229 I256 V265 L282 V289 L293 | V215-L291 CarbonylContact C-O 3.59Å; V215-L291 WeakPolarHBondContact CA-O 3.44Å; I216-L291 PolarHBondContact N-O 2.82Å; I216-L291 PolarHBondContact O-N 2.98Å; L218-L291 HydrophobicContact CD1-CD1 3.75Å; L218-L291 HydrophobicContact CG-CD1 4.37Å; M229-L291 HydrophobicContact CE-CD1 3.87Å; M229-L291 HydrophobicContact SD-CD1 3.8Å; I256-L291 HydrophobicContact CD1-CD1 4.01Å; V265-L291 HydrophobicContact CG1-CD2 4.45Å; V265-L291 HydrophobicContact CG2-CD2 3.95Å; L282-L291 HydrophobicContact CD2-CD2 3.54Å; V289-L291 HydrophobicContact CG1-CD2 3.61Å; V289-L291 HydrophobicContact CG1-CG 4.09Å; L291-L293 HydrophobicContact CB-CD2 4.05Å; L291-L293 HydrophobicContact CB-CG 4.36Å |
| 292 | T | 89.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.1 | 164.1 | -52.9 | 0 | 0 | 0 | 0 | 107.7 | I4 L213 V215 I263 Q264 | I4-T292 HydrophobicContact CG2-CG2 4.2Å; L213-T292 HydrophobicContact CB-CG2 4.21Å; L213-T292 HydrophobicContact CD1-CG2 4.02Å; L213-T292 HydrophobicContact CD2-CG2 4.19Å; L213-T292 HydrophobicContact CG-CG2 4.37Å; V215-T292 HydrophobicContact CG2-CG2 4.45Å; I263-T292 WeakPolarHBondContact CB-O 3.34Å; I263-T292 PolarHBondContact N-O 2.95Å; Q264-T292 HydrophobicContact CG-CG2 4.43Å; Q264-T292 PolarHBondContact N-O 3.15Å; Q264-T292 VanDerWaalsContact N-O 3.16Å; Q264-T292 PolarHBondContact O-N 3.01Å; Q264-T292 PolarHBondContact OE1-OG1 3.07Å |
| 293 | L | 87.8 | Confident | 68.1 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.4 | -179.7 | -57.3 | -168.2 | 0 | 0 | 0 | 112.1 | L213 E214 I216 I241 I256 D260 E261 V262 L291 K295 | L213-L293 WeakPolarHBondContact CA-O 3.24Å; E214-L293 PolarHBondContact N-O 2.97Å; E214-L293 PolarHBondContact O-N 3.44Å; I216-L293 HydrophobicContact CD1-CD1 3.66Å; I216-L293 HydrophobicContact CD1-CG 4.13Å; I241-L293 HydrophobicContact CD1-CD1 3.81Å; I241-L293 HydrophobicContact CD1-CD2 4.13Å; I256-L293 HydrophobicContact CG1-CD1 4.11Å; D260-L293 HydrophobicContact CB-CD1 4.13Å; E261-L293 CarbonylContact O-C 3.54Å; E261-L293 WeakPolarHBondContact O-CA 3.48Å; E261-L293 WeakPolarHBondContact O-CB 3.4Å; E261-L293 WeakPolarHBondContact O-CD2 3.4Å; V262-L293 HydrophobicContact CB-CD2 4.18Å; V262-L293 HydrophobicContact CG1-CD2 4.23Å; V262-L293 HydrophobicContact CG2-CD2 3.94Å; L291-L293 HydrophobicContact CB-CD2 4.05Å; L291-L293 HydrophobicContact CB-CG 4.36Å; L293-K295 HydrophobicContact CB-CD 4.19Å; L293-K295 PolarHBondContact O-N 3.28Å |
| 294 | K | 84.3 | Confident | 66 | Low | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 104.9 | 164.8 | -164.4 | -175.5 | -175 | 178.7 | 0 | 107.7 | L80 E83 A211 L213 E261 I263 | L80-K294 HydrophobicContact CD2-CD 4.15Å; L80-K294 HydrophobicContact CD2-CG 4.05Å; E83-K294 IonicContact OE2-NZ 2.73Å; E83-K294 PolarHBondContact OE2-NZ 2.85Å; E83-K294 VanDerWaalsContact OE2-NZ 3.14Å; A211-K294 HydrophobicContact CB-CD 4.35Å; A211-K294 HydrophobicContact CB-CG 4.01Å; L213-K294 HydrophobicContact CD2-CB 4.27Å; E261-K294 HydrophobicContact CB-CB 3.97Å; E261-K294 HydrophobicContact CG-CB 4.25Å; E261-K294 PolarHBondContact N-O 3.02Å; E261-K294 PolarHBondContact O-N 2.82Å; E261-K294 WeakPolarHBondContact OE2-CD 3.25Å; I263-K294 HydrophobicContact CD1-CB 3.95Å; I263-K294 HydrophobicContact CG1-CB 3.81Å |
| 295 | K | 79.5 | Confident | 64.3 | Low | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136.5 | 176.8 | -54.6 | -60 | -68.8 | -159.4 | 0 | 109.8 | A211 H212 E214 K255 D260 L293 | A211-K295 VanDerWaalsContact CA-O 3.32Å; A211-K295 WeakPolarHBondContact CA-O 3.38Å; H212-K295 VanDerWaalsContact CE1-CB 3.47Å; H212-K295 WeakPolarHBondContact CE1-CB 3.49Å; H212-K295 PolarHBondContact N-O 3.41Å; H212-K295 VanDerWaalsContact N-O 3.17Å; H212-K295 WeakPolarHBondContact NE2-CB 3.43Å; H212-K295 WeakPolarHBondContact O-CA 3.45Å; H212-K295 VanDerWaalsContact O-CB 3.31Å; H212-K295 WeakPolarHBondContact O-CB 3.47Å; H212-K295 PolarHBondContact O-N 3.15Å; E214-K295 HydrophobicContact CB-CD 3.72Å; E214-K295 HydrophobicContact CB-CG 3.45Å; E214-K295 VanDerWaalsContact CB-CG 3.45Å; E214-K295 WeakPolarHBondContact OE2-CD 3.32Å; E214-K295 WeakPolarHBondContact OE2-CE 3.35Å; E214-K295 IonicContact OE2-NZ 2.71Å; E214-K295 PolarHBondContact OE2-NZ 3.01Å; K255-K295 PolarHBondContact O-NZ 3.09Å; D260-K295 WeakPolarHBondContact OD2-CE 3.25Å; D260-K295 IonicContact OD2-NZ 3.9Å; D260-K295 PolarHBondContact OD2-NZ 3.12Å; L293-K295 HydrophobicContact CB-CD 4.19Å; L293-K295 PolarHBondContact O-N 3.28Å |
| 296 | R | 70.2 | Confident | 62.9 | Low | 29 Ų | 29 | 52.4 Ų | 52.4 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 154.4 | 173 | -62.9 | 165.7 | -67.7 | 124.6 | 5.8 | 109.9 | S145 A258 G259 D260 | S145-R296 VanDerWaalsContact C-NH1 3.34Å; S145-R296 VanDerWaalsContact O-CD 3.29Å; S145-R296 WeakPolarHBondContact O-CD 3.46Å; S145-R296 PolarHBondContact O-NH1 3.18Å; S145-R296 PolarHBondContact OG-NH1 2.81Å; A258-R296 VanDerWaalsContact O-CZ 3.29Å; A258-R296 PolarHBondContact O-NH2 3.3Å; G259-R296 VanDerWaalsContact O-CD 3.24Å; G259-R296 WeakPolarHBondContact O-CD 3.31Å; G259-R296 PolarHBondContact O-NE 2.82Å; D260-R296 IonicContact OD1-CZ 2.68Å; D260-R296 IonicContact OD1-NE 2.66Å; D260-R296 PolarHBondContact OD1-NE 2.74Å; D260-R296 VanDerWaalsContact OD1-NE 3.09Å; D260-R296 IonicContact OD1-NH2 2.91Å; D260-R296 PolarHBondContact OD1-NH2 3.22Å |
| 297 | P | 59.5 | Low | 61.9 | Low | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 142.7 | 164.3 | 28.3 | -37.8 | 0 | 0 | 0 | 111 | W141 F147 Q209 | W141-P297 HydrophobicContact CZ3-CG 3.91Å; F147-P297 HydrophobicContact CE2-CG 4.36Å; F147-P297 HydrophobicContact CZ-CG 4.35Å; Q209-P297 HydrophobicContact CB-CB 3.4Å; Q209-P297 HydrophobicContact CG-CB 4.39Å; Q209-P297 VanDerWaalsContact OE1-CA 3.23Å; Q209-P297 VanDerWaalsContact OE1-CB 3.28Å |
| 298 | Q | 57.8 | Low | 61.1 | Low | 68 Ų | 68 | 49.9 Ų | 49.9 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | trans | -135.9 | 135.5 | -178.8 | -65.5 | -170.7 | -0.9 | 0 | 0 | 110.9 | Q209 | Q209-Q298 PolarHBondContact NE2-O 3.48Å; Q209-Q298 PolarHBondContact OE1-O 3.49Å | ||
| 299 | S | 42.6 | Very low | 59.5 | Low | 46 Ų | 46 | 56.6 Ų | 56.6 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | trans | -76.9 | 130.2 | 163.1 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | L301 | S299-L301 PolarHBondContact O-N 3.2Š| ||
| 300 | M | 38.9 | Very low | 57.2 | Low | 175 Ų | 175 | 64.1 Ų | 64.1 | 86% | 0.862 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 14.1 | -169.6 | -55 | -154.5 | -54 | 0 | 0 | 115.2 | ||
| 301 | L | 37.5 | Very low | 54.5 | Low | 160 Ų | 160 | 68.9 Ų | 68.9 | 84% | 0.838 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 3 | -172 | -60.5 | 177.2 | 0 | 0 | 0 | 114.1 | S299 | S299-L301 PolarHBondContact O-N 3.2Š|
| 302 | T | 40.3 | Very low | 52 | Low | 112 Ų | 112 | 80.6 Ų | 80.6 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | trans | -146.2 | 53.8 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 113 | A304 | T302-A304 PolarHBondContact O-N 3.25Š| ||
| 303 | S | 38.8 | Very low | 49 | Very low | 96 Ų | 96 | 90.8 Ų | 90.8 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | trans | -79.8 | 55.7 | 175.6 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 304 | A | 39.2 | Very low | 46.2 | Very low | 70 Ų | 70 | 100 Ų | 100 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | trans | -84.5 | 121.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T302 | T302-A304 PolarHBondContact O-N 3.25Š| ||
| 305 | P | 44.3 | Very low | 43.5 | Very low | 42 Ų | 42 | 104.5 Ų | 104.5 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | trans | -62.3 | 145.4 | 171.3 | 26.8 | -33.7 | 0 | 0 | 0 | 110 | K254 L307 | K254-P305 HydrophobicContact CD-CB 4.12Å; K254-P305 HydrophobicContact CD-CG 4.15Å; P305-L307 HydrophobicContact CB-CD2 4.37Å; P305-L307 HydrophobicContact CG-CD2 4.43Å; P305-L307 HydrophobicContact CG-CG 4.29Å; P305-L307 PolarHBondContact O-N 3.5Å | ||
| 306 | A | 41.7 | Very low | 41.3 | Very low | 28 Ų | 28 | 112.3 Ų | 112.3 | 23% | 0.231 | 58% | 0.575 | C | S | . | * | trans | -78.9 | 59.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T244 A258 L308 | T244-A306 PolarHBondContact N-O 2.98Å; A258-A306 HydrophobicContact CB-CB 3.48Å; A258-A306 VanDerWaalsContact CB-CB 3.48Å; A306-L308 PolarHBondContact O-N 2.9Å | ||
| 307 | L | 42.3 | Very low | 39.4 | Very low | 56 Ų | 56 | 115.1 Ų | 115.1 | 29% | 0.293 | 60% | 0.604 | S | S | . | * | B | Isolated β-bridge | trans | -68.1 | 119.1 | 179.1 | -54.6 | -172.5 | 0 | 0 | 0 | 110.8 | E246 D251 P305 K309 | E246-L307 HydrophobicContact CG-CB 4.28Å; E246-L307 HydrophobicContact CG-CD1 4.36Å; E246-L307 HydrophobicContact CG-CD2 4.1Å; E246-L307 HydrophobicContact CG-CG 4.47Å; D251-L307 WeakPolarHBondContact OD1-CD2 3.33Å; P305-L307 HydrophobicContact CB-CD2 4.37Å; P305-L307 HydrophobicContact CG-CD2 4.43Å; P305-L307 HydrophobicContact CG-CG 4.29Å; P305-L307 PolarHBondContact O-N 3.5Å; L307-K309 HydrophobicContact CB-CG 4.47Å; L307-K309 PolarHBondContact O-N 3.34Å |
| 308 | L | 47.5 | Very low | 38 | Very low | 88 Ų | 88 | 123 Ų | 123 | 46% | 0.461 | 65% | 0.645 | S | S | . | * | trans | -76.5 | 63.4 | 178.4 | -69.3 | 176.7 | 0 | 0 | 0 | 112.9 | Y230 A306 N310 | Y230-L308 HydrophobicContact CD2-CD1 3.53Å; Y230-L308 HydrophobicContact CE2-CD1 3.54Å; Y230-L308 HydrophobicContact CG-CD1 4.3Å; A306-L308 PolarHBondContact O-N 2.9Å; L308-N310 PolarHBondContact O-N 3.1Å; L308-N310 VanDerWaalsContact O-N 3.14Å | ||
| 309 | K | 42.2 | Very low | 36.7 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 112.8 | 174.4 | -71.5 | -171.4 | 173.7 | -179.1 | 0 | 110.8 | E246 L307 | E246-K309 WeakPolarHBondContact OE1-CE 3.44Å; E246-K309 WeakPolarHBondContact OE1-CG 3.45Å; E246-K309 IonicContact OE1-NZ 3.91Å; L307-K309 HydrophobicContact CB-CG 4.47Å; L307-K309 PolarHBondContact O-N 3.34Å |
| 310 | N | 38.7 | Very low | 36.1 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.1 | 39.4 | 167 | -53.7 | -49.2 | 0 | 0 | 0 | 118.8 | L308 | L308-N310 PolarHBondContact O-N 3.1Å; L308-N310 VanDerWaalsContact O-N 3.14Å |
| 311 | M | 32.6 | Very low | 35.5 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -90.4 | 106.8 | 150.4 | -78 | -60.3 | -65.6 | 0 | 0 | 110.2 | W313 | M311-W313 VanDerWaalsContact C-N 3.35Å; M311-W313 PolarHBondContact O-N 3.27Å | ||
| 312 | R | 36.8 | Very low | 35.3 | Very low | 246 Ų | 246 | 131.3 Ų | 131.3 | 93% | 0.928 | 69% | 0.69 | S | S | * | * | trans | -71.7 | 80.3 | -173.8 | -176.2 | -178.9 | 164.8 | 158.8 | -4.2 | 112.5 | ||||
| 313 | W | 26.5 | Very low | 34.8 | Very low | 214 Ų | 214 | 131.6 Ų | 131.6 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -122.5 | 111.4 | 166 | -66.2 | 102.5 | 0 | 0 | 0 | 109.3 | M311 | M311-W313 VanDerWaalsContact C-N 3.35Å; M311-W313 PolarHBondContact O-N 3.27Å | ||
| 314 | K | 29.9 | Very low | 34.3 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 124 | 165 | -75.5 | -168.6 | 173.5 | -168.6 | 0 | 108.1 | ||
| 315 | P | 26.6 | Very low | 34 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 151.4 | 157.6 | -18.9 | 32.7 | 0 | 0 | 0 | 110.2 | ||
| 316 | L | 33.7 | Very low | 33.7 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 149.7 | 163.8 | -72.8 | 169.3 | 0 | 0 | 0 | 108.7 | ||
| 317 | A | 30.3 | Very low | 33 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | 65.4 | 143 | -164 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 318 | L | 30.6 | Very low | 32.4 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | cis | -121.6 | 154.1 | 2.8 | -68.3 | 159.8 | 0 | 0 | 0 | 110.5 | ||||
| 319 | Q | 29.6 | Very low | 31.5 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91 | 130.4 | 166.2 | -71 | -171 | 30.6 | 0 | 0 | 110.5 | ||
| 320 | P | 30.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 132.9 | 158.5 | -10.5 | 28 | 0 | 0 | 0 | 110.1 | ||
| 321 | L | 26.3 | Very low | 30.3 | Very low | 170 Ų | 170 | 148 Ų | 148 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 143.5 | 172.8 | -75 | 160.1 | 0 | 0 | 0 | 111 | ||
| 322 | I | 32.5 | Very low | 30.2 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -100.5 | 115.7 | 177 | -59.4 | 171.8 | 0 | 0 | 0 | 109.4 | ||||
| 323 | P | 30.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.6 | 163 | -13.9 | 29.8 | 0 | 0 | 0 | 109.8 | ||
| 324 | R | 28.8 | Very low | 30.1 | Very low | 242 Ų | 242 | 135.7 Ų | 135.7 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 136.5 | 173.8 | -71.5 | -178.4 | 175.9 | 172.2 | -1 | 110.8 | ||
| 325 | S | 31.6 | Very low | 30 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 152.6 | 176 | -33.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 326 | P | 38.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 131.6 | 157.1 | 33.4 | -26.6 | 0 | 0 | 0 | 112.8 | ||
| 327 | T | 27.7 | Very low | 29.9 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 5 | 148 | 138.5 | 52.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 328 | S | 28.8 | Very low | 29.7 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | cis | -178 | 178.2 | 17.9 | -108.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 329 | S | 28.8 | Very low | 29.4 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -171.5 | -149 | -16.2 | 57 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 330 | V | 28.3 | Very low | 30 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | 72.2 | 129.5 | 171.2 | -174.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 331 | A | 28.8 | Very low | 29.9 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | -150.6 | 170.7 | -8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 332 | T | 29 | Very low | 30.1 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -105.1 | 173.5 | 175.3 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 333 | P | 35.3 | Very low | 30 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | -130 | 163.8 | 79.4 | 15.8 | 7.5 | 0 | 0 | 0 | 113 | |||||
| 334 | S | 27 | Very low | 29.7 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | cis | 77.4 | 142.2 | 35.4 | -91 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 335 | S | 27.8 | Very low | 29.9 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -169.1 | -170.2 | -6.9 | -116.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 336 | T | 28.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | trans | 80.1 | 138.4 | 169.4 | 76.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 337 | I | 29.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | cis | -156.5 | 163.5 | 2.8 | -134.4 | 177.1 | 0 | 0 | 0 | 108.4 | ||||
| 338 | S | 24.5 | Very low | 29.8 | Very low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | cis | -145.9 | -124.1 | 2.9 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 339 | T | 25.6 | Very low | 29.8 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | trans | -167.3 | -170.1 | -151.4 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 340 | P | 41.6 | Very low | 29.9 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 62% | 0.623 | 72% | 0.719 | S | S | * | * | cis | -137.8 | -174.4 | -35.8 | 27 | -4 | 0 | 0 | 0 | 115.6 | ||||
| 341 | T | 27.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 123 Ų | 123 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | trans | 75.9 | 156.8 | 154.8 | 70.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 342 | K | 30.6 | Very low | 30.2 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 79% | 0.787 | 72% | 0.719 | S | S | * | * | cis | -167.3 | 170.3 | -20.7 | -102.4 | 174 | -177.5 | 177.6 | 0 | 106.3 | ||||
| 343 | R | 30.7 | Very low | 30.4 | Very low | 196 Ų | 196 | 129 Ų | 129 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | cis | -137.2 | -146.5 | -1.5 | -133.9 | -166.6 | -30.4 | 149.8 | -4.2 | 107.4 | ||||
| 344 | D | 25.5 | Very low | 30.4 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 52% | 0.519 | 71% | 0.713 | S | S | . | * | cis | -156.2 | 165.2 | 5.1 | -135.1 | -34.6 | 0 | 0 | 0 | 110.6 | ||||
| 345 | S | 32.1 | Very low | 30.9 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -175.9 | 161.2 | 179.8 | -85.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 346 | S | 32.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | cis | -171.3 | 177.9 | -17.1 | 55.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 347 | A | 27.9 | Very low | 31.7 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | -142.3 | 118 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 348 | L | 35.9 | Very low | 31.7 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | 68.3 | 139.3 | 68.4 | -58.5 | 178.8 | 0 | 0 | 0 | 112.4 | |||||
| 349 | Q | 27.8 | Very low | 32.1 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | cis | -162.4 | 165.8 | -6.4 | -120.7 | 175.5 | -64.4 | 0 | 0 | 108.6 | ||||
| 350 | D | 31.8 | Very low | 33 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | cis | -128.8 | -111.6 | -7.6 | -160.3 | -49.8 | 0 | 0 | 0 | 109.9 | ||||
| 351 | L | 33.4 | Very low | 32.4 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | cis | -135.6 | 157.3 | -6.2 | -106 | 179.2 | 0 | 0 | 0 | 109.9 | ||||
| 352 | Y | 30 | Very low | 32.6 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | -120.4 | 145 | -168.6 | -168.8 | -94.8 | 0 | 0 | 0 | 113.7 | P354 | Y352-P354 HydrophobicContact CE1-CB 4.34Š| ||
| 353 | I | 33.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -128.7 | 127.7 | 170.6 | -58.5 | 179.1 | 0 | 0 | 0 | 108.5 | ||||
| 354 | P | 34.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 62% | 0.617 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 154.7 | -176.8 | 32.7 | -36 | 0 | 0 | 0 | 113.3 | Y352 | Y352-P354 HydrophobicContact CE1-CB 4.34Š|
| 355 | P | 37.1 | Very low | 32.9 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 153 | 171.5 | 32.6 | -35 | 0 | 0 | 0 | 112.2 | ||
| 356 | P | 35.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 159.6 | -179.9 | 31.7 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 357 | P | 37.3 | Very low | 32.9 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 163.1 | 175.3 | -17.7 | 32.4 | 0 | 0 | 0 | 113.8 | ||
| 358 | A | 30.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -109.2 | 111.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 359 | E | 32.7 | Very low | 32.4 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 60 | 167 | 159.4 | -62.4 | -172.6 | 170.4 | 0 | 0 | 118.4 | ||||
| 360 | P | 42.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | -123.5 | 136.8 | -50.4 | 33.7 | -21.7 | 0 | 0 | 0 | 111 | |||||
| 361 | Y | 28.9 | Very low | 32.7 | Very low | 227 Ų | 227 | 143 Ų | 143 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -97.5 | 136.3 | -179.7 | -153.3 | -98 | 0 | 0 | 0 | 113.5 | ||||
| 362 | I | 33 | Very low | 32.4 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | trans | -98.6 | 135.5 | -175.4 | -62.6 | 169 | 0 | 0 | 0 | 109.1 | R364 | I362-R364 PolarHBondContact O-N 3.38Š| ||
| 363 | P | 37.1 | Very low | 32.3 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -78.4 | 110.7 | 179.9 | 30.5 | -33.6 | 0 | 0 | 0 | 111.9 | ||||
| 364 | R | 27.9 | Very low | 32 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -153.3 | 130.6 | 160 | -102.2 | -165.2 | 176.7 | -115.8 | 5.9 | 113.6 | I362 | I362-R364 PolarHBondContact O-N 3.38Š| ||
| 365 | D | 28.7 | Very low | 31.8 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 60% | 0.599 | 77% | 0.766 | S | S | * | * | trans | 70.3 | 111.1 | 130.8 | -56.4 | -6.2 | 0 | 0 | 0 | 123.1 | ||||
| 366 | E | 32 | Very low | 31.4 | Very low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 106.2 | 133.8 | 120.9 | -84.2 | -143.3 | 122.6 | 0 | 0 | 124.4 | |||||
| 367 | K | 30.6 | Very low | 31.1 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 72.5 | 127.4 | 146.9 | -74.8 | 174.6 | 166.2 | 84.5 | 0 | 120.5 | ||||
| 368 | G | 26.9 | Very low | 30.8 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 176.9 | 16.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 369 | N | 27.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 149 Ų | 149 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 162.8 | 150.6 | 144.3 | -82 | -24.4 | 0 | 0 | 0 | 114.8 | ||||
| 370 | L | 32 | Very low | 30.6 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -114.5 | 169.6 | 169.2 | -73.5 | 171.8 | 0 | 0 | 0 | 107.8 | ||||
| 371 | P | 34.8 | Very low | 29.9 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -130.1 | -170.6 | 35.2 | 16.2 | 12.1 | 0 | 0 | 0 | 113.9 | ||||
| 372 | C | 25.3 | Very low | 30 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | cis | -168.4 | 171.2 | -28.5 | -175 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 373 | E | 27.9 | Very low | 30.3 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 69.9 | 145.6 | 172 | -68.2 | -171.3 | 177.9 | 0 | 0 | 118.9 | ||||
| 374 | D | 28.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | -160.2 | 170.8 | -33.5 | -145.4 | -10.3 | 0 | 0 | 0 | 113.8 | ||||
| 375 | L | 30.4 | Very low | 30 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 61% | 0.607 | 78% | 0.779 | S | S | * | * | trans | 64.2 | 110.7 | 157 | -99.1 | 72.4 | 0 | 0 | 0 | 123.7 | ||||
| 376 | R | 28.7 | Very low | 30.3 | Very low | 231 Ų | 231 | 146.9 Ų | 146.9 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | 58.6 | 137.5 | 129.2 | -62.8 | 172.1 | -161.1 | -97 | 1.7 | 123.3 | |||||
| 377 | G | 29.4 | Very low | 30.1 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 173.5 | 144 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 378 | H | 31.1 | Very low | 30.3 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | trans | -115.9 | 129.7 | -178.1 | -89.7 | -83 | 0 | 0 | 0 | 114 | ||||
| 379 | M | 29.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 78% | 0.778 | 81% | 0.81 | S | S | * | * | trans | 52.8 | 148.2 | 132 | -55.9 | 178.1 | 71.1 | 0 | 0 | 123.3 | ||||
| 380 | V | 31.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | trans | 81.2 | 116.3 | 163.4 | -166.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 381 | G | 27.1 | Very low | 30.6 | Very low | 76 Ų | 76 | 141.8 Ų | 141.8 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 157.8 | 122.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 382 | K | 31.2 | Very low | 30.6 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -91.4 | 156.5 | 154.4 | -84.5 | -177.5 | 179 | 178.6 | 0 | 107 | ||||
| 383 | P | 39.7 | Very low | 31 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -154.5 | 158.2 | 43.3 | 42.4 | -21 | 0 | 0 | 0 | 120.5 | ||||
| 384 | V | 27.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 75.5 | 148.3 | 133.3 | 165 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 385 | H | 30.8 | Very low | 31.3 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | 62.3 | 108.4 | 165.1 | -71.8 | -38.3 | 0 | 0 | 0 | 121.2 | ||||
| 386 | K | 34.8 | Very low | 31.5 | Very low | 212 Ų | 212 | 148.7 Ų | 148.7 | 92% | 0.922 | 83% | 0.827 | S | S | * | * | -168.8 | 160.4 | 93.8 | -100.4 | 167.6 | -173.6 | 175.2 | 0 | 112.4 | |||||
| 387 | G | 27.7 | Very low | 31.6 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -95.2 | 171.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 388 | S | 34.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -54.7 | 140.1 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 389 | E | 29.8 | Very low | 31.7 | Very low | 194 Ų | 194 | 154.2 Ų | 154.2 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | trans | -127.9 | 153.3 | 147 | -76 | -162.2 | 127.8 | 0 | 0 | 110.3 | ||||
| 390 | S | 31.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 158 Ų | 158 | 68% | 0.678 | 84% | 0.841 | S | S | * | * | trans | -109.6 | 153 | -167.3 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | N392 | S390-N392 VanDerWaalsContact C-N 3.25Å; S390-N392 PolarHBondContact O-N 2.88Å | ||
| 391 | P | 32 | Very low | 31.5 | Very low | 139 Ų | 139 | 160.4 Ų | 160.4 | 90% | 0.903 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -77.3 | 32.5 | -157.7 | -18.6 | 34.9 | 0 | 0 | 0 | 117.8 | ||
| 392 | N | 34.3 | Very low | 31.5 | Very low | 168 Ų | 168 | 167.5 Ų | 167.5 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | trans | -130 | 35.7 | -172.7 | -112 | -13.6 | 0 | 0 | 0 | 113.9 | S390 | S390-N392 VanDerWaalsContact C-N 3.25Å; S390-N392 PolarHBondContact O-N 2.88Å | ||
| 393 | S | 33.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 167.5 Ų | 167.5 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | trans | -108.2 | 75.1 | 173.2 | -167.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 394 | F | 30.4 | Very low | 30.4 | Very low | 199 Ų | 199 | 169.5 Ų | 169.5 | 87% | 0.873 | 85% | 0.847 | S | S | * | * | trans | -150.1 | 78.5 | 177.6 | -161.6 | -91.5 | 0 | 0 | 0 | 112.5 | ||||
| 395 | L | 34.2 | Very low | 30.6 | Very low | 174 Ų | 174 | 170.5 Ų | 170.5 | 91% | 0.911 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -164.8 | 11 | 162.9 | -117.4 | 169.5 | 0 | 0 | 0 | 115.4 | ||
| 396 | D | 33.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 168.5 Ų | 168.5 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -137.3 | 33.3 | -169.7 | -155.9 | 32.9 | 0 | 0 | 0 | 113.5 | ||
| 397 | Q | 31.7 | Very low | 30.3 | Very low | 183 Ų | 183 | 165.8 Ų | 165.8 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -124.4 | 6.7 | -178.3 | -71.4 | -161.2 | 2.6 | 0 | 0 | 116 | ||||
| 398 | E | 31.5 | Very low | 30.3 | Very low | 181 Ų | 181 | 170.7 Ų | 170.7 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -114.1 | 80.7 | 177 | -67.3 | -169.2 | 130.8 | 0 | 0 | 111.9 | ||||
| 399 | Y | 30.2 | Very low | 30 | Very low | 237 Ų | 237 | 171.4 Ų | 171.4 | 93% | 0.929 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -170.2 | 36.7 | 142.9 | -107.3 | -63.6 | 0 | 0 | 0 | 115 | ||
| 400 | R | 26.7 | Very low | 29.8 | Very low | 238 Ų | 238 | 168.2 Ų | 168.2 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -146.7 | 96.8 | 168.3 | -89.5 | -168.3 | 169.8 | 174.5 | -4.3 | 114 | ||||
| 401 | K | 28.6 | Very low | 29.6 | Very low | 201 Ų | 201 | 169.2 Ų | 169.2 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -178.2 | 160.9 | 140 | -106.9 | 168.7 | -178 | -179.3 | 0 | 112.6 | ||||
| 402 | R | 28.3 | Very low | 29.3 | Very low | 224 Ų | 224 | 169.6 Ų | 169.6 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | 71.6 | 140.3 | -169.8 | -57.1 | -179.7 | -101.4 | -114.6 | 4.4 | 111.9 | ||||
| 403 | F | 22.8 | Very low | 28.8 | Very low | 209 Ų | 209 | 171.1 Ų | 171.1 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | cis | -101.4 | -171.3 | 15.1 | -91.8 | -96.3 | 0 | 0 | 0 | 116 | ||||
| 404 | N | 25.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 171.3 Ų | 171.3 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -123.5 | 169.6 | -165.7 | -164.2 | 34.7 | 0 | 0 | 0 | 112 | ||||
| 405 | I | 31.7 | Very low | 28.1 | Very low | 141 Ų | 141 | 170.9 Ų | 170.9 | 72% | 0.723 | 81% | 0.812 | S | S | * | * | trans | -87.2 | 147.8 | 172.6 | -73.1 | 168.9 | 0 | 0 | 0 | 111.2 | ||||
| 406 | V | 27.5 | Very low | 27.5 | Very low | 129 Ų | 129 | 170.4 Ų | 170.4 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -169.6 | 159.6 | 143 | 135.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 407 | E | 30.5 | Very low | 27 | Very low | 155 Ų | 155 | 172.7 Ų | 172.7 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | -89.3 | -178.4 | -157.6 | -63.1 | 120.8 | 126.5 | 0 | 0 | 119.2 | ||||
| 408 | E | 28.5 | Very low | 26.6 | Very low | 177 Ų | 177 | 170.3 Ų | 170.3 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 95.4 | 121.2 | 140 | -92.5 | 176.9 | 168.4 | 0 | 0 | 123.3 | ||||
| 409 | D | 27.9 | Very low | 26.3 | Very low | 129 Ų | 129 | 169.8 Ų | 169.8 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | 46.8 | 120.9 | 137.2 | -80.6 | 29 | 0 | 0 | 0 | 123.5 | ||||
| 410 | T | 26.5 | Very low | 26 | Very low | 128 Ų | 128 | 161.9 Ų | 161.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | -173.4 | 130.6 | 88.2 | 25.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 411 | V | 26.8 | Very low | 26.1 | Very low | 117 Ų | 117 | 162.3 Ų | 162.3 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | trans | 24.2 | 126.2 | 141.3 | -153.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 412 | L | 24.5 | Very low | 26 | Very low | 147 Ų | 147 | 158 Ų | 158 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | 177.3 | 146.1 | 111.2 | -93.1 | 172.4 | 0 | 0 | 0 | 117.7 | |||||
| 413 | Y | 25.1 | Very low | 26 | Very low | 201 Ų | 201 | 152.4 Ų | 152.4 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 134.3 | 160.9 | -90.6 | -74.5 | 0 | 0 | 0 | 123.4 | ||||
| 414 | C | 22.2 | Very low | 26.3 | Very low | 109 Ų | 109 | 147 Ų | 147 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -110.1 | 171.1 | 177.7 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 415 | Y | 26.9 | Very low | 26.6 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 156.3 | 117.5 | 128.3 | -96 | -88.5 | 0 | 0 | 0 | 107.5 | |||||
| 416 | E | 20 | Very low | 26.5 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | 94.9 | 151.1 | 58.7 | -138.2 | 180 | -134.1 | 0 | 0 | 113.8 | |||||
| 417 | Y | 23.9 | Very low | 26.7 | Very low | 213 Ų | 213 | 149 Ų | 149 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -32.7 | 159.3 | 175.9 | -87.5 | -141.7 | 0 | 0 | 0 | 117.5 | ||||
| 418 | E | 23.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 62% | 0.617 | 77% | 0.765 | S | S | * | * | cis | -171 | -180 | 30.3 | -148.6 | -168.4 | 153.5 | 0 | 0 | 114 | ||||
| 419 | K | 24.4 | Very low | 26.7 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | 74.8 | 137.7 | 142.2 | -98.7 | 170.6 | -177.5 | 75.5 | 0 | 120.4 | ||||
| 420 | G | 24.8 | Very low | 26.7 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | 176.6 | -0.1 | 150 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 421 | R | 28.6 | Very low | 26.7 | Very low | 247 Ų | 247 | 148.2 Ų | 148.2 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | 24.9 | 124.5 | 164 | -63.1 | 177.9 | 173.8 | -177.4 | -2.1 | 121 | ||||
| 422 | S | 26.7 | Very low | 27.5 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 169.5 | 117.3 | 122.8 | 38 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 423 | S | 28.1 | Very low | 27.7 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | 89.4 | 135.4 | 65.6 | 75.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 424 | S | 29.1 | Very low | 28 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | cis | -179.3 | 174 | -4.1 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 425 | Q | 31.8 | Very low | 28.3 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 140 | 166.8 | -51.6 | -179.8 | 6 | 0 | 0 | 116 | ||||
| 426 | G | 29.6 | Very low | 28.5 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | cis | 177.6 | 173.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 427 | R | 30.8 | Very low | 28.9 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | cis | -165.6 | 162.4 | -1.3 | 179.9 | -177.4 | 167.2 | -171.4 | -1.5 | 109.4 | E429 | R427-E429 IonicContact CZ-OE1 3.62Å; R427-E429 IonicContact NE-OE1 3Å; R427-E429 PolarHBondContact NE-OE1 3.39Å; R427-E429 IonicContact NH2-OE1 3.29Å; R427-E429 PolarHBondContact NH2-OE1 2.94Å | ||
| 428 | R | 33.6 | Very low | 29.5 | Very low | 207 Ų | 207 | 146.3 Ų | 146.3 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 93.5 | 119.9 | 172.5 | -59.4 | -172.4 | 169.7 | 164.2 | -0.6 | 114.7 | ||||
| 429 | E | 25.8 | Very low | 30.2 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | cis | 103.6 | 129.1 | 31.9 | -73.1 | 153.2 | -150.6 | 0 | 0 | 111.3 | R427 | R427-E429 IonicContact CZ-OE1 3.62Å; R427-E429 IonicContact NE-OE1 3Å; R427-E429 PolarHBondContact NE-OE1 3.39Å; R427-E429 IonicContact NH2-OE1 3.29Å; R427-E429 PolarHBondContact NH2-OE1 2.94Å | ||
| 430 | S | 27.5 | Very low | 30.3 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | 177.5 | 122.3 | -36.4 | 41.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 431 | T | 26.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | 55.5 | 177.3 | 149.4 | 35.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 432 | P | 43.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -115 | -159 | -7.6 | 37.8 | -18.9 | 0 | 0 | 0 | 112.1 | ||||
| 433 | T | 28.3 | Very low | 31 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | cis | -151 | -163 | -1.9 | -16.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 434 | Y | 31.5 | Very low | 31.1 | Very low | 224 Ų | 224 | 142.5 Ų | 142.5 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | cis | -158.8 | -167.5 | -5 | -127.6 | -26.4 | 0 | 0 | 0 | 107.3 | ||||
| 435 | G | 29.2 | Very low | 31 | Very low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 77% | 0.767 | S | S | * | * | cis | 165.3 | 79.6 | -3.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 436 | K | 30.2 | Very low | 30.8 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 71.7 | 136.9 | 155.7 | -94.1 | -173.4 | 177 | -176.1 | 0 | 124.6 | ||||
| 437 | L | 29.9 | Very low | 31.2 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | 85.2 | 152 | 143.8 | -67.6 | 168.2 | 0 | 0 | 0 | 124.4 | ||||
| 438 | R | 34.5 | Very low | 31.1 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -113.4 | 159.4 | 164.8 | -58.9 | -179 | -178.8 | 171.9 | -0.3 | 109 | ||||
| 439 | P | 38.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -150 | 150.3 | 95.1 | 37 | -17.1 | 0 | 0 | 0 | 115.3 | |||||
| 440 | I | 27.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 90.8 | 141.5 | 90 | -60.2 | 173.1 | 0 | 0 | 0 | 116.8 | |||||
| 441 | S | 27.4 | Very low | 32 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 63.4 | 136.9 | 168.5 | 44.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 442 | M | 27.3 | Very low | 32 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | 71.6 | 147.4 | 56.6 | -99.3 | -175.4 | 62.2 | 0 | 0 | 114.4 | V444 | M442-V444 HydrophobicContact CE-CG2 4.08Å; M442-V444 HydrophobicContact CG-CG2 4.34Å | |||
| 443 | P | 40.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -93.4 | -169.1 | 14.3 | 3.1 | 19.7 | 0 | 0 | 0 | 114.2 | ||||
| 444 | V | 29 | Very low | 31.2 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | cis | 102 | 148.3 | 5.3 | -173.3 | 0 | 0 | 0 | 0 | 118.1 | M442 | M442-V444 HydrophobicContact CE-CG2 4.08Å; M442-V444 HydrophobicContact CG-CG2 4.34Å | ||
| 445 | E | 27.7 | Very low | 31.7 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 93.7 | 122.3 | 162.7 | -107.9 | 135.8 | -112.6 | 0 | 0 | 125 | ||||
| 446 | Y | 28.5 | Very low | 31.5 | Very low | 216 Ų | 216 | 146.3 Ų | 146.3 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | 55.2 | 149.2 | 148 | -90.2 | -105.2 | 0 | 0 | 0 | 126.7 | ||||
| 447 | N | 36 | Very low | 31.5 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -77.6 | 156.9 | 171.9 | -59.4 | -46.1 | 0 | 0 | 0 | 112.8 | ||||
| 448 | W | 29.4 | Very low | 31.4 | Very low | 253 Ų | 253 | 147.3 Ų | 147.3 | 96% | 0.958 | 75% | 0.745 | S | S | * | * | trans | -164.9 | 167.7 | 131.3 | -90 | 109.9 | 0 | 0 | 0 | 109.8 | ||||
| 449 | V | 34.9 | Very low | 31 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -141.8 | 139.2 | -176.5 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | F853 | V449-F853 WeakPolarHBondContact O-CE2 3.22Š| ||
| 450 | G | 32.3 | Very low | 30.6 | Very low | 54 Ų | 54 | 149 Ų | 149 | 56% | 0.557 | 74% | 0.741 | S | S | * | * | trans | 163.5 | 96.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 451 | D | 37.9 | Very low | 30.5 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 46% | 0.455 | 74% | 0.74 | S | S | . | * | 32.5 | 136.9 | 105.1 | -105.1 | 19.2 | 0 | 0 | 0 | 121.3 | S851 G852 F853 | D451-S851 WeakPolarHBondContact OD1-CB 3.08Å; D451-G852 CarbonylContact C-O 3.34Å; D451-G852 VanDerWaalsContact CB-O 3.23Å; D451-G852 WeakPolarHBondContact CB-O 3.39Å; D451-G852 WeakPolarHBondContact OD2-CA 3.38Å; D451-G852 PolarHBondContact OD2-N 3.33Å; D451-F853 HydrophobicContact CB-CB 3.9Å; D451-F853 HydrophobicContact CB-CD2 3.51Å; D451-F853 HydrophobicContact CB-CE2 4.45Å; D451-F853 HydrophobicContact CB-CG 4.1Å; D451-F853 WeakPolarHBondContact O-CB 2.93Å | |||
| 452 | Y | 27.1 | Very low | 30.4 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | -158.8 | 145.6 | 153.1 | -127.1 | -61.7 | 0 | 0 | 0 | 113 | G852 F853 N854 | Y452-G852 CarbonylContact C-O 3.56Å; Y452-G852 WeakPolarHBondContact CA-O 3.29Å; Y452-G852 PolarHBondContact N-O 3.42Å; Y452-F853 VanDerWaalsContact CD1-O 3.24Å; Y452-F853 WeakPolarHBondContact CD1-O 3.4Å; Y452-F853 VanDerWaalsContact CE1-O 3.28Å; Y452-F853 WeakPolarHBondContact CE1-O 3.39Å; Y452-N854 HydrophobicContact CD2-CB 4.02Å; Y452-N854 HydrophobicContact CE1-CB 4.32Å; Y452-N854 HydrophobicContact CE2-CB 3.3Å; Y452-N854 VanDerWaalsContact CZ-CB 3.44Å; Y452-N854 WeakPolarHBondContact OH-CB 3.42Å; Y452-N854 PolarHBondContact OH-O 2.95Å | ||
| 453 | E | 28 | Very low | 30.7 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -86 | 165.5 | -179.6 | -59.5 | 174.8 | -166.2 | 0 | 0 | 115.7 | ||||
| 454 | D | 27.4 | Very low | 30.4 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | cis | -158.8 | -93.4 | -30.6 | 163.4 | 36.2 | 0 | 0 | 0 | 113.1 | ||||
| 455 | P | 42.7 | Very low | 30.3 | Very low | 88 Ų | 88 | 154.1 Ų | 154.1 | 57% | 0.571 | 73% | 0.728 | S | S | * | * | trans | -113.8 | 148.8 | -137.1 | 35.2 | -25.4 | 0 | 0 | 0 | 118 | ||||
| 456 | N | 25 | Very low | 30.3 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | 179.2 | 165.4 | 122.3 | -111.3 | -81.1 | 0 | 0 | 0 | 117.8 | |||||
| 457 | K | 30.4 | Very low | 30.4 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | trans | 95.7 | 154.4 | 159.5 | -48.1 | -167.8 | -177 | 162.6 | 0 | 119.3 | ||||
| 458 | M | 26.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 89% | 0.892 | 71% | 0.712 | S | S | * | * | trans | -159.3 | 140.7 | -160.1 | 156.3 | 176.7 | 54.4 | 0 | 0 | 111 | ||||
| 459 | K | 27.4 | Very low | 30.3 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 79% | 0.787 | 70% | 0.702 | S | S | * | * | trans | -175.1 | 126.2 | 160.5 | -111.2 | 163.1 | -173.9 | 175.3 | 0 | 117.6 | ||||
| 460 | R | 29.4 | Very low | 29.9 | Very low | 203 Ų | 203 | 146 Ų | 146 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | 64.3 | 107 | 122.2 | -172.1 | 175.3 | -72.7 | 179.2 | -3.1 | 123.2 | |||||
| 461 | D | 24.7 | Very low | 29.6 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | 54.6 | 133.2 | 129.7 | -68.3 | -76.9 | 0 | 0 | 0 | 126.6 | |||||
| 462 | S | 26.2 | Very low | 29 | Very low | 89 Ų | 89 | 155.4 Ų | 155.4 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | 115.3 | 121 | 119.7 | -96.5 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 463 | R | 33.1 | Very low | 28.9 | Very low | 207 Ų | 207 | 152 Ų | 152 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | 77.9 | 152.3 | 138.1 | -68 | 174.5 | -177.9 | -169.4 | 0 | 118.2 | ||||
| 464 | R | 34.1 | Very low | 28.8 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | cis | -165.3 | 169.1 | 7.9 | -128.7 | 168.4 | 172.6 | -141.3 | 14.1 | 114.7 | ||||
| 465 | E | 27.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | trans | 70.2 | 147.5 | 152.4 | -72.3 | 169.9 | -134.8 | 0 | 0 | 119.2 | ||||
| 466 | N | 26.4 | Very low | 28.1 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | cis | -152.9 | 163.3 | -7.7 | -101.1 | -35.6 | 0 | 0 | 0 | 108.3 | ||||
| 467 | S | 30.6 | Very low | 28.1 | Very low | 90 Ų | 90 | 154 Ų | 154 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | cis | 80.7 | 133.9 | 29 | 108.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 468 | L | 31 | Very low | 27.9 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | cis | -142.1 | 161.6 | 1.3 | -71.6 | 173.7 | 0 | 0 | 0 | 109.3 | ||||
| 469 | L | 32.8 | Very low | 27.7 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | cis | 105.2 | 109 | 16.8 | -158.4 | 174 | 0 | 0 | 0 | 115.2 | ||||
| 470 | R | 27.1 | Very low | 27.5 | Very low | 235 Ų | 235 | 146.2 Ų | 146.2 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | trans | -157 | 147.6 | 170.7 | -78.6 | -150.4 | -173.9 | -157.2 | 3.9 | 112.4 | ||||
| 471 | Y | 25.7 | Very low | 27.1 | Very low | 183 Ų | 183 | 144 Ų | 144 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | cis | -167.2 | 173.3 | -18.4 | -143.5 | -98.9 | 0 | 0 | 0 | 110.9 | ||||
| 472 | M | 26.4 | Very low | 27 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 81.5 | 158.6 | 169.3 | -46.5 | -91.8 | 44.5 | 0 | 0 | 119 | ||||
| 473 | S | 24.8 | Very low | 27 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | -172.7 | 150.7 | -119 | 52.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 474 | N | 25.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | 57 | 151.3 | 150.5 | -84 | 34.3 | 0 | 0 | 0 | 120.8 | ||||
| 475 | E | 26 | Very low | 26.1 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 55% | 0.551 | 71% | 0.71 | S | S | * | * | cis | -133.2 | -178.9 | -0.9 | -69.4 | -148.5 | 132.3 | 0 | 0 | 110.5 | ||||
| 476 | K | 27.8 | Very low | 26 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | cis | 83.1 | 155.6 | 18.8 | 156.8 | -80.9 | 176.1 | 177.5 | 0 | 116.7 | ||||
| 477 | I | 26.7 | Very low | 25.8 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | 90 | 136.2 | -165.5 | -55.1 | 162.1 | 0 | 0 | 0 | 111.7 | ||||
| 478 | A | 25 | Very low | 25.5 | Very low | 82 Ų | 82 | 152 Ų | 152 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | -135.9 | 161.3 | -3.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 479 | Q | 23.7 | Very low | 25.4 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | cis | 99.6 | 109.3 | 32 | -158.6 | -177.9 | -2.3 | 0 | 0 | 114.7 | ||||
| 480 | E | 21.8 | Very low | 25.2 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | 41.4 | 133.7 | 145 | -55.4 | 170.4 | 128.4 | 0 | 0 | 124.9 | ||||
| 481 | E | 22.8 | Very low | 25.2 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | 96.3 | 157.7 | 129.4 | -108.3 | -171 | 171.5 | 0 | 0 | 125.5 | |||||
| 482 | Y | 22.6 | Very low | 25.2 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | trans | 46.1 | 115 | 177.9 | -75.4 | -96 | 0 | 0 | 0 | 119.8 | ||||
| 483 | M | 25.6 | Very low | 25.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 77% | 0.768 | 67% | 0.665 | S | S | * | * | 81.2 | 109.5 | 51.6 | -73 | -83.4 | -164.8 | 0 | 0 | 115.8 | |||||
| 484 | F | 24.5 | Very low | 25.4 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 74% | 0.737 | 67% | 0.67 | S | S | * | * | -178.7 | 154.1 | 103.4 | -112.1 | -69.6 | 0 | 0 | 0 | 114.6 | |||||
| 485 | Q | 24.5 | Very low | 25.4 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | trans | 68.1 | 149.3 | 160.9 | -69.4 | 159.1 | 57.8 | 0 | 0 | 116.7 | ||||
| 486 | R | 25.6 | Very low | 25.3 | Very low | 228 Ų | 228 | 138.1 Ų | 138.1 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | cis | -143.5 | 150.7 | 13.7 | -146.2 | 171.7 | -167.4 | 159.8 | 2.9 | 112.2 | ||||
| 487 | N | 21.8 | Very low | 25.3 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -66.1 | 150.8 | 174.9 | -79.1 | -41.1 | 0 | 0 | 0 | 112.9 | ||||
| 488 | S | 24.5 | Very low | 25.4 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | 167.2 | 161 | 91.2 | 61.6 | 0 | 0 | 0 | 0 | 117.5 | R805 | S488-R805 PolarHBondContact O-NH2 3Š| |||
| 489 | K | 27.1 | Very low | 25.7 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 79% | 0.787 | 69% | 0.691 | S | S | * | * | trans | 27.1 | 124 | 143 | -74 | -171.7 | 172.8 | -177 | 0 | 120.9 | R805 | K489-R805 VanDerWaalsContact C-CZ 3.43Å; K489-R805 VanDerWaalsContact C-NH2 3.31Å; K489-R805 PolarHBondContact O-NH1 3.36Å; K489-R805 VanDerWaalsContact O-NH1 3.07Å; K489-R805 PolarHBondContact O-NH2 3.16Å | ||
| 490 | K | 29.1 | Very low | 25.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 53% | 0.526 | 69% | 0.69 | S | S | . | * | 4.6 | 130.8 | 116.5 | -87.7 | 175.5 | 145.4 | -72.1 | 0 | 117.9 | H804 R805 | K490-H804 PolarHBondContact NZ-O 2.73Å; K490-R805 VanDerWaalsContact CA-NH1 3.26Å; K490-R805 HydrophobicContact CG-CB 3.86Å; K490-R805 HydrophobicContact CG-CG 4.4Å | |||
| 491 | D | 26.6 | Very low | 25.9 | Very low | 25 Ų | 25 | 140.5 Ų | 140.5 | 13% | 0.134 | 69% | 0.692 | C | S | . | * | trans | 172.3 | 154 | 138 | -47 | -27.2 | 0 | 0 | 0 | 112 | E803 H804 | D491-E803 HydrophobicContact CB-CB 4.1Å; D491-E803 HydrophobicContact CB-CG 3.77Å; D491-E803 VanDerWaalsContact CB-OE1 3.25Å; D491-E803 WeakPolarHBondContact CB-OE1 3.41Å; D491-H804 PolarHBondContact O-CE1 3.17Å; D491-H804 PolarHBondContact O-ND1 3.41Å; D491-H804 WeakPolarHBondContact OD1-CA 3.38Å; D491-H804 IonicContact OD1-CE1 2.69Å; D491-H804 IonicContact OD1-CG 2.65Å; D491-H804 PolarHBondContact OD1-N 3.15Å; D491-H804 IonicContact OD1-ND1 2.67Å; D491-H804 PolarHBondContact OD1-ND1 2.86Å; D491-H804 PolarHBondContact OD2-N 2.97Å; D491-H804 VanDerWaalsContact OD2-O 3.07Å | ||
| 492 | T | 26.9 | Very low | 26.2 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 53% | 0.528 | 70% | 0.695 | S | S | . | * | trans | 49.1 | 143.6 | 172.7 | 41.8 | 0 | 0 | 0 | 0 | 122.4 | S801 H804 | T492-S801 WeakPolarHBondContact CG2-OG 3.46Å; T492-H804 PolarHBondContact O-CE1 2.72Å; T492-H804 PolarHBondContact O-ND1 2.96Å | ||
| 493 | G | 26.6 | Very low | 26.3 | Very low | 51 Ų | 51 | 138.7 Ų | 138.7 | 53% | 0.526 | 70% | 0.7 | S | S | . | * | cis | -176.1 | 175.8 | 2.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 494 | K | 27.8 | Very low | 26.3 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -114.5 | 147.6 | -173.1 | -75.6 | 171.3 | 179.9 | 160.7 | 0 | 113.7 | ||||
| 495 | K | 25.6 | Very low | 26.3 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | trans | 70.5 | 137.7 | 152.3 | -75.1 | 171.5 | -179.8 | 177.7 | 0 | 115.6 | ||||
| 496 | S | 25.7 | Very low | 27.1 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | 76.3 | 156.3 | 72.8 | -137 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 497 | K | 26.4 | Very low | 27.2 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | cis | -175.6 | 150.2 | 23.2 | -156.9 | 167.9 | -174.2 | 176.8 | 0 | 112.1 | ||||
| 498 | K | 29.9 | Very low | 27.3 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | 63.3 | 174.4 | 149 | -91.3 | 178.5 | 175.6 | -168.2 | 0 | 116.8 | ||||
| 499 | K | 30.1 | Very low | 27.3 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | cis | -151.2 | 154.4 | 4.7 | -149.7 | 177.9 | 172.9 | -167 | 0 | 112.6 | ||||
| 500 | G | 24.2 | Very low | 27.3 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | trans | 153.9 | 133.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 501 | D | 25.4 | Very low | 27.2 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | cis | -140.7 | -156.3 | -10.6 | -146.4 | -42.2 | 0 | 0 | 0 | 111.6 | ||||
| 502 | K | 29.9 | Very low | 27.3 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | -102.6 | 145.8 | -164.1 | -54.5 | 140.6 | -174.5 | 162.5 | 0 | 116 | ||||
| 503 | S | 25.4 | Very low | 28 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -176.2 | 94 | 134.9 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 504 | N | 24.4 | Very low | 27.8 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | 57.3 | 92.8 | 87.9 | -86.5 | 18.2 | 0 | 0 | 0 | 116.4 | |||||
| 505 | S | 25.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 42.2 | 148.3 | 96.4 | -56.7 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 506 | P | 40.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | cis | -143.1 | -172.8 | 41.2 | 45.6 | -26.2 | 0 | 0 | 0 | 115.1 | ||||
| 507 | T | 27.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | cis | -149.1 | 161.2 | 7.9 | -26.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 508 | H | 24.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | -76.1 | 165.4 | 156.9 | -104.8 | -99.4 | 0 | 0 | 0 | 111.6 | ||||
| 509 | Y | 26.1 | Very low | 27.7 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | -173.6 | 157.2 | 106.9 | -110.1 | -80.9 | 0 | 0 | 0 | 113.3 | |||||
| 510 | S | 26.3 | Very low | 27.7 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | -97.1 | 153.2 | 172.7 | -42.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 511 | L | 26.5 | Very low | 27.8 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -178.7 | 161.4 | 142.7 | -102.3 | 168.8 | 0 | 0 | 0 | 113.1 | ||||
| 512 | L | 29.1 | Very low | 27.9 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -147.8 | 157.7 | 165 | -95.4 | 170.2 | 0 | 0 | 0 | 105.5 | ||||
| 513 | P | 42.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | cis | -137.5 | -166.2 | 10.6 | 38.6 | -17.3 | 0 | 0 | 0 | 115.5 | ||||
| 514 | S | 22.3 | Very low | 27.8 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | 75.3 | 123.4 | 143.3 | 58.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 515 | L | 27.6 | Very low | 28 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 69.4 | 154.3 | 150.5 | -57.3 | 169.9 | 0 | 0 | 0 | 117.4 | ||||
| 516 | Q | 24.6 | Very low | 28 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -145.4 | 166.5 | 10 | -162.8 | 166.4 | -23.1 | 0 | 0 | 113.4 | ||||
| 517 | M | 27.7 | Very low | 27.4 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | trans | -29.5 | 146.7 | 174.9 | -54.9 | -113.7 | -66.4 | 0 | 0 | 120.7 | ||||
| 518 | D | 25.2 | Very low | 27.7 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | 174.6 | 153 | 102.8 | -95.3 | -18.6 | 0 | 0 | 0 | 111.2 | |||||
| 519 | A | 28.3 | Very low | 27.9 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 58% | 0.579 | 76% | 0.762 | S | S | * | * | cis | -162.7 | 146.1 | -14.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 520 | L | 28.5 | Very low | 28.4 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 68.6 | 115.9 | 146.1 | -63.7 | 160.6 | 0 | 0 | 0 | 123.6 | ||||
| 521 | R | 28.2 | Very low | 28.2 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | 78.4 | 148.6 | 129.1 | -67.3 | -174.7 | -176.1 | -132 | 12 | 121.3 | |||||
| 522 | Q | 27 | Very low | 28.1 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 59% | 0.593 | 75% | 0.751 | S | S | * | * | cis | -163.6 | 143.7 | -22.3 | -122.2 | -178.7 | -68 | 0 | 0 | 112.2 | ||||
| 523 | D | 25.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | trans | 54.2 | 146 | 136.9 | -70.7 | -23.8 | 0 | 0 | 0 | 127 | ||||
| 524 | I | 27.5 | Very low | 27.1 | Very low | 165 Ų | 165 | 136 Ų | 136 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | 93.4 | 148 | 144.6 | -76.8 | 157.7 | 0 | 0 | 0 | 121.4 | ||||
| 525 | M | 27.8 | Very low | 27.2 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 94% | 0.936 | 76% | 0.757 | S | S | * | * | trans | -72.8 | 160.3 | -177.2 | -63.3 | 172.7 | 158.5 | 0 | 0 | 114.8 | ||||
| 526 | G | 25.8 | Very low | 27.2 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 178.5 | 125.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 527 | T | 27.2 | Very low | 27.1 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -84.7 | 164.9 | 146.6 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 528 | P | 33.8 | Very low | 26.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -144.3 | -165.1 | 28.3 | 43.6 | -22.1 | 0 | 0 | 0 | 117.1 | ||||
| 529 | V | 27.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -63.1 | 142 | 169.1 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 530 | P | 38.2 | Very low | 26.8 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | -155.5 | 153.7 | 87.2 | 42 | -21.1 | 0 | 0 | 0 | 121.2 | |||||
| 531 | E | 22.3 | Very low | 26.6 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 45.1 | 120.7 | 133.1 | -62.5 | -157.7 | 133.5 | 0 | 0 | 126.1 | ||||
| 532 | T | 23 | Very low | 26.4 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | 82.5 | 151.7 | 124.6 | 65.5 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 533 | T | 24 | Very low | 26.4 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 66.9 | 155.3 | 159.9 | 58.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 534 | L | 27 | Very low | 26.4 | Very low | 141 Ų | 141 | 139 Ų | 139 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | cis | -173.3 | -179.3 | -44.1 | -118 | 173.4 | 0 | 0 | 0 | 107.3 | ||||
| 535 | Y | 24 | Very low | 26.3 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 72.1 | 147.6 | 179 | -56.6 | -78 | 0 | 0 | 0 | 114.9 | ||||
| 536 | H | 27.6 | Very low | 26.1 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | cis | -136 | -178 | 4.7 | -94.5 | -51.5 | 0 | 0 | 0 | 110.5 | ||||
| 537 | T | 22.9 | Very low | 26.1 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 49% | 0.491 | 74% | 0.738 | S | S | . | * | cis | 172 | 144.2 | -45.7 | -79.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 538 | F | 23.4 | Very low | 26 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 68.6 | 155.8 | 175.5 | -63.7 | -35.3 | 0 | 0 | 0 | 116 | ||||
| 539 | Q | 25.2 | Very low | 25.7 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | cis | -160 | 176.9 | -7.6 | -118.3 | 177.2 | 70.4 | 0 | 0 | 108.3 | ||||
| 540 | Q | 26.3 | Very low | 25.6 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | cis | -137.5 | -111.3 | 1.6 | -158.2 | -174.2 | 84.6 | 0 | 0 | 112.7 | ||||
| 541 | S | 24.2 | Very low | 25 | Very low | 78 Ų | 78 | 149.6 Ų | 149.6 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | trans | -167.4 | 149.2 | -162 | 57.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 542 | S | 24.2 | Very low | 25.3 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 179.9 | 125.2 | 132.1 | -78.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 543 | L | 26.8 | Very low | 25.6 | Very low | 142 Ų | 142 | 149 Ų | 149 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | 67.9 | 102.2 | 46.1 | -64.6 | 179.2 | 0 | 0 | 0 | 115.1 | ||||
| 544 | Q | 26 | Very low | 25.9 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | -159.3 | 179.2 | 123.4 | -108.9 | 178 | 60.3 | 0 | 0 | 111.8 | |||||
| 545 | H | 25.1 | Very low | 26.3 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -154.9 | 158 | -141.4 | -131.6 | -68.6 | 0 | 0 | 0 | 113.4 | ||||
| 546 | K | 23.9 | Very low | 26.5 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 79.4 | 159.5 | 163.4 | -58.5 | 163.6 | -178.4 | 171.8 | 0 | 117 | ||||
| 547 | S | 25 | Very low | 27.3 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | cis | -175.8 | 155 | -29.6 | -88.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 548 | K | 25.4 | Very low | 27.9 | Very low | 206 Ų | 206 | 147 Ų | 147 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | 71.6 | 163.9 | 164.6 | -60.5 | 163.6 | -177.9 | 175.5 | 0 | 117.2 | ||||
| 549 | K | 27.1 | Very low | 28.4 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | cis | -176.9 | 153.7 | -41.8 | -166.4 | 170.5 | -177.4 | 175.4 | 0 | 108.2 | ||||
| 550 | K | 26.9 | Very low | 29.7 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | 77.2 | 142.5 | 173.9 | -72.8 | -176.5 | 178.1 | -178.2 | 0 | 115.3 | ||||
| 551 | N | 24.7 | Very low | 30.8 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | -160.7 | 161.3 | -18.8 | -142.7 | 6.4 | 0 | 0 | 0 | 113.2 | ||||
| 552 | K | 28 | Very low | 32.4 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 61.2 | 98.6 | 161.6 | -66.2 | -172.1 | 175.4 | -173.6 | 0 | 119.3 | ||||
| 553 | G | 30.1 | Very low | 34.7 | Very low | 61 Ų | 61 | 148.7 Ų | 148.7 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -149.2 | 147.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 554 | P | 30.4 | Very low | 36.7 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 92% | 0.922 | 73% | 0.726 | S | S | * | * | trans | -76.7 | 132.3 | -169.3 | 29 | -34 | 0 | 0 | 0 | 113.5 | ||||
| 555 | I | 34.2 | Very low | 38.9 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -108.1 | 128.1 | 174.4 | -59.9 | 170.4 | 0 | 0 | 0 | 109.2 | ||||
| 556 | A | 29.4 | Very low | 41.1 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -170.5 | 76.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K558 | A556-K558 PolarHBondContact O-N 3.49Š| ||
| 557 | G | 44.4 | Very low | 43.5 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | trans | -72.9 | 89.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 558 | K | 34.6 | Very low | 45.6 | Very low | 188 Ų | 188 | 125.7 Ų | 125.7 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | trans | -80.5 | 148.2 | 175.8 | -74.2 | -174.7 | 177.9 | -179.8 | 0 | 111.9 | A556 K560 | A556-K558 PolarHBondContact O-N 3.49Å; K558-K560 PolarHBondContact O-N 3.31Å | ||
| 559 | S | 35.6 | Very low | 47.6 | Very low | 95 Ų | 95 | 117.9 Ų | 117.9 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | trans | -71.2 | 115 | -172.2 | -176.1 | 0 | 0 | 0 | 0 | 113 | R561 | S559-R561 PolarHBondContact O-N 2.93Š| ||
| 560 | K | 52.2 | Low | 49.3 | Very low | 178 Ų | 178 | 119.2 Ų | 119.2 | 77% | 0.774 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 26.7 | -178.5 | -60 | -171 | 175.8 | -171.8 | 0 | 115.8 | K558 | K558-K560 PolarHBondContact O-N 3.31Š|
| 561 | R | 49.7 | Very low | 51.4 | Low | 218 Ų | 218 | 111.2 Ų | 111.2 | 82% | 0.823 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -6.5 | -171 | -64.9 | -171.6 | -177.4 | 173 | 3.1 | 116 | S559 | S559-R561 PolarHBondContact O-N 2.93Š|
| 562 | R | 55.8 | Low | 53.9 | Low | 166 Ų | 166 | 107.5 Ų | 107.5 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | trans | -143.9 | 119.1 | 165.7 | -67.9 | -176.7 | 66.5 | 178.4 | -1.7 | 107.2 | E612 K613 | R562-E612 IonicContact NH2-OE2 3.22Å; R562-E612 PolarHBondContact NH2-OE2 3.5Å; R562-K613 HydrophobicContact CG-CG 4.49Å | ||
| 563 | I | 73.2 | Confident | 56.6 | Low | 47 Ų | 47 | 98.4 Ų | 98.4 | 24% | 0.241 | 53% | 0.533 | C | S | . | . | trans | -133.2 | 121.1 | 172.1 | -52 | 174.9 | 0 | 0 | 0 | 105.2 | D567 L568 Y604 A614 | I563-D567 HydrophobicContact CG2-CB 4.09Å; I563-L568 HydrophobicContact CG2-CD1 3.91Å; I563-Y604 HydrophobicContact CD1-CE1 3.96Å; I563-A614 PolarHBondContact O-N 3.23Å | ||
| 564 | S | 68.4 | Low | 59.4 | Low | 12 Ų | 12 | 98.7 Ų | 98.7 | 8% | 0.084 | 52% | 0.517 | C | S | . | . | trans | -69.8 | 151.8 | 173 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | K566 D567 L568 E612 | S564-K566 PolarHBondContact O-N 2.8Å; S564-K566 PolarHBondContact OG-N 2.97Å; S564-D567 WeakPolarHBondContact CB-OD2 3.27Å; S564-D567 PolarHBondContact N-OD2 3.08Å; S564-D567 VanDerWaalsContact N-OD2 3.1Å; S564-D567 PolarHBondContact O-N 3.18Å; S564-D567 VanDerWaalsContact O-N 3.15Å; S564-L568 PolarHBondContact O-N 3.21Å; S564-E612 WeakPolarHBondContact CA-O 3.49Å | ||
| 565 | C | 73.7 | Confident | 62.2 | Low | 16 Ų | 16 | 92.5 Ų | 92.5 | 11% | 0.108 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -57.2 | -36.4 | 168.4 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | L568 Y606 E609 D611 | C565-L568 WeakPolarHBondContact O-CB 3.42Å; C565-L568 PolarHBondContact O-N 2.78Å; C565-Y606 HydrophobicContact CB-CD1 3.95Å; C565-Y606 HydrophobicContact CB-CD2 4.34Å; C565-Y606 HydrophobicContact CB-CE1 3.77Å; C565-Y606 HydrophobicContact CB-CE2 4.2Å; C565-Y606 HydrophobicContact CB-CG 4.24Å; C565-Y606 VanDerWaalsContact N-CE1 3.31Å; C565-E609 WeakPolarHBondContact CB-O 3.47Å; C565-E609 PolarHBondContact SG-O 3.25Å; C565-D611 PolarHBondContact N-O 3.13Å; C565-D611 VanDerWaalsContact N-O 3.11Å |
| 566 | K | 70.3 | Confident | 65 | Low | 136 Ų | 136 | 89.1 Ų | 89.1 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.6 | -27.7 | 177.3 | -60.9 | 178.2 | 180 | 176.7 | 0 | 113.5 | S564 L568 E610 | S564-K566 PolarHBondContact O-N 2.8Å; S564-K566 PolarHBondContact OG-N 2.97Å; K566-L568 VanDerWaalsContact C-N 3.33Å; K566-E610 WeakPolarHBondContact CE-OE1 3.41Å; K566-E610 IonicContact NZ-OE1 3.68Å; K566-E610 PolarHBondContact NZ-OE1 2.83Å |
| 567 | D | 73.4 | Confident | 68 | Low | 124 Ų | 124 | 85.3 Ų | 85.3 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -74.2 | -24.7 | 173.1 | -68.7 | -37.9 | 0 | 0 | 0 | 112.6 | I563 S564 G569 | I563-D567 HydrophobicContact CG2-CB 4.09Å; S564-D567 WeakPolarHBondContact CB-OD2 3.27Å; S564-D567 PolarHBondContact N-OD2 3.08Å; S564-D567 VanDerWaalsContact N-OD2 3.1Å; S564-D567 PolarHBondContact O-N 3.18Å; S564-D567 VanDerWaalsContact O-N 3.15Å; D567-G569 VanDerWaalsContact C-N 3.32Å |
| 568 | L | 69.1 | Low | 70.2 | Confident | 10 Ų | 10 | 84.3 Ų | 84.3 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73.6 | -27.5 | -176.8 | -155.4 | 70.7 | 0 | 0 | 0 | 111.5 | I563 S564 C565 K566 V597 K599 Y604 | I563-L568 HydrophobicContact CG2-CD1 3.91Å; S564-L568 PolarHBondContact O-N 3.21Å; C565-L568 WeakPolarHBondContact O-CB 3.42Å; C565-L568 PolarHBondContact O-N 2.78Å; K566-L568 VanDerWaalsContact C-N 3.33Å; L568-V597 HydrophobicContact CD2-CB 3.76Å; L568-V597 HydrophobicContact CD2-CG1 3.63Å; L568-K599 HydrophobicContact CD1-CD 4.3Å; L568-K599 HydrophobicContact CG-CB 4.45Å; L568-K599 HydrophobicContact CG-CD 4.02Å; L568-K599 VanDerWaalsContact O-CD 3.29Å; L568-K599 WeakPolarHBondContact O-CD 3.31Å; L568-K599 PolarHBondContact O-NZ 3.35Å; L568-Y604 HydrophobicContact CD1-CD2 4.04Å; L568-Y604 HydrophobicContact CD1-CE2 3.87Å; L568-Y604 HydrophobicContact CD1-CG 4.47Å; L568-Y604 HydrophobicContact CD2-CD2 3.66Å; L568-Y604 HydrophobicContact CD2-CE2 4.28Å; L568-Y604 HydrophobicContact CD2-CG 4.02Å |
| 569 | G | 67.8 | Low | 73 | Confident | 41 Ų | 41 | 76.5 Ų | 76.5 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | trans | 74.5 | -171 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D567 G571 | D567-G569 VanDerWaalsContact C-N 3.32Å; G569-G571 PolarHBondContact O-N 3.39Å | ||
| 570 | R | 63.1 | Low | 75.5 | Confident | 218 Ų | 218 | 74.1 Ų | 74.1 | 82% | 0.823 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -57.6 | 130 | 172.8 | -71.6 | -171.7 | -180 | -80.8 | 5.7 | 110.1 | ||
| 571 | G | 70.6 | Confident | 76.9 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 33% | 0.33 | C | S | . | . | trans | -80.1 | 160 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G569 C573 E574 L598 | G569-G571 PolarHBondContact O-N 3.39Å; G571-C573 PolarHBondContact O-N 3.01Å; G571-E574 PolarHBondContact N-OE2 3.26Å; G571-L598 CarbonylContact C-O 3.53Å; G571-L598 VanDerWaalsContact CA-O 3.3Å; G571-L598 WeakPolarHBondContact CA-O 3.34Å | ||
| 572 | D | 77.7 | Confident | 77.7 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -64.7 | -27.4 | 167.5 | -64 | -60.2 | 0 | 0 | 0 | 111.8 | L598 K599 D600 R663 L667 | D572-L598 PolarHBondContact N-O 2.77Å; D572-K599 WeakPolarHBondContact OD2-CA 3.39Å; D572-D600 PolarHBondContact OD2-N 3.05Å; D572-R663 WeakPolarHBondContact O-CD 3.42Å; D572-R663 PolarHBondContact O-NH1 2.83Å; D572-L667 HydrophobicContact CB-CD1 3.64Å |
| 573 | C | 85.1 | Confident | 77.5 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 133.7 | 165.9 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | G571 L598 W660 R663 | G571-C573 PolarHBondContact O-N 3.01Å; C573-L598 HydrophobicContact CB-CB 4.22Å; C573-L598 HydrophobicContact CB-CD2 4.06Å; C573-L598 WeakPolarHBondContact O-CB 3.37Å; C573-L598 PolarHBondContact O-N 3.36Å; C573-W660 HydrophobicContact CB-CE3 4.38Å; C573-W660 HydrophobicContact CB-CH2 4.49Å; C573-W660 HydrophobicContact CB-CZ3 4.22Å; C573-W660 WeakPolarHBondContact O-CH2 3.49Å; C573-R663 HydrophobicContact CB-CB 3.94Å; C573-R663 HydrophobicContact CB-CG 4.03Å |
| 574 | E | 89.1 | Confident | 76.5 | Confident | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.4 | 179.3 | 62.5 | -155.8 | -171.5 | 0 | 0 | 110.2 | G571 W595 F596 V597 | G571-E574 PolarHBondContact N-OE2 3.26Å; E574-W595 HydrophobicContact CB-CZ2 3.95Å; E574-W595 HydrophobicContact CG-CZ2 4.08Å; E574-F596 VanDerWaalsContact CA-O 3.31Å; E574-F596 WeakPolarHBondContact CA-O 3.36Å; E574-V597 HydrophobicContact CB-CG1 4.26Å; E574-V597 HydrophobicContact CB-CG2 4.26Å |
| 575 | G | 89.8 | Confident | 75 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 12% | 0.124 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.4 | 168.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W595 F596 | G575-W595 VanDerWaalsContact C-CE3 3.47Å; G575-W595 VanDerWaalsContact CA-CZ3 3.41Å; G575-F596 PolarHBondContact N-O 3.3Å; G575-F596 PolarHBondContact O-N 2.95Å |
| 576 | W | 92.1 | Very high | 73.7 | Confident | 97 Ų | 97 | 80.1 Ų | 80.1 | 37% | 0.367 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 132.5 | 175.5 | -68.2 | 99.2 | 0 | 0 | 0 | 112.1 | K593 W595 | W576-K593 HydrophobicContact CB-CD 4.44Å; W576-K593 HydrophobicContact CB-CG 4.32Å; W576-K593 HydrophobicContact CD2-CG 4.42Å; W576-K593 HydrophobicContact CE3-CD 4.31Å; W576-K593 HydrophobicContact CE3-CG 3.79Å; W576-W595 AromaticContact CD1-CE3 3.64Å; W576-W595 AromaticContact CD1-CZ3 3.61Å; W576-W595 AromaticContact CD2-CE3 3.84Å; W576-W595 HydrophobicContact CD2-CE3 3.84Å; W576-W595 AromaticContact CE2-CE3 3.72Å; W576-W595 HydrophobicContact CE3-CB 4.2Å; W576-W595 AromaticContact CG-CE3 3.81Å; W576-W595 HydrophobicContact CG-CE3 3.81Å; W576-W595 HydrophobicContact CG-CZ3 4.17Å; W576-W595 HydrophobicContact CH2-CB 4.26Å; W576-W595 HydrophobicContact CZ2-CE3 4.38Å; W576-W595 HydrophobicContact CZ3-CB 4.07Å; W576-W595 AromaticContact NE1-CE3 3.55Å; W576-W595 AromaticContact NE1-CZ3 3.68Å |
| 577 | L | 92.1 | Very high | 72.5 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 154.9 | 168 | -66 | 173.9 | 0 | 0 | 0 | 111.6 | K593 Y594 F596 F637 A651 W660 | L577-K593 WeakPolarHBondContact O-CA 3.45Å; L577-Y594 PolarHBondContact N-O 3.44Å; L577-Y594 PolarHBondContact O-N 2.9Å; L577-F596 HydrophobicContact CB-CD2 3.57Å; L577-F596 HydrophobicContact CB-CE2 3.71Å; L577-F596 HydrophobicContact CB-CG 4.28Å; L577-F596 HydrophobicContact CD1-CB 4.39Å; L577-F596 HydrophobicContact CD1-CD2 4.28Å; L577-F596 HydrophobicContact CD1-CG 4.18Å; L577-F596 HydrophobicContact CG-CD2 4.26Å; L577-F637 HydrophobicContact CD1-CE1 4.07Å; L577-F637 HydrophobicContact CD1-CZ 3.77Å; L577-F637 HydrophobicContact CD2-CE1 4.3Å; L577-A651 HydrophobicContact CD2-CB 3.86Å; L577-W660 HydrophobicContact CD1-CD2 3.78Å; L577-W660 HydrophobicContact CD1-CE3 4.22Å; L577-W660 HydrophobicContact CD1-CG 4.09Å; L577-W660 HydrophobicContact CD1-CZ2 4.12Å; L577-W660 HydrophobicContact CD2-CG 4.37Å; L577-W660 HydrophobicContact CG-CD2 4.46Å; L577-W660 HydrophobicContact CG-CZ2 4.31Å |
| 578 | W | 91.9 | Very high | 71.2 | Confident | 65 Ų | 65 | 80 Ų | 80 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.9 | 171.4 | -65.1 | 84.9 | 0 | 0 | 0 | 110 | W591 K593 K633 F649 A650 E652 | W578-W591 HydrophobicContact CB-CE3 3.96Å; W578-W591 HydrophobicContact CE3-CB 4.11Å; W578-W591 WeakPolarHBondContact O-CZ3 3.39Å; W578-K593 HydrophobicContact CD2-CB 4Å; W578-K593 HydrophobicContact CD2-CG 4.36Å; W578-K593 HydrophobicContact CE3-CB 3.97Å; W578-K593 HydrophobicContact CH2-CB 4.07Å; W578-K593 HydrophobicContact CH2-CD 4.5Å; W578-K593 HydrophobicContact CZ2-CB 4.09Å; W578-K593 HydrophobicContact CZ2-CD 3.86Å; W578-K593 HydrophobicContact CZ2-CG 4.3Å; W578-K593 HydrophobicContact CZ3-CB 4.01Å; W578-K633 VanDerWaalsContact CE2-NZ 3.28Å; W578-F649 CarbonylContact O-C 3.6Å; W578-F649 VanDerWaalsContact O-CA 3.28Å; W578-F649 WeakPolarHBondContact O-CA 3.27Å; W578-A650 HydrophobicContact CB-CB 4.35Å; W578-A650 WeakPolarHBondContact CB-O 3.35Å; W578-A650 PolarHBondContact N-O 3.31Å; W578-A650 PolarHBondContact O-N 2.9Å; W578-E652 PolarHBondContact NE1-OE1 2.86Å |
| 579 | K | 91.4 | Very high | 70.9 | Confident | 24 Ų | 24 | 85.3 Ų | 85.3 | 10% | 0.104 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133 | 172.1 | -166.7 | 177.6 | 177.3 | -179.7 | 0 | 110.3 | K581 W591 K592 Y594 F596 W605 F649 | K579-K581 PolarHBondContact O-N 3.21Å; K579-W591 WeakPolarHBondContact O-CA 3.36Å; K579-K592 PolarHBondContact N-O 3.28Å; K579-K592 PolarHBondContact O-N 2.9Å; K579-Y594 HydrophobicContact CB-CD2 3.8Å; K579-Y594 HydrophobicContact CB-CE2 4.04Å; K579-Y594 HydrophobicContact CD-CE2 4.41Å; K579-F596 HydrophobicContact CB-CE2 4.42Å; K579-F596 HydrophobicContact CB-CZ 4.08Å; K579-F596 HydrophobicContact CD-CZ 4.26Å; K579-F596 HydrophobicContact CG-CZ 4.41Å; K579-W605 HydrophobicContact CD-CD2 4.46Å; K579-W605 VanDerWaalsContact NZ-CH2 3.29Å; K579-F649 HydrophobicContact CB-CD1 4.49Å; K579-F649 HydrophobicContact CD-CE1 4.31Å; K579-F649 HydrophobicContact CG-CD1 4.19Å; K579-F649 HydrophobicContact CG-CE1 4.06Å |
| 580 | K | 88.8 | Confident | 71.4 | Confident | 46 Ų | 46 | 90.8 Ų | 90.8 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.9 | 169.9 | -163 | 174.4 | -174.3 | 172.9 | 0 | 108.6 | W591 Y648 | K580-W591 HydrophobicContact CB-CD2 4.12Å; K580-W591 HydrophobicContact CB-CE3 3.92Å; K580-W591 HydrophobicContact CB-CH2 3.99Å; K580-W591 HydrophobicContact CB-CZ2 4.17Å; K580-W591 HydrophobicContact CB-CZ3 3.85Å; K580-W591 HydrophobicContact CD-CH2 4.36Å; K580-W591 HydrophobicContact CD-CZ2 4.02Å; K580-W591 HydrophobicContact CG-CD2 4.36Å; K580-W591 HydrophobicContact CG-CH2 4.45Å; K580-W591 HydrophobicContact CG-CZ2 4.15Å; K580-W591 VanDerWaalsContact N-CE3 3.34Å; K580-Y648 HydrophobicContact CD-CD2 4.25Å; K580-Y648 HydrophobicContact CD-CG 4.06Å; K580-Y648 PolarHBondContact N-O 3.12Å |
| 581 | K | 82.1 | Confident | 72.5 | Confident | 144 Ų | 144 | 83.2 Ų | 83.2 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 142 | 176 | -170.3 | 173.6 | -178.8 | 175.6 | 0 | 110.1 | K579 A583 K590 | K579-K581 PolarHBondContact O-N 3.21Å; K581-A583 PolarHBondContact O-N 2.83Å; K581-A583 VanDerWaalsContact O-N 3.12Å; K581-K590 WeakPolarHBondContact CB-O 3.41Å; K581-K590 PolarHBondContact N-O 2.88Å |
| 582 | D | 65.3 | Low | 73.4 | Confident | 89 Ų | 89 | 86.1 Ų | 86.1 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | trans | -57.7 | 112.1 | 169.9 | -97.3 | 12.6 | 0 | 0 | 0 | 111.6 | K584 K645 | D582-K584 PolarHBondContact O-N 3.3Å; D582-K645 WeakPolarHBondContact OD1-CE 3.49Å; D582-K645 IonicContact OD1-NZ 3.52Å; D582-K645 PolarHBondContact OD1-NZ 2.82Å; D582-K645 WeakPolarHBondContact OD2-CE 2.96Å; D582-K645 IonicContact OD2-NZ 3.89Å; D582-K645 PolarHBondContact OD2-NZ 2.95Å | ||
| 583 | A | 53.4 | Low | 74.1 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | trans | -70.9 | 106.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K581 | K581-A583 PolarHBondContact O-N 2.83Å; K581-A583 VanDerWaalsContact O-N 3.12Å | ||
| 584 | K | 50.6 | Low | 74.4 | Confident | 218 Ų | 218 | 87.2 Ų | 87.2 | 95% | 0.948 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -79.5 | -3.2 | 165 | -69.1 | -168.2 | 175.4 | -171.5 | 0 | 113.1 | D582 | D582-K584 PolarHBondContact O-N 3.3Š|
| 585 | S | 37.4 | Very low | 74.5 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -149.6 | 135.3 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 108.7 | F587 S588 | S585-F587 PolarHBondContact O-N 3.49Å; S585-F587 VanDerWaalsContact O-N 3.07Å; S585-S588 PolarHBondContact O-N 2.89Å; S585-S588 PolarHBondContact O-OG 3.21Å |
| 586 | Y | 47.7 | Very low | 74.6 | Confident | 191 Ų | 191 | 84.9 Ų | 84.9 | 75% | 0.749 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30.2 | -168.7 | -71.8 | -83 | 0 | 0 | 0 | 114.5 | S588 | Y586-S588 PolarHBondContact O-N 2.84Š|
| 587 | F | 43.3 | Very low | 74.5 | Confident | 211 Ų | 211 | 80.3 Ų | 80.3 | 93% | 0.925 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 9.1 | -175.4 | -88.3 | -87.9 | 0 | 0 | 0 | 116.1 | S585 | S585-F587 PolarHBondContact O-N 3.49Å; S585-F587 VanDerWaalsContact O-N 3.07Å |
| 588 | S | 46.5 | Very low | 74.3 | Confident | 47 Ų | 47 | 80.3 Ų | 80.3 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | trans | -130.6 | 61.2 | -173.4 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | S585 Y586 K590 | S585-S588 PolarHBondContact O-N 2.89Å; S585-S588 PolarHBondContact O-OG 3.21Å; Y586-S588 PolarHBondContact O-N 2.84Å; S588-K590 PolarHBondContact O-N 3.08Å | ||
| 589 | Q | 62.8 | Low | 74 | Confident | 120 Ų | 120 | 80.2 Ų | 80.2 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | trans | -71.8 | 59.5 | 169.2 | -59.9 | -167.3 | 30.9 | 0 | 0 | 112.5 | W591 | Q589-W591 PolarHBondContact O-N 3.2Š| ||
| 590 | K | 77.6 | Confident | 73.5 | Confident | 157 Ų | 157 | 84.2 Ų | 84.2 | 68% | 0.683 | 40% | 0.396 | S | S | * | . | trans | -76.4 | 122.9 | 179.1 | -67.3 | -170.6 | 176.4 | -174.6 | 0 | 110.6 | K581 S588 | K581-K590 WeakPolarHBondContact CB-O 3.41Å; K581-K590 PolarHBondContact N-O 2.88Å; S588-K590 PolarHBondContact O-N 3.08Å | ||
| 591 | W | 87.3 | Confident | 73.2 | Confident | 59 Ų | 59 | 82.2 Ų | 82.2 | 22% | 0.223 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 144.9 | 168.4 | -64.3 | 80.3 | 0 | 0 | 0 | 109.7 | W578 K579 K580 Q589 C631 K633 A650 | W578-W591 HydrophobicContact CB-CE3 3.96Å; W578-W591 HydrophobicContact CE3-CB 4.11Å; W578-W591 WeakPolarHBondContact O-CZ3 3.39Å; K579-W591 WeakPolarHBondContact O-CA 3.36Å; K580-W591 HydrophobicContact CB-CD2 4.12Å; K580-W591 HydrophobicContact CB-CE3 3.92Å; K580-W591 HydrophobicContact CB-CH2 3.99Å; K580-W591 HydrophobicContact CB-CZ2 4.17Å; K580-W591 HydrophobicContact CB-CZ3 3.85Å; K580-W591 HydrophobicContact CD-CH2 4.36Å; K580-W591 HydrophobicContact CD-CZ2 4.02Å; K580-W591 HydrophobicContact CG-CD2 4.36Å; K580-W591 HydrophobicContact CG-CH2 4.45Å; K580-W591 HydrophobicContact CG-CZ2 4.15Å; K580-W591 VanDerWaalsContact N-CE3 3.34Å; Q589-W591 PolarHBondContact O-N 3.2Å; W591-C631 HydrophobicContact CZ2-CB 4.35Å; W591-K633 HydrophobicContact CD2-CD 4.42Å; W591-K633 HydrophobicContact CZ2-CB 4.21Å; W591-A650 HydrophobicContact CE3-CB 4.38Å; W591-A650 HydrophobicContact CH2-CB 4.11Å; W591-A650 HydrophobicContact CZ3-CB 3.78Å |
| 592 | K | 89 | Confident | 73.5 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.2 | 170.5 | 171.1 | 172.5 | 166.3 | -166.2 | 0 | 109.7 | K579 Y594 | K579-K592 PolarHBondContact N-O 3.28Å; K579-K592 PolarHBondContact O-N 2.9Å; K592-Y594 HydrophobicContact CB-CD2 4.37Å; K592-Y594 HydrophobicContact CB-CE2 3.83Å; K592-Y594 HydrophobicContact CD-CE1 4.04Å; K592-Y594 HydrophobicContact CD-CE2 3.84Å; K592-Y594 HydrophobicContact CG-CD2 4.05Å; K592-Y594 HydrophobicContact CG-CE2 3.66Å; K592-Y594 WeakPolarHBondContact O-CD2 3.5Å |
| 593 | K | 92.1 | Very high | 74.6 | Confident | 64 Ų | 64 | 72 Ų | 72 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.2 | 172 | -160.6 | 171.6 | -179.8 | 164.4 | 0 | 109.2 | W576 L577 W578 E652 | W576-K593 HydrophobicContact CB-CD 4.44Å; W576-K593 HydrophobicContact CB-CG 4.32Å; W576-K593 HydrophobicContact CD2-CG 4.42Å; W576-K593 HydrophobicContact CE3-CD 4.31Å; W576-K593 HydrophobicContact CE3-CG 3.79Å; L577-K593 WeakPolarHBondContact O-CA 3.45Å; W578-K593 HydrophobicContact CD2-CB 4Å; W578-K593 HydrophobicContact CD2-CG 4.36Å; W578-K593 HydrophobicContact CE3-CB 3.97Å; W578-K593 HydrophobicContact CH2-CB 4.07Å; W578-K593 HydrophobicContact CH2-CD 4.5Å; W578-K593 HydrophobicContact CZ2-CB 4.09Å; W578-K593 HydrophobicContact CZ2-CD 3.86Å; W578-K593 HydrophobicContact CZ2-CG 4.3Å; W578-K593 HydrophobicContact CZ3-CB 4.01Å; K593-E652 WeakPolarHBondContact CE-OE1 3.44Å; K593-E652 IonicContact NZ-OE1 3.09Å; K593-E652 PolarHBondContact NZ-OE1 3.2Å; K593-E652 IonicContact NZ-OE2 2.8Å; K593-E652 PolarHBondContact NZ-OE2 2.92Å |
| 594 | Y | 92 | Very high | 76.3 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.1 | 176.1 | -70.1 | -87.7 | 0 | 0 | 0 | 108.4 | L577 K579 K592 F596 Y606 I607 E615 | L577-Y594 PolarHBondContact N-O 3.44Å; L577-Y594 PolarHBondContact O-N 2.9Å; K579-Y594 HydrophobicContact CB-CD2 3.8Å; K579-Y594 HydrophobicContact CB-CE2 4.04Å; K579-Y594 HydrophobicContact CD-CE2 4.41Å; K592-Y594 HydrophobicContact CB-CD2 4.37Å; K592-Y594 HydrophobicContact CB-CE2 3.83Å; K592-Y594 HydrophobicContact CD-CE1 4.04Å; K592-Y594 HydrophobicContact CD-CE2 3.84Å; K592-Y594 HydrophobicContact CG-CD2 4.05Å; K592-Y594 HydrophobicContact CG-CE2 3.66Å; K592-Y594 WeakPolarHBondContact O-CD2 3.5Å; Y594-F596 WeakPolarHBondContact O-CD2 3.26Å; Y594-Y606 CarbonylContact C-O 3.53Å; Y594-Y606 WeakPolarHBondContact CA-O 3.49Å; Y594-Y606 WeakPolarHBondContact CB-O 3.32Å; Y594-Y606 WeakPolarHBondContact CD1-O 3.23Å; Y594-I607 HydrophobicContact CD1-CG1 4.35Å; Y594-I607 HydrophobicContact CE1-CG1 4.1Å; Y594-E615 HydrophobicContact CE1-CB 4.33Å; Y594-E615 HydrophobicContact CE1-CG 4.26Å |
| 595 | W | 91 | Very high | 78.3 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126 | 168.6 | -178 | -110 | 0 | 0 | 0 | 108.3 | E574 G575 W576 W605 Y606 E609 | E574-W595 HydrophobicContact CB-CZ2 3.95Å; E574-W595 HydrophobicContact CG-CZ2 4.08Å; G575-W595 VanDerWaalsContact C-CE3 3.47Å; G575-W595 VanDerWaalsContact CA-CZ3 3.41Å; W576-W595 AromaticContact CD1-CE3 3.64Å; W576-W595 AromaticContact CD1-CZ3 3.61Å; W576-W595 AromaticContact CD2-CE3 3.84Å; W576-W595 HydrophobicContact CD2-CE3 3.84Å; W576-W595 AromaticContact CE2-CE3 3.72Å; W576-W595 HydrophobicContact CE3-CB 4.2Å; W576-W595 AromaticContact CG-CE3 3.81Å; W576-W595 HydrophobicContact CG-CE3 3.81Å; W576-W595 HydrophobicContact CG-CZ3 4.17Å; W576-W595 HydrophobicContact CH2-CB 4.26Å; W576-W595 HydrophobicContact CZ2-CE3 4.38Å; W576-W595 HydrophobicContact CZ3-CB 4.07Å; W576-W595 AromaticContact NE1-CE3 3.55Å; W576-W595 AromaticContact NE1-CZ3 3.68Å; W595-W605 CarbonylContact O-C 3.59Å; W595-W605 VanDerWaalsContact O-CA 3.24Å; W595-W605 WeakPolarHBondContact O-CA 3.34Å; W595-Y606 PolarHBondContact N-O 3.08Å; W595-Y606 PolarHBondContact O-N 3.08Å; W595-E609 HydrophobicContact CD2-CB 4.41Å; W595-E609 HydrophobicContact CD2-CG 4.39Å; W595-E609 HydrophobicContact CG-CB 4.33Å; W595-E609 HydrophobicContact CZ2-CG 4.31Å |
| 596 | F | 91.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.4 | 179.9 | -81.4 | -101.8 | 0 | 0 | 0 | 110.6 | E574 G575 L577 K579 Y594 L603 Y604 W605 F649 W660 | E574-F596 VanDerWaalsContact CA-O 3.31Å; E574-F596 WeakPolarHBondContact CA-O 3.36Å; G575-F596 PolarHBondContact N-O 3.3Å; G575-F596 PolarHBondContact O-N 2.95Å; L577-F596 HydrophobicContact CB-CD2 3.57Å; L577-F596 HydrophobicContact CB-CE2 3.71Å; L577-F596 HydrophobicContact CB-CG 4.28Å; L577-F596 HydrophobicContact CD1-CB 4.39Å; L577-F596 HydrophobicContact CD1-CD2 4.28Å; L577-F596 HydrophobicContact CD1-CG 4.18Å; L577-F596 HydrophobicContact CG-CD2 4.26Å; K579-F596 HydrophobicContact CB-CE2 4.42Å; K579-F596 HydrophobicContact CB-CZ 4.08Å; K579-F596 HydrophobicContact CD-CZ 4.26Å; K579-F596 HydrophobicContact CG-CZ 4.41Å; Y594-F596 WeakPolarHBondContact O-CD2 3.26Å; F596-L603 HydrophobicContact CB-CD1 4.25Å; F596-L603 HydrophobicContact CD1-CD1 3.78Å; F596-L603 HydrophobicContact CD1-CD2 3.95Å; F596-L603 HydrophobicContact CD1-CG 3.78Å; F596-L603 HydrophobicContact CE1-CD2 4.12Å; F596-L603 HydrophobicContact CE1-CG 4.3Å; F596-Y604 WeakPolarHBondContact CA-O 3.39Å; F596-W605 HydrophobicContact CD1-CB 3.69Å; F596-W605 HydrophobicContact CD2-CB 4.09Å; F596-W605 HydrophobicContact CE1-CB 3.6Å; F596-W605 HydrophobicContact CE1-CD2 4.18Å; F596-W605 AromaticContact CE1-CE3 3.88Å; F596-W605 HydrophobicContact CE1-CE3 3.88Å; F596-W605 HydrophobicContact CE1-CG 4.07Å; F596-W605 HydrophobicContact CE2-CB 4.02Å; F596-W605 HydrophobicContact CG-CB 3.96Å; F596-W605 HydrophobicContact CZ-CB 3.78Å; F596-W605 HydrophobicContact CZ-CG 4.15Å; F596-F649 AromaticContact CE1-CD1 3.83Å; F596-F649 HydrophobicContact CE1-CD1 3.83Å; F596-F649 AromaticContact CE1-CE1 3.5Å; F596-F649 HydrophobicContact CE1-CE1 3.5Å; F596-F649 HydrophobicContact CE1-CZ 4.4Å; F596-F649 AromaticContact CZ-CD1 3.61Å; F596-F649 HydrophobicContact CZ-CD1 3.61Å; F596-F649 AromaticContact CZ-CE1 3.6Å; F596-F649 HydrophobicContact CZ-CE1 3.6Å; F596-W660 HydrophobicContact CB-CH2 3.61Å; F596-W660 HydrophobicContact CB-CZ2 3.97Å; F596-W660 HydrophobicContact CB-CZ3 4.37Å |
| 597 | V | 90 | Very high | 82.5 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.4 | 173 | -168.9 | 0 | 0 | 0 | 0 | 109 | L568 E574 Y604 Y606 | L568-V597 HydrophobicContact CD2-CB 3.76Å; L568-V597 HydrophobicContact CD2-CG1 3.63Å; E574-V597 HydrophobicContact CB-CG1 4.26Å; E574-V597 HydrophobicContact CB-CG2 4.26Å; V597-Y604 PolarHBondContact N-O 2.87Å; V597-Y604 PolarHBondContact O-N 3.22Å; V597-Y606 HydrophobicContact CG2-CD2 4.46Å; V597-Y606 HydrophobicContact CG2-CE2 4.21Å |
| 598 | L | 88 | Confident | 84.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.8 | 173.2 | 178.6 | 64.8 | 0 | 0 | 0 | 108.7 | G571 D572 C573 L603 L620 W660 R663 I664 L667 | G571-L598 CarbonylContact C-O 3.53Å; G571-L598 VanDerWaalsContact CA-O 3.3Å; G571-L598 WeakPolarHBondContact CA-O 3.34Å; D572-L598 PolarHBondContact N-O 2.77Å; C573-L598 HydrophobicContact CB-CB 4.22Å; C573-L598 HydrophobicContact CB-CD2 4.06Å; C573-L598 WeakPolarHBondContact O-CB 3.37Å; C573-L598 PolarHBondContact O-N 3.36Å; L598-L603 HydrophobicContact CB-CD1 4.06Å; L598-L603 HydrophobicContact CD1-CB 4.23Å; L598-L603 HydrophobicContact CD1-CD1 4.44Å; L598-L620 HydrophobicContact CD1-CD1 3.77Å; L598-W660 HydrophobicContact CB-CZ3 3.94Å; L598-R663 HydrophobicContact CD2-CB 4.15Å; L598-I664 HydrophobicContact CD1-CG1 4.21Å; L598-I664 HydrophobicContact CD2-CB 4.49Å; L598-I664 HydrophobicContact CD2-CG1 3.63Å; L598-L667 HydrophobicContact CD1-CD1 4.21Å; L598-L667 HydrophobicContact CD2-CD1 3.66Å; L598-L667 HydrophobicContact CG-CD1 3.69Å |
| 599 | K | 85.9 | Confident | 85.8 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 27% | 0.274 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 136.5 | 175.2 | -170.6 | -177.5 | 178.1 | 179.7 | 0 | 110.7 | L568 D572 A601 S602 | L568-K599 HydrophobicContact CD1-CD 4.3Å; L568-K599 HydrophobicContact CG-CB 4.45Å; L568-K599 HydrophobicContact CG-CD 4.02Å; L568-K599 VanDerWaalsContact O-CD 3.29Å; L568-K599 WeakPolarHBondContact O-CD 3.31Å; L568-K599 PolarHBondContact O-NZ 3.35Å; D572-K599 WeakPolarHBondContact OD2-CA 3.39Å; K599-A601 VanDerWaalsContact C-N 3.3Å; K599-A601 PolarHBondContact O-N 3.35Å; K599-S602 PolarHBondContact N-O 3.2Å; K599-S602 WeakPolarHBondContact O-CA 3.49Å; K599-S602 WeakPolarHBondContact O-CB 3.29Å; K599-S602 PolarHBondContact O-N 3.35Å |
| 600 | D | 81.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 50.2 Ų | 50.2 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 45.5 | 173.9 | -62.4 | -53.9 | 0 | 0 | 0 | 112.3 | D572 S602 | D572-D600 PolarHBondContact OD2-N 3.05Å; D600-S602 PolarHBondContact O-N 3.14Å |
| 601 | A | 82.5 | Confident | 86.3 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 15.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K599 L620 P621 L667 Y671 | K599-A601 VanDerWaalsContact C-N 3.3Å; K599-A601 PolarHBondContact O-N 3.35Å; A601-L620 VanDerWaalsContact O-CB 3.25Å; A601-L620 WeakPolarHBondContact O-CB 3.49Å; A601-L620 PolarHBondContact O-N 3.22Å; A601-P621 HydrophobicContact CB-CG 3.99Å; A601-L667 HydrophobicContact CB-CB 4.28Å; A601-Y671 HydrophobicContact CB-CD2 3.87Å; A601-Y671 HydrophobicContact CB-CG 4.45Å |
| 602 | S | 87.9 | Confident | 85.6 | Confident | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.3 | 175.8 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | K599 D600 I618 | K599-S602 PolarHBondContact N-O 3.2Å; K599-S602 WeakPolarHBondContact O-CA 3.49Å; K599-S602 WeakPolarHBondContact O-CB 3.29Å; K599-S602 PolarHBondContact O-N 3.35Å; D600-S602 PolarHBondContact O-N 3.14Å; S602-I618 CarbonylContact C-O 3.47Å; S602-I618 WeakPolarHBondContact CA-O 3.27Å |
| 603 | L | 89.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.4 | -178 | 178.2 | 70.5 | 0 | 0 | 0 | 110.1 | F596 L598 F617 I618 L620 F649 W660 | F596-L603 HydrophobicContact CB-CD1 4.25Å; F596-L603 HydrophobicContact CD1-CD1 3.78Å; F596-L603 HydrophobicContact CD1-CD2 3.95Å; F596-L603 HydrophobicContact CD1-CG 3.78Å; F596-L603 HydrophobicContact CE1-CD2 4.12Å; F596-L603 HydrophobicContact CE1-CG 4.3Å; L598-L603 HydrophobicContact CB-CD1 4.06Å; L598-L603 HydrophobicContact CD1-CB 4.23Å; L598-L603 HydrophobicContact CD1-CD1 4.44Å; L603-F617 CarbonylContact O-C 3.53Å; L603-F617 VanDerWaalsContact O-CA 3.23Å; L603-F617 WeakPolarHBondContact O-CA 3.26Å; L603-I618 HydrophobicContact CB-CG2 3.7Å; L603-I618 HydrophobicContact CD2-CG2 4.19Å; L603-I618 HydrophobicContact CG-CG2 4.28Å; L603-I618 PolarHBondContact N-O 3.08Å; L603-I618 PolarHBondContact O-N 3.34Å; L603-L620 HydrophobicContact CB-CD1 3.96Å; L603-L620 HydrophobicContact CB-CD2 4.48Å; L603-L620 HydrophobicContact CB-CG 4.29Å; L603-F649 HydrophobicContact CD2-CZ 4.26Å; L603-W660 HydrophobicContact CD1-CE3 4.44Å; L603-W660 HydrophobicContact CD1-CH2 4.19Å; L603-W660 HydrophobicContact CD1-CZ3 3.57Å |
| 604 | Y | 89.6 | Confident | 84.9 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150.9 | -179.4 | -59 | -92.5 | 0 | 0 | 0 | 109.8 | I563 L568 F596 V597 F617 | I563-Y604 HydrophobicContact CD1-CE1 3.96Å; L568-Y604 HydrophobicContact CD1-CD2 4.04Å; L568-Y604 HydrophobicContact CD1-CE2 3.87Å; L568-Y604 HydrophobicContact CD1-CG 4.47Å; L568-Y604 HydrophobicContact CD2-CD2 3.66Å; L568-Y604 HydrophobicContact CD2-CE2 4.28Å; L568-Y604 HydrophobicContact CD2-CG 4.02Å; F596-Y604 WeakPolarHBondContact CA-O 3.39Å; V597-Y604 PolarHBondContact N-O 2.87Å; V597-Y604 PolarHBondContact O-N 3.22Å; Y604-F617 HydrophobicContact CD1-CB 3.41Å; Y604-F617 VanDerWaalsContact CD1-CB 3.41Å; Y604-F617 HydrophobicContact CD1-CG 4.29Å; Y604-F617 HydrophobicContact CE1-CB 3.59Å; Y604-F617 HydrophobicContact CE1-CD2 4.39Å; Y604-F617 HydrophobicContact CE1-CG 4.01Å; Y604-F617 HydrophobicContact CG-CB 4.13Å |
| 605 | W | 90.8 | Very high | 84.5 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.3 | 172 | 64.2 | 84.6 | 0 | 0 | 0 | 113.5 | K579 W595 F596 A614 E615 G616 F617 I618 | K579-W605 HydrophobicContact CD-CD2 4.46Å; K579-W605 VanDerWaalsContact NZ-CH2 3.29Å; W595-W605 CarbonylContact O-C 3.59Å; W595-W605 VanDerWaalsContact O-CA 3.24Å; W595-W605 WeakPolarHBondContact O-CA 3.34Å; F596-W605 HydrophobicContact CD1-CB 3.69Å; F596-W605 HydrophobicContact CD2-CB 4.09Å; F596-W605 HydrophobicContact CE1-CB 3.6Å; F596-W605 HydrophobicContact CE1-CD2 4.18Å; F596-W605 AromaticContact CE1-CE3 3.88Å; F596-W605 HydrophobicContact CE1-CE3 3.88Å; F596-W605 HydrophobicContact CE1-CG 4.07Å; F596-W605 HydrophobicContact CE2-CB 4.02Å; F596-W605 HydrophobicContact CG-CB 3.96Å; F596-W605 HydrophobicContact CZ-CB 3.78Å; F596-W605 HydrophobicContact CZ-CG 4.15Å; W605-A614 CarbonylContact O-C 3.55Å; W605-A614 WeakPolarHBondContact O-CA 3.31Å; W605-E615 PolarHBondContact NE1-OE2 3.01Å; W605-E615 PolarHBondContact O-N 2.89Å; W605-G616 PolarHBondContact N-O 3.3Å; W605-G616 VanDerWaalsContact N-O 3.12Å; W605-F617 VanDerWaalsContact CH2-N 3.33Å; W605-F617 WeakPolarHBondContact CH2-O 3.48Å; W605-F617 VanDerWaalsContact CZ3-C 3.47Å; W605-I618 HydrophobicContact CZ3-CB 4.22Å; W605-I618 HydrophobicContact CZ3-CG2 4.02Å |
| 606 | Y | 88 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.5 | -171.7 | -56.8 | -97.1 | 0 | 0 | 0 | 109.4 | C565 Y594 W595 V597 N608 D611 A614 | C565-Y606 HydrophobicContact CB-CD1 3.95Å; C565-Y606 HydrophobicContact CB-CD2 4.34Å; C565-Y606 HydrophobicContact CB-CE1 3.77Å; C565-Y606 HydrophobicContact CB-CE2 4.2Å; C565-Y606 HydrophobicContact CB-CG 4.24Å; C565-Y606 VanDerWaalsContact N-CE1 3.31Å; Y594-Y606 CarbonylContact C-O 3.53Å; Y594-Y606 WeakPolarHBondContact CA-O 3.49Å; Y594-Y606 WeakPolarHBondContact CB-O 3.32Å; Y594-Y606 WeakPolarHBondContact CD1-O 3.23Å; W595-Y606 PolarHBondContact N-O 3.08Å; W595-Y606 PolarHBondContact O-N 3.08Å; V597-Y606 HydrophobicContact CG2-CD2 4.46Å; V597-Y606 HydrophobicContact CG2-CE2 4.21Å; Y606-N608 VanDerWaalsContact CB-O 3.24Å; Y606-N608 WeakPolarHBondContact CB-O 3.4Å; Y606-D611 HydrophobicContact CD1-CB 3.99Å; Y606-A614 HydrophobicContact CD1-CB 4.11Å; Y606-A614 HydrophobicContact CE1-CB 3.71Å; Y606-A614 VanDerWaalsContact CE1-N 3.25Å; Y606-A614 HydrophobicContact CE2-CB 4.4Å |
| 607 | I | 85.6 | Confident | 84.1 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -72.4 | -41.9 | 176.6 | -55.6 | 179.5 | 0 | 0 | 0 | 109.1 | Y594 D611 | Y594-I607 HydrophobicContact CD1-CG1 4.35Å; Y594-I607 HydrophobicContact CE1-CG1 4.1Å; I607-D611 VanDerWaalsContact CA-OD2 3.3Å; I607-D611 WeakPolarHBondContact CA-OD2 3.27Å; I607-D611 VanDerWaalsContact CB-OD2 3.27Å; I607-D611 WeakPolarHBondContact CB-OD2 3.44Å; I607-D611 PolarHBondContact N-OD2 3.33Å |
| 608 | N | 80.9 | Confident | 84 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -128 | 159.9 | 174.7 | -40 | -74.1 | 0 | 0 | 0 | 110.3 | Y606 E610 D611 | Y606-N608 VanDerWaalsContact CB-O 3.24Å; Y606-N608 WeakPolarHBondContact CB-O 3.4Å; N608-E610 PolarHBondContact O-N 3.27Å; N608-D611 PolarHBondContact N-OD2 3.25Å; N608-D611 PolarHBondContact ND2-OD1 3.08Å; N608-D611 PolarHBondContact O-N 3.01Å |
| 609 | E | 79.4 | Confident | 83.9 | Confident | 112 Ų | 112 | 59.4 Ų | 59.4 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.6 | 177 | -172.4 | 176.3 | 164.3 | 0 | 0 | 113.4 | C565 W595 | C565-E609 WeakPolarHBondContact CB-O 3.47Å; C565-E609 PolarHBondContact SG-O 3.25Å; W595-E609 HydrophobicContact CD2-CB 4.41Å; W595-E609 HydrophobicContact CD2-CG 4.39Å; W595-E609 HydrophobicContact CG-CB 4.33Å; W595-E609 HydrophobicContact CZ2-CG 4.31Å |
| 610 | E | 73.9 | Confident | 83.8 | Confident | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.8 | -177.7 | -58.3 | -150.2 | 100.4 | 0 | 0 | 115.4 | K566 N608 E612 | K566-E610 WeakPolarHBondContact CE-OE1 3.41Å; K566-E610 IonicContact NZ-OE1 3.68Å; K566-E610 PolarHBondContact NZ-OE1 2.83Å; N608-E610 PolarHBondContact O-N 3.27Å; E610-E612 PolarHBondContact O-N 3.4Å |
| 611 | D | 76.6 | Confident | 83.6 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.193 | 27% | 0.27 | C | S | . | . | trans | -62.5 | 127.8 | -171.1 | -73 | -14.9 | 0 | 0 | 0 | 113 | C565 Y606 I607 N608 K613 | C565-D611 PolarHBondContact N-O 3.13Å; C565-D611 VanDerWaalsContact N-O 3.11Å; Y606-D611 HydrophobicContact CD1-CB 3.99Å; I607-D611 VanDerWaalsContact CA-OD2 3.3Å; I607-D611 WeakPolarHBondContact CA-OD2 3.27Å; I607-D611 VanDerWaalsContact CB-OD2 3.27Å; I607-D611 WeakPolarHBondContact CB-OD2 3.44Å; I607-D611 PolarHBondContact N-OD2 3.33Å; N608-D611 PolarHBondContact N-OD2 3.25Å; N608-D611 PolarHBondContact ND2-OD1 3.08Å; N608-D611 PolarHBondContact O-N 3.01Å; D611-K613 PolarHBondContact O-N 3.13Å | ||
| 612 | E | 72.6 | Confident | 83.4 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 62% | 0.621 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -64 | -0.6 | 172.9 | -63.5 | -166.8 | 160.7 | 0 | 0 | 114.9 | R562 S564 E610 | R562-E612 IonicContact NH2-OE2 3.22Å; R562-E612 PolarHBondContact NH2-OE2 3.5Å; S564-E612 WeakPolarHBondContact CA-O 3.49Å; E610-E612 PolarHBondContact O-N 3.4Å |
| 613 | K | 80.8 | Confident | 83.1 | Confident | 122 Ų | 122 | 59.2 Ų | 59.2 | 53% | 0.53 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -157.2 | 117.8 | -172.6 | -169.9 | -156.4 | 168.1 | -163.3 | 0 | 111.6 | R562 D611 | R562-K613 HydrophobicContact CG-CG 4.49Å; D611-K613 PolarHBondContact O-N 3.13Å |
| 614 | A | 85.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 67 Ų | 67 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | trans | -54.2 | 138.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I563 W605 Y606 G616 | I563-A614 PolarHBondContact O-N 3.23Å; W605-A614 CarbonylContact O-C 3.55Å; W605-A614 WeakPolarHBondContact O-CA 3.31Å; Y606-A614 HydrophobicContact CD1-CB 4.11Å; Y606-A614 HydrophobicContact CE1-CB 3.71Å; Y606-A614 VanDerWaalsContact CE1-N 3.25Å; Y606-A614 HydrophobicContact CE2-CB 4.4Å; A614-G616 VanDerWaalsContact C-N 3.25Å | ||
| 615 | E | 84.2 | Confident | 82.7 | Confident | 104 Ų | 104 | 66.5 Ų | 66.5 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -68.5 | -32.7 | 172.1 | -163.2 | -89.3 | 172.8 | 0 | 0 | 110.1 | Y594 W605 | Y594-E615 HydrophobicContact CE1-CB 4.33Å; Y594-E615 HydrophobicContact CE1-CG 4.26Å; W605-E615 PolarHBondContact NE1-OE2 3.01Å; W605-E615 PolarHBondContact O-N 2.89Å |
| 616 | G | 84.6 | Confident | 82.5 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | -173.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W605 A614 | W605-G616 PolarHBondContact N-O 3.3Å; W605-G616 VanDerWaalsContact N-O 3.12Å; A614-G616 VanDerWaalsContact C-N 3.25Å |
| 617 | F | 88.1 | Confident | 82.5 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 167.8 | 178 | 74.3 | -80.8 | 0 | 0 | 0 | 110.8 | L603 Y604 W605 | L603-F617 CarbonylContact O-C 3.53Å; L603-F617 VanDerWaalsContact O-CA 3.23Å; L603-F617 WeakPolarHBondContact O-CA 3.26Å; Y604-F617 HydrophobicContact CD1-CB 3.41Å; Y604-F617 VanDerWaalsContact CD1-CB 3.41Å; Y604-F617 HydrophobicContact CD1-CG 4.29Å; Y604-F617 HydrophobicContact CE1-CB 3.59Å; Y604-F617 HydrophobicContact CE1-CD2 4.39Å; Y604-F617 HydrophobicContact CE1-CG 4.01Å; Y604-F617 HydrophobicContact CG-CB 4.13Å; W605-F617 VanDerWaalsContact CH2-N 3.33Å; W605-F617 WeakPolarHBondContact CH2-O 3.48Å; W605-F617 VanDerWaalsContact CZ3-C 3.47Å |
| 618 | I | 88.5 | Confident | 82.5 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 5% | 0.046 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 134.5 | 174.7 | -175.1 | -178 | 0 | 0 | 0 | 109.2 | S602 L603 W605 L620 F623 A639 F647 | S602-I618 CarbonylContact C-O 3.47Å; S602-I618 WeakPolarHBondContact CA-O 3.27Å; L603-I618 HydrophobicContact CB-CG2 3.7Å; L603-I618 HydrophobicContact CD2-CG2 4.19Å; L603-I618 HydrophobicContact CG-CG2 4.28Å; L603-I618 PolarHBondContact N-O 3.08Å; L603-I618 PolarHBondContact O-N 3.34Å; W605-I618 HydrophobicContact CZ3-CB 4.22Å; W605-I618 HydrophobicContact CZ3-CG2 4.02Å; I618-L620 HydrophobicContact CD1-CD2 3.97Å; I618-L620 HydrophobicContact CG1-CD2 4.1Å; I618-L620 HydrophobicContact CG2-CD2 3.78Å; I618-F623 HydrophobicContact CD1-CD1 3.78Å; I618-F623 HydrophobicContact CD1-CD2 4.21Å; I618-F623 HydrophobicContact CD1-CE1 3.6Å; I618-F623 HydrophobicContact CD1-CE2 4.05Å; I618-F623 HydrophobicContact CD1-CG 4.09Å; I618-F623 HydrophobicContact CD1-CZ 3.75Å; I618-F623 HydrophobicContact CG1-CD2 4.23Å; I618-F623 HydrophobicContact CG1-CE1 4.34Å; I618-F623 HydrophobicContact CG1-CE2 3.91Å; I618-F623 HydrophobicContact CG1-CZ 3.97Å; I618-A639 HydrophobicContact CD1-CB 4.28Å; I618-F647 HydrophobicContact CD1-CD2 3.43Å; I618-F647 VanDerWaalsContact CD1-CD2 3.43Å; I618-F647 HydrophobicContact CD1-CE2 3.72Å; I618-F647 HydrophobicContact CD1-CG 4.25Å; I618-F647 HydrophobicContact CG1-CE2 4.36Å |
| 619 | S | 85.8 | Confident | 82.3 | Confident | 53 Ų | 53 | 75 Ų | 75 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.2 | 171.1 | -167.8 | 0 | 0 | 0 | 0 | 108.2 | F623 | S619-F623 WeakPolarHBondContact O-CD2 3.29Å |
| 620 | L | 83.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | trans | -89.9 | -16.6 | -172.2 | -56.4 | -179.5 | 0 | 0 | 0 | 117.3 | L598 A601 L603 I618 E622 F623 I625 I664 | L598-L620 HydrophobicContact CD1-CD1 3.77Å; A601-L620 VanDerWaalsContact O-CB 3.25Å; A601-L620 WeakPolarHBondContact O-CB 3.49Å; A601-L620 PolarHBondContact O-N 3.22Å; L603-L620 HydrophobicContact CB-CD1 3.96Å; L603-L620 HydrophobicContact CB-CD2 4.48Å; L603-L620 HydrophobicContact CB-CG 4.29Å; I618-L620 HydrophobicContact CD1-CD2 3.97Å; I618-L620 HydrophobicContact CG1-CD2 4.1Å; I618-L620 HydrophobicContact CG2-CD2 3.78Å; L620-E622 PolarHBondContact O-N 3.14Å; L620-E622 VanDerWaalsContact O-N 3.15Å; L620-F623 PolarHBondContact O-N 3.25Å; L620-I625 HydrophobicContact CD2-CD1 4.36Å; L620-I664 HydrophobicContact CD1-CB 4.33Å; L620-I664 HydrophobicContact CD1-CD1 4.15Å; L620-I664 HydrophobicContact CD1-CG1 3.9Å; L620-I664 HydrophobicContact CD1-CG2 3.55Å | ||
| 621 | P | 77.7 | Confident | 82.3 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.3 | -179.8 | -31.2 | 37.5 | 0 | 0 | 0 | 115.7 | A601 Y671 | A601-P621 HydrophobicContact CB-CG 3.99Å; P621-Y671 HydrophobicContact CB-CD1 4.14Å; P621-Y671 HydrophobicContact CB-CG 4.41Å; P621-Y671 HydrophobicContact CG-CD1 3.84Å; P621-Y671 HydrophobicContact CG-CD2 4.11Å; P621-Y671 HydrophobicContact CG-CE1 4.27Å; P621-Y671 HydrophobicContact CG-CE2 4.5Å; P621-Y671 HydrophobicContact CG-CG 3.77Å |
| 622 | E | 77.2 | Confident | 82.1 | Confident | 128 Ų | 128 | 80.8 Ų | 80.8 | 60% | 0.598 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.6 | 177.8 | -59.8 | 177.5 | -107.8 | 0 | 0 | 113.4 | L620 H641 | L620-E622 PolarHBondContact O-N 3.14Å; L620-E622 VanDerWaalsContact O-N 3.15Å; E622-H641 VanDerWaalsContact CB-NE2 3.29Å; E622-H641 WeakPolarHBondContact CB-NE2 3.33Å; E622-H641 PolarHBondContact O-CD2 3.37Å; E622-H641 IonicContact OE2-NE2 3.28Å |
| 623 | F | 81.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 77.5 Ų | 77.5 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | trans | -100.4 | 131.5 | -174.3 | -77.3 | -106.5 | 0 | 0 | 0 | 112.2 | I618 S619 L620 I625 A639 C640 H641 I644 F647 | I618-F623 HydrophobicContact CD1-CD1 3.78Å; I618-F623 HydrophobicContact CD1-CD2 4.21Å; I618-F623 HydrophobicContact CD1-CE1 3.6Å; I618-F623 HydrophobicContact CD1-CE2 4.05Å; I618-F623 HydrophobicContact CD1-CG 4.09Å; I618-F623 HydrophobicContact CD1-CZ 3.75Å; I618-F623 HydrophobicContact CG1-CD2 4.23Å; I618-F623 HydrophobicContact CG1-CE1 4.34Å; I618-F623 HydrophobicContact CG1-CE2 3.91Å; I618-F623 HydrophobicContact CG1-CZ 3.97Å; S619-F623 WeakPolarHBondContact O-CD2 3.29Å; L620-F623 PolarHBondContact O-N 3.25Å; F623-I625 HydrophobicContact CB-CD1 4.17Å; F623-A639 HydrophobicContact CB-CB 4.36Å; F623-A639 HydrophobicContact CD1-CB 3.87Å; F623-A639 HydrophobicContact CG-CB 4.47Å; F623-C640 CarbonylContact C-O 3.55Å; F623-C640 WeakPolarHBondContact CA-O 3.4Å; F623-H641 HydrophobicContact CD1-CB 3.57Å; F623-H641 HydrophobicContact CD2-CB 4.24Å; F623-H641 AromaticContact CD2-CD2 3.63Å; F623-H641 HydrophobicContact CE1-CB 3.34Å; F623-H641 HydrophobicContact CE2-CB 4.05Å; F623-H641 AromaticContact CE2-CD2 3.55Å; F623-H641 AromaticContact CE2-CG 3.95Å; F623-H641 HydrophobicContact CG-CB 4.02Å; F623-H641 HydrophobicContact CZ-CB 3.61Å; F623-H641 AromaticContact CZ-CD2 3.97Å; F623-H641 AromaticContact CZ-CG 3.88Å; F623-I644 HydrophobicContact CE2-CD1 4.34Å; F623-I644 HydrophobicContact CZ-CB 4.04Å; F623-I644 HydrophobicContact CZ-CD1 4.2Å; F623-I644 HydrophobicContact CZ-CG2 3.91Å; F623-F647 AromaticContact CE1-CD2 3.97Å; F623-F647 HydrophobicContact CE1-CD2 3.97Å; F623-F647 HydrophobicContact CE1-CE2 4.1Å; F623-F647 HydrophobicContact CZ-CE2 4.23Å | ||
| 624 | K | 82.5 | Confident | 82.5 | Confident | 164 Ų | 164 | 79.1 Ų | 79.1 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.2 | 167.8 | -65 | -169.6 | 176.3 | -170.8 | 0 | 109.9 | A639 C640 | K624-A639 CarbonylContact O-C 3.57Å; K624-A639 WeakPolarHBondContact O-CA 3.28Å; K624-C640 PolarHBondContact N-O 2.88Å; K624-C640 PolarHBondContact O-N 2.83Å |
| 625 | I | 88.7 | Confident | 82.6 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.1 | -173.1 | -44.4 | -64.6 | 0 | 0 | 0 | 109.8 | L620 F623 F637 K638 A639 L661 I664 | L620-I625 HydrophobicContact CD2-CD1 4.36Å; F623-I625 HydrophobicContact CB-CD1 4.17Å; I625-F637 HydrophobicContact CG2-CD2 4.16Å; I625-K638 WeakPolarHBondContact CA-O 3.32Å; I625-A639 HydrophobicContact CD1-CB 3.63Å; I625-L661 HydrophobicContact CG2-CD2 3.56Å; I625-I664 HydrophobicContact CD1-CG2 4.11Å; I625-I664 HydrophobicContact CG1-CG2 3.69Å |
| 626 | D | 86.1 | Confident | 82.9 | Confident | 71 Ų | 71 | 78 Ų | 78 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.9 | -174.8 | -54.5 | -55.7 | 0 | 0 | 0 | 111.6 | F637 K638 | D626-F637 CarbonylContact O-C 3.6Å; D626-F637 WeakPolarHBondContact O-CA 3.23Å; D626-F637 WeakPolarHBondContact O-CB 3.38Å; D626-K638 HydrophobicContact CB-CD 4.48Å; D626-K638 HydrophobicContact CB-CG 3.9Å; D626-K638 PolarHBondContact N-O 3.2Å; D626-K638 PolarHBondContact O-N 3.21Å |
| 627 | R | 87.3 | Confident | 83.3 | Confident | 157 Ų | 157 | 77.3 Ų | 77.3 | 59% | 0.592 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.1 | 164.2 | -73.1 | 175.4 | 172.8 | 160.6 | -5.2 | 109.4 | S629 M657 N658 L661 | R627-S629 PolarHBondContact O-N 3.3Å; R627-M657 HydrophobicContact CG-CE 4.26Å; R627-N658 PolarHBondContact NH2-OD1 3.35Å; R627-L661 HydrophobicContact CG-CD1 3.79Å |
| 628 | A | 85.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | trans | -99.9 | 61.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E630 C631 A636 K638 Y648 | A628-E630 PolarHBondContact O-N 3.34Å; A628-E630 VanDerWaalsContact O-N 3.1Å; A628-C631 WeakPolarHBondContact O-CB 3.46Å; A628-C631 PolarHBondContact O-N 3.16Å; A628-A636 HydrophobicContact CB-CB 4.11Å; A628-A636 PolarHBondContact N-O 3.42Å; A628-K638 HydrophobicContact CB-CB 4.06Å; A628-K638 HydrophobicContact CB-CD 4.26Å; A628-K638 HydrophobicContact CB-CG 4.09Å; A628-Y648 HydrophobicContact CB-CD1 4.24Å | ||
| 629 | S | 78.2 | Confident | 83.5 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 86% | 0.86 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21 | 179.8 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | R627 C631 | R627-S629 PolarHBondContact O-N 3.3Å; S629-C631 PolarHBondContact O-N 2.95Å |
| 630 | E | 76.1 | Confident | 83.5 | Confident | 116 Ų | 116 | 72 Ų | 72 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -11.6 | 173.6 | 73.5 | -147.4 | 134.6 | 0 | 0 | 114.3 | A628 K638 | A628-E630 PolarHBondContact O-N 3.34Å; A628-E630 VanDerWaalsContact O-N 3.1Å; E630-K638 VanDerWaalsContact OE1-CD 3.25Å; E630-K638 WeakPolarHBondContact OE1-CD 3.37Å; E630-K638 WeakPolarHBondContact OE1-CE 3.48Å; E630-K638 IonicContact OE1-NZ 2.64Å; E630-K638 PolarHBondContact OE1-NZ 3.48Å; E630-K638 IonicContact OE2-NZ 2.65Å |
| 631 | C | 76.7 | Confident | 83.4 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -89.8 | 130.5 | 180 | -78.5 | 0 | 0 | 0 | 0 | 112.4 | W591 A628 S629 K633 A636 | W591-C631 HydrophobicContact CZ2-CB 4.35Å; A628-C631 WeakPolarHBondContact O-CB 3.46Å; A628-C631 PolarHBondContact O-N 3.16Å; S629-C631 PolarHBondContact O-N 2.95Å; C631-K633 PolarHBondContact O-N 3.45Å; C631-A636 HydrophobicContact CB-CB 3.87Å |
| 632 | R | 73 | Confident | 83.2 | Confident | 267 Ų | 267 | 76.6 Ų | 76.6 | 100% | 1.008 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -61.7 | -6.6 | 174 | -67.6 | -172.7 | 179.9 | -176.9 | 0.2 | 115.3 | ||
| 633 | K | 80.8 | Confident | 82.8 | Confident | 64 Ų | 64 | 79.2 Ų | 79.2 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -98.6 | 127.8 | 174.5 | -176.2 | 161.3 | -179.2 | 170.4 | 0 | 108.8 | W578 W591 C631 A636 A650 | W578-K633 VanDerWaalsContact CE2-NZ 3.28Å; W591-K633 HydrophobicContact CD2-CD 4.42Å; W591-K633 HydrophobicContact CZ2-CB 4.21Å; C631-K633 PolarHBondContact O-N 3.45Å; K633-A636 WeakPolarHBondContact O-CB 3.48Å; K633-A650 HydrophobicContact CD-CB 4.07Å; K633-A650 HydrophobicContact CG-CB 4.11Å |
| 634 | K | 80.5 | Confident | 82.7 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -58.2 | 155.2 | 176.7 | -62.6 | -174.3 | 177.7 | -174.7 | 0 | 111.1 | A636 | K634-A636 VanDerWaalsContact C-N 3.27Å; K634-A636 PolarHBondContact O-N 2.81Å |
| 635 | Y | 87.4 | Confident | 82.5 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 35% | 0.345 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 56.5 | 38.1 | 175.8 | -39.7 | -51 | 0 | 0 | 0 | 113.9 | A650 A651 E652 L654 M657 | Y635-A650 WeakPolarHBondContact O-CA 3.31Å; Y635-A651 PolarHBondContact O-N 3.39Å; Y635-E652 WeakPolarHBondContact CD2-O 3.04Å; Y635-L654 HydrophobicContact CD1-CB 3.8Å; Y635-L654 HydrophobicContact CD1-CD1 3.69Å; Y635-L654 HydrophobicContact CD1-CG 4.35Å; Y635-L654 HydrophobicContact CE1-CB 3.64Å; Y635-L654 HydrophobicContact CE1-CD1 3.93Å; Y635-L654 HydrophobicContact CE1-CG 4.3Å; Y635-M657 VanDerWaalsContact C-SD 3.54Å |
| 636 | A | 90.7 | Very high | 82.5 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 7% | 0.066 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 142.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A628 C631 K633 K634 F649 A650 | A628-A636 HydrophobicContact CB-CB 4.11Å; A628-A636 PolarHBondContact N-O 3.42Å; C631-A636 HydrophobicContact CB-CB 3.87Å; K633-A636 WeakPolarHBondContact O-CB 3.48Å; K634-A636 VanDerWaalsContact C-N 3.27Å; K634-A636 PolarHBondContact O-N 2.81Å; A636-F649 CarbonylContact C-O 3.49Å; A636-F649 VanDerWaalsContact CA-O 3.25Å; A636-F649 WeakPolarHBondContact CA-O 3.5Å; A636-A650 HydrophobicContact CB-CB 4.02Å |
| 637 | F | 92.3 | Very high | 82.6 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 161.1 | 172.9 | 68.4 | -82.5 | 0 | 0 | 0 | 111 | L577 I625 D626 F649 M657 W660 L661 I664 | L577-F637 HydrophobicContact CD1-CE1 4.07Å; L577-F637 HydrophobicContact CD1-CZ 3.77Å; L577-F637 HydrophobicContact CD2-CE1 4.3Å; I625-F637 HydrophobicContact CG2-CD2 4.16Å; D626-F637 CarbonylContact O-C 3.6Å; D626-F637 WeakPolarHBondContact O-CA 3.23Å; D626-F637 WeakPolarHBondContact O-CB 3.38Å; F637-F649 HydrophobicContact CD1-CB 4.04Å; F637-F649 HydrophobicContact CD2-CB 4.3Å; F637-F649 HydrophobicContact CD2-CD2 4.09Å; F637-F649 HydrophobicContact CE1-CB 3.66Å; F637-F649 HydrophobicContact CE2-CB 3.94Å; F637-F649 AromaticContact CE2-CD2 3.7Å; F637-F649 HydrophobicContact CE2-CD2 3.7Å; F637-F649 HydrophobicContact CE2-CG 4.14Å; F637-F649 HydrophobicContact CG-CB 4.36Å; F637-F649 HydrophobicContact CZ-CB 3.62Å; F637-F649 HydrophobicContact CZ-CD2 4.17Å; F637-F649 HydrophobicContact CZ-CG 4.13Å; F637-F649 PolarHBondContact N-O 3.17Å; F637-F649 PolarHBondContact O-N 2.98Å; F637-M657 HydrophobicContact CB-CG 4.48Å; F637-M657 HydrophobicContact CD1-CG 3.98Å; F637-W660 HydrophobicContact CE1-CB 4.3Å; F637-W660 HydrophobicContact CZ-CB 4.07Å; F637-L661 HydrophobicContact CB-CD2 3.92Å; F637-L661 HydrophobicContact CB-CG 4.45Å; F637-L661 HydrophobicContact CD2-CD2 4.1Å; F637-L661 HydrophobicContact CG-CD2 4.17Å; F637-I664 HydrophobicContact CE2-CD1 4.14Å |
| 638 | K | 91.7 | Very high | 82.8 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.4 | -177.3 | 61.7 | -177 | 179 | -176.5 | 0 | 111.8 | I625 D626 A628 E630 C640 F647 Y648 | I625-K638 WeakPolarHBondContact CA-O 3.32Å; D626-K638 HydrophobicContact CB-CD 4.48Å; D626-K638 HydrophobicContact CB-CG 3.9Å; D626-K638 PolarHBondContact N-O 3.2Å; D626-K638 PolarHBondContact O-N 3.21Å; A628-K638 HydrophobicContact CB-CB 4.06Å; A628-K638 HydrophobicContact CB-CD 4.26Å; A628-K638 HydrophobicContact CB-CG 4.09Å; E630-K638 VanDerWaalsContact OE1-CD 3.25Å; E630-K638 WeakPolarHBondContact OE1-CD 3.37Å; E630-K638 WeakPolarHBondContact OE1-CE 3.48Å; E630-K638 IonicContact OE1-NZ 2.64Å; E630-K638 PolarHBondContact OE1-NZ 3.48Å; E630-K638 IonicContact OE2-NZ 2.65Å; K638-C640 VanDerWaalsContact CD-SG 3.57Å; K638-F647 CarbonylContact C-O 3.53Å; K638-F647 WeakPolarHBondContact CA-O 3.44Å; K638-F647 WeakPolarHBondContact CB-O 3.45Å; K638-Y648 HydrophobicContact CB-CD1 3.85Å; K638-Y648 HydrophobicContact CB-CE1 4Å; K638-Y648 HydrophobicContact CB-CG 4.4Å; K638-Y648 HydrophobicContact CD-CE1 3.91Å |
| 639 | A | 90.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 111.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | I618 F623 K624 I625 S646 F647 F649 | I618-A639 HydrophobicContact CD1-CB 4.28Å; F623-A639 HydrophobicContact CB-CB 4.36Å; F623-A639 HydrophobicContact CD1-CB 3.87Å; F623-A639 HydrophobicContact CG-CB 4.47Å; K624-A639 CarbonylContact O-C 3.57Å; K624-A639 WeakPolarHBondContact O-CA 3.28Å; I625-A639 HydrophobicContact CD1-CB 3.63Å; A639-S646 CarbonylContact O-C 3.49Å; A639-S646 WeakPolarHBondContact O-CA 3.23Å; A639-S646 WeakPolarHBondContact O-CB 3.44Å; A639-F647 PolarHBondContact N-O 3.12Å; A639-F647 PolarHBondContact O-N 3.47Å; A639-F649 HydrophobicContact CB-CE2 4.11Å |
| 640 | C | 84.8 | Confident | 83.8 | Confident | 25 Ų | 25 | 69 Ų | 69 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.9 | -177.4 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | F623 K624 K638 | F623-C640 CarbonylContact C-O 3.55Å; F623-C640 WeakPolarHBondContact CA-O 3.4Å; K624-C640 PolarHBondContact N-O 2.88Å; K624-C640 PolarHBondContact O-N 2.83Å; K638-C640 VanDerWaalsContact CD-SG 3.57Å |
| 641 | H | 82.3 | Confident | 84.6 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.1 | 178.4 | -174.7 | -91.3 | 0 | 0 | 0 | 110.8 | E622 F623 K643 I644 | E622-H641 VanDerWaalsContact CB-NE2 3.29Å; E622-H641 WeakPolarHBondContact CB-NE2 3.33Å; E622-H641 PolarHBondContact O-CD2 3.37Å; E622-H641 IonicContact OE2-NE2 3.28Å; F623-H641 HydrophobicContact CD1-CB 3.57Å; F623-H641 HydrophobicContact CD2-CB 4.24Å; F623-H641 AromaticContact CD2-CD2 3.63Å; F623-H641 HydrophobicContact CE1-CB 3.34Å; F623-H641 HydrophobicContact CE2-CB 4.05Å; F623-H641 AromaticContact CE2-CD2 3.55Å; F623-H641 AromaticContact CE2-CG 3.95Å; F623-H641 HydrophobicContact CG-CB 4.02Å; F623-H641 HydrophobicContact CZ-CB 3.61Å; F623-H641 AromaticContact CZ-CD2 3.97Å; F623-H641 AromaticContact CZ-CG 3.88Å; H641-K643 VanDerWaalsContact C-N 3.25Å; H641-K643 PolarHBondContact ND1-N 3.42Å; H641-K643 VanDerWaalsContact ND1-N 3.11Å; H641-K643 PolarHBondContact O-N 3.3Å; H641-I644 HydrophobicContact CB-CB 4.02Å; H641-I644 VanDerWaalsContact CE1-CD1 3.5Å; H641-I644 WeakPolarHBondContact CE1-CD1 3.37Å; H641-I644 WeakPolarHBondContact ND1-CB 3.26Å; H641-I644 WeakPolarHBondContact ND1-CG1 3.5Å; H641-I644 PolarHBondContact ND1-N 3.23Å |
| 642 | P | 73.3 | Confident | 85.1 | Confident | 125 Ų | 125 | 66.3 Ų | 66.3 | 81% | 0.812 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.5 | -174.4 | 25.7 | -34.6 | 0 | 0 | 0 | 114 | ||
| 643 | K | 70.5 | Confident | 85.8 | Confident | 182 Ų | 182 | 59.1 Ų | 59.1 | 79% | 0.791 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -2.1 | -177.6 | -53 | 173.2 | -176.6 | 168 | 0 | 114.6 | H641 | H641-K643 VanDerWaalsContact C-N 3.25Å; H641-K643 PolarHBondContact ND1-N 3.42Å; H641-K643 VanDerWaalsContact ND1-N 3.11Å; H641-K643 PolarHBondContact O-N 3.3Å |
| 644 | I | 78.9 | Confident | 86.1 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 44% | 0.436 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145 | -171.6 | -59.8 | 168.9 | 0 | 0 | 0 | 108.2 | F623 H641 S646 F647 | F623-I644 HydrophobicContact CE2-CD1 4.34Å; F623-I644 HydrophobicContact CZ-CB 4.04Å; F623-I644 HydrophobicContact CZ-CD1 4.2Å; F623-I644 HydrophobicContact CZ-CG2 3.91Å; H641-I644 HydrophobicContact CB-CB 4.02Å; H641-I644 VanDerWaalsContact CE1-CD1 3.5Å; H641-I644 WeakPolarHBondContact CE1-CD1 3.37Å; H641-I644 WeakPolarHBondContact ND1-CB 3.26Å; H641-I644 WeakPolarHBondContact ND1-CG1 3.5Å; H641-I644 PolarHBondContact ND1-N 3.23Å; I644-S646 PolarHBondContact O-N 3.44Å; I644-F647 HydrophobicContact CG2-CE2 4.42Å |
| 645 | K | 78.6 | Confident | 86.4 | Confident | 116 Ų | 116 | 57.4 Ų | 57.4 | 50% | 0.504 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 130.4 | 179.6 | -175.3 | 172.8 | -174.5 | 170.5 | 0 | 112.4 | D582 F647 | D582-K645 WeakPolarHBondContact OD1-CE 3.49Å; D582-K645 IonicContact OD1-NZ 3.52Å; D582-K645 PolarHBondContact OD1-NZ 2.82Å; D582-K645 WeakPolarHBondContact OD2-CE 2.96Å; D582-K645 IonicContact OD2-NZ 3.89Å; D582-K645 PolarHBondContact OD2-NZ 2.95Å; K645-F647 WeakPolarHBondContact O-CD2 3.39Å; K645-F647 WeakPolarHBondContact O-CE2 3.21Å |
| 646 | S | 87.4 | Confident | 86.5 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 134.1 | 175.5 | -48.1 | 0 | 0 | 0 | 0 | 112.1 | A639 I644 | A639-S646 CarbonylContact O-C 3.49Å; A639-S646 WeakPolarHBondContact O-CA 3.23Å; A639-S646 WeakPolarHBondContact O-CB 3.44Å; I644-S646 PolarHBondContact O-N 3.44Å |
| 647 | F | 89 | Confident | 86.5 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.3 | 175.5 | -63.4 | -88.7 | 0 | 0 | 0 | 110.5 | I618 F623 K638 A639 I644 K645 F649 | I618-F647 HydrophobicContact CD1-CD2 3.43Å; I618-F647 VanDerWaalsContact CD1-CD2 3.43Å; I618-F647 HydrophobicContact CD1-CE2 3.72Å; I618-F647 HydrophobicContact CD1-CG 4.25Å; I618-F647 HydrophobicContact CG1-CE2 4.36Å; F623-F647 AromaticContact CE1-CD2 3.97Å; F623-F647 HydrophobicContact CE1-CD2 3.97Å; F623-F647 HydrophobicContact CE1-CE2 4.1Å; F623-F647 HydrophobicContact CZ-CE2 4.23Å; K638-F647 CarbonylContact C-O 3.53Å; K638-F647 WeakPolarHBondContact CA-O 3.44Å; K638-F647 WeakPolarHBondContact CB-O 3.45Å; A639-F647 PolarHBondContact N-O 3.12Å; A639-F647 PolarHBondContact O-N 3.47Å; I644-F647 HydrophobicContact CG2-CE2 4.42Å; K645-F647 WeakPolarHBondContact O-CD2 3.39Å; K645-F647 WeakPolarHBondContact O-CE2 3.21Å; F647-F649 HydrophobicContact CB-CE1 4.41Å; F647-F649 HydrophobicContact CB-CE2 3.73Å; F647-F649 HydrophobicContact CB-CZ 3.57Å; F647-F649 HydrophobicContact CG-CZ 4.4Å |
| 648 | Y | 90.7 | Very high | 86.3 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.1 | -179.4 | -63.3 | -100.1 | 0 | 0 | 0 | 110.4 | K580 A628 K638 | K580-Y648 HydrophobicContact CD-CD2 4.25Å; K580-Y648 HydrophobicContact CD-CG 4.06Å; K580-Y648 PolarHBondContact N-O 3.12Å; A628-Y648 HydrophobicContact CB-CD1 4.24Å; K638-Y648 HydrophobicContact CB-CD1 3.85Å; K638-Y648 HydrophobicContact CB-CE1 4Å; K638-Y648 HydrophobicContact CB-CG 4.4Å; K638-Y648 HydrophobicContact CD-CE1 3.91Å |
| 649 | F | 92.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.6 | -178 | -50.5 | -74.3 | 0 | 0 | 0 | 109.4 | W578 K579 F596 L603 A636 F637 A639 F647 | W578-F649 CarbonylContact O-C 3.6Å; W578-F649 VanDerWaalsContact O-CA 3.28Å; W578-F649 WeakPolarHBondContact O-CA 3.27Å; K579-F649 HydrophobicContact CB-CD1 4.49Å; K579-F649 HydrophobicContact CD-CE1 4.31Å; K579-F649 HydrophobicContact CG-CD1 4.19Å; K579-F649 HydrophobicContact CG-CE1 4.06Å; F596-F649 AromaticContact CE1-CD1 3.83Å; F596-F649 HydrophobicContact CE1-CD1 3.83Å; F596-F649 AromaticContact CE1-CE1 3.5Å; F596-F649 HydrophobicContact CE1-CE1 3.5Å; F596-F649 HydrophobicContact CE1-CZ 4.4Å; F596-F649 AromaticContact CZ-CD1 3.61Å; F596-F649 HydrophobicContact CZ-CD1 3.61Å; F596-F649 AromaticContact CZ-CE1 3.6Å; F596-F649 HydrophobicContact CZ-CE1 3.6Å; L603-F649 HydrophobicContact CD2-CZ 4.26Å; A636-F649 CarbonylContact C-O 3.49Å; A636-F649 VanDerWaalsContact CA-O 3.25Å; A636-F649 WeakPolarHBondContact CA-O 3.5Å; F637-F649 HydrophobicContact CD1-CB 4.04Å; F637-F649 HydrophobicContact CD2-CB 4.3Å; F637-F649 HydrophobicContact CD2-CD2 4.09Å; F637-F649 HydrophobicContact CE1-CB 3.66Å; F637-F649 HydrophobicContact CE2-CB 3.94Å; F637-F649 AromaticContact CE2-CD2 3.7Å; F637-F649 HydrophobicContact CE2-CD2 3.7Å; F637-F649 HydrophobicContact CE2-CG 4.14Å; F637-F649 HydrophobicContact CG-CB 4.36Å; F637-F649 HydrophobicContact CZ-CB 3.62Å; F637-F649 HydrophobicContact CZ-CD2 4.17Å; F637-F649 HydrophobicContact CZ-CG 4.13Å; F637-F649 PolarHBondContact N-O 3.17Å; F637-F649 PolarHBondContact O-N 2.98Å; A639-F649 HydrophobicContact CB-CE2 4.11Å; F647-F649 HydrophobicContact CB-CE1 4.41Å; F647-F649 HydrophobicContact CB-CE2 3.73Å; F647-F649 HydrophobicContact CB-CZ 3.57Å; F647-F649 HydrophobicContact CG-CZ 4.4Å |
| 650 | A | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 136.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | W578 W591 K633 Y635 A636 | W578-A650 HydrophobicContact CB-CB 4.35Å; W578-A650 WeakPolarHBondContact CB-O 3.35Å; W578-A650 PolarHBondContact N-O 3.31Å; W578-A650 PolarHBondContact O-N 2.9Å; W591-A650 HydrophobicContact CE3-CB 4.38Å; W591-A650 HydrophobicContact CH2-CB 4.11Å; W591-A650 HydrophobicContact CZ3-CB 3.78Å; K633-A650 HydrophobicContact CD-CB 4.07Å; K633-A650 HydrophobicContact CG-CB 4.11Å; Y635-A650 WeakPolarHBondContact O-CA 3.31Å; A636-A650 HydrophobicContact CB-CB 4.02Å |
| 651 | A | 92.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | trans | -81.8 | -179.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L577 Y635 H653 D656 M657 | L577-A651 HydrophobicContact CD2-CB 3.86Å; Y635-A651 PolarHBondContact O-N 3.39Å; A651-H653 WeakPolarHBondContact CB-O 3.39Å; A651-D656 HydrophobicContact CB-CB 3.6Å; A651-M657 HydrophobicContact CB-CB 3.94Å | ||
| 652 | E | 87 | Confident | 86.7 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -94.9 | -34 | 172.8 | -53.6 | -161.1 | 130.5 | 0 | 0 | 110.5 | W578 K593 Y635 | W578-E652 PolarHBondContact NE1-OE1 2.86Å; K593-E652 WeakPolarHBondContact CE-OE1 3.44Å; K593-E652 IonicContact NZ-OE1 3.09Å; K593-E652 PolarHBondContact NZ-OE1 3.2Å; K593-E652 IonicContact NZ-OE2 2.8Å; K593-E652 PolarHBondContact NZ-OE2 2.92Å; Y635-E652 WeakPolarHBondContact CD2-O 3.04Å |
| 653 | H | 87.9 | Confident | 87.4 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -119.5 | 166.3 | 175.2 | -58.8 | -90.1 | 0 | 0 | 0 | 113.1 | A651 D655 D656 M657 | A651-H653 WeakPolarHBondContact CB-O 3.39Å; H653-D655 VanDerWaalsContact C-N 3.32Å; H653-D656 IonicContact CD2-OD2 2.92Å; H653-D656 IonicContact CG-OD2 2.69Å; H653-D656 PolarHBondContact N-OD2 3.2Å; H653-M657 PolarHBondContact O-N 3.31Å |
| 654 | L | 86.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 57 Ų | 57 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 177.7 | -178 | 62.9 | 0 | 0 | 0 | 111.5 | Y635 M657 N658 | Y635-L654 HydrophobicContact CD1-CB 3.8Å; Y635-L654 HydrophobicContact CD1-CD1 3.69Å; Y635-L654 HydrophobicContact CD1-CG 4.35Å; Y635-L654 HydrophobicContact CE1-CB 3.64Å; Y635-L654 HydrophobicContact CE1-CD1 3.93Å; Y635-L654 HydrophobicContact CE1-CG 4.3Å; L654-M657 HydrophobicContact CD1-CE 3.82Å; L654-M657 WeakPolarHBondContact O-CB 3.18Å; L654-M657 PolarHBondContact O-N 2.98Å; L654-N658 PolarHBondContact O-N 3.19Å; L654-N658 PolarHBondContact O-ND2 3.22Å |
| 655 | D | 87.4 | Confident | 88.5 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -77.5 | -33.4 | -172.6 | -51.5 | -73.7 | 0 | 0 | 0 | 111.6 | H653 N658 R659 | H653-D655 VanDerWaalsContact C-N 3.32Å; D655-N658 PolarHBondContact O-N 3.14Å; D655-R659 WeakPolarHBondContact O-CB 3.25Å; D655-R659 PolarHBondContact O-N 3.26Å |
| 656 | D | 89 | Confident | 88.7 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.3 | -51 | 163.2 | -73 | -37 | 0 | 0 | 0 | 110.9 | A651 H653 N658 R659 W660 | A651-D656 HydrophobicContact CB-CB 3.6Å; H653-D656 IonicContact CD2-OD2 2.92Å; H653-D656 IonicContact CG-OD2 2.69Å; H653-D656 PolarHBondContact N-OD2 3.2Å; D656-N658 VanDerWaalsContact C-N 3.32Å; D656-N658 PolarHBondContact O-N 3.12Å; D656-R659 WeakPolarHBondContact O-CB 3.34Å; D656-R659 PolarHBondContact O-N 3.03Å; D656-W660 WeakPolarHBondContact O-CB 3.31Å; D656-W660 PolarHBondContact O-N 2.74Å |
| 657 | M | 89.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 179.4 | -176 | -159.4 | 72.1 | 0 | 0 | 111 | R627 Y635 F637 A651 H653 L654 W660 L661 | R627-M657 HydrophobicContact CG-CE 4.26Å; Y635-M657 VanDerWaalsContact C-SD 3.54Å; F637-M657 HydrophobicContact CB-CG 4.48Å; F637-M657 HydrophobicContact CD1-CG 3.98Å; A651-M657 HydrophobicContact CB-CB 3.94Å; H653-M657 PolarHBondContact O-N 3.31Å; L654-M657 HydrophobicContact CD1-CE 3.82Å; L654-M657 WeakPolarHBondContact O-CB 3.18Å; L654-M657 PolarHBondContact O-N 2.98Å; M657-W660 PolarHBondContact O-N 3.19Å; M657-L661 HydrophobicContact CE-CD1 4.03Å; M657-L661 HydrophobicContact CG-CD1 4.04Å; M657-L661 WeakPolarHBondContact O-CB 3.41Å; M657-L661 WeakPolarHBondContact O-CG 3.29Å; M657-L661 PolarHBondContact O-N 3.44Å; M657-L661 HydrophobicContact SD-CD1 4.43Å |
| 658 | N | 88.8 | Confident | 87.5 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 177.7 | -69.1 | -31.4 | 0 | 0 | 0 | 112.2 | R627 L654 D655 D656 L661 N662 | R627-N658 PolarHBondContact NH2-OD1 3.35Å; L654-N658 PolarHBondContact O-N 3.19Å; L654-N658 PolarHBondContact O-ND2 3.22Å; D655-N658 PolarHBondContact O-N 3.14Å; D656-N658 VanDerWaalsContact C-N 3.32Å; D656-N658 PolarHBondContact O-N 3.12Å; N658-L661 PolarHBondContact O-N 2.89Å; N658-N662 VanDerWaalsContact O-CB 3.28Å; N658-N662 WeakPolarHBondContact O-CB 3.21Å; N658-N662 PolarHBondContact O-N 2.73Å; N658-N662 PolarHBondContact O-ND2 2.74Å; N658-N662 PolarHBondContact O-OD1 3.3Å |
| 659 | R | 91.4 | Very high | 86.6 | Confident | 142 Ų | 142 | 55.5 Ų | 55.5 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 173.7 | 173 | 179.8 | 174 | 163.9 | -0.8 | 111.3 | D655 D656 R663 | D655-R659 WeakPolarHBondContact O-CB 3.25Å; D655-R659 PolarHBondContact O-N 3.26Å; D656-R659 WeakPolarHBondContact O-CB 3.34Å; D656-R659 PolarHBondContact O-N 3.03Å; R659-R663 VanDerWaalsContact O-CB 3.29Å; R659-R663 WeakPolarHBondContact O-CB 3.48Å; R659-R663 VanDerWaalsContact O-CG 3.29Å; R659-R663 WeakPolarHBondContact O-CG 3.43Å; R659-R663 PolarHBondContact O-N 3.38Å |
| 660 | W | 90.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 176.6 | -83.1 | 103.7 | 0 | 0 | 0 | 111.9 | C573 L577 F596 L598 L603 F637 D656 M657 I664 | C573-W660 HydrophobicContact CB-CE3 4.38Å; C573-W660 HydrophobicContact CB-CH2 4.49Å; C573-W660 HydrophobicContact CB-CZ3 4.22Å; C573-W660 WeakPolarHBondContact O-CH2 3.49Å; L577-W660 HydrophobicContact CD1-CD2 3.78Å; L577-W660 HydrophobicContact CD1-CE3 4.22Å; L577-W660 HydrophobicContact CD1-CG 4.09Å; L577-W660 HydrophobicContact CD1-CZ2 4.12Å; L577-W660 HydrophobicContact CD2-CG 4.37Å; L577-W660 HydrophobicContact CG-CD2 4.46Å; L577-W660 HydrophobicContact CG-CZ2 4.31Å; F596-W660 HydrophobicContact CB-CH2 3.61Å; F596-W660 HydrophobicContact CB-CZ2 3.97Å; F596-W660 HydrophobicContact CB-CZ3 4.37Å; L598-W660 HydrophobicContact CB-CZ3 3.94Å; L603-W660 HydrophobicContact CD1-CE3 4.44Å; L603-W660 HydrophobicContact CD1-CH2 4.19Å; L603-W660 HydrophobicContact CD1-CZ3 3.57Å; F637-W660 HydrophobicContact CE1-CB 4.3Å; F637-W660 HydrophobicContact CZ-CB 4.07Å; D656-W660 WeakPolarHBondContact O-CB 3.31Å; D656-W660 PolarHBondContact O-N 2.74Å; M657-W660 PolarHBondContact O-N 3.19Å; W660-I664 HydrophobicContact CE3-CD1 4.35Å; W660-I664 WeakPolarHBondContact O-CB 3.43Å; W660-I664 WeakPolarHBondContact O-CD1 3.49Å; W660-I664 WeakPolarHBondContact O-CG1 3.44Å; W660-I664 PolarHBondContact O-N 2.88Å |
| 661 | L | 88.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 176.6 | -74.2 | 171.2 | 0 | 0 | 0 | 112 | I625 R627 F637 M657 N658 I664 N665 | I625-L661 HydrophobicContact CG2-CD2 3.56Å; R627-L661 HydrophobicContact CG-CD1 3.79Å; F637-L661 HydrophobicContact CB-CD2 3.92Å; F637-L661 HydrophobicContact CB-CG 4.45Å; F637-L661 HydrophobicContact CD2-CD2 4.1Å; F637-L661 HydrophobicContact CG-CD2 4.17Å; M657-L661 HydrophobicContact CE-CD1 4.03Å; M657-L661 HydrophobicContact CG-CD1 4.04Å; M657-L661 WeakPolarHBondContact O-CB 3.41Å; M657-L661 WeakPolarHBondContact O-CG 3.29Å; M657-L661 PolarHBondContact O-N 3.44Å; M657-L661 HydrophobicContact SD-CD1 4.43Å; N658-L661 PolarHBondContact O-N 2.89Å; L661-I664 PolarHBondContact O-N 2.71Å; L661-N665 WeakPolarHBondContact O-CB 3.32Å; L661-N665 VanDerWaalsContact O-CG 3.22Å; L661-N665 PolarHBondContact O-N 3.25Å; L661-N665 PolarHBondContact O-ND2 2.93Å |
| 662 | N | 88.2 | Confident | 82.1 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | -177.7 | -68.6 | -7 | 0 | 0 | 0 | 111.5 | N658 N665 M666 | N658-N662 VanDerWaalsContact O-CB 3.28Å; N658-N662 WeakPolarHBondContact O-CB 3.21Å; N658-N662 PolarHBondContact O-N 2.73Å; N658-N662 PolarHBondContact O-ND2 2.74Å; N658-N662 PolarHBondContact O-OD1 3.3Å; N662-N665 PolarHBondContact O-N 2.88Å; N662-M666 VanDerWaalsContact O-CB 3.28Å; N662-M666 WeakPolarHBondContact O-CB 3.32Å; N662-M666 PolarHBondContact O-N 2.76Å |
| 663 | R | 86.6 | Confident | 80.6 | Confident | 113 Ų | 113 | 66 Ų | 66 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.9 | -76.4 | -76.4 | 173 | 154.4 | -14.4 | 112.5 | D572 C573 L598 R659 L667 | D572-R663 WeakPolarHBondContact O-CD 3.42Å; D572-R663 PolarHBondContact O-NH1 2.83Å; C573-R663 HydrophobicContact CB-CB 3.94Å; C573-R663 HydrophobicContact CB-CG 4.03Å; L598-R663 HydrophobicContact CD2-CB 4.15Å; R659-R663 VanDerWaalsContact O-CB 3.29Å; R659-R663 WeakPolarHBondContact O-CB 3.48Å; R659-R663 VanDerWaalsContact O-CG 3.29Å; R659-R663 WeakPolarHBondContact O-CG 3.43Å; R659-R663 PolarHBondContact O-N 3.38Å; R663-L667 WeakPolarHBondContact O-CG 3.46Å; R663-L667 PolarHBondContact O-N 3.23Å |
| 664 | I | 88.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -52.1 | 175.6 | -69.9 | 168.2 | 0 | 0 | 0 | 110.8 | L598 L620 I625 F637 W660 L661 M666 L667 T668 | L598-I664 HydrophobicContact CD1-CG1 4.21Å; L598-I664 HydrophobicContact CD2-CB 4.49Å; L598-I664 HydrophobicContact CD2-CG1 3.63Å; L620-I664 HydrophobicContact CD1-CB 4.33Å; L620-I664 HydrophobicContact CD1-CD1 4.15Å; L620-I664 HydrophobicContact CD1-CG1 3.9Å; L620-I664 HydrophobicContact CD1-CG2 3.55Å; I625-I664 HydrophobicContact CD1-CG2 4.11Å; I625-I664 HydrophobicContact CG1-CG2 3.69Å; F637-I664 HydrophobicContact CE2-CD1 4.14Å; W660-I664 HydrophobicContact CE3-CD1 4.35Å; W660-I664 WeakPolarHBondContact O-CB 3.43Å; W660-I664 WeakPolarHBondContact O-CD1 3.49Å; W660-I664 WeakPolarHBondContact O-CG1 3.44Å; W660-I664 PolarHBondContact O-N 2.88Å; L661-I664 PolarHBondContact O-N 2.71Å; I664-M666 VanDerWaalsContact C-N 3.28Å; I664-M666 PolarHBondContact O-N 3.27Å; I664-L667 PolarHBondContact O-N 3.06Å; I664-L667 VanDerWaalsContact O-N 3.12Å; I664-T668 PolarHBondContact O-N 3.02Å; I664-T668 PolarHBondContact O-OG1 3.14Å |
| 665 | N | 85.3 | Confident | 77.6 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | -175.7 | -71.7 | -14.4 | 0 | 0 | 0 | 112 | L661 N662 A669 | L661-N665 WeakPolarHBondContact O-CB 3.32Å; L661-N665 VanDerWaalsContact O-CG 3.22Å; L661-N665 PolarHBondContact O-N 3.25Å; L661-N665 PolarHBondContact O-ND2 2.93Å; N662-N665 PolarHBondContact O-N 2.88Å; N665-A669 WeakPolarHBondContact O-CB 3.33Å; N665-A669 PolarHBondContact O-N 3.2Å |
| 666 | M | 82 | Confident | 76 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 173.4 | -175.8 | -169.4 | 76.8 | 0 | 0 | 112.3 | N662 I664 G670 | N662-M666 VanDerWaalsContact O-CB 3.28Å; N662-M666 WeakPolarHBondContact O-CB 3.32Å; N662-M666 PolarHBondContact O-N 2.76Å; I664-M666 VanDerWaalsContact C-N 3.28Å; I664-M666 PolarHBondContact O-N 3.27Å; M666-G670 PolarHBondContact O-N 2.68Å |
| 667 | L | 77.9 | Confident | 74.5 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.8 | -38.1 | -179.7 | -65.2 | 170.4 | 0 | 0 | 0 | 112.4 | D572 L598 A601 R663 I664 G670 Y671 | D572-L667 HydrophobicContact CB-CD1 3.64Å; L598-L667 HydrophobicContact CD1-CD1 4.21Å; L598-L667 HydrophobicContact CD2-CD1 3.66Å; L598-L667 HydrophobicContact CG-CD1 3.69Å; A601-L667 HydrophobicContact CB-CB 4.28Å; R663-L667 WeakPolarHBondContact O-CG 3.46Å; R663-L667 PolarHBondContact O-N 3.23Å; I664-L667 PolarHBondContact O-N 3.06Å; I664-L667 VanDerWaalsContact O-N 3.12Å; L667-G670 PolarHBondContact O-N 2.99Å; L667-Y671 WeakPolarHBondContact O-CB 3.36Å; L667-Y671 PolarHBondContact O-N 3.17Å |
| 668 | T | 74.3 | Confident | 72.6 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63 | -42 | 174.7 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | I664 Y671 A672 | I664-T668 PolarHBondContact O-N 3.02Å; I664-T668 PolarHBondContact O-OG1 3.14Å; T668-Y671 PolarHBondContact O-N 3.47Å; T668-A672 PolarHBondContact O-N 3.41Å |
| 669 | A | 71.2 | Confident | 70.4 | Confident | 65 Ų | 65 | 86.1 Ų | 86.1 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N665 Y671 A672 E673 | N665-A669 WeakPolarHBondContact O-CB 3.33Å; N665-A669 PolarHBondContact O-N 3.2Å; A669-Y671 PolarHBondContact O-N 3.29Å; A669-A672 PolarHBondContact O-N 3.18Å; A669-E673 PolarHBondContact O-N 3.01Å |
| 670 | G | 63 | Low | 67.9 | Low | 42 Ų | 42 | 86.4 Ų | 86.4 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -28.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M666 L667 R674 | M666-G670 PolarHBondContact O-N 2.68Å; L667-G670 PolarHBondContact O-N 2.99Å; G670-R674 WeakPolarHBondContact O-CB 3.4Å; G670-R674 PolarHBondContact O-N 2.8Å; G670-R674 VanDerWaalsContact O-N 3.1Å |
| 671 | Y | 61.7 | Low | 65.5 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.4 | -39.6 | 175.7 | -154.7 | -75 | 0 | 0 | 0 | 112 | A601 P621 L667 T668 A669 E673 R674 E675 | A601-Y671 HydrophobicContact CB-CD2 3.87Å; A601-Y671 HydrophobicContact CB-CG 4.45Å; P621-Y671 HydrophobicContact CB-CD1 4.14Å; P621-Y671 HydrophobicContact CB-CG 4.41Å; P621-Y671 HydrophobicContact CG-CD1 3.84Å; P621-Y671 HydrophobicContact CG-CD2 4.11Å; P621-Y671 HydrophobicContact CG-CE1 4.27Å; P621-Y671 HydrophobicContact CG-CE2 4.5Å; P621-Y671 HydrophobicContact CG-CG 3.77Å; L667-Y671 WeakPolarHBondContact O-CB 3.36Å; L667-Y671 PolarHBondContact O-N 3.17Å; T668-Y671 PolarHBondContact O-N 3.47Å; A669-Y671 PolarHBondContact O-N 3.29Å; Y671-E673 VanDerWaalsContact C-N 3.34Å; Y671-E673 PolarHBondContact O-N 2.86Å; Y671-R674 PolarHBondContact O-N 3.12Å; Y671-E675 HydrophobicContact CD1-CG 3.76Å; Y671-E675 HydrophobicContact CE1-CG 3.64Å; Y671-E675 WeakPolarHBondContact O-CG 3.38Å; Y671-E675 PolarHBondContact O-N 3.26Å |
| 672 | A | 58.1 | Low | 62.9 | Low | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T668 A669 R676 | T668-A672 PolarHBondContact O-N 3.41Å; A669-A672 PolarHBondContact O-N 3.18Å; A672-R676 PolarHBondContact O-N 2.8Å |
| 673 | E | 56.5 | Low | 60.3 | Low | 99 Ų | 99 | 102.8 Ų | 102.8 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 175.7 | -159.7 | 62.1 | -167.1 | 0 | 0 | 111.9 | A669 Y671 R676 I677 | A669-E673 PolarHBondContact O-N 3.01Å; Y671-E673 VanDerWaalsContact C-N 3.34Å; Y671-E673 PolarHBondContact O-N 2.86Å; E673-R676 WeakPolarHBondContact O-CB 3.27Å; E673-R676 PolarHBondContact O-N 3.4Å; E673-R676 IonicContact OE2-NH1 2.8Å; E673-I677 HydrophobicContact CG-CD1 4.3Å; E673-I677 WeakPolarHBondContact O-CG1 3.48Å; E673-I677 PolarHBondContact O-N 2.78Å |
| 674 | R | 57.1 | Low | 57.7 | Low | 188 Ų | 188 | 106 Ų | 106 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.3 | -32.1 | 176.5 | -156.4 | 175.3 | -156.9 | 163.8 | 8.1 | 113.3 | G670 Y671 K678 | G670-R674 WeakPolarHBondContact O-CB 3.4Å; G670-R674 PolarHBondContact O-N 2.8Å; G670-R674 VanDerWaalsContact O-N 3.1Å; Y671-R674 PolarHBondContact O-N 3.12Å; R674-K678 VanDerWaalsContact O-CB 3.3Å; R674-K678 WeakPolarHBondContact O-CB 3.28Å; R674-K678 PolarHBondContact O-N 2.8Å |
| 675 | E | 54.8 | Low | 55 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 168.5 | -75.3 | -95.2 | 114.5 | 0 | 0 | 110.8 | Y671 K678 Q679 | Y671-E675 HydrophobicContact CD1-CG 3.76Å; Y671-E675 HydrophobicContact CE1-CG 3.64Å; Y671-E675 WeakPolarHBondContact O-CG 3.38Å; Y671-E675 PolarHBondContact O-N 3.26Å; E675-K678 PolarHBondContact O-N 3.31Å; E675-Q679 VanDerWaalsContact O-CB 3.26Å; E675-Q679 WeakPolarHBondContact O-CB 3.45Å; E675-Q679 PolarHBondContact O-N 3.01Å |
| 676 | R | 53.6 | Low | 52.1 | Low | 166 Ų | 166 | 115 Ų | 115 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57 | -56.7 | 174.4 | -84.4 | 179.3 | 159.9 | -162.3 | -8.2 | 112.7 | A672 E673 K678 Q679 E680 | A672-R676 PolarHBondContact O-N 2.8Å; E673-R676 WeakPolarHBondContact O-CB 3.27Å; E673-R676 PolarHBondContact O-N 3.4Å; E673-R676 IonicContact OE2-NH1 2.8Å; R676-K678 PolarHBondContact O-N 3.02Å; R676-Q679 PolarHBondContact O-N 3.44Å; R676-Q679 VanDerWaalsContact O-N 3.08Å; R676-E680 VanDerWaalsContact O-CB 3.31Å; R676-E680 WeakPolarHBondContact O-CB 3.29Å; R676-E680 PolarHBondContact O-N 3.39Å |
| 677 | I | 56.7 | Low | 49.8 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.6 | -37.7 | -179.2 | -68.1 | 162.5 | 0 | 0 | 0 | 110.9 | E673 Q681 | E673-I677 HydrophobicContact CG-CD1 4.3Å; E673-I677 WeakPolarHBondContact O-CG1 3.48Å; E673-I677 PolarHBondContact O-N 2.78Å; I677-Q681 WeakPolarHBondContact O-CB 3.34Å; I677-Q681 PolarHBondContact O-N 2.98Å; I677-Q681 VanDerWaalsContact O-N 3.07Å |
| 678 | K | 49.4 | Very low | 47.7 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 55% | 0.548 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.9 | -42.5 | 178.4 | -165.8 | -179 | 178.6 | -163.5 | 0 | 112.5 | R674 E675 R676 E680 Q681 D682 | R674-K678 VanDerWaalsContact O-CB 3.3Å; R674-K678 WeakPolarHBondContact O-CB 3.28Å; R674-K678 PolarHBondContact O-N 2.8Å; E675-K678 PolarHBondContact O-N 3.31Å; R676-K678 PolarHBondContact O-N 3.02Å; K678-E680 VanDerWaalsContact C-N 3.3Å; K678-E680 PolarHBondContact O-N 3.42Å; K678-Q681 PolarHBondContact O-N 3.48Å; K678-D682 WeakPolarHBondContact O-CB 3.39Å; K678-D682 PolarHBondContact O-N 3.16Å |
| 679 | Q | 42.8 | Very low | 45.9 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.6 | -34.8 | 176.1 | -174.8 | 173.7 | 17.9 | 0 | 0 | 112 | E675 R676 D682 Y683 | E675-Q679 VanDerWaalsContact O-CB 3.26Å; E675-Q679 WeakPolarHBondContact O-CB 3.45Å; E675-Q679 PolarHBondContact O-N 3.01Å; R676-Q679 PolarHBondContact O-N 3.44Å; R676-Q679 VanDerWaalsContact O-N 3.08Å; Q679-D682 PolarHBondContact O-N 2.89Å; Q679-Y683 WeakPolarHBondContact O-CB 3.29Å; Q679-Y683 PolarHBondContact O-N 2.87Å; Q679-Y683 VanDerWaalsContact O-N 3.13Å |
| 680 | E | 39.9 | Very low | 44.2 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.6 | -41.4 | 175 | -170.3 | 165.7 | -121.7 | 0 | 0 | 111.3 | R676 K678 D682 Y683 | R676-E680 VanDerWaalsContact O-CB 3.31Å; R676-E680 WeakPolarHBondContact O-CB 3.29Å; R676-E680 PolarHBondContact O-N 3.39Å; K678-E680 VanDerWaalsContact C-N 3.3Å; K678-E680 PolarHBondContact O-N 3.42Å; E680-D682 VanDerWaalsContact C-N 3.35Å; E680-Y683 PolarHBondContact O-N 3Å; E680-Y683 VanDerWaalsContact O-N 3.16Å |
| 681 | Q | 39 | Very low | 42.9 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.8 | -28 | 173.4 | -171.7 | 156.1 | 72.1 | 0 | 0 | 113.4 | I677 K678 Y683 | I677-Q681 WeakPolarHBondContact O-CB 3.34Å; I677-Q681 PolarHBondContact O-N 2.98Å; I677-Q681 VanDerWaalsContact O-N 3.07Å; K678-Q681 PolarHBondContact O-N 3.48Å; Q681-Y683 VanDerWaalsContact C-N 3.34Å |
| 682 | D | 34.2 | Very low | 41.5 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -5.3 | 171.1 | -73.4 | -32 | 0 | 0 | 0 | 112.9 | K678 Q679 E680 | K678-D682 WeakPolarHBondContact O-CB 3.39Å; K678-D682 PolarHBondContact O-N 3.16Å; Q679-D682 PolarHBondContact O-N 2.89Å; E680-D682 VanDerWaalsContact C-N 3.35Å |
| 683 | Y | 34 | Very low | 40.3 | Very low | 190 Ų | 190 | 143 Ų | 143 | 75% | 0.745 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -17.2 | -177.8 | -160 | -112 | 0 | 0 | 0 | 114.5 | Q679 E680 Q681 | Q679-Y683 WeakPolarHBondContact O-CB 3.29Å; Q679-Y683 PolarHBondContact O-N 2.87Å; Q679-Y683 VanDerWaalsContact O-N 3.13Å; E680-Y683 PolarHBondContact O-N 3Å; E680-Y683 VanDerWaalsContact O-N 3.16Å; Q681-Y683 VanDerWaalsContact C-N 3.34Å |
| 684 | W | 31.2 | Very low | 38.9 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -126.2 | 92.5 | 175.5 | -89.5 | 82.5 | 0 | 0 | 0 | 112.1 | E686 | W684-E686 HydrophobicContact CE3-CB 4.07Å; W684-E686 HydrophobicContact CZ3-CB 4.14Å; W684-E686 HydrophobicContact CZ3-CG 4.39Å | ||
| 685 | S | 31.9 | Very low | 38.2 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | trans | -116.9 | 84.5 | 155.7 | -75.4 | 0 | 0 | 0 | 0 | 108.5 | S687 | S685-S687 PolarHBondContact O-N 2.96Š| ||
| 686 | E | 25.7 | Very low | 36.9 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -72.6 | 114.5 | 174 | -171.3 | 169.6 | -130.5 | 0 | 0 | 109 | W684 | W684-E686 HydrophobicContact CE3-CB 4.07Å; W684-E686 HydrophobicContact CZ3-CB 4.14Å; W684-E686 HydrophobicContact CZ3-CG 4.39Å | ||
| 687 | S | 32.9 | Very low | 35.7 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -162 | 75.7 | -175.1 | -78.2 | 0 | 0 | 0 | 0 | 113.1 | S685 | S685-S687 PolarHBondContact O-N 2.96Š| ||
| 688 | D | 33.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -156.9 | 144.6 | 157.8 | -93.8 | -32.6 | 0 | 0 | 0 | 108.5 | ||||
| 689 | K | 37.3 | Very low | 34.4 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | cis | -169.4 | -169.2 | -25.8 | -126.5 | -171.5 | -156.1 | 82.4 | 0 | 106.5 | ||||
| 690 | E | 34.5 | Very low | 33.9 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | 81.6 | 145 | 173.6 | -57.9 | -179.6 | -172.1 | 0 | 0 | 117.4 | ||||
| 691 | E | 35.5 | Very low | 33.2 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | cis | -158.7 | -177.3 | -42.1 | -134.7 | -174.4 | -150.9 | 0 | 0 | 110.2 | ||||
| 692 | A | 33.5 | Very low | 32.7 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | 71 | 129.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 693 | D | 32.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | 62.1 | 123.3 | 143.8 | -60.3 | -23.7 | 0 | 0 | 0 | 124.2 | ||||
| 694 | T | 25.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | -93.9 | 171.5 | 166.5 | 65 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 695 | P | 44 | Very low | 35.6 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -135.1 | -174.3 | -9 | 29 | -6.3 | 0 | 0 | 0 | 114.4 | ||||
| 696 | S | 26.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | 126.4 | 83.8 | 125.4 | 73.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 697 | T | 29.1 | Very low | 37 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | 73.9 | 179 | 140.3 | 82.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 698 | P | 51 | Low | 37.1 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | -131.6 | -168.8 | -120.3 | 31 | -4.9 | 0 | 0 | 0 | 115.3 | |||||
| 699 | K | 28.3 | Very low | 36.9 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | 83.8 | 157.5 | -179.3 | -58.5 | 179.8 | 179.9 | -177.3 | 0 | 114.2 | ||||
| 700 | Q | 31.4 | Very low | 36.6 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | cis | -173.1 | 169.5 | -28.4 | -166.6 | 180 | -53.7 | 0 | 0 | 106.1 | ||||
| 701 | D | 25.9 | Very low | 37.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | trans | 68.1 | 103.7 | 160.9 | -63.2 | -53.4 | 0 | 0 | 0 | 121.3 | ||||
| 702 | S | 27.6 | Very low | 37.3 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | 68.7 | 157.3 | 114.7 | -55 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 703 | P | 50 | Low | 38.5 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -124.9 | -162.6 | -165.8 | 45.6 | -30 | 0 | 0 | 0 | 113.8 | ||||
| 704 | P | 53.6 | Low | 39.2 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -120 | -93.9 | -27.4 | 16.6 | 7.8 | 0 | 0 | 0 | 117.5 | ||||
| 705 | P | 56.9 | Low | 39.5 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -129 | -153.9 | -140.6 | 46.3 | -25.4 | 0 | 0 | 0 | 113.2 | ||||
| 706 | P | 58.8 | Low | 39 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -130.8 | -169.9 | -12.9 | 43.9 | -27.2 | 0 | 0 | 0 | 114.3 | ||||
| 707 | Y | 29.4 | Very low | 39 | Very low | 213 Ų | 213 | 138 Ų | 138 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 163.9 | 128.1 | 143.8 | -96.7 | -71.4 | 0 | 0 | 0 | 108.5 | ||||
| 708 | D | 33.3 | Very low | 38.9 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | cis | 90.7 | 117.6 | 16.8 | -160 | 18 | 0 | 0 | 0 | 116.4 | ||||
| 709 | T | 29.5 | Very low | 37.8 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -180 | 127.3 | 155.2 | -75.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 710 | Y | 32.5 | Very low | 37.7 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -104.2 | 169 | 172.8 | -107.6 | -83.8 | 0 | 0 | 0 | 112.1 | ||||
| 711 | P | 50.3 | Low | 38 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | -138.7 | -176.8 | 121 | 32.6 | -16.6 | 0 | 0 | 0 | 115.6 | |||||
| 712 | R | 34.3 | Very low | 38.1 | Very low | 244 Ų | 244 | 135.8 Ų | 135.8 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -94.6 | 166.8 | -157.2 | -87.2 | -172.4 | 179.5 | -166.6 | 1.8 | 117.4 | ||||
| 713 | P | 57.8 | Low | 38.3 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -95.9 | -168.7 | 179.3 | 43.6 | -39.3 | 0 | 0 | 0 | 112.7 | ||||
| 714 | P | 47.6 | Very low | 37.9 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | -154.4 | 168.6 | 83.7 | 44.6 | -26 | 0 | 0 | 0 | 118.5 | |||||
| 715 | S | 32.8 | Very low | 36.6 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 21.1 | 153.3 | 145 | 61.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 716 | M | 33 | Very low | 35.5 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | cis | -169.3 | 177.6 | -7.2 | -90.9 | -104.3 | 91.2 | 0 | 0 | 105 | ||||
| 717 | S | 26.8 | Very low | 34 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | cis | -165.8 | 165.2 | 25.6 | -161.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 718 | C | 27.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | 37 | 139.1 | 152.5 | 67.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 719 | A | 26.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | cis | -153.6 | 178.8 | 12.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 720 | S | 27.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -62.8 | 166 | 167.9 | -130 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 721 | P | 36.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | cis | -137.9 | 178.3 | 12.5 | 42.8 | -25.5 | 0 | 0 | 0 | 117.6 | ||||
| 722 | Y | 27.2 | Very low | 32.4 | Very low | 219 Ų | 219 | 145.1 Ų | 145.1 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | 69.4 | 99.1 | 155.1 | -151.6 | -84.9 | 0 | 0 | 0 | 117.8 | ||||
| 723 | V | 32.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 139 Ų | 139 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -136.7 | 149.2 | 168.8 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 724 | E | 41.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | -119.5 | 137.5 | -168.4 | 171.8 | -171.7 | -163 | 0 | 0 | 110.9 | ||||
| 725 | A | 27.7 | Very low | 30.1 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -152.5 | 142.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 726 | K | 33.3 | Very low | 29.8 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -83 | 151 | -170.1 | -58.8 | 156.1 | -176.6 | 169.9 | 0 | 112.4 | ||||
| 727 | H | 27.6 | Very low | 29.6 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | -162.4 | 146.8 | 123.1 | -99.5 | -74.3 | 0 | 0 | 0 | 110.1 | |||||
| 728 | S | 25.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -82.7 | 118.9 | -177.6 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 729 | R | 32.8 | Very low | 29.6 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | 67.4 | 87.5 | 75.4 | -73.7 | -166.2 | -179.9 | -131.6 | 4.1 | 115.2 | |||||
| 730 | L | 28.5 | Very low | 29.5 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | -132.8 | 156 | 124.7 | -72.3 | -178.3 | 0 | 0 | 0 | 107.1 | |||||
| 731 | S | 26.1 | Very low | 29.6 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -147.8 | 145.4 | -163.7 | -163.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 732 | S | 27.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -135.9 | 131.9 | -175.5 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 733 | T | 29.6 | Very low | 29.1 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 72.6 | 119 | 133.2 | -49 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 734 | E | 30.5 | Very low | 29 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 64.9 | 147.9 | 148.2 | -67.1 | 171.6 | 164.2 | 0 | 0 | 120.3 | ||||
| 735 | T | 30.3 | Very low | 28.2 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | -164.4 | 160.1 | 57.4 | 43.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 736 | S | 28.1 | Very low | 28.2 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 125.3 | 143.9 | -62.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 737 | Q | 27.4 | Very low | 27.8 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | 33 | 150.8 | 122.6 | -56.2 | -175.9 | 21.8 | 0 | 0 | 121.9 | |||||
| 738 | S | 26.7 | Very low | 27.7 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | cis | -177 | 173.6 | -11.8 | -90.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 739 | Q | 27 | Very low | 27.8 | Very low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 72.4 | 159.9 | 170.4 | -56.5 | -176.7 | 6.4 | 0 | 0 | 118 | ||||
| 740 | S | 25 | Very low | 27.6 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | -164 | 158 | -36.3 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 741 | S | 30.3 | Very low | 27.5 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 38.1 | 120.3 | 143.7 | 63.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 742 | H | 26.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | 66.3 | 116.3 | 120.4 | -165.8 | -81.5 | 0 | 0 | 0 | 122.1 | |||||
| 743 | E | 27.2 | Very low | 27.6 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | -161.8 | 171.6 | 122.3 | -121 | -176.7 | -171.1 | 0 | 0 | 115 | |||||
| 744 | E | 29.1 | Very low | 27.5 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -84 | 174.5 | -173.4 | -59.4 | 177.1 | 68.6 | 0 | 0 | 114.4 | ||||
| 745 | F | 25.1 | Very low | 27.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | 164.3 | 111.4 | 100.4 | -153.8 | -117.8 | 0 | 0 | 0 | 115.3 | |||||
| 746 | R | 27.6 | Very low | 27.3 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 61.3 | 167.8 | 156.4 | -61.5 | -168.7 | 178.5 | 165.3 | 1.8 | 118 | ||||
| 747 | Q | 25.6 | Very low | 28 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | cis | -144.2 | 163.4 | 9.7 | -160.1 | 160.9 | -27.5 | 0 | 0 | 113 | ||||
| 748 | E | 25.4 | Very low | 28 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -80.1 | 163.4 | -179.4 | -49.8 | 172.8 | 107.3 | 0 | 0 | 114.9 | ||||
| 749 | V | 28.1 | Very low | 28.1 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | -159.8 | 120.7 | 126 | 166.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 750 | T | 27.5 | Very low | 28.2 | Very low | 139 Ų | 139 | 142 Ų | 142 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 8.8 | 144.6 | 141.8 | -36.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 751 | G | 26.9 | Very low | 28.3 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -176.3 | 13 | 170 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 752 | S | 29.3 | Very low | 28.2 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 32.8 | 132.7 | 160.2 | -144.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 753 | S | 26.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 74.1 | 105.9 | 136.3 | -63 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 754 | A | 27.7 | Very low | 28.6 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | 92.9 | 153.2 | 113.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 755 | V | 28.7 | Very low | 28.7 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | trans | 82.2 | 134.5 | 164 | -166.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 756 | S | 27.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -97.9 | -169.4 | -179.6 | -17.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 757 | P | 42.3 | Very low | 30.1 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | cis | -130 | -174.2 | -19.3 | 37.2 | -19.4 | 0 | 0 | 0 | 112.4 | ||||
| 758 | I | 28.1 | Very low | 30.6 | Very low | 172 Ų | 172 | 144 Ų | 144 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | 170.3 | 178.6 | 136 | -89.1 | 160.3 | 0 | 0 | 0 | 111.7 | ||||
| 759 | R | 29.9 | Very low | 31.3 | Very low | 220 Ų | 220 | 142.7 Ų | 142.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -104.3 | 149.5 | -152.4 | -61.6 | 170.5 | 173.3 | 163.4 | -3.4 | 115.7 | ||||
| 760 | K | 28.4 | Very low | 32.2 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | 79.7 | 146.2 | 139.7 | -85.5 | -179 | 177.4 | -172.3 | 0 | 121.7 | ||||
| 761 | T | 26.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | 65.9 | 120.5 | 155.2 | 41 | 0 | 0 | 0 | 0 | 119 | ||||
| 762 | A | 27.8 | Very low | 34 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | -97.2 | 136.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 763 | S | 29.5 | Very low | 34.5 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -164 | 109.6 | 158.4 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 764 | Q | 31.9 | Very low | 35.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -144.6 | 139.5 | 161 | -160 | 77.2 | 14 | 0 | 0 | 107.9 | ||||
| 765 | R | 32.7 | Very low | 35.4 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 155.3 | -161 | -68.7 | 166.7 | 159.9 | -98.5 | 1.6 | 115.2 | ||
| 766 | R | 34.3 | Very low | 35.7 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 167.5 | 153.4 | -78.4 | -161.6 | 174.2 | -165.5 | -4.1 | 111.8 | D770 | R766-D770 WeakPolarHBondContact CD-OD2 3.42Å; R766-D770 IonicContact CZ-OD2 3.06Å; R766-D770 IonicContact NE-OD2 3.15Å; R766-D770 IonicContact NH1-OD1 3.7Å; R766-D770 IonicContact NH1-OD2 2.7Å; R766-D770 PolarHBondContact NH1-OD2 3.42Å |
| 767 | S | 46.6 | Very low | 36.1 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 164.4 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 113.6 | Q769 | S767-Q769 VanDerWaalsContact C-N 3.25Å; S767-Q769 PolarHBondContact O-N 3.2Å |
| 768 | W | 36 | Very low | 35.5 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -65.8 | -15.4 | -174.6 | -76.6 | 98 | 0 | 0 | 0 | 115.6 | D770 L771 | W768-D770 PolarHBondContact O-N 2.81Å; W768-L771 HydrophobicContact CE3-CD1 3.79Å; W768-L771 HydrophobicContact CZ3-CD1 4.04Å; W768-L771 PolarHBondContact O-N 3.18Å |
| 769 | Q | 39.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -68.3 | -33.3 | -179.2 | -150.8 | 70 | 26.3 | 0 | 0 | 112.8 | S767 L771 | S767-Q769 VanDerWaalsContact C-N 3.25Å; S767-Q769 PolarHBondContact O-N 3.2Å; Q769-L771 PolarHBondContact O-N 3.27Å; Q769-L771 VanDerWaalsContact O-N 3.12Å |
| 770 | D | 48.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 47% | 0.465 | 76% | 0.759 | S | S | . | * | G | 310 helix | trans | -67.4 | -8.4 | 178.8 | -86.4 | 9.6 | 0 | 0 | 0 | 113.7 | R766 W768 | R766-D770 WeakPolarHBondContact CD-OD2 3.42Å; R766-D770 IonicContact CZ-OD2 3.06Å; R766-D770 IonicContact NE-OD2 3.15Å; R766-D770 IonicContact NH1-OD1 3.7Å; R766-D770 IonicContact NH1-OD2 2.7Å; R766-D770 PolarHBondContact NH1-OD2 3.42Å; W768-D770 PolarHBondContact O-N 2.81Å |
| 771 | L | 47.6 | Very low | 35.9 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 57% | 0.565 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -94.1 | -3.5 | -169.9 | -100.9 | 162.6 | 0 | 0 | 0 | 115 | W768 Q769 | W768-L771 HydrophobicContact CE3-CD1 3.79Å; W768-L771 HydrophobicContact CZ3-CD1 4.04Å; W768-L771 PolarHBondContact O-N 3.18Å; Q769-L771 PolarHBondContact O-N 3.27Å; Q769-L771 VanDerWaalsContact O-N 3.12Å |
| 772 | I | 43.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -111.9 | -26.5 | -169.9 | -56 | -179.2 | 0 | 0 | 0 | 112.9 | ||
| 773 | E | 41.1 | Very low | 36.3 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -98.5 | 5 | -174.7 | -61.9 | -170.6 | 161.7 | 0 | 0 | 114.8 | ||
| 774 | T | 39.1 | Very low | 36.2 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 59% | 0.589 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -108.9 | 115.5 | -179.5 | -39.5 | 0 | 0 | 0 | 0 | 111.6 | L776 | T774-L776 PolarHBondContact O-N 3.35Å; T774-L776 VanDerWaalsContact O-N 3.15Å |
| 775 | P | 33.6 | Very low | 36 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -74.5 | 106 | 178.9 | 29 | -33.5 | 0 | 0 | 0 | 111.3 | ||||
| 776 | L | 35.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -81.5 | 126.8 | 174.1 | -79.2 | 173 | 0 | 0 | 0 | 111.9 | T774 | T774-L776 PolarHBondContact O-N 3.35Å; T774-L776 VanDerWaalsContact O-N 3.15Å | ||
| 777 | T | 33.9 | Very low | 35.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -62.7 | 134.6 | 172.7 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | S779 | T777-S779 PolarHBondContact O-N 2.91Š| ||
| 778 | S | 30.5 | Very low | 35.5 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -79.7 | 112.4 | -174.2 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 779 | S | 31 | Very low | 35.2 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -154.6 | 98 | 154.8 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | T777 | T777-S779 PolarHBondContact O-N 2.91Š| ||
| 780 | G | 30.3 | Very low | 34.7 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 113.7 | 128.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 781 | L | 33 | Very low | 33.8 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | cis | -132.2 | 167.7 | 8.8 | -80 | 168.6 | 0 | 0 | 0 | 113.4 | ||||
| 782 | H | 35.6 | Very low | 32.9 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -77.9 | 166.3 | -177.8 | -58.8 | -115 | 0 | 0 | 0 | 112.6 | ||||
| 783 | Y | 28.4 | Very low | 32.2 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | -169.6 | 169.9 | 115.8 | -104.6 | -68.6 | 0 | 0 | 0 | 112.1 | |||||
| 784 | L | 27.4 | Very low | 31.6 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 70.3 | 70.7 | 169.6 | -54.9 | -173.9 | 0 | 0 | 0 | 119.8 | ||||
| 785 | Q | 26.9 | Very low | 31.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | -6.1 | 123.1 | 122.7 | 174.3 | -171.5 | -3.6 | 0 | 0 | 118.3 | |||||
| 786 | T | 30.1 | Very low | 31 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -148.7 | 133.5 | 139.4 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 787 | L | 26.2 | Very low | 30.7 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -88.9 | -166.3 | 162.1 | -72.6 | 167.4 | 0 | 0 | 0 | 108.1 | ||||
| 788 | P | 48.2 | Very low | 30.5 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -143.4 | -167.8 | 5.1 | 25 | 3.9 | 0 | 0 | 0 | 116.5 | ||||
| 789 | L | 29.2 | Very low | 30.5 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | 81.4 | 146.3 | 158.1 | -60.1 | 123.4 | 0 | 0 | 0 | 121.2 | ||||
| 790 | E | 29.2 | Very low | 30.5 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -171.9 | 168.9 | -40.5 | -98.5 | -124.6 | 125.7 | 0 | 0 | 108.7 | ||||
| 791 | D | 28.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 64 | 155.2 | 159.5 | -87.7 | -12.2 | 0 | 0 | 0 | 120.8 | ||||
| 792 | S | 30.5 | Very low | 30.6 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | cis | 178.3 | -177.4 | -32.7 | -105.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 793 | V | 27.9 | Very low | 30.7 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | trans | 104.9 | 94.4 | 158.1 | 179.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 794 | F | 29.5 | Very low | 31.2 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | trans | 44.8 | 147.7 | 137.1 | -63.5 | -85.6 | 0 | 0 | 0 | 120.6 | ||||
| 795 | S | 30.4 | Very low | 31.5 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | cis | 176.6 | 167.8 | -17 | -109.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 796 | D | 28.1 | Very low | 32 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | cis | -158.9 | -169.3 | -3.2 | -131.9 | -106.8 | 0 | 0 | 0 | 106.7 | ||||
| 797 | S | 30.2 | Very low | 32.2 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | cis | -158.4 | -164.2 | 1.6 | -151.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 798 | A | 29.7 | Very low | 32.3 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | 46.1 | 103.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 799 | A | 31.3 | Very low | 31.6 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | 81.3 | 144.1 | 73.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 800 | I | 29.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 122.8 Ų | 122.8 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | cis | -134.2 | 169.9 | 18.7 | -81.6 | 93.8 | 0 | 0 | 0 | 112 | ||||
| 801 | S | 25 | Very low | 32.2 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | trans | -90.8 | 144.5 | -171.4 | -177.3 | 0 | 0 | 0 | 0 | 118.5 | T492 | T492-S801 WeakPolarHBondContact CG2-OG 3.46Š| ||
| 802 | P | 42.1 | Very low | 32.3 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | trans | -155.2 | 179.6 | 133.3 | 36.3 | -17.3 | 0 | 0 | 0 | 115.9 | ||||
| 803 | E | 36.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 54% | 0.542 | 70% | 0.695 | S | S | . | * | cis | -168 | 168.4 | -33.9 | -85.1 | -145 | 139.3 | 0 | 0 | 108.9 | D491 | D491-E803 HydrophobicContact CB-CB 4.1Å; D491-E803 HydrophobicContact CB-CG 3.77Å; D491-E803 VanDerWaalsContact CB-OE1 3.25Å; D491-E803 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 804 | H | 38.1 | Very low | 32 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 40% | 0.398 | 70% | 0.697 | S | S | . | * | trans | -157.6 | -154.7 | -179.4 | 87.4 | -40 | 0 | 0 | 0 | 117.2 | K490 D491 T492 | K490-H804 PolarHBondContact NZ-O 2.73Å; D491-H804 PolarHBondContact O-CE1 3.17Å; D491-H804 PolarHBondContact O-ND1 3.41Å; D491-H804 WeakPolarHBondContact OD1-CA 3.38Å; D491-H804 IonicContact OD1-CE1 2.69Å; D491-H804 IonicContact OD1-CG 2.65Å; D491-H804 PolarHBondContact OD1-N 3.15Å; D491-H804 IonicContact OD1-ND1 2.67Å; D491-H804 PolarHBondContact OD1-ND1 2.86Å; D491-H804 PolarHBondContact OD2-N 2.97Å; D491-H804 VanDerWaalsContact OD2-O 3.07Å; T492-H804 PolarHBondContact O-CE1 2.72Å; T492-H804 PolarHBondContact O-ND1 2.96Å | ||
| 805 | R | 34.3 | Very low | 31.6 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 43% | 0.426 | 70% | 0.695 | S | S | . | * | 164.2 | -125.2 | 129.9 | -146.7 | -158.7 | -171.7 | 75 | -28.8 | 116.9 | S488 K489 K490 | S488-R805 PolarHBondContact O-NH2 3Å; K489-R805 VanDerWaalsContact C-CZ 3.43Å; K489-R805 VanDerWaalsContact C-NH2 3.31Å; K489-R805 PolarHBondContact O-NH1 3.36Å; K489-R805 VanDerWaalsContact O-NH1 3.07Å; K489-R805 PolarHBondContact O-NH2 3.16Å; K490-R805 VanDerWaalsContact CA-NH1 3.26Å; K490-R805 HydrophobicContact CG-CB 3.86Å; K490-R805 HydrophobicContact CG-CG 4.4Å | |||
| 806 | R | 38 | Very low | 31.6 | Very low | 182 Ų | 182 | 127 Ų | 127 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | trans | -153.3 | 154.8 | -149.2 | -83 | 169.5 | 167.2 | -119.8 | 8.3 | 117.6 | ||||
| 807 | Q | 34 | Very low | 31.5 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | 70.7 | 160.2 | 145.9 | -78.9 | 166.4 | -111.4 | 0 | 0 | 118.9 | ||||
| 808 | S | 29 | Very low | 31.3 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | cis | -156.8 | -174.8 | 1.2 | 24.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 809 | T | 32 | Very low | 31.2 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -97 | 150.2 | -171.3 | 48.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 810 | L | 36.2 | Very low | 31.1 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | trans | 41.5 | 141.1 | 146.5 | -60.3 | 179.1 | 0 | 0 | 0 | 122 | ||||
| 811 | P | 35.5 | Very low | 30.9 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | -148.4 | -171.3 | 97.3 | 40.8 | -23.6 | 0 | 0 | 0 | 116.2 | |||||
| 812 | T | 29.6 | Very low | 31.3 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | -107.1 | 145.8 | -166.3 | -42.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 813 | Q | 26.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 71% | 0.707 | S | S | * | * | trans | -174.1 | 137.7 | 138.3 | -109 | -179 | 108.4 | 0 | 0 | 117.2 | ||||
| 814 | K | 25.3 | Very low | 31 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | 48.3 | 139.1 | 142.2 | -70.4 | 172 | -174.3 | 154.8 | 0 | 125 | ||||
| 815 | C | 22.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 67.1 | 102.1 | 144.8 | -75.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 816 | H | 29.6 | Very low | 31.4 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | 10 | 117.2 | 127.9 | -173.6 | 73.8 | 0 | 0 | 0 | 119.7 | |||||
| 817 | L | 25.1 | Very low | 31 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | trans | -160 | 174.3 | 143.7 | -113.3 | 169.1 | 0 | 0 | 0 | 109.3 | ||||
| 818 | Q | 26.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -136 | 143.6 | -154.7 | 179.4 | 167.7 | -9.1 | 0 | 0 | 115.6 | ||||
| 819 | D | 28.3 | Very low | 30.4 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | 62.6 | 131.3 | 156.6 | -64.3 | -13.3 | 0 | 0 | 0 | 125.9 | ||||
| 820 | H | 27.8 | Very low | 30 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | 52.2 | 162 | 146.7 | -54.2 | -46.4 | 0 | 0 | 0 | 120.6 | ||||
| 821 | Y | 26.9 | Very low | 29.8 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | cis | -136.5 | 180 | 13.7 | -75.6 | -95.1 | 0 | 0 | 0 | 110.3 | ||||
| 822 | G | 32.2 | Very low | 29.4 | Very low | 50 Ų | 50 | 143.6 Ų | 143.6 | 52% | 0.515 | 74% | 0.742 | S | S | . | * | cis | 121.3 | 90.2 | -0.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 823 | P | 44.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | trans | -94.5 | 107.2 | -171.7 | 34.2 | -32 | 0 | 0 | 0 | 116.4 | ||||
| 824 | Y | 28.6 | Very low | 29.3 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 12.9 | 152.7 | 135.9 | -63.6 | -72.4 | 0 | 0 | 0 | 122 | L826 | Y824-L826 HydrophobicContact CD1-CD2 4.29Š| ||
| 825 | P | 49.2 | Very low | 29.5 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | cis | -142.2 | -172.3 | 37 | 40 | -19.6 | 0 | 0 | 0 | 116.5 | ||||
| 826 | L | 33.2 | Very low | 29.8 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | -166.8 | -176 | -34.4 | -94.8 | 171.1 | 0 | 0 | 0 | 108.8 | Y824 | Y824-L826 HydrophobicContact CD1-CD2 4.29Š| ||
| 827 | A | 28.3 | Very low | 29.6 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 75.6 | 136.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 828 | E | 25.2 | Very low | 29.8 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | cis | -145.5 | 153.2 | -1.3 | -125.4 | 174.6 | 168.6 | 0 | 0 | 113.8 | ||||
| 829 | S | 25.1 | Very low | 29.9 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -42.6 | 144.2 | -178.2 | 170.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 830 | E | 24.8 | Very low | 29.9 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | -167.7 | 133.3 | 106.9 | -97 | -144.5 | 111 | 0 | 0 | 117.8 | |||||
| 831 | R | 31.3 | Very low | 30 | Very low | 193 Ų | 193 | 138.2 Ų | 138.2 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | 35 | 119.1 | 151 | -73 | -175.9 | 162.6 | 111.1 | -5 | 125.8 | ||||
| 832 | M | 26.6 | Very low | 30.8 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | 76.7 | 163.2 | 128.3 | -64.6 | 166.7 | 59.7 | 0 | 0 | 118.7 | |||||
| 833 | Q | 28.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | cis | -172.2 | 171.1 | -21 | -102.1 | -173.4 | -1.5 | 0 | 0 | 108.3 | ||||
| 834 | V | 27.1 | Very low | 30.1 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -171.7 | 179.8 | -19.7 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 835 | L | 28.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | 81 | 87.4 | 161.4 | -86.4 | 170.9 | 0 | 0 | 0 | 122.5 | ||||
| 836 | N | 28.5 | Very low | 29.3 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | 34.5 | 139.7 | 125 | -55 | 0.9 | 0 | 0 | 0 | 123.7 | |||||
| 837 | G | 27.4 | Very low | 29.6 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -179.8 | 101.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 838 | N | 27.8 | Very low | 30.3 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 142.3 | -173.2 | -64.1 | -26.1 | 0 | 0 | 0 | 118.8 | ||||
| 839 | G | 28.6 | Very low | 30.5 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | 96.2 | 145.4 | 118.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 840 | G | 28.4 | Very low | 30.7 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | 135.2 | 130.9 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 841 | K | 30.3 | Very low | 30.9 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | trans | -133 | 166.1 | 163.7 | -64.7 | 178.7 | -178.9 | 174.3 | 0 | 106.2 | ||||
| 842 | P | 43.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -147.7 | 178.9 | 18.1 | 45 | -25.5 | 0 | 0 | 0 | 118.4 | ||||
| 843 | R | 29.1 | Very low | 30.9 | Very low | 229 Ų | 229 | 130.9 Ų | 130.9 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | 45.6 | 106.2 | 141.1 | -80.8 | -174.4 | 168.4 | 126.3 | -1.7 | 122.9 | ||||
| 844 | S | 33.3 | Very low | 31 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | 45 | 129 | 115.1 | 66.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 845 | F | 28.2 | Very low | 31.2 | Very low | 203 Ų | 203 | 128 Ų | 128 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | -160.8 | -172.7 | 116.9 | -106.8 | -68 | 0 | 0 | 0 | 111 | |||||
| 846 | T | 33.2 | Very low | 31.1 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | trans | -126.1 | 146.2 | -150 | -28.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 847 | L | 39.3 | Very low | 31 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | 10.1 | 154.5 | 151.8 | -59.1 | 174.1 | 0 | 0 | 0 | 120.7 | ||||
| 848 | P | 41.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -152.3 | -179 | 34 | 45.1 | -25 | 0 | 0 | 0 | 119.3 | ||||
| 849 | R | 30.6 | Very low | 31.1 | Very low | 219 Ų | 219 | 126.4 Ų | 126.4 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | trans | 44.5 | 147.8 | 147 | -70.7 | -171.8 | 155.8 | 143.2 | 1.6 | 122 | ||||
| 850 | D | 29.9 | Very low | 31 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 65% | 0.652 | 69% | 0.692 | S | S | * | * | cis | -165.2 | 178.5 | -6.2 | -96.7 | -22.2 | 0 | 0 | 0 | 108.8 | ||||
| 851 | S | 27.1 | Very low | 32 | Very low | 80 Ų | 80 | 128 Ų | 128 | 56% | 0.559 | 69% | 0.687 | S | S | * | * | trans | 76.2 | 132.1 | 175.2 | 37.3 | 0 | 0 | 0 | 0 | 119.5 | D451 | D451-S851 WeakPolarHBondContact OD1-CB 3.08Š| ||
| 852 | G | 30.3 | Very low | 31.8 | Very low | 17 Ų | 17 | 125 Ų | 125 | 18% | 0.175 | 69% | 0.686 | C | S | . | * | trans | -126 | -142.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | D451 Y452 | D451-G852 CarbonylContact C-O 3.34Å; D451-G852 VanDerWaalsContact CB-O 3.23Å; D451-G852 WeakPolarHBondContact CB-O 3.39Å; D451-G852 WeakPolarHBondContact OD2-CA 3.38Å; D451-G852 PolarHBondContact OD2-N 3.33Å; Y452-G852 CarbonylContact C-O 3.56Å; Y452-G852 WeakPolarHBondContact CA-O 3.29Å; Y452-G852 PolarHBondContact N-O 3.42Å | ||
| 853 | F | 29.4 | Very low | 31 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 45% | 0.447 | 69% | 0.685 | S | S | . | * | trans | 68.8 | 158.1 | -170.2 | -90.6 | -41 | 0 | 0 | 0 | 115.6 | V449 D451 Y452 | V449-F853 WeakPolarHBondContact O-CE2 3.22Å; D451-F853 HydrophobicContact CB-CB 3.9Å; D451-F853 HydrophobicContact CB-CD2 3.51Å; D451-F853 HydrophobicContact CB-CE2 4.45Å; D451-F853 HydrophobicContact CB-CG 4.1Å; D451-F853 WeakPolarHBondContact O-CB 2.93Å; Y452-F853 VanDerWaalsContact CD1-O 3.24Å; Y452-F853 WeakPolarHBondContact CD1-O 3.4Å; Y452-F853 VanDerWaalsContact CE1-O 3.28Å; Y452-F853 WeakPolarHBondContact CE1-O 3.39Å | ||
| 854 | N | 29.6 | Very low | 30.7 | Very low | 60 Ų | 60 | 118 Ų | 118 | 32% | 0.321 | 68% | 0.68 | S | S | . | * | cis | -151.7 | 166.5 | 14.6 | -138.2 | -35.6 | 0 | 0 | 0 | 114.7 | Y452 | Y452-N854 HydrophobicContact CD2-CB 4.02Å; Y452-N854 HydrophobicContact CE1-CB 4.32Å; Y452-N854 HydrophobicContact CE2-CB 3.3Å; Y452-N854 VanDerWaalsContact CZ-CB 3.44Å; Y452-N854 WeakPolarHBondContact OH-CB 3.42Å; Y452-N854 PolarHBondContact OH-O 2.95Å | ||
| 855 | H | 31.6 | Very low | 30.4 | Very low | 149 Ų | 149 | 118.3 Ų | 118.3 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | trans | 41.8 | 139.7 | 157.9 | -78.2 | -63.9 | 0 | 0 | 0 | 123.9 | ||||
| 856 | C | 25.3 | Very low | 30 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | -157.4 | 162.1 | 112 | -138.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 857 | C | 28 | Very low | 30.4 | Very low | 99 Ų | 99 | 115.9 Ų | 115.9 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -118.8 | -162.1 | -170.2 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 858 | L | 29.9 | Very low | 29.7 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | 178.4 | 136.3 | 129.6 | -93.4 | 167.8 | 0 | 0 | 0 | 114.1 | |||||
| 859 | N | 26.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 118 Ų | 118 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | trans | 71.8 | 147.1 | 143.6 | -68.3 | -7.4 | 0 | 0 | 0 | 122.9 | ||||
| 860 | A | 26.4 | Very low | 28.6 | Very low | 84 Ų | 84 | 114.4 Ų | 114.4 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | cis | -161.8 | -152.6 | -17 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 861 | P | 48.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | -133.6 | -176.3 | -113.3 | 42.2 | -22 | 0 | 0 | 0 | 117 | |||||
| 862 | V | 26.1 | Very low | 28.1 | Very low | 145 Ų | 145 | 120 Ų | 120 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | trans | 176.3 | 157.8 | 135.9 | 146.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 863 | S | 26.4 | Very low | 28.8 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | -92.7 | -175.5 | -175.5 | -144.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 864 | A | 24.5 | Very low | 29.4 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | cis | -167.2 | -178.5 | 12.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 865 | C | 25.7 | Very low | 29.1 | Very low | 97 Ų | 97 | 129 Ų | 129 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | cis | -173.1 | 152.5 | -40.3 | -86 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 866 | D | 21 | Very low | 28.8 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 62.1 | 166.4 | 157.3 | -66.5 | -58.9 | 0 | 0 | 0 | 120.5 | ||||
| 867 | P | 40.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | cis | -130.3 | -178.8 | 1.2 | 41.1 | -23.7 | 0 | 0 | 0 | 117.8 | ||||
| 868 | Q | 24.3 | Very low | 28.4 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -18.6 | 157.1 | 156.2 | -97.4 | 171.9 | -111 | 0 | 0 | 120 | ||||
| 869 | D | 25 | Very low | 28 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | -166.1 | -175.6 | 66 | -115 | -21.6 | 0 | 0 | 0 | 116.2 | |||||
| 870 | D | 23.8 | Very low | 27.8 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -75.2 | 164 | -173.9 | -77.7 | -60.7 | 0 | 0 | 0 | 118.3 | ||||
| 871 | V | 25.6 | Very low | 27.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | 165.3 | 143.7 | 114.9 | 160.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 872 | Q | 22.5 | Very low | 26.5 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -103.8 | -174.2 | 179.1 | -103.6 | -176.2 | -15.8 | 0 | 0 | 111.7 | ||||
| 873 | P | 43.4 | Very low | 26.6 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -130.3 | -117 | -30.5 | 33.9 | -12.1 | 0 | 0 | 0 | 112.1 | ||||
| 874 | P | 42.6 | Very low | 26.9 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 54% | 0.539 | 78% | 0.777 | S | S | . | * | -115.3 | -177.3 | -85 | 38.7 | -22.1 | 0 | 0 | 0 | 115.4 | |||||
| 875 | E | 23.5 | Very low | 27.3 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 63.5 | 162.9 | 147.2 | -75.5 | 151.3 | -133 | 0 | 0 | 117.9 | ||||
| 876 | V | 24.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | cis | -154.1 | 157.1 | -24.3 | 121.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 877 | E | 23.4 | Very low | 27.9 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 10.8 | 143.2 | 162.6 | -62.6 | 152.3 | 171.3 | 0 | 0 | 124 | ||||
| 878 | E | 21.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 76.9 | 104.7 | 145.3 | -71.6 | 167.3 | -162.8 | 0 | 0 | 123 | ||||
| 879 | E | 22.6 | Very low | 28.2 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 64.3 | 128.5 | 129.4 | -60.6 | -176.6 | 165.1 | 0 | 0 | 124.2 | |||||
| 880 | E | 22.4 | Very low | 28.6 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 72.8 | 123.9 | 152.8 | -64.5 | 178.1 | 175.4 | 0 | 0 | 123.2 | ||||
| 881 | E | 24.2 | Very low | 28.8 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 41.6 | 155.1 | 137.9 | -43.5 | -168.8 | 152.8 | 0 | 0 | 121.5 | ||||
| 882 | E | 23.8 | Very low | 29 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | cis | -146.4 | -171.2 | 24.8 | -63.9 | 178.5 | 118.4 | 0 | 0 | 113.5 | ||||
| 883 | E | 28.3 | Very low | 29.2 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -96.1 | -152.3 | 176.7 | -55.3 | -172.4 | 128 | 0 | 0 | 112.4 | ||||
| 884 | E | 32.2 | Very low | 28.4 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | cis | -90.3 | -164.4 | 11.1 | -53.6 | 173.8 | 110.1 | 0 | 0 | 112.7 | ||||
| 885 | E | 32.6 | Very low | 27.5 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | cis | -152.5 | -179.2 | 7.7 | -133.8 | -150.6 | 119.2 | 0 | 0 | 107 | ||||
| 886 | E | 29.5 | Very low | 27.6 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | cis | -89.9 | -128.7 | 6.8 | -55.1 | 176.5 | 39.1 | 0 | 0 | 111.1 | ||||
| 887 | G | 30.5 | Very low | 27.8 | Very low | 64 Ų | 64 | 146.9 Ų | 146.9 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | 82.7 | 136.7 | 12.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 888 | E | 33.8 | Very low | 27.8 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | cis | -150.8 | 162.6 | -9.4 | -104.3 | -140.8 | 112.1 | 0 | 0 | 106.4 | ||||
| 889 | A | 35.5 | Very low | 28.5 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | cis | -179.6 | 155.3 | -18.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 890 | A | 33.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | cis | -158 | 168.6 | -12.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 891 | G | 28.6 | Very low | 28.8 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | cis | 179.2 | -171.6 | 2.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 892 | E | 29.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -166.4 | 159.4 | 0.2 | -150.7 | -178 | -116.2 | 0 | 0 | 108.7 | ||||
| 893 | N | 26.7 | Very low | 30 | Very low | 113 Ų | 113 | 142 Ų | 142 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | trans | 63.1 | 110.9 | 165.9 | -52.2 | -50.1 | 0 | 0 | 0 | 118.2 | ||||
| 894 | I | 27.7 | Very low | 30.4 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | 74.7 | 126 | 57.2 | -58.8 | 164.2 | 0 | 0 | 0 | 112.6 | |||||
| 895 | G | 24.1 | Very low | 31.2 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -178.4 | 45.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 896 | E | 25 | Very low | 31.3 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | 29 | 121.9 | 155.9 | -70.6 | -155.6 | 98.3 | 0 | 0 | 123 | ||||
| 897 | K | 27.4 | Very low | 32.3 | Very low | 170 Ų | 170 | 134 Ų | 134 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | 76.5 | 154.9 | 119.4 | -168.7 | 178.1 | -80.1 | 158.7 | 0 | 120.4 | |||||
| 898 | S | 24.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 88.2 | 163.8 | 168.3 | 78.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 899 | E | 35.6 | Very low | 34.6 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -82.8 | 168.1 | -150.5 | -63.9 | 169.1 | 93.2 | 0 | 0 | 116.9 | ||||
| 900 | S | 25.7 | Very low | 35.8 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 74.1 | 141.5 | 171.2 | 79.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 901 | R | 25.7 | Very low | 37.4 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | -179.6 | 145.5 | 52.3 | 173.1 | 178 | 165.4 | 145.8 | 14.8 | 112 | |||||
| 902 | E | 31 | Very low | 39.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | 54.9 | 114.8 | 159.4 | -70.3 | 162.8 | -179.9 | 0 | 0 | 120.3 | ||||
| 903 | E | 42.1 | Very low | 40.5 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | trans | -57.1 | 151.8 | 157.3 | -54.1 | 164.7 | 104 | 0 | 0 | 111.8 | ||||
| 904 | K | 38 | Very low | 42.4 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | trans | -148.2 | 99 | 156.2 | -126.2 | 162.8 | -171.3 | 167.4 | 0 | 113.6 | G906 | K904-G906 PolarHBondContact O-N 3.39Š| ||
| 905 | L | 47.7 | Very low | 44.3 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 93% | 0.932 | 67% | 0.671 | S | S | * | * | trans | -65.3 | 119.7 | 170.1 | -76.9 | 155.5 | 0 | 0 | 0 | 110.7 | ||||
| 906 | G | 35.6 | Very low | 46 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 64% | 0.643 | S | S | * | * | trans | -165.5 | 138.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K904 | K904-G906 PolarHBondContact O-N 3.39Š| ||
| 907 | D | 50.3 | Low | 47.8 | Very low | 98 Ų | 98 | 124 Ų | 124 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | S | Bend | cis | -140.3 | 56.7 | 6.8 | -160.9 | -4.7 | 0 | 0 | 0 | 112.3 | L909 Q910 D911 | D907-L909 PolarHBondContact O-N 2.91Å; D907-L909 VanDerWaalsContact O-N 3.16Å; D907-Q910 HydrophobicContact CB-CB 4.12Å; D907-Q910 PolarHBondContact O-N 2.73Å; D907-Q910 WeakPolarHBondContact OD1-CB 3.46Å; D907-Q910 PolarHBondContact OD1-N 3.21Å; D907-Q910 VanDerWaalsContact OD1-N 3.1Å; D907-Q910 WeakPolarHBondContact OD2-CB 3.5Å; D907-D911 PolarHBondContact O-N 3Å |
| 908 | S | 59.1 | Low | 49.4 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -53.8 | -30.7 | 174.9 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | L912 | S908-L912 WeakPolarHBondContact O-CB 3.44Å; S908-L912 PolarHBondContact O-N 2.86Å |
| 909 | L | 52.6 | Low | 51.1 | Low | 113 Ų | 113 | 120.5 Ų | 120.5 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.9 | -44.5 | 176.4 | -172.1 | 66.5 | 0 | 0 | 0 | 111.3 | D907 D911 L912 Y913 | D907-L909 PolarHBondContact O-N 2.91Å; D907-L909 VanDerWaalsContact O-N 3.16Å; L909-D911 PolarHBondContact O-N 3.04Å; L909-L912 WeakPolarHBondContact O-CB 3.37Å; L909-L912 PolarHBondContact O-N 3.47Å; L909-Y913 HydrophobicContact CD1-CD2 4.34Å; L909-Y913 HydrophobicContact CD1-CE2 4.21Å; L909-Y913 HydrophobicContact CD2-CE2 4.47Å; L909-Y913 HydrophobicContact CG-CD2 4.07Å; L909-Y913 HydrophobicContact CG-CE2 4.09Å; L909-Y913 WeakPolarHBondContact O-CD2 3.36Å; L909-Y913 PolarHBondContact O-N 2.7Å |
| 910 | Q | 61.1 | Low | 52 | Low | 93 Ų | 93 | 113.5 Ų | 113.5 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -37.5 | 179 | -176 | 73.2 | -33.3 | 0 | 0 | 112.7 | D907 Y913 R914 | D907-Q910 HydrophobicContact CB-CB 4.12Å; D907-Q910 PolarHBondContact O-N 2.73Å; D907-Q910 WeakPolarHBondContact OD1-CB 3.46Å; D907-Q910 PolarHBondContact OD1-N 3.21Å; D907-Q910 VanDerWaalsContact OD1-N 3.1Å; D907-Q910 WeakPolarHBondContact OD2-CB 3.5Å; Q910-Y913 WeakPolarHBondContact O-CB 3.46Å; Q910-Y913 PolarHBondContact O-N 2.93Å; Q910-R914 WeakPolarHBondContact O-CB 3.36Å; Q910-R914 PolarHBondContact O-N 3.41Å |
| 911 | D | 68.1 | Low | 53.4 | Low | 93 Ų | 93 | 110.2 Ų | 110.2 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.8 | -31.4 | 173.5 | -76.6 | -29.4 | 0 | 0 | 0 | 112.7 | D907 L909 R914 A915 | D907-D911 PolarHBondContact O-N 3Å; L909-D911 PolarHBondContact O-N 3.04Å; D911-R914 WeakPolarHBondContact O-CB 3.33Å; D911-R914 PolarHBondContact O-N 3.25Å; D911-R914 IonicContact OD1-CZ 3.55Å; D911-R914 IonicContact OD1-NE 2.66Å; D911-R914 PolarHBondContact OD1-NE 3.39Å; D911-R914 IonicContact OD1-NH2 2.97Å; D911-R914 PolarHBondContact OD1-NH2 3.46Å; D911-A915 WeakPolarHBondContact O-CB 3.35Å; D911-A915 PolarHBondContact O-N 3.04Å |
| 912 | L | 63.1 | Low | 55 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 169.5 | -171.3 | 130.1 | 0 | 0 | 0 | 111.8 | S908 L909 A915 L916 | S908-L912 WeakPolarHBondContact O-CB 3.44Å; S908-L912 PolarHBondContact O-N 2.86Å; L909-L912 WeakPolarHBondContact O-CB 3.37Å; L909-L912 PolarHBondContact O-N 3.47Å; L912-A915 PolarHBondContact O-N 3.5Å; L912-L916 HydrophobicContact CD2-CD1 3.69Å; L912-L916 HydrophobicContact CG-CD1 4.42Å; L912-L916 WeakPolarHBondContact O-CB 3.34Å; L912-L916 WeakPolarHBondContact O-CD1 3.4Å; L912-L916 VanDerWaalsContact O-CG 3.23Å; L912-L916 WeakPolarHBondContact O-CG 3.39Å; L912-L916 PolarHBondContact O-N 3.49Å |
| 913 | Y | 59.3 | Low | 55.9 | Low | 112 Ų | 112 | 98.9 Ų | 98.9 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 169 | -95.6 | -86.9 | 0 | 0 | 0 | 112 | L909 Q910 L916 E917 P923 | L909-Y913 HydrophobicContact CD1-CD2 4.34Å; L909-Y913 HydrophobicContact CD1-CE2 4.21Å; L909-Y913 HydrophobicContact CD2-CE2 4.47Å; L909-Y913 HydrophobicContact CG-CD2 4.07Å; L909-Y913 HydrophobicContact CG-CE2 4.09Å; L909-Y913 WeakPolarHBondContact O-CD2 3.36Å; L909-Y913 PolarHBondContact O-N 2.7Å; Q910-Y913 WeakPolarHBondContact O-CB 3.46Å; Q910-Y913 PolarHBondContact O-N 2.93Å; Y913-L916 PolarHBondContact O-N 2.71Å; Y913-E917 WeakPolarHBondContact O-CB 3.38Å; Y913-E917 PolarHBondContact O-N 2.92Å; Y913-P923 HydrophobicContact CD1-CG 4.08Å; Y913-P923 HydrophobicContact CE1-CG 3.4Å; Y913-P923 VanDerWaalsContact CE1-CG 3.4Å; Y913-P923 HydrophobicContact CE2-CG 4.27Å |
| 914 | R | 67.6 | Low | 56.3 | Low | 124 Ų | 124 | 98.2 Ų | 98.2 | 47% | 0.468 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.7 | -145.4 | -172.6 | -48.6 | -83.1 | 4.2 | 111.6 | Q910 D911 E917 Q918 | Q910-R914 WeakPolarHBondContact O-CB 3.36Å; Q910-R914 PolarHBondContact O-N 3.41Å; D911-R914 WeakPolarHBondContact O-CB 3.33Å; D911-R914 PolarHBondContact O-N 3.25Å; D911-R914 IonicContact OD1-CZ 3.55Å; D911-R914 IonicContact OD1-NE 2.66Å; D911-R914 PolarHBondContact OD1-NE 3.39Å; D911-R914 IonicContact OD1-NH2 2.97Å; D911-R914 PolarHBondContact OD1-NH2 3.46Å; R914-E917 PolarHBondContact O-N 3.49Å; R914-Q918 WeakPolarHBondContact O-CG 3.47Å; R914-Q918 PolarHBondContact O-N 2.87Å |
| 915 | A | 66.1 | Low | 56.8 | Low | 53 Ų | 53 | 91 Ų | 91 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D911 L912 Q918 A919 | D911-A915 WeakPolarHBondContact O-CB 3.35Å; D911-A915 PolarHBondContact O-N 3.04Å; L912-A915 PolarHBondContact O-N 3.5Å; A915-Q918 PolarHBondContact O-N 3.09Å; A915-A919 VanDerWaalsContact O-CB 3.3Å; A915-A919 WeakPolarHBondContact O-CB 3.32Å; A915-A919 PolarHBondContact O-N 3.31Å |
| 916 | L | 61.3 | Low | 56.8 | Low | 34 Ų | 34 | 89.3 Ų | 89.3 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.8 | -76.9 | 166.2 | 0 | 0 | 0 | 112 | L912 Y913 A919 S920 L921 P923 | L912-L916 HydrophobicContact CD2-CD1 3.69Å; L912-L916 HydrophobicContact CG-CD1 4.42Å; L912-L916 WeakPolarHBondContact O-CB 3.34Å; L912-L916 WeakPolarHBondContact O-CD1 3.4Å; L912-L916 VanDerWaalsContact O-CG 3.23Å; L912-L916 WeakPolarHBondContact O-CG 3.39Å; L912-L916 PolarHBondContact O-N 3.49Å; Y913-L916 PolarHBondContact O-N 2.71Å; L916-A919 CarbonylContact O-C 3.53Å; L916-A919 PolarHBondContact O-N 3.4Å; L916-S920 PolarHBondContact O-N 3.33Å; L916-S920 VanDerWaalsContact O-N 3.09Å; L916-L921 CarbonylContact C-O 3.57Å; L916-L921 HydrophobicContact CD2-CB 3.77Å; L916-L921 PolarHBondContact O-N 3.5Å; L916-P923 HydrophobicContact CD1-CB 4.19Å; L916-P923 HydrophobicContact CD1-CG 4.08Å |
| 917 | E | 62.3 | Low | 57.7 | Low | 133 Ų | 133 | 92.3 Ų | 92.3 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.7 | -173.1 | 161 | -114.3 | 0 | 0 | 111.7 | Y913 R914 A919 S920 | Y913-E917 WeakPolarHBondContact O-CB 3.38Å; Y913-E917 PolarHBondContact O-N 2.92Å; R914-E917 PolarHBondContact O-N 3.49Å; E917-A919 VanDerWaalsContact C-N 3.29Å; E917-A919 PolarHBondContact O-N 2.84Å; E917-S920 PolarHBondContact O-N 3.4Å; E917-S920 VanDerWaalsContact O-N 3.12Å |
| 918 | Q | 60.9 | Low | 57.6 | Low | 164 Ų | 164 | 94.8 Ų | 94.8 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -34.8 | 171.3 | -71.9 | 176.5 | 10.7 | 0 | 0 | 112.8 | R914 A915 S920 | R914-Q918 WeakPolarHBondContact O-CG 3.47Å; R914-Q918 PolarHBondContact O-N 2.87Å; A915-Q918 PolarHBondContact O-N 3.09Å; Q918-S920 VanDerWaalsContact C-N 3.28Å; Q918-S920 PolarHBondContact O-N 3.23Å |
| 919 | A | 59.4 | Low | 57.4 | Low | 49 Ų | 49 | 93.6 Ų | 93.6 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A915 L916 E917 L921 | A915-A919 VanDerWaalsContact O-CB 3.3Å; A915-A919 WeakPolarHBondContact O-CB 3.32Å; A915-A919 PolarHBondContact O-N 3.31Å; L916-A919 CarbonylContact O-C 3.53Å; L916-A919 PolarHBondContact O-N 3.4Å; E917-A919 VanDerWaalsContact C-N 3.29Å; E917-A919 PolarHBondContact O-N 2.84Å; A919-L921 VanDerWaalsContact C-N 3.33Å; A919-L921 HydrophobicContact CB-CD1 4Å; A919-L921 HydrophobicContact CB-CG 4.42Å; A919-L921 PolarHBondContact O-N 2.82Å |
| 920 | S | 56.2 | Low | 57.4 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 22% | 0.224 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 41.7 | -173 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | L916 E917 Q918 H927 R928 | L916-S920 PolarHBondContact O-N 3.33Å; L916-S920 VanDerWaalsContact O-N 3.09Å; E917-S920 PolarHBondContact O-N 3.4Å; E917-S920 VanDerWaalsContact O-N 3.12Å; Q918-S920 VanDerWaalsContact C-N 3.28Å; Q918-S920 PolarHBondContact O-N 3.23Å; S920-H927 CarbonylContact O-C 3.48Å; S920-H927 WeakPolarHBondContact O-CA 3.49Å; S920-H927 PolarHBondContact O-ND1 2.95Å; S920-R928 PolarHBondContact O-N 3.32Å |
| 921 | L | 54.5 | Low | 57.2 | Low | 49 Ų | 49 | 90.9 Ų | 90.9 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -123.1 | 155.4 | -179.1 | -73.8 | 165.3 | 0 | 0 | 0 | 111.3 | L916 A919 | L916-L921 CarbonylContact C-O 3.57Å; L916-L921 HydrophobicContact CD2-CB 3.77Å; L916-L921 PolarHBondContact O-N 3.5Å; A919-L921 VanDerWaalsContact C-N 3.33Å; A919-L921 HydrophobicContact CB-CD1 4Å; A919-L921 HydrophobicContact CB-CG 4.42Å; A919-L921 PolarHBondContact O-N 2.82Å |
| 922 | S | 60 | Low | 56.4 | Low | 23 Ų | 23 | 95 Ų | 95 | 16% | 0.161 | 49% | 0.494 | C | S | . | . | trans | -97.7 | 158.3 | 169.3 | -47.9 | 0 | 0 | 0 | 0 | 109.5 | L924 G925 E926 | S922-L924 PolarHBondContact O-N 3.16Å; S922-G925 PolarHBondContact O-N 3.28Å; S922-E926 VanDerWaalsContact CB-O 3.28Å; S922-E926 WeakPolarHBondContact CB-O 3.31Å; S922-E926 PolarHBondContact N-O 3.15Å; S922-E926 PolarHBondContact OG-O 3.06Å | ||
| 923 | P | 49.7 | Very low | 55.7 | Low | 73 Ų | 73 | 97 Ų | 97 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.2 | 178 | -26 | 33.9 | 0 | 0 | 0 | 114.9 | Y913 L916 G925 | Y913-P923 HydrophobicContact CD1-CG 4.08Å; Y913-P923 HydrophobicContact CE1-CG 3.4Å; Y913-P923 VanDerWaalsContact CE1-CG 3.4Å; Y913-P923 HydrophobicContact CE2-CG 4.27Å; L916-P923 HydrophobicContact CD1-CB 4.19Å; L916-P923 HydrophobicContact CD1-CG 4.08Å; P923-G925 VanDerWaalsContact C-N 3.27Å; P923-G925 PolarHBondContact O-N 3.25Å |
| 924 | L | 49.6 | Very low | 55.3 | Low | 167 Ų | 167 | 95.3 Ų | 95.3 | 87% | 0.874 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 10.4 | 175.1 | -67.7 | 163.3 | 0 | 0 | 0 | 113.7 | S922 E926 | S922-L924 PolarHBondContact O-N 3.16Å; L924-E926 VanDerWaalsContact C-N 3.29Å; L924-E926 PolarHBondContact O-N 3.07Å |
| 925 | G | 47.8 | Very low | 54.5 | Low | 53 Ų | 53 | 95.5 Ų | 95.5 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | S | Bend | trans | 80.1 | -3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S922 P923 | S922-G925 PolarHBondContact O-N 3.28Å; P923-G925 VanDerWaalsContact C-N 3.27Å; P923-G925 PolarHBondContact O-N 3.25Å |
| 926 | E | 48.9 | Very low | 53.8 | Low | 141 Ų | 141 | 99.3 Ų | 99.3 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | trans | -76 | 128.1 | 177.5 | -65.2 | -154.7 | 128.2 | 0 | 0 | 112.3 | S922 L924 R928 | S922-E926 VanDerWaalsContact CB-O 3.28Å; S922-E926 WeakPolarHBondContact CB-O 3.31Å; S922-E926 PolarHBondContact N-O 3.15Å; S922-E926 PolarHBondContact OG-O 3.06Å; L924-E926 VanDerWaalsContact C-N 3.29Å; L924-E926 PolarHBondContact O-N 3.07Å; E926-R928 PolarHBondContact O-N 2.87Å; E926-R928 VanDerWaalsContact O-N 3.13Å | ||
| 927 | H | 53.1 | Low | 53.4 | Low | 136 Ų | 136 | 102.2 Ų | 102.2 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | B | Isolated β-bridge | trans | -60.7 | 114.2 | 179 | -101.8 | -58.6 | 0 | 0 | 0 | 112.5 | S920 I929 | S920-H927 CarbonylContact O-C 3.48Å; S920-H927 WeakPolarHBondContact O-CA 3.49Å; S920-H927 PolarHBondContact O-ND1 2.95Å; H927-I929 PolarHBondContact O-N 3.21Å |
| 928 | R | 50.2 | Low | 53 | Low | 150 Ų | 150 | 98.2 Ų | 98.2 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | trans | -91.3 | 88.1 | -178.4 | -143.6 | 178.2 | -163.7 | -145.1 | 6.4 | 108.7 | S920 E926 S930 | S920-R928 PolarHBondContact O-N 3.32Å; E926-R928 PolarHBondContact O-N 2.87Å; E926-R928 VanDerWaalsContact O-N 3.13Å; R928-S930 PolarHBondContact O-N 3.08Å | ||
| 929 | I | 53.2 | Low | 52.6 | Low | 78 Ų | 78 | 96.9 Ų | 96.9 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | trans | -67.7 | 91.5 | -176.2 | -49.9 | 174.3 | 0 | 0 | 0 | 109.6 | H927 E934 Y935 | H927-I929 PolarHBondContact O-N 3.21Å; I929-E934 HydrophobicContact CG2-CB 3.98Å; I929-Y935 HydrophobicContact CD1-CD2 3.92Å; I929-Y935 HydrophobicContact CD1-CE2 4.36Å; I929-Y935 HydrophobicContact CG2-CD2 4.17Å; I929-Y935 HydrophobicContact CG2-CG 4.49Å; I929-Y935 VanDerWaalsContact CG2-N 3.34Å | ||
| 930 | S | 54.3 | Low | 52.4 | Low | 86 Ų | 86 | 100 Ų | 100 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | trans | -75.7 | -36.2 | -167 | 67 | 0 | 0 | 0 | 0 | 113.1 | R928 E934 | R928-S930 PolarHBondContact O-N 3.08Å; S930-E934 PolarHBondContact OG-OE2 3.31Å | ||
| 931 | T | 55.8 | Low | 52.5 | Low | 63 Ų | 63 | 107.1 Ų | 107.1 | 39% | 0.387 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -103.5 | 147 | 177.5 | 77.1 | 0 | 0 | 0 | 0 | 114.4 | M933 E934 Y935 | T931-M933 PolarHBondContact O-N 2.9Å; T931-M933 PolarHBondContact OG1-N 3.38Å; T931-E934 WeakPolarHBondContact CB-OE2 3.35Å; T931-E934 VanDerWaalsContact CG2-OE2 3.27Å; T931-E934 WeakPolarHBondContact CG2-OE2 3.29Å; T931-E934 PolarHBondContact N-OE2 2.99Å; T931-E934 PolarHBondContact O-N 3.01Å; T931-E934 VanDerWaalsContact OG1-CD 3.24Å; T931-E934 WeakPolarHBondContact OG1-CG 3.32Å; T931-E934 PolarHBondContact OG1-N 3.47Å; T931-E934 PolarHBondContact OG1-OE2 3.4Å; T931-Y935 PolarHBondContact O-N 2.57Å |
| 932 | K | 50.5 | Low | 52.7 | Low | 180 Ų | 180 | 114.2 Ų | 114.2 | 78% | 0.783 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -10.3 | 169 | -168.2 | 171.9 | -176.3 | 173.2 | 0 | 113.3 | K936 | K932-K936 WeakPolarHBondContact O-CG 3.49Š|
| 933 | M | 48.6 | Very low | 52.8 | Low | 137 Ų | 137 | 116.1 Ų | 116.1 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -45.6 | 175.7 | -168.4 | 132.8 | 168.1 | 0 | 0 | 110.7 | T931 Y935 K936 L937 | T931-M933 PolarHBondContact O-N 2.9Å; T931-M933 PolarHBondContact OG1-N 3.38Å; M933-Y935 VanDerWaalsContact C-N 3.28Å; M933-Y935 PolarHBondContact O-N 2.8Å; M933-K936 WeakPolarHBondContact O-CA 3.43Å; M933-K936 WeakPolarHBondContact O-CB 3.47Å; M933-K936 PolarHBondContact O-N 3.15Å; M933-L937 HydrophobicContact CG-CD1 4.18Å; M933-L937 WeakPolarHBondContact O-CG 3.46Å; M933-L937 PolarHBondContact O-N 3.46Å |
| 934 | E | 50.8 | Low | 53.6 | Low | 76 Ų | 76 | 121 Ų | 121 | 36% | 0.355 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.4 | -33.6 | 172 | -68.9 | 152.7 | 139.2 | 0 | 0 | 112.1 | I929 S930 T931 K936 L937 S938 | I929-E934 HydrophobicContact CG2-CB 3.98Å; S930-E934 PolarHBondContact OG-OE2 3.31Å; T931-E934 WeakPolarHBondContact CB-OE2 3.35Å; T931-E934 VanDerWaalsContact CG2-OE2 3.27Å; T931-E934 WeakPolarHBondContact CG2-OE2 3.29Å; T931-E934 PolarHBondContact N-OE2 2.99Å; T931-E934 PolarHBondContact O-N 3.01Å; T931-E934 VanDerWaalsContact OG1-CD 3.24Å; T931-E934 WeakPolarHBondContact OG1-CG 3.32Å; T931-E934 PolarHBondContact OG1-N 3.47Å; T931-E934 PolarHBondContact OG1-OE2 3.4Å; E934-K936 PolarHBondContact O-N 3Å; E934-L937 PolarHBondContact O-N 3.31Å; E934-L937 VanDerWaalsContact O-N 3.15Å; E934-S938 WeakPolarHBondContact O-CB 3.25Å; E934-S938 PolarHBondContact O-N 3.01Å; E934-S938 PolarHBondContact O-OG 3.42Å |
| 935 | Y | 51.4 | Low | 54.5 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 51% | 0.506 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.6 | -32.3 | 171 | -166.6 | -85.9 | 0 | 0 | 0 | 112.6 | I929 T931 M933 S938 F939 | I929-Y935 HydrophobicContact CD1-CD2 3.92Å; I929-Y935 HydrophobicContact CD1-CE2 4.36Å; I929-Y935 HydrophobicContact CG2-CD2 4.17Å; I929-Y935 HydrophobicContact CG2-CG 4.49Å; I929-Y935 VanDerWaalsContact CG2-N 3.34Å; T931-Y935 PolarHBondContact O-N 2.57Å; M933-Y935 VanDerWaalsContact C-N 3.28Å; M933-Y935 PolarHBondContact O-N 2.8Å; Y935-S938 PolarHBondContact O-OG 2.81Å; Y935-F939 HydrophobicContact CD1-CE2 4.42Å; Y935-F939 HydrophobicContact CE1-CD2 4.23Å; Y935-F939 AromaticContact CE1-CE2 3.72Å; Y935-F939 HydrophobicContact CE1-CE2 3.72Å; Y935-F939 AromaticContact CZ-CE2 3.84Å; Y935-F939 WeakPolarHBondContact O-CD2 3.3Å |
| 936 | K | 52.6 | Low | 55.7 | Low | 133 Ų | 133 | 118.3 Ų | 118.3 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -78.2 | -38.7 | 172.9 | -68 | 174.5 | 177.5 | -177.9 | 0 | 111.7 | K932 M933 E934 F939 I940 | K932-K936 WeakPolarHBondContact O-CG 3.49Å; M933-K936 WeakPolarHBondContact O-CA 3.43Å; M933-K936 WeakPolarHBondContact O-CB 3.47Å; M933-K936 PolarHBondContact O-N 3.15Å; E934-K936 PolarHBondContact O-N 3Å; K936-F939 PolarHBondContact O-N 3.45Å; K936-I940 WeakPolarHBondContact O-CD1 3.43Å; K936-I940 WeakPolarHBondContact O-CG1 3.4Å; K936-I940 PolarHBondContact O-N 2.92Å |
| 937 | L | 51.7 | Low | 57 | Low | 95 Ų | 95 | 115.2 Ų | 115.2 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.2 | -33.5 | -178.1 | -66.7 | 166.8 | 0 | 0 | 0 | 112.8 | M933 E934 F939 I940 K941 | M933-L937 HydrophobicContact CG-CD1 4.18Å; M933-L937 WeakPolarHBondContact O-CG 3.46Å; M933-L937 PolarHBondContact O-N 3.46Å; E934-L937 PolarHBondContact O-N 3.31Å; E934-L937 VanDerWaalsContact O-N 3.15Å; L937-F939 VanDerWaalsContact C-N 3.32Å; L937-F939 PolarHBondContact O-N 2.64Å; L937-I940 CarbonylContact O-C 3.11Å; L937-I940 WeakPolarHBondContact O-CA 3.29Å; L937-I940 PolarHBondContact O-N 2.85Å; L937-K941 PolarHBondContact O-N 3.1Å |
| 938 | S | 53.6 | Low | 57.9 | Low | 49 Ų | 49 | 112.9 Ų | 112.9 | 34% | 0.343 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.5 | -27.9 | 175.8 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | E934 Y935 I940 | E934-S938 WeakPolarHBondContact O-CB 3.25Å; E934-S938 PolarHBondContact O-N 3.01Å; E934-S938 PolarHBondContact O-OG 3.42Å; Y935-S938 PolarHBondContact O-OG 2.81Å; S938-I940 VanDerWaalsContact C-N 3.3Å |
| 939 | F | 52.8 | Low | 59.3 | Low | 136 Ų | 136 | 107.6 Ų | 107.6 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.4 | -24.5 | 165 | -92.8 | -103.4 | 0 | 0 | 0 | 113.8 | Y935 K936 L937 | Y935-F939 HydrophobicContact CD1-CE2 4.42Å; Y935-F939 HydrophobicContact CE1-CD2 4.23Å; Y935-F939 AromaticContact CE1-CE2 3.72Å; Y935-F939 HydrophobicContact CE1-CE2 3.72Å; Y935-F939 AromaticContact CZ-CE2 3.84Å; Y935-F939 WeakPolarHBondContact O-CD2 3.3Å; K936-F939 PolarHBondContact O-N 3.45Å; L937-F939 VanDerWaalsContact C-N 3.32Å; L937-F939 PolarHBondContact O-N 2.64Å |
| 940 | I | 55.8 | Low | 60.5 | Low | 113 Ų | 113 | 108.7 Ų | 108.7 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -95.5 | -25.1 | -176.1 | -67 | 165.9 | 0 | 0 | 0 | 112.3 | K936 L937 S938 R942 | K936-I940 WeakPolarHBondContact O-CD1 3.43Å; K936-I940 WeakPolarHBondContact O-CG1 3.4Å; K936-I940 PolarHBondContact O-N 2.92Å; L937-I940 CarbonylContact O-C 3.11Å; L937-I940 WeakPolarHBondContact O-CA 3.29Å; L937-I940 PolarHBondContact O-N 2.85Å; S938-I940 VanDerWaalsContact C-N 3.3Å; I940-R942 VanDerWaalsContact C-N 3.33Å; I940-R942 PolarHBondContact O-N 3.48Å |
| 941 | K | 57.5 | Low | 61.7 | Low | 182 Ų | 182 | 110.7 Ų | 110.7 | 79% | 0.791 | 54% | 0.539 | S | S | * | . | trans | -68.9 | 84.8 | -178.9 | -162.3 | 173.1 | -173.2 | 177.7 | 0 | 111.6 | L937 | L937-K941 PolarHBondContact O-N 3.1Š| ||
| 942 | R | 57.9 | Low | 62.8 | Low | 199 Ų | 199 | 110.4 Ų | 110.4 | 75% | 0.751 | 54% | 0.535 | S | S | * | . | trans | -74.1 | 145.8 | 170.4 | -69 | 172.9 | -176.6 | 167.7 | 0.4 | 110 | I940 N949 | I940-R942 VanDerWaalsContact C-N 3.33Å; I940-R942 PolarHBondContact O-N 3.48Å; R942-N949 WeakPolarHBondContact CA-OD1 3.48Å; R942-N949 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 943 | C | 63.1 | Low | 64.2 | Low | 62 Ų | 62 | 107.4 Ų | 107.4 | 42% | 0.419 | 52% | 0.523 | S | S | . | . | trans | -67.8 | 157.4 | 161.4 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | D945 N949 | C943-D945 PolarHBondContact O-N 3.32Å; C943-N949 PolarHBondContact N-OD1 2.97Å; C943-N949 PolarHBondContact O-ND2 2.84Å | ||
| 944 | N | 66.3 | Low | 65.8 | Low | 175 Ų | 175 | 108.2 Ų | 108.2 | 94% | 0.936 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -70.9 | -19.1 | 175.5 | -67.9 | -6.4 | 0 | 0 | 0 | 112.6 | ||
| 945 | D | 69.5 | Low | 67.3 | Low | 70 Ų | 70 | 109.5 Ų | 109.5 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | trans | -84.7 | 117.8 | 170.2 | 174.2 | 11.3 | 0 | 0 | 0 | 111.3 | C943 V947 M948 N949 | C943-D945 PolarHBondContact O-N 3.32Å; D945-V947 VanDerWaalsContact C-N 3.32Å; D945-V947 PolarHBondContact O-N 3.01Å; D945-V947 WeakPolarHBondContact OD1-CB 3.13Å; D945-V947 PolarHBondContact OD1-N 3.08Å; D945-M948 HydrophobicContact CB-CB 4.22Å; D945-M948 HydrophobicContact CB-CG 4.43Å; D945-M948 WeakPolarHBondContact OD2-CG 3.48Å; D945-M948 PolarHBondContact OD2-N 2.93Å; D945-N949 PolarHBondContact O-N 3.11Å; D945-N949 PolarHBondContact O-ND2 3.4Å | ||
| 946 | P | 71.8 | Confident | 68.8 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -30.6 | 176.3 | 27.9 | -35 | 0 | 0 | 0 | 113.6 | N949 E950 | P946-N949 WeakPolarHBondContact O-CB 3.33Å; P946-N949 PolarHBondContact O-N 2.88Å; P946-E950 PolarHBondContact O-N 3.25Å |
| 947 | V | 76.9 | Confident | 70.3 | Confident | 76 Ų | 76 | 107.1 Ų | 107.1 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.5 | -41.1 | -178.8 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | D945 N949 E950 K951 | D945-V947 VanDerWaalsContact C-N 3.32Å; D945-V947 PolarHBondContact O-N 3.01Å; D945-V947 WeakPolarHBondContact OD1-CB 3.13Å; D945-V947 PolarHBondContact OD1-N 3.08Å; V947-N949 VanDerWaalsContact C-N 3.35Å; V947-E950 PolarHBondContact O-N 2.98Å; V947-K951 HydrophobicContact CG1-CD 4.43Å; V947-K951 WeakPolarHBondContact O-CG 3.38Å; V947-K951 PolarHBondContact O-N 3.22Å |
| 948 | M | 71.6 | Confident | 71.9 | Confident | 87 Ų | 87 | 108.3 Ų | 108.3 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 172.7 | -76.2 | -65.5 | -73.1 | 0 | 0 | 112.7 | D945 K951 L952 | D945-M948 HydrophobicContact CB-CB 4.22Å; D945-M948 HydrophobicContact CB-CG 4.43Å; D945-M948 WeakPolarHBondContact OD2-CG 3.48Å; D945-M948 PolarHBondContact OD2-N 2.93Å; M948-K951 PolarHBondContact O-N 2.94Å; M948-K951 HydrophobicContact SD-CD 4.03Å; M948-L952 WeakPolarHBondContact O-CB 3.49Å; M948-L952 VanDerWaalsContact O-CG 3.31Å; M948-L952 WeakPolarHBondContact O-CG 3.31Å; M948-L952 PolarHBondContact O-N 3.49Å |
| 949 | N | 79.4 | Confident | 73.4 | Confident | 39 Ų | 39 | 112.9 Ų | 112.9 | 21% | 0.209 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 171.3 | -70.9 | -57.1 | 0 | 0 | 0 | 112.4 | R942 C943 D945 P946 V947 L952 H953 | R942-N949 WeakPolarHBondContact CA-OD1 3.48Å; R942-N949 WeakPolarHBondContact CB-OD1 3.31Å; C943-N949 PolarHBondContact N-OD1 2.97Å; C943-N949 PolarHBondContact O-ND2 2.84Å; D945-N949 PolarHBondContact O-N 3.11Å; D945-N949 PolarHBondContact O-ND2 3.4Å; P946-N949 WeakPolarHBondContact O-CB 3.33Å; P946-N949 PolarHBondContact O-N 2.88Å; V947-N949 VanDerWaalsContact C-N 3.35Å; N949-L952 PolarHBondContact O-N 3.05Å; N949-H953 WeakPolarHBondContact O-CB 3.43Å; N949-H953 PolarHBondContact O-N 3.24Å |
| 950 | E | 78.4 | Confident | 74.6 | Confident | 100 Ų | 100 | 110.4 Ų | 110.4 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 178.5 | -156.3 | -162.7 | 141.9 | 0 | 0 | 111.6 | P946 V947 L952 H953 R954 | P946-E950 PolarHBondContact O-N 3.25Å; V947-E950 PolarHBondContact O-N 2.98Å; E950-L952 PolarHBondContact O-N 3.22Å; E950-H953 PolarHBondContact O-N 2.94Å; E950-H953 VanDerWaalsContact O-N 3.15Å; E950-R954 WeakPolarHBondContact O-CG 3.13Å; E950-R954 PolarHBondContact O-N 3.28Å; E950-R954 IonicContact OE1-CZ 3.83Å; E950-R954 IonicContact OE1-NE 2.81Å; E950-R954 PolarHBondContact OE1-NE 2.65Å; E950-R954 IonicContact OE1-NH2 3.95Å; E950-R954 PolarHBondContact OE1-NH2 3.32Å |
| 951 | K | 79.9 | Confident | 76.1 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.3 | -45.3 | 172.3 | -72.8 | 172.9 | 178.7 | 175.7 | 0 | 111.6 | V947 M948 H953 R954 L955 | V947-K951 HydrophobicContact CG1-CD 4.43Å; V947-K951 WeakPolarHBondContact O-CG 3.38Å; V947-K951 PolarHBondContact O-N 3.22Å; M948-K951 PolarHBondContact O-N 2.94Å; M948-K951 HydrophobicContact SD-CD 4.03Å; K951-H953 VanDerWaalsContact C-N 3.34Å; K951-H953 PolarHBondContact O-N 2.82Å; K951-R954 PolarHBondContact O-N 2.87Å; K951-L955 VanDerWaalsContact O-CB 3.29Å; K951-L955 WeakPolarHBondContact O-CB 3.22Å; K951-L955 PolarHBondContact O-N 3.2Å |
| 952 | L | 78.7 | Confident | 77.5 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 30% | 0.298 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 174.2 | -78.5 | 167.5 | 0 | 0 | 0 | 112.4 | M948 N949 E950 R956 | M948-L952 WeakPolarHBondContact O-CB 3.49Å; M948-L952 VanDerWaalsContact O-CG 3.31Å; M948-L952 WeakPolarHBondContact O-CG 3.31Å; M948-L952 PolarHBondContact O-N 3.49Å; N949-L952 PolarHBondContact O-N 3.05Å; E950-L952 PolarHBondContact O-N 3.22Å; L952-R956 WeakPolarHBondContact O-CB 3.4Å; L952-R956 WeakPolarHBondContact O-CD 3.43Å; L952-R956 WeakPolarHBondContact O-CG 3.47Å; L952-R956 PolarHBondContact O-N 2.57Å |
| 953 | H | 80.8 | Confident | 78.9 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 176.9 | -173.3 | 27.7 | 0 | 0 | 0 | 111.7 | N949 E950 K951 L955 R956 I957 | N949-H953 WeakPolarHBondContact O-CB 3.43Å; N949-H953 PolarHBondContact O-N 3.24Å; E950-H953 PolarHBondContact O-N 2.94Å; E950-H953 VanDerWaalsContact O-N 3.15Å; K951-H953 VanDerWaalsContact C-N 3.34Å; K951-H953 PolarHBondContact O-N 2.82Å; H953-L955 PolarHBondContact O-N 2.98Å; H953-R956 PolarHBondContact O-N 3.36Å; H953-I957 WeakPolarHBondContact O-CG1 3.38Å; H953-I957 PolarHBondContact O-N 3.45Å |
| 954 | R | 80.9 | Confident | 79.7 | Confident | 154 Ų | 154 | 101.9 Ų | 101.9 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.7 | -44.7 | 173.9 | -68.2 | 173.8 | -178.8 | -135.6 | 8 | 111.3 | E950 K951 R956 I957 L958 | E950-R954 WeakPolarHBondContact O-CG 3.13Å; E950-R954 PolarHBondContact O-N 3.28Å; E950-R954 IonicContact OE1-CZ 3.83Å; E950-R954 IonicContact OE1-NE 2.81Å; E950-R954 PolarHBondContact OE1-NE 2.65Å; E950-R954 IonicContact OE1-NH2 3.95Å; E950-R954 PolarHBondContact OE1-NH2 3.32Å; K951-R954 PolarHBondContact O-N 2.87Å; R954-R956 PolarHBondContact O-N 2.71Å; R954-I957 PolarHBondContact O-N 2.78Å; R954-L958 WeakPolarHBondContact O-CG 3.25Å; R954-L958 PolarHBondContact O-N 3.32Å |
| 955 | L | 83 | Confident | 80.5 | Confident | 104 Ų | 104 | 98.8 Ų | 98.8 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.6 | -169.8 | 153.1 | 0 | 0 | 0 | 112.4 | K951 H953 L958 K959 | K951-L955 VanDerWaalsContact O-CB 3.29Å; K951-L955 WeakPolarHBondContact O-CB 3.22Å; K951-L955 PolarHBondContact O-N 3.2Å; H953-L955 PolarHBondContact O-N 2.98Å; L955-L958 PolarHBondContact O-N 2.79Å; L955-K959 WeakPolarHBondContact O-CB 3.35Å; L955-K959 PolarHBondContact O-N 3.35Å |
| 956 | R | 82.9 | Confident | 81.1 | Confident | 123 Ų | 123 | 100.9 Ų | 100.9 | 46% | 0.464 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 173.3 | -73.1 | 165.1 | -173.3 | -179.2 | 1.6 | 112.2 | L952 H953 R954 S960 | L952-R956 WeakPolarHBondContact O-CB 3.4Å; L952-R956 WeakPolarHBondContact O-CD 3.43Å; L952-R956 WeakPolarHBondContact O-CG 3.47Å; L952-R956 PolarHBondContact O-N 2.57Å; H953-R956 PolarHBondContact O-N 3.36Å; R954-R956 PolarHBondContact O-N 2.71Å; R956-S960 WeakPolarHBondContact O-CB 3.29Å; R956-S960 PolarHBondContact O-N 3.04Å |
| 957 | I | 83.8 | Confident | 81.7 | Confident | 88 Ų | 88 | 97.9 Ų | 97.9 | 45% | 0.451 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -52 | 173.7 | -66.9 | 162.9 | 0 | 0 | 0 | 109.4 | H953 R954 K959 S960 T961 | H953-I957 WeakPolarHBondContact O-CG1 3.38Å; H953-I957 PolarHBondContact O-N 3.45Å; R954-I957 PolarHBondContact O-N 2.78Å; I957-K959 PolarHBondContact O-N 3.43Å; I957-S960 WeakPolarHBondContact O-CB 3.28Å; I957-S960 PolarHBondContact O-N 3.39Å; I957-S960 VanDerWaalsContact O-N 3.1Å; I957-T961 PolarHBondContact O-N 2.98Å; I957-T961 PolarHBondContact O-OG1 3.21Å; I957-T961 VanDerWaalsContact O-OG1 3.08Å |
| 958 | L | 85.3 | Confident | 82.2 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 63% | 0.628 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.7 | -46.3 | 179.2 | -69.7 | 169.2 | 0 | 0 | 0 | 112.6 | R954 L955 S960 T961 L962 | R954-L958 WeakPolarHBondContact O-CG 3.25Å; R954-L958 PolarHBondContact O-N 3.32Å; L955-L958 PolarHBondContact O-N 2.79Å; L958-S960 VanDerWaalsContact C-N 3.29Å; L958-S960 PolarHBondContact O-N 3.26Å; L958-T961 PolarHBondContact O-N 3.03Å; L958-L962 VanDerWaalsContact O-CB 3.29Å; L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 PolarHBondContact O-N 2.74Å |
| 959 | K | 84.7 | Confident | 82.8 | Confident | 145 Ų | 145 | 96.2 Ų | 96.2 | 63% | 0.63 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -33.6 | 176.2 | -172.9 | 168.4 | -177.4 | 172.4 | 0 | 112.3 | L955 I957 K963 | L955-K959 WeakPolarHBondContact O-CB 3.35Å; L955-K959 PolarHBondContact O-N 3.35Å; I957-K959 PolarHBondContact O-N 3.43Å; K959-K963 WeakPolarHBondContact O-CB 3.35Å; K959-K963 PolarHBondContact O-N 3.01Å |
| 960 | S | 79.5 | Confident | 83 | Confident | 84 Ų | 84 | 97 Ų | 97 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.6 | -35 | 174.4 | -168.1 | 0 | 0 | 0 | 0 | 113 | R956 I957 L958 A964 | R956-S960 WeakPolarHBondContact O-CB 3.29Å; R956-S960 PolarHBondContact O-N 3.04Å; I957-S960 WeakPolarHBondContact O-CB 3.28Å; I957-S960 PolarHBondContact O-N 3.39Å; I957-S960 VanDerWaalsContact O-N 3.1Å; L958-S960 VanDerWaalsContact C-N 3.29Å; L958-S960 PolarHBondContact O-N 3.26Å; S960-A964 PolarHBondContact O-N 3.31Å |
| 961 | T | 86.8 | Confident | 83.3 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.7 | -43.1 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | I957 L958 A964 R965 | I957-T961 PolarHBondContact O-N 2.98Å; I957-T961 PolarHBondContact O-OG1 3.21Å; I957-T961 VanDerWaalsContact O-OG1 3.08Å; L958-T961 PolarHBondContact O-N 3.03Å; T961-A964 WeakPolarHBondContact O-CB 3.41Å; T961-A964 PolarHBondContact O-N 2.73Å; T961-A964 VanDerWaalsContact O-N 3.16Å; T961-R965 PolarHBondContact O-N 2.85Å |
| 962 | L | 86.3 | Confident | 83.4 | Confident | 98 Ų | 98 | 90.4 Ų | 90.4 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 174.5 | 178 | 140.8 | 0 | 0 | 0 | 110.8 | L958 A964 R965 E966 | L958-L962 VanDerWaalsContact O-CB 3.29Å; L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 PolarHBondContact O-N 2.74Å; L962-A964 VanDerWaalsContact C-N 3.25Å; L962-A964 PolarHBondContact O-N 3.1Å; L962-R965 PolarHBondContact O-N 3.36Å; L962-R965 VanDerWaalsContact O-N 3.15Å; L962-E966 VanDerWaalsContact CD2-CD 3.46Å; L962-E966 HydrophobicContact CD2-CG 4.2Å; L962-E966 VanDerWaalsContact CD2-OE1 3.29Å; L962-E966 WeakPolarHBondContact CD2-OE1 3.4Å; L962-E966 WeakPolarHBondContact O-CG 3.29Å; L962-E966 PolarHBondContact O-N 3.49Å |
| 963 | K | 87.4 | Confident | 83.6 | Confident | 154 Ų | 154 | 91.3 Ų | 91.3 | 67% | 0.67 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.8 | -25.9 | 176.3 | -176 | 163.4 | -177.6 | 165.4 | 0 | 114.5 | K959 E966 G967 | K959-K963 WeakPolarHBondContact O-CB 3.35Å; K959-K963 PolarHBondContact O-N 3.01Å; K963-E966 WeakPolarHBondContact CA-OE2 3.43Å; K963-G967 PolarHBondContact O-N 2.7Å |
| 964 | A | 79.9 | Confident | 83.6 | Confident | 47 Ų | 47 | 93.3 Ų | 93.3 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.5 | -50.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S960 T961 L962 E966 G967 E968 | S960-A964 PolarHBondContact O-N 3.31Å; T961-A964 WeakPolarHBondContact O-CB 3.41Å; T961-A964 PolarHBondContact O-N 2.73Å; T961-A964 VanDerWaalsContact O-N 3.16Å; L962-A964 VanDerWaalsContact C-N 3.25Å; L962-A964 PolarHBondContact O-N 3.1Å; A964-E966 VanDerWaalsContact C-N 3.35Å; A964-E966 PolarHBondContact O-N 2.88Å; A964-G967 PolarHBondContact O-N 2.75Å; A964-G967 VanDerWaalsContact O-N 3.09Å; A964-E968 WeakPolarHBondContact O-CG 3.38Å; A964-E968 PolarHBondContact O-N 2.82Å |
| 965 | R | 82.8 | Confident | 83.6 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 42% | 0.419 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 177.1 | -65.1 | -51.3 | -154.9 | -177.2 | 6.3 | 113 | T961 L962 G967 E968 V969 D999 | T961-R965 PolarHBondContact O-N 2.85Å; L962-R965 PolarHBondContact O-N 3.36Å; L962-R965 VanDerWaalsContact O-N 3.15Å; R965-G967 VanDerWaalsContact C-N 3.35Å; R965-G967 PolarHBondContact O-N 2.87Å; R965-E968 WeakPolarHBondContact CD-OE2 3.43Å; R965-E968 IonicContact CZ-OE2 2.79Å; R965-E968 IonicContact NE-OE2 3.45Å; R965-E968 IonicContact NH1-OE1 2.71Å; R965-E968 IonicContact NH1-OE2 3.36Å; R965-E968 PolarHBondContact NH1-OE2 3.48Å; R965-E968 PolarHBondContact O-N 2.89Å; R965-V969 WeakPolarHBondContact O-CG2 3.17Å; R965-V969 PolarHBondContact O-N 3.34Å; R965-D999 IonicContact CZ-OD2 2.71Å; R965-D999 IonicContact NH1-OD2 3.43Å; R965-D999 PolarHBondContact NH1-OD2 3.48Å; R965-D999 IonicContact NH2-OD2 3.2Å; R965-D999 PolarHBondContact NH2-OD2 2.85Å |
| 966 | E | 83.6 | Confident | 83.4 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 171.1 | -73.8 | 174 | 151.6 | 0 | 0 | 111.8 | L962 K963 A964 V969 A970 | L962-E966 VanDerWaalsContact CD2-CD 3.46Å; L962-E966 HydrophobicContact CD2-CG 4.2Å; L962-E966 VanDerWaalsContact CD2-OE1 3.29Å; L962-E966 WeakPolarHBondContact CD2-OE1 3.4Å; L962-E966 WeakPolarHBondContact O-CG 3.29Å; L962-E966 PolarHBondContact O-N 3.49Å; K963-E966 WeakPolarHBondContact CA-OE2 3.43Å; A964-E966 VanDerWaalsContact C-N 3.35Å; A964-E966 PolarHBondContact O-N 2.88Å; E966-V969 PolarHBondContact O-N 2.87Å; E966-A970 WeakPolarHBondContact O-CB 3.41Å; E966-A970 PolarHBondContact O-N 3.46Å |
| 967 | G | 83.8 | Confident | 83.4 | Confident | 33 Ų | 33 | 88.1 Ų | 88.1 | 34% | 0.34 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.7 | -34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K963 A964 R965 I971 | K963-G967 PolarHBondContact O-N 2.7Å; A964-G967 PolarHBondContact O-N 2.75Å; A964-G967 VanDerWaalsContact O-N 3.09Å; R965-G967 VanDerWaalsContact C-N 3.35Å; R965-G967 PolarHBondContact O-N 2.87Å; G967-I971 WeakPolarHBondContact O-CD1 3.45Å; G967-I971 VanDerWaalsContact O-CG1 3.26Å; G967-I971 WeakPolarHBondContact O-CG1 3.44Å; G967-I971 PolarHBondContact O-N 3.26Å |
| 968 | E | 86.2 | Confident | 83.1 | Confident | 52 Ų | 52 | 87.8 Ų | 87.8 | 24% | 0.243 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 174.6 | -69.9 | 161.9 | -158.1 | 0 | 0 | 112 | A964 R965 A970 I971 I972 L996 | A964-E968 WeakPolarHBondContact O-CG 3.38Å; A964-E968 PolarHBondContact O-N 2.82Å; R965-E968 WeakPolarHBondContact CD-OE2 3.43Å; R965-E968 IonicContact CZ-OE2 2.79Å; R965-E968 IonicContact NE-OE2 3.45Å; R965-E968 IonicContact NH1-OE1 2.71Å; R965-E968 IonicContact NH1-OE2 3.36Å; R965-E968 PolarHBondContact NH1-OE2 3.48Å; R965-E968 PolarHBondContact O-N 2.89Å; E968-A970 PolarHBondContact O-N 3.05Å; E968-I971 WeakPolarHBondContact O-CB 3.38Å; E968-I971 PolarHBondContact O-N 3.13Å; E968-I971 VanDerWaalsContact O-N 3.12Å; E968-I972 WeakPolarHBondContact O-CG1 3.48Å; E968-I972 PolarHBondContact O-N 3.47Å; E968-L996 HydrophobicContact CB-CD1 3.84Å; E968-L996 HydrophobicContact CB-CD2 4.03Å; E968-L996 HydrophobicContact CG-CD1 3.98Å; E968-L996 HydrophobicContact CG-CD2 4.28Å |
| 969 | V | 84.3 | Confident | 82.3 | Confident | 75 Ų | 75 | 88 Ų | 88 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | R965 E966 I971 I972 D973 | R965-V969 WeakPolarHBondContact O-CG2 3.17Å; R965-V969 PolarHBondContact O-N 3.34Å; E966-V969 PolarHBondContact O-N 2.87Å; V969-I971 PolarHBondContact O-N 2.78Å; V969-I971 VanDerWaalsContact O-N 3.14Å; V969-I972 WeakPolarHBondContact O-CA 3.37Å; V969-I972 WeakPolarHBondContact O-CB 3.43Å; V969-I972 PolarHBondContact O-N 2.87Å; V969-D973 WeakPolarHBondContact CG1-OD2 3.26Å; V969-D973 PolarHBondContact O-N 2.87Å |
| 970 | A | 85.1 | Confident | 82 | Confident | 56 Ų | 56 | 87.8 Ų | 87.8 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -21.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E966 E968 K974 | E966-A970 WeakPolarHBondContact O-CB 3.41Å; E966-A970 PolarHBondContact O-N 3.46Å; E968-A970 PolarHBondContact O-N 3.05Å; A970-K974 VanDerWaalsContact O-CB 3.23Å; A970-K974 WeakPolarHBondContact O-CB 3.49Å; A970-K974 PolarHBondContact O-N 3.12Å |
| 971 | I | 84.1 | Confident | 82 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 26% | 0.256 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -80.3 | -26.5 | 172.7 | -72.4 | 161.5 | 0 | 0 | 0 | 111.7 | G967 E968 V969 W989 Y993 L996 | G967-I971 WeakPolarHBondContact O-CD1 3.45Å; G967-I971 VanDerWaalsContact O-CG1 3.26Å; G967-I971 WeakPolarHBondContact O-CG1 3.44Å; G967-I971 PolarHBondContact O-N 3.26Å; E968-I971 WeakPolarHBondContact O-CB 3.38Å; E968-I971 PolarHBondContact O-N 3.13Å; E968-I971 VanDerWaalsContact O-N 3.12Å; V969-I971 PolarHBondContact O-N 2.78Å; V969-I971 VanDerWaalsContact O-N 3.14Å; I971-W989 HydrophobicContact CG2-CZ2 4.23Å; I971-W989 PolarHBondContact O-NE1 3.3Å; I971-Y993 HydrophobicContact CD1-CD1 4.33Å; I971-Y993 HydrophobicContact CD1-CE1 3.82Å; I971-Y993 HydrophobicContact CG1-CE1 4.34Å; I971-Y993 HydrophobicContact CG2-CD1 3.78Å; I971-Y993 HydrophobicContact CG2-CD2 3.97Å; I971-Y993 HydrophobicContact CG2-CE1 3.76Å; I971-Y993 HydrophobicContact CG2-CE2 3.96Å; I971-Y993 HydrophobicContact CG2-CG 3.88Å; I971-L996 HydrophobicContact CG2-CD2 4.18Å |
| 972 | I | 82.6 | Confident | 81.8 | Confident | 41 Ų | 41 | 86.4 Ų | 86.4 | 21% | 0.21 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -81.3 | -51.5 | 175.9 | -60.6 | 160.6 | 0 | 0 | 0 | 109.9 | E968 V969 K974 V975 L976 W989 L996 I1000 | E968-I972 WeakPolarHBondContact O-CG1 3.48Å; E968-I972 PolarHBondContact O-N 3.47Å; V969-I972 WeakPolarHBondContact O-CA 3.37Å; V969-I972 WeakPolarHBondContact O-CB 3.43Å; V969-I972 PolarHBondContact O-N 2.87Å; I972-K974 VanDerWaalsContact C-N 3.28Å; I972-K974 PolarHBondContact O-N 3.09Å; I972-V975 WeakPolarHBondContact O-CA 3.33Å; I972-V975 WeakPolarHBondContact O-CB 3.48Å; I972-V975 PolarHBondContact O-N 3.44Å; I972-L976 HydrophobicContact CG2-CD1 3.91Å; I972-L976 HydrophobicContact CG2-CG 4.34Å; I972-L976 PolarHBondContact O-N 3.22Å; I972-L976 VanDerWaalsContact O-N 3.12Å; I972-W989 HydrophobicContact CG1-CH2 4.45Å; I972-W989 HydrophobicContact CG1-CZ2 4.16Å; I972-L996 HydrophobicContact CD1-CD2 4.45Å; I972-L996 HydrophobicContact CG1-CD2 4.23Å; I972-I1000 HydrophobicContact CD1-CD1 3.59Å; I972-I1000 HydrophobicContact CD1-CG1 4.3Å; I972-I1000 HydrophobicContact CG1-CD1 4.01Å |
| 973 | D | 82.9 | Confident | 81.4 | Confident | 76 Ų | 76 | 86 Ų | 86 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55 | -45.6 | 178.7 | -68.3 | -15.8 | 0 | 0 | 0 | 110.6 | V969 V975 L976 D977 | V969-D973 WeakPolarHBondContact CG1-OD2 3.26Å; V969-D973 PolarHBondContact O-N 2.87Å; D973-V975 PolarHBondContact O-N 3.41Å; D973-L976 CarbonylContact O-C 3.58Å; D973-L976 PolarHBondContact O-N 2.9Å; D973-D977 WeakPolarHBondContact O-CB 3.23Å; D973-D977 VanDerWaalsContact O-CG 3.31Å; D973-D977 PolarHBondContact O-N 3.43Å |
| 974 | K | 80.8 | Confident | 81.1 | Confident | 158 Ų | 158 | 85.5 Ų | 85.5 | 69% | 0.687 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.2 | -18.2 | 176 | -179.8 | 168.3 | -178.9 | 179.1 | 0 | 114.6 | A970 I972 N978 | A970-K974 VanDerWaalsContact O-CB 3.23Å; A970-K974 WeakPolarHBondContact O-CB 3.49Å; A970-K974 PolarHBondContact O-N 3.12Å; I972-K974 VanDerWaalsContact C-N 3.28Å; I972-K974 PolarHBondContact O-N 3.09Å; K974-N978 PolarHBondContact O-ND2 3.01Å |
| 975 | V | 80.8 | Confident | 81 | Confident | 16 Ų | 16 | 88 Ų | 88 | 10% | 0.097 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -88.8 | -43.3 | 171 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | I972 D973 D977 N978 L981 F986 W989 | I972-V975 WeakPolarHBondContact O-CA 3.33Å; I972-V975 WeakPolarHBondContact O-CB 3.48Å; I972-V975 PolarHBondContact O-N 3.44Å; D973-V975 PolarHBondContact O-N 3.41Å; V975-D977 VanDerWaalsContact C-N 3.29Å; V975-D977 PolarHBondContact O-N 2.84Å; V975-N978 PolarHBondContact O-N 3.38Å; V975-N978 PolarHBondContact O-ND2 3.43Å; V975-L981 HydrophobicContact CG1-CD1 4.06Å; V975-L981 HydrophobicContact CG1-CD2 3.44Å; V975-L981 VanDerWaalsContact CG1-CD2 3.44Å; V975-L981 HydrophobicContact CG1-CG 4.41Å; V975-F986 HydrophobicContact CG1-CD2 4.32Å; V975-W989 HydrophobicContact CG2-CB 4.41Å; V975-W989 HydrophobicContact CG2-CD2 3.84Å; V975-W989 HydrophobicContact CG2-CG 3.62Å; V975-W989 HydrophobicContact CG2-CZ2 4.47Å; V975-W989 VanDerWaalsContact CG2-NE1 3.28Å |
| 976 | L | 77.9 | Confident | 80.9 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 66% | 0.66 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.8 | -29.7 | 179.3 | -61.1 | 176.4 | 0 | 0 | 0 | 113 | I972 D973 N978 | I972-L976 HydrophobicContact CG2-CD1 3.91Å; I972-L976 HydrophobicContact CG2-CG 4.34Å; I972-L976 PolarHBondContact O-N 3.22Å; I972-L976 VanDerWaalsContact O-N 3.12Å; D973-L976 CarbonylContact O-C 3.58Å; D973-L976 PolarHBondContact O-N 2.9Å; L976-N978 PolarHBondContact O-N 3.1Å |
| 977 | D | 82.1 | Confident | 80.7 | Confident | 129 Ų | 129 | 87 Ų | 87 | 69% | 0.69 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.5 | 176.5 | -74.7 | -25.6 | 0 | 0 | 0 | 114.1 | D973 V975 P979 | D973-D977 WeakPolarHBondContact O-CB 3.23Å; D973-D977 VanDerWaalsContact O-CG 3.31Å; D973-D977 PolarHBondContact O-N 3.43Å; V975-D977 VanDerWaalsContact C-N 3.29Å; V975-D977 PolarHBondContact O-N 2.84Å; D977-P979 VanDerWaalsContact O-CD 3.32Å; D977-P979 WeakPolarHBondContact O-CD 3.37Å |
| 978 | N | 78.4 | Confident | 80.5 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | trans | -96.3 | 106.4 | 177.4 | -47.8 | -84 | 0 | 0 | 0 | 110.1 | K974 V975 L976 D980 L981 | K974-N978 PolarHBondContact O-ND2 3.01Å; V975-N978 PolarHBondContact O-N 3.38Å; V975-N978 PolarHBondContact O-ND2 3.43Å; L976-N978 PolarHBondContact O-N 3.1Å; N978-D980 VanDerWaalsContact C-N 3.25Å; N978-D980 PolarHBondContact O-N 2.86Å; N978-L981 HydrophobicContact CB-CB 4.41Å; N978-L981 PolarHBondContact O-N 3.42Å | ||
| 979 | P | 69.2 | Low | 80.4 | Confident | 123 Ų | 123 | 89.7 Ų | 89.7 | 80% | 0.799 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.4 | -177.4 | 26.8 | -35.1 | 0 | 0 | 0 | 113.4 | D977 | D977-P979 VanDerWaalsContact O-CD 3.32Å; D977-P979 WeakPolarHBondContact O-CD 3.37Å |
| 980 | D | 78.4 | Confident | 80.2 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 76% | 0.759 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 18.5 | -176.2 | -59.9 | -56.2 | 0 | 0 | 0 | 113.8 | N978 T982 | N978-D980 VanDerWaalsContact C-N 3.25Å; N978-D980 PolarHBondContact O-N 2.86Å; D980-T982 PolarHBondContact O-N 2.93Å; D980-T982 VanDerWaalsContact O-N 3.09Å |
| 981 | L | 79.4 | Confident | 79.9 | Confident | 65 Ų | 65 | 94 Ų | 94 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | trans | -50.9 | 112.4 | -172.9 | 180 | 70.2 | 0 | 0 | 0 | 113.2 | V975 N978 E985 F986 | V975-L981 HydrophobicContact CG1-CD1 4.06Å; V975-L981 HydrophobicContact CG1-CD2 3.44Å; V975-L981 VanDerWaalsContact CG1-CD2 3.44Å; V975-L981 HydrophobicContact CG1-CG 4.41Å; N978-L981 HydrophobicContact CB-CB 4.41Å; N978-L981 PolarHBondContact O-N 3.42Å; L981-E985 HydrophobicContact CD1-CB 4.16Å; L981-F986 HydrophobicContact CD2-CB 4.28Å; L981-F986 HydrophobicContact CD2-CD2 4.18Å; L981-F986 HydrophobicContact CG-CB 4.43Å | ||
| 982 | T | 81.6 | Confident | 79.8 | Confident | 68 Ų | 68 | 98.3 Ų | 98.3 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | trans | -81.1 | 152.1 | -178.2 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | D980 K984 E985 F986 | D980-T982 PolarHBondContact O-N 2.93Å; D980-T982 VanDerWaalsContact O-N 3.09Å; T982-K984 PolarHBondContact O-N 2.93Å; T982-K984 VanDerWaalsContact O-N 3.1Å; T982-E985 VanDerWaalsContact CB-OE2 3.25Å; T982-E985 WeakPolarHBondContact CB-OE2 3.41Å; T982-E985 VanDerWaalsContact CG2-OE2 3.31Å; T982-E985 WeakPolarHBondContact CG2-OE2 3.3Å; T982-E985 PolarHBondContact N-OE2 3.25Å; T982-E985 PolarHBondContact O-N 2.81Å; T982-E985 VanDerWaalsContact OG1-CD 3.23Å; T982-E985 WeakPolarHBondContact OG1-CG 3.29Å; T982-E985 PolarHBondContact OG1-N 3.01Å; T982-E985 PolarHBondContact OG1-OE2 3.48Å; T982-F986 PolarHBondContact O-N 3.07Å | ||
| 983 | S | 78.4 | Confident | 79.8 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -54.2 | -33.1 | 177.3 | -174.5 | 0 | 0 | 0 | 0 | 113.2 | Q987 | S983-Q987 WeakPolarHBondContact O-CB 3.31Å; S983-Q987 VanDerWaalsContact O-CG 3.27Å; S983-Q987 WeakPolarHBondContact O-CG 3.34Å; S983-Q987 PolarHBondContact O-N 3.27Å |
| 984 | K | 80.1 | Confident | 79.7 | Confident | 145 Ų | 145 | 99.9 Ų | 99.9 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.1 | -39.7 | 178.3 | -173.1 | -179.1 | 178.2 | -174.1 | 0 | 112.2 | T982 Q987 Q988 | T982-K984 PolarHBondContact O-N 2.93Å; T982-K984 VanDerWaalsContact O-N 3.1Å; K984-Q987 PolarHBondContact O-N 3.48Å; K984-Q988 WeakPolarHBondContact O-CG 3.38Å; K984-Q988 PolarHBondContact O-N 2.88Å |
| 985 | E | 77.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.8 | -41 | 177 | -70.1 | 156.3 | 146.1 | 0 | 0 | 110.8 | L981 T982 Q987 Q988 W989 | L981-E985 HydrophobicContact CD1-CB 4.16Å; T982-E985 VanDerWaalsContact CB-OE2 3.25Å; T982-E985 WeakPolarHBondContact CB-OE2 3.41Å; T982-E985 VanDerWaalsContact CG2-OE2 3.31Å; T982-E985 WeakPolarHBondContact CG2-OE2 3.3Å; T982-E985 PolarHBondContact N-OE2 3.25Å; T982-E985 PolarHBondContact O-N 2.81Å; T982-E985 VanDerWaalsContact OG1-CD 3.23Å; T982-E985 WeakPolarHBondContact OG1-CG 3.29Å; T982-E985 PolarHBondContact OG1-N 3.01Å; T982-E985 PolarHBondContact OG1-OE2 3.48Å; E985-Q987 PolarHBondContact O-N 2.96Å; E985-Q988 PolarHBondContact O-N 3.15Å; E985-W989 PolarHBondContact O-N 3.35Å |
| 986 | F | 82.2 | Confident | 79.5 | Confident | 76 Ų | 76 | 99 Ų | 99 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 172.4 | -175.3 | -106.9 | 0 | 0 | 0 | 112.4 | V975 L981 T982 W989 K990 F997 | V975-F986 HydrophobicContact CG1-CD2 4.32Å; L981-F986 HydrophobicContact CD2-CB 4.28Å; L981-F986 HydrophobicContact CD2-CD2 4.18Å; L981-F986 HydrophobicContact CG-CB 4.43Å; T982-F986 PolarHBondContact O-N 3.07Å; F986-W989 HydrophobicContact CD2-CE3 4.12Å; F986-W989 AromaticContact CE2-CE3 3.8Å; F986-W989 HydrophobicContact CE2-CE3 3.8Å; F986-W989 AromaticContact CE2-CZ3 3.83Å; F986-W989 HydrophobicContact CE2-CZ3 3.83Å; F986-W989 HydrophobicContact CZ-CZ3 4.41Å; F986-W989 PolarHBondContact O-N 2.94Å; F986-K990 VanDerWaalsContact O-CB 3.23Å; F986-K990 WeakPolarHBondContact O-CB 3.43Å; F986-K990 PolarHBondContact O-N 3.27Å; F986-F997 AromaticContact CZ-CE2 3.99Å; F986-F997 HydrophobicContact CZ-CE2 3.99Å |
| 987 | Q | 77.9 | Confident | 79.4 | Confident | 126 Ų | 126 | 94.9 Ų | 94.9 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 171.5 | -79.5 | 178.1 | 7.8 | 0 | 0 | 112.1 | S983 K984 E985 Q991 | S983-Q987 WeakPolarHBondContact O-CB 3.31Å; S983-Q987 VanDerWaalsContact O-CG 3.27Å; S983-Q987 WeakPolarHBondContact O-CG 3.34Å; S983-Q987 PolarHBondContact O-N 3.27Å; K984-Q987 PolarHBondContact O-N 3.48Å; E985-Q987 PolarHBondContact O-N 2.96Å; Q987-Q991 VanDerWaalsContact O-CB 3.28Å; Q987-Q991 WeakPolarHBondContact O-CB 3.2Å; Q987-Q991 PolarHBondContact O-N 3.01Å |
| 988 | Q | 80 | Confident | 79.3 | Confident | 111 Ų | 111 | 92.5 Ų | 92.5 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 176.5 | -75 | 179.4 | -8.4 | 0 | 0 | 112.2 | K984 E985 Q991 M992 | K984-Q988 WeakPolarHBondContact O-CG 3.38Å; K984-Q988 PolarHBondContact O-N 2.88Å; E985-Q988 PolarHBondContact O-N 3.15Å; Q988-Q991 PolarHBondContact O-N 3.16Å; Q988-M992 WeakPolarHBondContact O-CG 3.38Å; Q988-M992 PolarHBondContact O-N 3.04Å |
| 989 | W | 84.8 | Confident | 79.3 | Confident | 31 Ų | 31 | 90.9 Ų | 90.9 | 12% | 0.117 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.6 | -48 | 173.7 | 177.6 | 89.7 | 0 | 0 | 0 | 111.3 | I971 I972 V975 E985 F986 Q991 M992 Y993 F997 | I971-W989 HydrophobicContact CG2-CZ2 4.23Å; I971-W989 PolarHBondContact O-NE1 3.3Å; I972-W989 HydrophobicContact CG1-CH2 4.45Å; I972-W989 HydrophobicContact CG1-CZ2 4.16Å; V975-W989 HydrophobicContact CG2-CB 4.41Å; V975-W989 HydrophobicContact CG2-CD2 3.84Å; V975-W989 HydrophobicContact CG2-CG 3.62Å; V975-W989 HydrophobicContact CG2-CZ2 4.47Å; V975-W989 VanDerWaalsContact CG2-NE1 3.28Å; E985-W989 PolarHBondContact O-N 3.35Å; F986-W989 HydrophobicContact CD2-CE3 4.12Å; F986-W989 AromaticContact CE2-CE3 3.8Å; F986-W989 HydrophobicContact CE2-CE3 3.8Å; F986-W989 AromaticContact CE2-CZ3 3.83Å; F986-W989 HydrophobicContact CE2-CZ3 3.83Å; F986-W989 HydrophobicContact CZ-CZ3 4.41Å; F986-W989 PolarHBondContact O-N 2.94Å; W989-Q991 PolarHBondContact O-N 3.05Å; W989-M992 PolarHBondContact O-N 3.37Å; W989-M992 VanDerWaalsContact O-N 3.09Å; W989-Y993 AromaticContact CD1-CD2 3.29Å; W989-Y993 AromaticContact CD1-CE2 3.56Å; W989-Y993 HydrophobicContact CD2-CD2 4.25Å; W989-Y993 AromaticContact CE2-CD2 3.98Å; W989-Y993 AromaticContact CG-CD2 3.86Å; W989-Y993 HydrophobicContact CG-CD2 3.86Å; W989-Y993 HydrophobicContact CG-CE2 4.43Å; W989-Y993 AromaticContact NE1-CD2 3.37Å; W989-Y993 AromaticContact NE1-CE2 3.79Å; W989-Y993 WeakPolarHBondContact O-CD2 3.44Å; W989-Y993 PolarHBondContact O-N 3.28Å; W989-F997 HydrophobicContact CZ3-CD2 4.03Å |
| 990 | K | 79.7 | Confident | 79.5 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 34% | 0.339 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.7 | -32.8 | 174.9 | 176.1 | 171.1 | 173.7 | 169.1 | 0 | 112.6 | F986 L994 F997 | F986-K990 VanDerWaalsContact O-CB 3.23Å; F986-K990 WeakPolarHBondContact O-CB 3.43Å; F986-K990 PolarHBondContact O-N 3.27Å; K990-L994 HydrophobicContact CG-CD1 4.25Å; K990-L994 WeakPolarHBondContact O-CA 3.34Å; K990-L994 VanDerWaalsContact O-CB 3.3Å; K990-L994 WeakPolarHBondContact O-CB 3.45Å; K990-L994 WeakPolarHBondContact O-CD1 3.4Å; K990-L994 PolarHBondContact O-N 3.4Å; K990-F997 HydrophobicContact CD-CD1 4.01Å; K990-F997 HydrophobicContact CD-CD2 4.25Å; K990-F997 HydrophobicContact CD-CE1 3.89Å; K990-F997 HydrophobicContact CD-CE2 4.12Å; K990-F997 HydrophobicContact CD-CG 4.2Å; K990-F997 HydrophobicContact CD-CZ 3.95Å; K990-F997 HydrophobicContact CG-CB 4.49Å; K990-F997 HydrophobicContact CG-CD1 4.1Å; K990-F997 HydrophobicContact CG-CD2 4.26Å; K990-F997 HydrophobicContact CG-CE1 4.49Å; K990-F997 HydrophobicContact CG-CG 3.99Å |
| 991 | Q | 79.1 | Confident | 79.3 | Confident | 144 Ų | 144 | 83.2 Ų | 83.2 | 67% | 0.673 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -74.8 | -33 | 176.1 | -167.9 | 65 | 71.8 | 0 | 0 | 112.5 | Q987 Q988 W989 | Q987-Q991 VanDerWaalsContact O-CB 3.28Å; Q987-Q991 WeakPolarHBondContact O-CB 3.2Å; Q987-Q991 PolarHBondContact O-N 3.01Å; Q988-Q991 PolarHBondContact O-N 3.16Å; W989-Q991 PolarHBondContact O-N 3.05Å |
| 992 | M | 81.8 | Confident | 78.9 | Confident | 141 Ų | 141 | 86 Ų | 86 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -80.7 | -33.8 | 178.3 | -74 | -178.9 | 61 | 0 | 0 | 113.6 | Q988 W989 | Q988-M992 WeakPolarHBondContact O-CG 3.38Å; Q988-M992 PolarHBondContact O-N 3.04Å; W989-M992 PolarHBondContact O-N 3.37Å; W989-M992 VanDerWaalsContact O-N 3.09Å |
| 993 | Y | 83.3 | Confident | 78 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -117.1 | 35.4 | -176.6 | -58.4 | -77 | 0 | 0 | 0 | 111.5 | I971 W989 D995 L996 F997 | I971-Y993 HydrophobicContact CD1-CD1 4.33Å; I971-Y993 HydrophobicContact CD1-CE1 3.82Å; I971-Y993 HydrophobicContact CG1-CE1 4.34Å; I971-Y993 HydrophobicContact CG2-CD1 3.78Å; I971-Y993 HydrophobicContact CG2-CD2 3.97Å; I971-Y993 HydrophobicContact CG2-CE1 3.76Å; I971-Y993 HydrophobicContact CG2-CE2 3.96Å; I971-Y993 HydrophobicContact CG2-CG 3.88Å; W989-Y993 AromaticContact CD1-CD2 3.29Å; W989-Y993 AromaticContact CD1-CE2 3.56Å; W989-Y993 HydrophobicContact CD2-CD2 4.25Å; W989-Y993 AromaticContact CE2-CD2 3.98Å; W989-Y993 AromaticContact CG-CD2 3.86Å; W989-Y993 HydrophobicContact CG-CD2 3.86Å; W989-Y993 HydrophobicContact CG-CE2 4.43Å; W989-Y993 AromaticContact NE1-CD2 3.37Å; W989-Y993 AromaticContact NE1-CE2 3.79Å; W989-Y993 WeakPolarHBondContact O-CD2 3.44Å; W989-Y993 PolarHBondContact O-N 3.28Å; Y993-D995 VanDerWaalsContact C-N 3.3Å; Y993-D995 PolarHBondContact O-N 2.84Å; Y993-L996 WeakPolarHBondContact O-CB 3.12Å; Y993-L996 PolarHBondContact O-N 3.07Å; Y993-L996 VanDerWaalsContact O-N 3.1Å; Y993-F997 PolarHBondContact O-N 3.28Å |
| 994 | L | 80.2 | Confident | 76.9 | Confident | 66 Ų | 66 | 86.7 Ų | 86.7 | 35% | 0.346 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58 | -39.3 | -172 | -172.4 | 62.2 | 0 | 0 | 0 | 113.2 | K990 F997 L998 | K990-L994 HydrophobicContact CG-CD1 4.25Å; K990-L994 WeakPolarHBondContact O-CA 3.34Å; K990-L994 VanDerWaalsContact O-CB 3.3Å; K990-L994 WeakPolarHBondContact O-CB 3.45Å; K990-L994 WeakPolarHBondContact O-CD1 3.4Å; K990-L994 PolarHBondContact O-N 3.4Å; L994-F997 PolarHBondContact O-N 3.06Å; L994-L998 HydrophobicContact CG-CD1 4.11Å; L994-L998 WeakPolarHBondContact O-CB 3.37Å; L994-L998 VanDerWaalsContact O-CG 3.27Å; L994-L998 WeakPolarHBondContact O-CG 3.03Å; L994-L998 PolarHBondContact O-N 3Å |
| 995 | D | 77.5 | Confident | 75.5 | Confident | 134 Ų | 134 | 85.6 Ų | 85.6 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 178 | -61.9 | -27.2 | 0 | 0 | 0 | 111.8 | Y993 L998 D999 | Y993-D995 VanDerWaalsContact C-N 3.3Å; Y993-D995 PolarHBondContact O-N 2.84Å; D995-L998 PolarHBondContact O-N 3.36Å; D995-D999 PolarHBondContact O-N 3.16Å |
| 996 | L | 79.9 | Confident | 74.1 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 11% | 0.11 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.7 | 175.4 | 59.3 | 0 | 0 | 0 | 110.8 | E968 I971 I972 Y993 L998 D999 I1000 | E968-L996 HydrophobicContact CB-CD1 3.84Å; E968-L996 HydrophobicContact CB-CD2 4.03Å; E968-L996 HydrophobicContact CG-CD1 3.98Å; E968-L996 HydrophobicContact CG-CD2 4.28Å; I971-L996 HydrophobicContact CG2-CD2 4.18Å; I972-L996 HydrophobicContact CD1-CD2 4.45Å; I972-L996 HydrophobicContact CG1-CD2 4.23Å; Y993-L996 WeakPolarHBondContact O-CB 3.12Å; Y993-L996 PolarHBondContact O-N 3.07Å; Y993-L996 VanDerWaalsContact O-N 3.1Å; L996-L998 VanDerWaalsContact C-N 3.3Å; L996-L998 PolarHBondContact O-N 2.85Å; L996-D999 PolarHBondContact O-N 2.92Å; L996-I1000 HydrophobicContact CD1-CD1 4.18Å; L996-I1000 HydrophobicContact CD1-CG1 4.27Å; L996-I1000 HydrophobicContact CG-CD1 4.01Å; L996-I1000 WeakPolarHBondContact O-CD1 3.34Å; L996-I1000 VanDerWaalsContact O-CG1 3.23Å; L996-I1000 WeakPolarHBondContact O-CG1 3.23Å; L996-I1000 PolarHBondContact O-N 2.89Å |
| 997 | F | 76.5 | Confident | 71.9 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 17% | 0.171 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 174.5 | -177.6 | -91.1 | 0 | 0 | 0 | 111.9 | F986 W989 K990 Y993 L994 I1000 C1001 | F986-F997 AromaticContact CZ-CE2 3.99Å; F986-F997 HydrophobicContact CZ-CE2 3.99Å; W989-F997 HydrophobicContact CZ3-CD2 4.03Å; K990-F997 HydrophobicContact CD-CD1 4.01Å; K990-F997 HydrophobicContact CD-CD2 4.25Å; K990-F997 HydrophobicContact CD-CE1 3.89Å; K990-F997 HydrophobicContact CD-CE2 4.12Å; K990-F997 HydrophobicContact CD-CG 4.2Å; K990-F997 HydrophobicContact CD-CZ 3.95Å; K990-F997 HydrophobicContact CG-CB 4.49Å; K990-F997 HydrophobicContact CG-CD1 4.1Å; K990-F997 HydrophobicContact CG-CD2 4.26Å; K990-F997 HydrophobicContact CG-CE1 4.49Å; K990-F997 HydrophobicContact CG-CG 3.99Å; Y993-F997 PolarHBondContact O-N 3.28Å; L994-F997 PolarHBondContact O-N 3.06Å; F997-I1000 PolarHBondContact O-N 3.46Å; F997-C1001 WeakPolarHBondContact CE1-SG 3.42Å; F997-C1001 PolarHBondContact O-N 3.23Å; F997-C1001 PolarHBondContact O-SG 3.42Å |
| 998 | L | 79.6 | Confident | 70 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 42% | 0.419 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.9 | -35.2 | 177.5 | -72.4 | 170.3 | 0 | 0 | 0 | 113 | L994 D995 L996 Q1002 | L994-L998 HydrophobicContact CG-CD1 4.11Å; L994-L998 WeakPolarHBondContact O-CB 3.37Å; L994-L998 VanDerWaalsContact O-CG 3.27Å; L994-L998 WeakPolarHBondContact O-CG 3.03Å; L994-L998 PolarHBondContact O-N 3Å; D995-L998 PolarHBondContact O-N 3.36Å; L996-L998 VanDerWaalsContact C-N 3.3Å; L996-L998 PolarHBondContact O-N 2.85Å; L998-Q1002 WeakPolarHBondContact O-CB 3.48Å; L998-Q1002 WeakPolarHBondContact O-CG 3.44Å; L998-Q1002 PolarHBondContact O-N 2.89Å; L998-Q1002 PolarHBondContact O-NE2 3.05Å |
| 999 | D | 77.4 | Confident | 68.6 | Low | 48 Ų | 48 | 88.1 Ų | 88.1 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 172.8 | -167.4 | 28.7 | 0 | 0 | 0 | 110.6 | R965 D995 L996 C1001 Q1002 N1003 | R965-D999 IonicContact CZ-OD2 2.71Å; R965-D999 IonicContact NH1-OD2 3.43Å; R965-D999 PolarHBondContact NH1-OD2 3.48Å; R965-D999 IonicContact NH2-OD2 3.2Å; R965-D999 PolarHBondContact NH2-OD2 2.85Å; D995-D999 PolarHBondContact O-N 3.16Å; L996-D999 PolarHBondContact O-N 2.92Å; D999-C1001 PolarHBondContact O-N 3.15Å; D999-Q1002 PolarHBondContact O-N 3.3Å; D999-N1003 PolarHBondContact O-N 2.89Å; D999-N1003 PolarHBondContact O-ND2 3.43Å; D999-N1003 PolarHBondContact OD1-ND2 3.28Å |
| 1000 | I | 74.4 | Confident | 66.6 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 29% | 0.292 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.4 | -51.6 | 171.9 | -66 | 161.3 | 0 | 0 | 0 | 110.3 | I972 L996 F997 Q1002 N1003 T1004 | I972-I1000 HydrophobicContact CD1-CD1 3.59Å; I972-I1000 HydrophobicContact CD1-CG1 4.3Å; I972-I1000 HydrophobicContact CG1-CD1 4.01Å; L996-I1000 HydrophobicContact CD1-CD1 4.18Å; L996-I1000 HydrophobicContact CD1-CG1 4.27Å; L996-I1000 HydrophobicContact CG-CD1 4.01Å; L996-I1000 WeakPolarHBondContact O-CD1 3.34Å; L996-I1000 VanDerWaalsContact O-CG1 3.23Å; L996-I1000 WeakPolarHBondContact O-CG1 3.23Å; L996-I1000 PolarHBondContact O-N 2.89Å; F997-I1000 PolarHBondContact O-N 3.46Å; I1000-Q1002 VanDerWaalsContact C-N 3.33Å; I1000-Q1002 PolarHBondContact O-N 3.02Å; I1000-N1003 PolarHBondContact O-N 3.49Å; I1000-T1004 HydrophobicContact CG2-CG2 4.47Å; I1000-T1004 PolarHBondContact O-N 2.98Å; I1000-T1004 PolarHBondContact O-OG1 2.86Å |
| 1001 | C | 74.5 | Confident | 64.9 | Low | 47 Ų | 47 | 96.6 Ų | 96.6 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | 178.9 | -72.1 | 0 | 0 | 0 | 0 | 112.7 | F997 D999 T1004 T1005 | F997-C1001 WeakPolarHBondContact CE1-SG 3.42Å; F997-C1001 PolarHBondContact O-N 3.23Å; F997-C1001 PolarHBondContact O-SG 3.42Å; D999-C1001 PolarHBondContact O-N 3.15Å; C1001-T1004 WeakPolarHBondContact CA-OG1 3.28Å; C1001-T1004 PolarHBondContact O-N 3.47Å; C1001-T1004 PolarHBondContact O-OG1 2.66Å; C1001-T1005 PolarHBondContact O-N 2.87Å; C1001-T1005 PolarHBondContact O-OG1 2.92Å |
| 1002 | Q | 70 | Confident | 62.9 | Low | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -42.5 | 178.8 | -77.4 | 166.2 | 86.7 | 0 | 0 | 112.2 | L998 D999 I1000 T1004 T1005 | L998-Q1002 WeakPolarHBondContact O-CB 3.48Å; L998-Q1002 WeakPolarHBondContact O-CG 3.44Å; L998-Q1002 PolarHBondContact O-N 2.89Å; L998-Q1002 PolarHBondContact O-NE2 3.05Å; D999-Q1002 PolarHBondContact O-N 3.3Å; I1000-Q1002 VanDerWaalsContact C-N 3.33Å; I1000-Q1002 PolarHBondContact O-N 3.02Å; Q1002-T1004 VanDerWaalsContact C-N 3.35Å; Q1002-T1004 PolarHBondContact O-N 3.26Å; Q1002-T1005 WeakPolarHBondContact CA-OG1 3.24Å; Q1002-T1005 PolarHBondContact O-N 2.75Å; Q1002-T1005 PolarHBondContact O-OG1 3.36Å |
| 1003 | N | 62.2 | Low | 60.9 | Low | 75 Ų | 75 | 95 Ų | 95 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.5 | -28.5 | 177.2 | -68.3 | -69.5 | 0 | 0 | 0 | 112.6 | D999 I1000 T1005 S1006 | D999-N1003 PolarHBondContact O-N 2.89Å; D999-N1003 PolarHBondContact O-ND2 3.43Å; D999-N1003 PolarHBondContact OD1-ND2 3.28Å; I1000-N1003 PolarHBondContact O-N 3.49Å; N1003-T1005 VanDerWaalsContact C-N 3.35Å; N1003-S1006 PolarHBondContact O-N 3.05Å; N1003-S1006 PolarHBondContact O-OG 3.04Å |
| 1004 | T | 55.7 | Low | 59 | Low | 96 Ų | 96 | 96 Ų | 96 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.2 | -32.3 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | I1000 C1001 Q1002 S1006 | I1000-T1004 HydrophobicContact CG2-CG2 4.47Å; I1000-T1004 PolarHBondContact O-N 2.98Å; I1000-T1004 PolarHBondContact O-OG1 2.86Å; C1001-T1004 WeakPolarHBondContact CA-OG1 3.28Å; C1001-T1004 PolarHBondContact O-N 3.47Å; C1001-T1004 PolarHBondContact O-OG1 2.66Å; Q1002-T1004 VanDerWaalsContact C-N 3.35Å; Q1002-T1004 PolarHBondContact O-N 3.26Å; T1004-S1006 PolarHBondContact O-N 3.23Å |
| 1005 | T | 51.2 | Low | 57.1 | Low | 123 Ų | 123 | 99.9 Ų | 99.9 | 76% | 0.755 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -6 | 176.2 | 45.2 | 0 | 0 | 0 | 0 | 114.9 | C1001 Q1002 N1003 | C1001-T1005 PolarHBondContact O-N 2.87Å; C1001-T1005 PolarHBondContact O-OG1 2.92Å; Q1002-T1005 WeakPolarHBondContact CA-OG1 3.24Å; Q1002-T1005 PolarHBondContact O-N 2.75Å; Q1002-T1005 PolarHBondContact O-OG1 3.36Å; N1003-T1005 VanDerWaalsContact C-N 3.35Å |
| 1006 | S | 48 | Very low | 55.4 | Low | 75 Ų | 75 | 97.9 Ų | 97.9 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.3 | 1.5 | -179.2 | 53.2 | 0 | 0 | 0 | 0 | 115.5 | N1003 T1004 | N1003-S1006 PolarHBondContact O-N 3.05Å; N1003-S1006 PolarHBondContact O-OG 3.04Å; T1004-S1006 PolarHBondContact O-N 3.23Å |
| 1007 | N | 36.7 | Very low | 53.5 | Low | 136 Ų | 136 | 102.5 Ų | 102.5 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -109.4 | 47.2 | -174.4 | -78.8 | -20.6 | 0 | 0 | 0 | 114.5 | ||
| 1008 | D | 38.4 | Very low | 51.8 | Low | 155 Ų | 155 | 105.7 Ų | 105.7 | 83% | 0.829 | 61% | 0.608 | S | S | * | * | trans | 54.6 | 167.1 | 153.4 | -112.7 | 7.6 | 0 | 0 | 0 | 118.9 | ||||
| 1009 | P | 50.8 | Low | 50.1 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 64% | 0.643 | 62% | 0.617 | S | S | * | * | -124.6 | -176.2 | -123.5 | 35.2 | -15.8 | 0 | 0 | 0 | 115.5 | |||||
| 1010 | L | 42.4 | Very low | 48.3 | Very low | 170 Ų | 170 | 108.9 Ų | 108.9 | 89% | 0.89 | 63% | 0.627 | S | S | * | * | trans | 102.5 | 138.6 | 172.3 | -56.7 | 168.3 | 0 | 0 | 0 | 115.9 | ||||
| 1011 | S | 43 | Very low | 46.5 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 76.5 | 162.5 | 179.1 | -153.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1012 | I | 38 | Very low | 44.6 | Very low | 141 Ų | 141 | 111.1 Ų | 111.1 | 72% | 0.723 | 65% | 0.649 | S | S | * | * | trans | 60 | 54.1 | 177.4 | -34.7 | -179.4 | 0 | 0 | 0 | 115.3 | ||||
| 1013 | S | 39.8 | Very low | 43.1 | Very low | 112 Ų | 112 | 111 Ų | 111 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | trans | -107.4 | 14 | 173 | -170.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1014 | S | 41.8 | Very low | 42 | Very low | 103 Ų | 103 | 112.6 Ų | 112.6 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -121.3 | -9.6 | -162.3 | -163.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1015 | E | 41.6 | Very low | 41.1 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -116.2 | -18.8 | -173.3 | -67.1 | -171.7 | 129.1 | 0 | 0 | 114.7 | ||
| 1016 | V | 42.5 | Very low | 40.7 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 56% | 0.558 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -77.9 | -38.2 | -173.2 | -175 | 0 | 0 | 0 | 0 | 112.6 | V1018 I1019 T1020 | V1016-V1018 PolarHBondContact O-N 3.32Å; V1016-I1019 PolarHBondContact O-N 3.04Å; V1016-I1019 VanDerWaalsContact O-N 3.11Å; V1016-T1020 HydrophobicContact CG1-CG2 4.49Å; V1016-T1020 PolarHBondContact O-N 3.37Å; V1016-T1020 PolarHBondContact O-OG1 2.66Å |
| 1017 | D | 38.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.4 | -17.8 | -176.6 | -69.8 | -33.2 | 0 | 0 | 0 | 114 | T1020 S1021 | D1017-T1020 PolarHBondContact O-OG1 3.22Å; D1017-S1021 WeakPolarHBondContact O-CB 2.88Å; D1017-S1021 PolarHBondContact O-OG 3.43Å |
| 1018 | V | 41.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79 | -24.9 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | V1016 S1021 | V1016-V1018 PolarHBondContact O-N 3.32Å; V1018-S1021 PolarHBondContact O-OG 2.79Å |
| 1019 | I | 42.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -88.5 | -41.4 | -177.3 | -58.3 | 176.8 | 0 | 0 | 0 | 110.7 | V1016 S1021 S1022 | V1016-I1019 PolarHBondContact O-N 3.04Å; V1016-I1019 VanDerWaalsContact O-N 3.11Å; I1019-S1021 PolarHBondContact O-N 2.8Å; I1019-S1022 PolarHBondContact O-N 2.89Å |
| 1020 | T | 39.8 | Very low | 39.8 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 49% | 0.485 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -67.6 | -33.8 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | V1016 D1017 S1022 | V1016-T1020 HydrophobicContact CG1-CG2 4.49Å; V1016-T1020 PolarHBondContact O-N 3.37Å; V1016-T1020 PolarHBondContact O-OG1 2.66Å; D1017-T1020 PolarHBondContact O-OG1 3.22Å; T1020-S1022 VanDerWaalsContact C-N 3.31Å; T1020-S1022 PolarHBondContact O-N 3.42Å |
| 1021 | S | 36.8 | Very low | 39.6 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -72.3 | -18.1 | 178.8 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | D1017 V1018 I1019 | D1017-S1021 WeakPolarHBondContact O-CB 2.88Å; D1017-S1021 PolarHBondContact O-OG 3.43Å; V1018-S1021 PolarHBondContact O-OG 2.79Å; I1019-S1021 PolarHBondContact O-N 2.8Å |
| 1022 | S | 35.4 | Very low | 39.5 | Very low | 85 Ų | 85 | 123 Ų | 123 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -86.8 | -25.9 | 179.8 | -166 | 0 | 0 | 0 | 0 | 113.6 | I1019 T1020 | I1019-S1022 PolarHBondContact O-N 2.89Å; T1020-S1022 VanDerWaalsContact C-N 3.31Å; T1020-S1022 PolarHBondContact O-N 3.42Å |
| 1023 | L | 38.7 | Very low | 39.5 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 63% | 0.628 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -86 | -19.5 | -174.7 | -92.5 | 162.9 | 0 | 0 | 0 | 115 | T1026 | L1023-T1026 PolarHBondContact O-OG1 3Å |
| 1024 | T | 38 | Very low | 39.4 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -79.2 | -23.3 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 113 | ||
| 1025 | H | 37.4 | Very low | 39.3 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 73% | 0.731 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.3 | -16.5 | -170.2 | -123.5 | -47.2 | 0 | 0 | 0 | 115 | ||
| 1026 | T | 41.5 | Very low | 39.2 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 52% | 0.515 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -83.7 | -27.1 | -174.4 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | L1023 S1028 | L1023-T1026 PolarHBondContact O-OG1 3Å; T1026-S1028 VanDerWaalsContact C-N 3.33Å; T1026-S1028 PolarHBondContact O-N 3.29Å |
| 1027 | H | 41.3 | Very low | 39 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -5.4 | -175.5 | -86.5 | -77.1 | 0 | 0 | 0 | 115.2 | ||
| 1028 | S | 37.3 | Very low | 39 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 6.4 | -175.9 | -168.7 | 0 | 0 | 0 | 0 | 114.9 | T1026 | T1026-S1028 VanDerWaalsContact C-N 3.33Å; T1026-S1028 PolarHBondContact O-N 3.29Å |
| 1029 | Y | 34.6 | Very low | 38.8 | Very low | 205 Ų | 205 | 135.4 Ų | 135.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -129.1 | 14.2 | -168.6 | -134.6 | -91.3 | 0 | 0 | 0 | 115.6 | ||
| 1030 | I | 42.2 | Very low | 38.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -131.3 | 53.8 | -178.5 | -40.5 | -178.2 | 0 | 0 | 0 | 111.3 | ||
| 1031 | E | 39 | Very low | 38.5 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -152.4 | 33.4 | 169.7 | -142.6 | 169.9 | -130.3 | 0 | 0 | 113.9 | ||
| 1032 | T | 41.4 | Very low | 38.6 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -130.8 | -2.2 | 178.5 | 46 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1033 | H | 37.1 | Very low | 38.9 | Very low | 180 Ų | 180 | 151.6 Ų | 151.6 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -145.1 | 145.4 | 172.3 | -78.2 | -53 | 0 | 0 | 0 | 112.8 | ||||
| 1034 | V | 37.9 | Very low | 38.9 | Very low | 224 Ų | 224 | 154.5 Ų | 154.5 | 100% | 1.358 | 80% | 0.803 | S | S | * | * | trans | 76.7 | 0 | -170.7 | -169 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 1,034 of 1,034 residues in 238.6 ms
(Link to these results)